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 2ols_1_A DATA FIRST_RESID 4 DATA SEQUENCE NYVIWFENLR MTDVERVGGK NASLGEMISQ LTEKGVRVPG GFATTAEAYR DATA SEQUENCE AFLAHNGLSE RISAALAKLD VEDVAELARV GKEIRQWILD TPFPEQLDAE DATA SEQUENCE IEAAWNKMVA DAGGADISVA VRSSATAXXX XXXXFAGQQE TFLNINGLDN DATA SEQUENCE VKEAMHHVFA SLYNDRAISY RVHKGFXXDI VALSAGVQRM VRSDSGASGV DATA SEQUENCE MFTLDTESGY DQVVFVTSSY GLGENVVQGA VNPDEFYVFK PTLKAGKPAI DATA SEQUENCE LRKTMGSKHI KMIFTDKAEA GKSVTNVDVP EEDRNRFSIT DEEITELAHY DATA SEQUENCE ALTIEKHYGR PMDIEWGRDG LDGKLYILQA RPETXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXLCEG RAXXQKVGQG KVRXXXXXXX XXXXXXXDVL VTDMTDPDWE DATA SEQUENCE PVMKRASAIV TNRGGRTCHA AIIAREXXXP AVVGCGNATE LLKNGQEVTV DATA SEQUENCE SCAXXDTGFI YAGLXXXXXX XXXXXXMPKA PVKVMMNVGN PELAFSFANL DATA SEQUENCE PSEGIGLARM EFIINRQIGI HPKALLEFDK QDDELKAEIT RRIAGYASPV DATA SEQUENCE DFYVDKIAEG VATLAASVYP RKTIVRMSDF KSNEYANLVG GNVYEPHEEN DATA SEQUENCE PMLGFRGAAR YVADNFKDCF ALECKALKRV RDEMGLTNVE IMIPFVRTLG DATA SEQUENCE EAEAVVKALK ENGLERGKNG LRLIMMCELP SNAVLAEQFL QYFDGFSIGS DATA SEQUENCE NDMTQLTLGL DRDSGLVSES FDERNPAVKV MLHLAISACR KQNKYVGICG DATA SEQUENCE QGPSDHPDFA KWLVEEGIES VSLNPDTVIE TWLYLANEL 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 N HA 0.000 nan 4.740 nan 0.000 0.220 4 N C 0.000 175.666 175.510 0.261 0.000 1.280 4 N CA 0.000 53.105 53.050 0.092 0.000 0.885 4 N CB 0.000 38.490 38.487 0.006 0.000 1.341 5 Y N 0.557 120.864 120.300 0.012 0.000 2.343 5 Y HA 0.473 5.023 4.550 0.001 0.000 0.294 5 Y C 0.587 176.484 175.900 -0.005 0.000 1.122 5 Y CA 0.456 58.556 58.100 0.001 0.000 1.173 5 Y CB 0.203 38.652 38.460 -0.018 0.000 1.077 5 Y HN -0.219 nan 8.280 nan 0.000 0.542 6 V N 2.439 122.442 119.914 0.148 0.000 2.495 6 V HA 0.373 4.494 4.120 0.001 0.000 0.298 6 V C -0.340 175.777 176.094 0.039 0.000 1.031 6 V CA -0.846 61.473 62.300 0.032 0.000 0.871 6 V CB 2.155 33.894 31.823 -0.140 0.000 0.988 6 V HN -0.080 nan 8.190 nan 0.000 0.432 7 I N 2.898 123.490 120.570 0.037 0.000 2.498 7 I HA 0.391 4.561 4.170 0.001 0.000 0.290 7 I C -0.922 175.201 176.117 0.010 0.000 1.032 7 I CA -0.551 60.806 61.300 0.095 0.000 1.073 7 I CB 2.078 40.158 38.000 0.134 0.000 1.251 7 I HN 0.566 nan 8.210 nan 0.000 0.426 8 W N 4.481 125.796 121.300 0.024 0.000 2.216 8 W HA 0.217 4.877 4.660 0.001 0.000 0.326 8 W C 0.958 177.517 176.519 0.066 0.000 1.319 8 W CA -0.126 57.210 57.345 -0.015 0.000 1.213 8 W CB -0.005 29.459 29.460 0.006 0.000 1.171 8 W HN 0.384 nan 8.180 nan 0.000 0.557 9 F N 1.462 121.576 119.950 0.275 0.000 2.087 9 F HA -0.322 4.206 4.527 0.001 0.000 0.299 9 F C 2.453 178.364 175.800 0.185 0.000 1.100 9 F CA 2.022 60.130 58.000 0.180 0.000 1.226 9 F CB -1.253 37.827 39.000 0.132 0.000 0.983 9 F HN 0.490 nan 8.300 nan 0.000 0.479 10 E N -0.183 120.260 120.200 0.405 0.000 2.331 10 E HA -0.223 4.128 4.350 0.001 0.000 0.199 10 E C 0.806 177.520 176.600 0.191 0.000 1.008 10 E CA 1.452 58.000 56.400 0.247 0.000 0.843 10 E CB -0.617 29.194 29.700 0.186 0.000 0.761 10 E HN 0.398 nan 8.360 nan 0.000 0.507 11 N N 0.502 119.339 118.700 0.227 0.000 2.270 11 N HA 0.207 4.948 4.740 0.001 0.000 0.198 11 N C -0.146 175.464 175.510 0.166 0.000 1.117 11 N CA 0.166 53.318 53.050 0.171 0.000 0.845 11 N CB 0.592 39.181 38.487 0.171 0.000 0.980 11 N HN 0.189 nan 8.380 nan 0.000 0.486 12 L N 0.565 121.905 121.223 0.195 0.000 2.352 12 L HA 0.517 4.857 4.340 0.001 0.000 0.269 12 L C 0.428 177.379 176.870 0.134 0.000 1.034 12 L CA -0.721 54.222 54.840 0.172 0.000 0.806 12 L CB 1.227 43.417 42.059 0.220 0.000 1.244 12 L HN -0.166 nan 8.230 nan 0.000 0.447 13 R N 0.832 121.400 120.500 0.113 0.000 2.846 13 R HA 0.335 4.676 4.340 0.001 0.000 0.263 13 R C 0.165 176.527 176.300 0.103 0.000 1.080 13 R CA -0.951 55.207 56.100 0.097 0.000 0.961 13 R CB 0.986 31.333 30.300 0.079 0.000 1.231 13 R HN 0.495 nan 8.270 nan 0.000 0.465 14 M N 1.142 120.808 119.600 0.110 0.000 2.476 14 M HA -0.067 4.414 4.480 0.001 0.000 0.262 14 M C 1.411 177.766 176.300 0.092 0.000 1.079 14 M CA 1.653 57.029 55.300 0.127 0.000 1.104 14 M CB -0.271 32.433 32.600 0.173 0.000 1.409 14 M HN 0.734 nan 8.290 nan 0.000 0.467 15 T N -3.352 111.247 114.554 0.075 0.000 3.163 15 T HA -0.006 4.345 4.350 0.001 0.000 0.260 15 T C 0.747 175.482 174.700 0.059 0.000 1.156 15 T CA 0.772 62.908 62.100 0.059 0.000 1.072 15 T CB -0.460 68.438 68.868 0.049 0.000 0.937 15 T HN 0.280 nan 8.240 nan 0.000 0.528 16 D N 0.851 121.293 120.400 0.070 0.000 2.358 16 D HA 0.213 4.853 4.640 0.001 0.000 0.224 16 D C 1.683 178.020 176.300 0.062 0.000 1.123 16 D CA -0.071 53.971 54.000 0.069 0.000 0.833 16 D CB 0.581 41.433 40.800 0.087 0.000 0.946 16 D HN 0.276 nan 8.370 nan 0.000 0.505 17 V N 1.063 121.010 119.914 0.055 0.000 2.568 17 V HA -0.192 3.929 4.120 0.001 0.000 0.253 17 V C 2.199 178.309 176.094 0.026 0.000 1.072 17 V CA 1.449 63.775 62.300 0.043 0.000 1.084 17 V CB -0.135 31.714 31.823 0.043 0.000 0.676 17 V HN 0.195 nan 8.190 nan 0.000 0.469 18 E N -0.433 119.781 120.200 0.023 0.000 2.371 18 E HA -0.050 4.300 4.350 0.001 0.000 0.194 18 E C 2.271 178.875 176.600 0.007 0.000 1.012 18 E CA 0.426 56.830 56.400 0.008 0.000 0.860 18 E CB 0.093 29.798 29.700 0.009 0.000 0.811 18 E HN 0.535 nan 8.360 nan 0.000 0.502 19 R N 0.283 120.798 120.500 0.025 0.000 2.105 19 R HA -0.005 4.336 4.340 0.001 0.000 0.214 19 R C 2.095 178.414 176.300 0.033 0.000 1.091 19 R CA 0.974 57.094 56.100 0.034 0.000 1.007 19 R CB 0.512 30.844 30.300 0.054 0.000 0.912 19 R HN 0.094 nan 8.270 nan 0.000 0.450 20 V N -3.436 116.505 119.914 0.045 0.000 3.432 20 V HA 0.492 4.612 4.120 0.001 0.000 0.298 20 V C 0.403 176.518 176.094 0.035 0.000 1.464 20 V CA 0.094 62.427 62.300 0.056 0.000 1.046 20 V CB 0.272 32.160 31.823 0.107 0.000 0.887 20 V HN 0.375 nan 8.190 nan 0.000 0.441 21 G N 0.156 108.966 108.800 0.016 0.000 2.814 21 G HA2 0.094 4.055 3.960 0.001 0.000 0.677 21 G HA3 0.094 4.055 3.960 0.001 0.000 0.677 21 G C 0.697 175.610 174.900 0.021 0.000 1.429 21 G CA -0.229 44.876 45.100 0.008 0.000 0.868 21 G HN 1.183 nan 8.290 nan 0.000 0.553 22 G N -0.174 108.637 108.800 0.018 0.000 2.422 22 G HA2 -0.106 3.854 3.960 0.001 0.000 0.218 22 G HA3 -0.106 3.854 3.960 0.001 0.000 0.218 22 G C 1.631 176.529 174.900 -0.004 0.000 1.146 22 G CA 1.749 46.859 45.100 0.017 0.000 0.769 22 G HN 0.845 nan 8.290 nan 0.000 0.547 23 K N 0.291 120.679 120.400 -0.019 0.000 2.026 23 K HA -0.050 4.270 4.320 0.001 0.000 0.208 23 K C 2.407 178.958 176.600 -0.081 0.000 1.048 23 K CA 1.311 57.566 56.287 -0.054 0.000 0.929 23 K CB -0.083 32.383 32.500 -0.056 0.000 0.713 23 K HN 0.128 nan 8.250 nan 0.000 0.439 24 N N 0.560 119.236 118.700 -0.039 0.000 2.216 24 N HA -0.086 4.654 4.740 0.001 0.000 0.183 24 N C 1.659 177.167 175.510 -0.003 0.000 1.017 24 N CA 1.239 54.267 53.050 -0.036 0.000 0.861 24 N CB -0.317 38.257 38.487 0.145 0.000 0.986 24 N HN 0.172 nan 8.380 nan 0.000 0.428 25 A N 0.346 123.193 122.820 0.045 0.000 1.908 25 A HA -0.145 4.175 4.320 0.001 0.000 0.218 25 A C 2.466 180.099 177.584 0.083 0.000 1.181 25 A CA 2.026 54.110 52.037 0.078 0.000 0.627 25 A CB -0.932 18.116 19.000 0.080 0.000 0.818 25 A HN 0.323 nan 8.150 nan 0.000 0.445 26 S N -1.018 114.719 115.700 0.062 0.000 2.382 26 S HA -0.107 4.363 4.470 0.001 0.000 0.228 26 S C 1.874 176.509 174.600 0.059 0.000 1.027 26 S CA 1.402 59.672 58.200 0.116 0.000 0.991 26 S CB -0.414 62.793 63.200 0.012 0.000 0.823 26 S HN 0.301 nan 8.310 nan 0.000 0.469 27 L N 1.653 122.818 121.223 -0.097 0.000 2.012 27 L HA 0.057 4.397 4.340 0.001 0.000 0.210 27 L C 2.657 179.456 176.870 -0.118 0.000 1.073 27 L CA 2.072 56.773 54.840 -0.232 0.000 0.748 27 L CB -1.530 40.131 42.059 -0.663 0.000 0.891 27 L HN 0.447 nan 8.230 nan 0.000 0.431 28 G N -1.602 107.184 108.800 -0.023 0.000 2.402 28 G HA2 -0.309 3.652 3.960 0.001 0.000 0.216 28 G HA3 -0.309 3.652 3.960 0.001 0.000 0.216 28 G C 1.549 176.494 174.900 0.074 0.000 1.162 28 G CA 0.846 46.009 45.100 0.105 0.000 0.777 28 G HN 0.389 nan 8.290 nan 0.000 0.539 29 E N 0.275 120.519 120.200 0.075 0.000 2.085 29 E HA -0.086 4.265 4.350 0.001 0.000 0.194 29 E C 2.543 179.108 176.600 -0.059 0.000 0.994 29 E CA 1.174 57.602 56.400 0.046 0.000 0.801 29 E CB -0.264 29.513 29.700 0.128 0.000 0.743 29 E HN 0.474 nan 8.360 nan 0.000 0.453 30 M N -0.642 118.949 119.600 -0.015 0.000 2.193 30 M HA -0.020 4.460 4.480 0.001 0.000 0.265 30 M C 2.222 178.483 176.300 -0.065 0.000 1.071 30 M CA 0.987 56.245 55.300 -0.071 0.000 1.140 30 M CB -0.170 32.431 32.600 0.003 0.000 1.369 30 M HN 0.150 nan 8.290 nan 0.000 0.423 31 I N 0.200 120.764 120.570 -0.011 0.000 2.179 31 I HA -0.285 3.885 4.170 0.001 0.000 0.242 31 I C 2.719 178.843 176.117 0.012 0.000 1.088 31 I CA 1.750 63.065 61.300 0.024 0.000 1.357 31 I CB -0.390 37.671 38.000 0.101 0.000 1.051 31 I HN 0.357 nan 8.210 nan 0.000 0.409 32 S N -0.104 115.605 115.700 0.016 0.000 2.406 32 S HA -0.128 4.342 4.470 0.001 0.000 0.228 32 S C 1.850 176.430 174.600 -0.032 0.000 1.020 32 S CA 0.691 58.898 58.200 0.011 0.000 0.965 32 S CB -0.054 63.168 63.200 0.037 0.000 0.798 32 S HN 0.402 nan 8.310 nan 0.000 0.488 33 Q N 0.363 120.104 119.800 -0.098 0.000 2.423 33 Q HA 0.422 4.762 4.340 0.001 0.000 0.231 33 Q C 1.901 177.793 176.000 -0.181 0.000 0.894 33 Q CA 0.499 56.209 55.803 -0.155 0.000 0.938 33 Q CB -0.034 28.535 28.738 -0.281 0.000 1.079 33 Q HN 0.535 nan 8.270 nan 0.000 0.552 34 L N 0.778 121.885 121.223 -0.192 0.000 2.638 34 L HA 0.121 4.462 4.340 0.001 0.000 0.232 34 L C 2.253 179.070 176.870 -0.088 0.000 1.099 34 L CA 0.752 55.500 54.840 -0.154 0.000 0.883 34 L CB -0.103 41.848 42.059 -0.180 0.000 1.136 34 L HN 0.160 nan 8.230 nan 0.000 0.492 35 T N -0.776 113.736 114.554 -0.070 0.000 2.759 35 T HA -0.248 4.103 4.350 0.001 0.000 0.269 35 T C 1.598 176.273 174.700 -0.042 0.000 1.042 35 T CA 1.777 63.845 62.100 -0.054 0.000 1.140 35 T CB -0.227 68.624 68.868 -0.029 0.000 0.864 35 T HN 0.620 nan 8.240 nan 0.000 0.455 36 E N 0.997 121.175 120.200 -0.036 0.000 2.204 36 E HA -0.120 4.230 4.350 0.001 0.000 0.195 36 E C 1.933 178.520 176.600 -0.022 0.000 0.990 36 E CA 0.839 57.223 56.400 -0.026 0.000 0.821 36 E CB -0.321 29.366 29.700 -0.023 0.000 0.750 36 E HN 0.457 nan 8.360 nan 0.000 0.477 37 K N 0.245 120.630 120.400 -0.025 0.000 2.546 37 K HA 0.081 4.401 4.320 0.001 0.000 0.198 37 K C 0.680 177.295 176.600 0.023 0.000 1.028 37 K CA 0.488 56.772 56.287 -0.005 0.000 1.150 37 K CB 0.441 32.938 32.500 -0.005 0.000 0.876 37 K HN 0.441 nan 8.250 nan 0.000 0.508 38 G N 0.654 109.458 108.800 0.006 0.000 2.195 38 G HA2 -0.233 3.728 3.960 0.001 0.000 0.246 38 G HA3 -0.233 3.728 3.960 0.001 0.000 0.246 38 G C 0.208 175.064 174.900 -0.073 0.000 0.984 38 G CA -0.143 44.978 45.100 0.035 0.000 0.633 38 G HN 0.143 nan 8.290 nan 0.000 0.525 39 V N 1.523 121.351 119.914 -0.143 0.000 2.555 39 V HA 0.450 4.570 4.120 0.001 0.000 0.286 39 V C 0.969 176.901 176.094 -0.270 0.000 1.044 39 V CA -0.017 62.086 62.300 -0.329 0.000 1.026 39 V CB 1.326 33.043 31.823 -0.176 0.000 0.981 39 V HN 0.339 nan 8.190 nan 0.000 0.480 40 R N 3.199 123.478 120.500 -0.368 0.000 2.288 40 R HA 0.596 4.937 4.340 0.001 0.000 0.326 40 R C -1.021 175.254 176.300 -0.042 0.000 0.959 40 R CA -0.323 55.634 56.100 -0.238 0.000 0.834 40 R CB 1.775 31.762 30.300 -0.521 0.000 1.157 40 R HN 0.591 nan 8.270 nan 0.000 0.470 41 V N 4.801 124.749 119.914 0.056 0.000 2.540 41 V HA 0.598 4.718 4.120 0.001 0.000 0.302 41 V C -2.512 173.682 176.094 0.167 0.000 1.035 41 V CA -2.484 59.880 62.300 0.106 0.000 0.873 41 V CB 2.047 33.881 31.823 0.019 0.000 0.992 41 V HN 0.569 nan 8.190 nan 0.000 0.428 42 P HA 0.356 nan 4.420 nan 0.000 0.271 42 P C 0.275 177.696 177.300 0.203 0.000 1.216 42 P CA 0.342 63.522 63.100 0.134 0.000 0.776 42 P CB 0.674 32.395 31.700 0.035 0.000 0.881 43 G N 0.540 109.483 108.800 0.238 0.000 2.621 43 G HA2 0.583 4.544 3.960 0.001 0.000 0.271 43 G HA3 0.583 4.544 3.960 0.001 0.000 0.271 43 G C 0.002 175.108 174.900 0.343 0.000 1.236 43 G CA -0.019 45.297 45.100 0.359 0.000 0.958 43 G HN 0.791 nan 8.290 nan 0.000 0.512 44 G N -1.658 107.245 108.800 0.171 0.000 2.368 44 G HA2 0.551 4.512 3.960 0.001 0.000 0.269 44 G HA3 0.551 4.512 3.960 0.001 0.000 0.269 44 G C -1.213 172.914 174.900 -1.288 0.000 1.291 44 G CA -0.131 44.696 45.100 -0.455 0.000 0.903 44 G HN 1.606 nan 8.290 nan 0.000 0.483 45 F N -1.473 117.540 119.950 -1.562 0.000 2.645 45 F HA 0.936 5.463 4.527 0.001 0.000 0.310 45 F C -0.219 175.102 175.800 -0.798 0.000 1.102 45 F CA -1.082 56.102 58.000 -1.361 0.000 0.952 45 F CB 1.526 39.792 39.000 -1.223 0.000 1.326 45 F HN 1.284 nan 8.300 nan 0.000 0.456 46 A N 1.178 123.873 122.820 -0.209 0.000 2.350 46 A HA 0.762 5.083 4.320 0.001 0.000 0.324 46 A C -0.199 177.458 177.584 0.121 0.000 1.118 46 A CA -0.327 51.738 52.037 0.047 0.000 0.783 46 A CB 0.956 20.069 19.000 0.189 0.000 1.236 46 A HN 1.138 nan 8.150 nan 0.000 0.457 47 T N -0.395 114.237 114.554 0.130 0.000 2.882 47 T HA 0.606 4.956 4.350 0.001 0.000 0.287 47 T C 0.470 175.212 174.700 0.071 0.000 1.014 47 T CA 0.263 62.427 62.100 0.107 0.000 1.049 47 T CB 0.907 69.851 68.868 0.126 0.000 1.001 47 T HN 1.216 nan 8.240 nan 0.000 0.525 48 T N -1.710 112.869 114.554 0.041 0.000 2.952 48 T HA 0.666 5.017 4.350 0.001 0.000 0.286 48 T C 1.634 176.325 174.700 -0.014 0.000 1.024 48 T CA -0.532 61.589 62.100 0.034 0.000 1.029 48 T CB 1.144 70.059 68.868 0.078 0.000 1.094 48 T HN 0.831 nan 8.240 nan 0.000 0.515 49 A N 0.722 123.536 122.820 -0.011 0.000 1.940 49 A HA -0.107 4.213 4.320 0.001 0.000 0.219 49 A C 2.155 179.742 177.584 0.004 0.000 1.176 49 A CA 1.915 53.937 52.037 -0.026 0.000 0.631 49 A CB -1.114 17.871 19.000 -0.025 0.000 0.814 49 A HN 1.040 nan 8.150 nan 0.000 0.446 50 E N -0.179 120.031 120.200 0.016 0.000 2.208 50 E HA 0.122 4.472 4.350 0.001 0.000 0.193 50 E C 1.882 178.398 176.600 -0.140 0.000 0.988 50 E CA 0.903 57.316 56.400 0.022 0.000 0.828 50 E CB -0.433 29.333 29.700 0.110 0.000 0.763 50 E HN 0.442 nan 8.360 nan 0.000 0.478 51 A N 1.025 123.662 122.820 -0.306 0.000 1.883 51 A HA -0.222 4.098 4.320 0.001 0.000 0.217 51 A C 2.098 179.456 177.584 -0.377 0.000 1.186 51 A CA 1.570 53.184 52.037 -0.705 0.000 0.624 51 A CB -1.075 17.638 19.000 -0.478 0.000 0.822 51 A HN 0.512 nan 8.150 nan 0.000 0.444 52 Y N 0.298 120.390 120.300 -0.347 0.000 2.181 52 Y HA -0.183 4.368 4.550 0.001 0.000 0.288 52 Y C 2.621 178.470 175.900 -0.084 0.000 1.146 52 Y CA 1.899 59.795 58.100 -0.340 0.000 1.164 52 Y CB -0.055 38.143 38.460 -0.437 0.000 0.982 52 Y HN 0.185 nan 8.280 nan 0.000 0.515 53 R N -0.101 120.447 120.500 0.079 0.000 2.096 53 R HA -0.142 4.199 4.340 0.001 0.000 0.235 53 R C 2.402 178.706 176.300 0.008 0.000 1.127 53 R CA 1.126 57.267 56.100 0.069 0.000 0.968 53 R CB -0.932 29.409 30.300 0.069 0.000 0.861 53 R HN 0.451 nan 8.270 nan 0.000 0.440 54 A N 1.042 123.843 122.820 -0.031 0.000 1.873 54 A HA -0.174 4.147 4.320 0.001 0.000 0.215 54 A C 2.012 179.608 177.584 0.019 0.000 1.186 54 A CA 1.065 53.102 52.037 0.000 0.000 0.616 54 A CB -0.732 18.253 19.000 -0.025 0.000 0.823 54 A HN 0.327 nan 8.150 nan 0.000 0.442 55 F N 0.189 120.035 119.950 -0.175 0.000 2.091 55 F HA -0.199 4.329 4.527 0.001 0.000 0.299 55 F C 1.743 177.492 175.800 -0.085 0.000 1.103 55 F CA 2.047 59.972 58.000 -0.124 0.000 1.228 55 F CB -0.331 38.553 39.000 -0.193 0.000 0.984 55 F HN 0.170 nan 8.300 nan 0.000 0.477 56 L N 0.246 121.312 121.223 -0.262 0.000 2.395 56 L HA 0.182 4.523 4.340 0.001 0.000 0.218 56 L C 2.350 179.125 176.870 -0.158 0.000 1.130 56 L CA 1.269 55.929 54.840 -0.300 0.000 0.826 56 L CB -0.982 41.000 42.059 -0.128 0.000 0.941 56 L HN 0.224 nan 8.230 nan 0.000 0.451 57 A N -1.754 121.014 122.820 -0.086 0.000 2.121 57 A HA -0.218 4.103 4.320 0.001 0.000 0.218 57 A C 0.900 178.448 177.584 -0.061 0.000 1.154 57 A CA 0.300 52.308 52.037 -0.049 0.000 0.679 57 A CB -1.119 17.874 19.000 -0.011 0.000 0.795 57 A HN 0.563 nan 8.150 nan 0.000 0.458 58 H N 1.220 120.182 119.070 -0.182 0.000 3.248 58 H HA 0.068 4.625 4.556 0.001 0.000 0.258 58 H C 0.148 175.383 175.328 -0.155 0.000 0.923 58 H CA 0.912 56.862 56.048 -0.164 0.000 1.416 58 H CB -0.551 29.076 29.762 -0.225 0.000 1.523 58 H HN 0.394 nan 8.280 nan 0.000 0.528 59 N N 2.424 120.845 118.700 -0.465 0.000 2.776 59 N HA -0.140 4.600 4.740 0.001 0.000 0.249 59 N C -0.171 175.181 175.510 -0.263 0.000 1.111 59 N CA 1.215 54.015 53.050 -0.417 0.000 0.711 59 N CB -1.253 36.874 38.487 -0.600 0.000 1.065 59 N HN 0.792 nan 8.380 nan 0.000 0.556 60 G N 0.254 108.935 108.800 -0.198 0.000 2.607 60 G HA2 0.417 4.378 3.960 0.001 0.000 0.332 60 G HA3 0.417 4.378 3.960 0.001 0.000 0.332 60 G C 1.211 176.014 174.900 -0.163 0.000 1.046 60 G CA -0.509 44.494 45.100 -0.162 0.000 1.099 60 G HN 0.212 nan 8.290 nan 0.000 0.451 61 L N 3.284 124.400 121.223 -0.178 0.000 2.064 61 L HA -0.197 4.143 4.340 0.001 0.000 0.216 61 L C 2.759 179.558 176.870 -0.118 0.000 1.077 61 L CA 2.700 57.429 54.840 -0.184 0.000 0.766 61 L CB -0.532 41.434 42.059 -0.153 0.000 0.890 61 L HN 0.475 nan 8.230 nan 0.000 0.435 62 S N -0.836 114.815 115.700 -0.082 0.000 2.374 62 S HA -0.198 4.272 4.470 0.001 0.000 0.227 62 S C 1.804 176.393 174.600 -0.018 0.000 1.037 62 S CA 1.576 59.760 58.200 -0.027 0.000 1.024 62 S CB -0.374 62.825 63.200 -0.003 0.000 0.861 62 S HN 0.756 nan 8.310 nan 0.000 0.456 63 E N 0.930 121.104 120.200 -0.043 0.000 2.230 63 E HA -0.056 4.295 4.350 0.001 0.000 0.192 63 E C 2.121 178.694 176.600 -0.045 0.000 0.987 63 E CA 0.392 56.773 56.400 -0.032 0.000 0.841 63 E CB -0.497 29.181 29.700 -0.038 0.000 0.783 63 E HN 0.580 nan 8.360 nan 0.000 0.481 64 R N 1.218 121.658 120.500 -0.101 0.000 2.073 64 R HA -0.046 4.295 4.340 0.001 0.000 0.234 64 R C 2.437 178.749 176.300 0.019 0.000 1.134 64 R CA 1.103 57.122 56.100 -0.135 0.000 0.952 64 R CB -0.270 29.796 30.300 -0.390 0.000 0.850 64 R HN 0.106 nan 8.270 nan 0.000 0.433 65 I N 0.383 120.993 120.570 0.067 0.000 2.099 65 I HA -0.338 3.833 4.170 0.001 0.000 0.239 65 I C 2.596 178.760 176.117 0.079 0.000 1.066 65 I CA 1.764 63.140 61.300 0.127 0.000 1.324 65 I CB -0.568 37.404 38.000 -0.046 0.000 1.037 65 I HN 0.347 nan 8.210 nan 0.000 0.401 66 S N 0.960 116.692 115.700 0.053 0.000 2.392 66 S HA -0.274 4.197 4.470 0.001 0.000 0.232 66 S C 2.135 176.771 174.600 0.061 0.000 1.041 66 S CA 1.599 59.838 58.200 0.064 0.000 1.026 66 S CB -0.342 62.889 63.200 0.053 0.000 0.845 66 S HN 0.464 nan 8.310 nan 0.000 0.465 67 A N 1.342 124.192 122.820 0.051 0.000 1.898 67 A HA 0.345 4.666 4.320 0.001 0.000 0.216 67 A C 2.569 180.196 177.584 0.071 0.000 1.181 67 A CA 1.745 53.811 52.037 0.049 0.000 0.620 67 A CB -1.482 17.534 19.000 0.027 0.000 0.819 67 A HN 0.899 nan 8.150 nan 0.000 0.442 68 A N -0.527 122.357 122.820 0.106 0.000 1.855 68 A HA 0.019 4.339 4.320 0.001 0.000 0.215 68 A C 1.969 179.603 177.584 0.085 0.000 1.191 68 A CA 1.647 53.754 52.037 0.117 0.000 0.613 68 A CB -0.640 18.469 19.000 0.180 0.000 0.829 68 A HN 0.377 nan 8.150 nan 0.000 0.442 69 L N -0.140 121.135 121.223 0.087 0.000 2.127 69 L HA -0.162 4.178 4.340 0.001 0.000 0.211 69 L C 2.908 179.824 176.870 0.076 0.000 1.089 69 L CA 1.644 56.536 54.840 0.086 0.000 0.757 69 L CB -1.242 40.884 42.059 0.112 0.000 0.899 69 L HN 0.437 nan 8.230 nan 0.000 0.434 70 A N 0.576 123.439 122.820 0.071 0.000 1.837 70 A HA -0.233 4.087 4.320 0.001 0.000 0.216 70 A C 1.328 178.945 177.584 0.054 0.000 1.210 70 A CA 1.814 53.887 52.037 0.060 0.000 0.632 70 A CB -0.805 18.226 19.000 0.052 0.000 0.843 70 A HN 0.518 nan 8.150 nan 0.000 0.448 71 K N 0.412 120.842 120.400 0.051 0.000 2.111 71 K HA 0.565 4.885 4.320 0.001 0.000 0.249 71 K C -0.773 175.855 176.600 0.047 0.000 1.157 71 K CA -0.022 56.293 56.287 0.046 0.000 1.048 71 K CB 0.237 32.762 32.500 0.042 0.000 1.498 71 K HN 0.312 nan 8.250 nan 0.000 0.344 72 L N 2.123 123.375 121.223 0.047 0.000 2.676 72 L HA 0.262 4.603 4.340 0.001 0.000 0.262 72 L C -1.884 175.012 176.870 0.044 0.000 0.932 72 L CA -0.376 54.490 54.840 0.044 0.000 0.932 72 L CB 2.124 44.210 42.059 0.045 0.000 1.355 72 L HN 0.569 nan 8.230 nan 0.000 0.421 73 D N 3.850 124.275 120.400 0.042 0.000 2.352 73 D HA 0.053 4.694 4.640 0.001 0.000 0.245 73 D C 0.904 177.229 176.300 0.043 0.000 1.224 73 D CA 0.149 54.177 54.000 0.046 0.000 0.879 73 D CB 1.804 42.631 40.800 0.045 0.000 1.057 73 D HN 0.481 nan 8.370 nan 0.000 0.491 74 V N 3.968 123.907 119.914 0.042 0.000 2.913 74 V HA -0.144 3.977 4.120 0.001 0.000 0.260 74 V C 1.453 177.576 176.094 0.048 0.000 1.098 74 V CA 1.487 63.802 62.300 0.025 0.000 1.121 74 V CB -0.140 31.669 31.823 -0.024 0.000 0.714 74 V HN 0.420 nan 8.190 nan 0.000 0.487 75 E N 0.176 120.421 120.200 0.074 0.000 2.437 75 E HA 0.092 4.442 4.350 0.001 0.000 0.195 75 E C -0.150 176.479 176.600 0.049 0.000 1.029 75 E CA -0.095 56.354 56.400 0.082 0.000 0.948 75 E CB 0.121 29.881 29.700 0.099 0.000 1.082 75 E HN 0.573 nan 8.360 nan 0.000 0.456 76 D N 0.001 120.425 120.400 0.041 0.000 2.441 76 D HA -0.001 4.640 4.640 0.001 0.000 0.231 76 D C 0.614 176.929 176.300 0.025 0.000 1.073 76 D CA -0.401 53.618 54.000 0.030 0.000 0.850 76 D CB 1.657 42.475 40.800 0.030 0.000 1.062 76 D HN -0.001 nan 8.370 nan 0.000 0.524 77 V N 4.203 124.130 119.914 0.022 0.000 2.951 77 V HA 0.074 4.195 4.120 0.001 0.000 0.255 77 V C 1.837 177.939 176.094 0.014 0.000 1.088 77 V CA 1.849 64.161 62.300 0.020 0.000 1.109 77 V CB -0.204 31.630 31.823 0.018 0.000 0.724 77 V HN 0.623 nan 8.190 nan 0.000 0.471 78 A N -0.001 122.826 122.820 0.012 0.000 1.835 78 A HA -0.204 4.116 4.320 0.001 0.000 0.215 78 A C 2.088 179.676 177.584 0.007 0.000 1.199 78 A CA 1.904 53.946 52.037 0.008 0.000 0.615 78 A CB -0.877 18.128 19.000 0.009 0.000 0.838 78 A HN 0.530 nan 8.150 nan 0.000 0.444 79 E N -0.423 119.784 120.200 0.011 0.000 2.171 79 E HA -0.188 4.163 4.350 0.001 0.000 0.197 79 E C 1.827 178.430 176.600 0.006 0.000 0.997 79 E CA 1.349 57.755 56.400 0.010 0.000 0.810 79 E CB -0.420 29.291 29.700 0.018 0.000 0.738 79 E HN 0.554 nan 8.360 nan 0.000 0.467 80 L N -0.582 120.647 121.223 0.010 0.000 2.095 80 L HA 0.112 4.453 4.340 0.001 0.000 0.204 80 L C 2.081 178.952 176.870 0.003 0.000 1.080 80 L CA 1.976 56.823 54.840 0.011 0.000 0.759 80 L CB -0.689 41.380 42.059 0.017 0.000 0.914 80 L HN 0.049 nan 8.230 nan 0.000 0.439 81 A N -0.000 122.820 122.820 0.001 0.000 1.933 81 A HA -0.224 4.097 4.320 0.001 0.000 0.218 81 A C 2.563 180.133 177.584 -0.024 0.000 1.175 81 A CA 1.821 53.854 52.037 -0.006 0.000 0.628 81 A CB -0.679 18.320 19.000 -0.002 0.000 0.814 81 A HN 0.542 nan 8.150 nan 0.000 0.444 82 R N -0.513 119.972 120.500 -0.025 0.000 2.062 82 R HA -0.070 4.270 4.340 0.001 0.000 0.231 82 R C 2.016 178.269 176.300 -0.078 0.000 1.136 82 R CA 1.738 57.813 56.100 -0.042 0.000 0.948 82 R CB -0.416 29.869 30.300 -0.025 0.000 0.845 82 R HN 0.299 nan 8.270 nan 0.000 0.430 83 V N 0.464 120.339 119.914 -0.065 0.000 2.343 83 V HA -0.167 3.954 4.120 0.001 0.000 0.247 83 V C 2.412 178.416 176.094 -0.149 0.000 1.051 83 V CA 2.075 64.313 62.300 -0.102 0.000 1.036 83 V CB -0.896 30.904 31.823 -0.038 0.000 0.654 83 V HN 0.680 nan 8.190 nan 0.000 0.451 84 G N -0.481 108.274 108.800 -0.075 0.000 2.446 84 G HA2 -0.354 3.606 3.960 0.001 0.000 0.217 84 G HA3 -0.354 3.606 3.960 0.001 0.000 0.217 84 G C 1.645 176.485 174.900 -0.098 0.000 1.168 84 G CA 1.228 46.301 45.100 -0.045 0.000 0.771 84 G HN 0.497 nan 8.290 nan 0.000 0.551 85 K N 0.366 120.700 120.400 -0.110 0.000 2.097 85 K HA -0.086 4.235 4.320 0.001 0.000 0.206 85 K C 2.323 178.774 176.600 -0.247 0.000 1.049 85 K CA 1.496 57.710 56.287 -0.123 0.000 0.933 85 K CB -0.170 32.278 32.500 -0.087 0.000 0.717 85 K HN 0.474 nan 8.250 nan 0.000 0.442 86 E N 0.575 120.549 120.200 -0.376 0.000 2.047 86 E HA -0.174 4.176 4.350 0.001 0.000 0.191 86 E C 2.027 177.874 176.600 -1.256 0.000 0.987 86 E CA 1.190 57.166 56.400 -0.707 0.000 0.799 86 E CB -0.044 29.274 29.700 -0.637 0.000 0.752 86 E HN 0.328 nan 8.360 nan 0.000 0.449 87 I N 0.573 120.570 120.570 -0.955 0.000 2.127 87 I HA -0.298 3.872 4.170 0.001 0.000 0.241 87 I C 2.750 178.702 176.117 -0.275 0.000 1.075 87 I CA 1.191 62.096 61.300 -0.659 0.000 1.334 87 I CB -0.279 37.530 38.000 -0.317 0.000 1.040 87 I HN 0.083 nan 8.210 nan 0.000 0.405 88 R N 0.058 120.462 120.500 -0.160 0.000 2.127 88 R HA -0.235 4.105 4.340 0.001 0.000 0.238 88 R C 2.268 178.556 176.300 -0.019 0.000 1.134 88 R CA 1.308 57.406 56.100 -0.004 0.000 0.975 88 R CB -0.206 30.110 30.300 0.026 0.000 0.865 88 R HN 0.292 nan 8.270 nan 0.000 0.447 89 Q N -0.628 119.092 119.800 -0.133 0.000 2.245 89 Q HA -0.116 4.225 4.340 0.001 0.000 0.201 89 Q C 1.351 177.408 176.000 0.096 0.000 0.955 89 Q CA 1.169 56.938 55.803 -0.058 0.000 0.870 89 Q CB 0.037 28.713 28.738 -0.103 0.000 0.945 89 Q HN 0.298 nan 8.270 nan 0.000 0.461 90 W N 0.144 121.450 121.300 0.009 0.000 2.381 90 W HA -0.013 4.647 4.660 0.001 0.000 0.301 90 W C 1.850 178.386 176.519 0.029 0.000 1.205 90 W CA 0.412 57.756 57.345 -0.001 0.000 1.285 90 W CB -0.947 28.496 29.460 -0.028 0.000 1.133 90 W HN 0.175 nan 8.180 nan 0.000 0.521 91 I N -0.247 120.511 120.570 0.313 0.000 2.226 91 I HA -0.304 3.866 4.170 0.001 0.000 0.245 91 I C 2.277 178.636 176.117 0.403 0.000 1.100 91 I CA 0.943 62.464 61.300 0.367 0.000 1.374 91 I CB -0.746 37.504 38.000 0.416 0.000 1.057 91 I HN -0.140 nan 8.210 nan 0.000 0.413 92 L N 0.391 121.740 121.223 0.211 0.000 2.083 92 L HA -0.210 4.131 4.340 0.001 0.000 0.209 92 L C 1.606 178.468 176.870 -0.013 0.000 1.083 92 L CA 1.866 56.736 54.840 0.051 0.000 0.752 92 L CB -0.927 41.076 42.059 -0.093 0.000 0.899 92 L HN 0.236 nan 8.230 nan 0.000 0.433 93 D N -1.491 118.943 120.400 0.057 0.000 2.328 93 D HA 0.029 4.669 4.640 0.001 0.000 0.226 93 D C 0.300 176.620 176.300 0.033 0.000 1.066 93 D CA 0.234 54.244 54.000 0.017 0.000 0.861 93 D CB 0.045 40.883 40.800 0.064 0.000 0.912 93 D HN 0.206 nan 8.370 nan 0.000 0.521 94 T N 3.145 117.761 114.554 0.103 0.000 2.767 94 T HA 0.327 4.678 4.350 0.001 0.000 0.288 94 T C -2.385 172.395 174.700 0.133 0.000 0.963 94 T CA -1.411 60.680 62.100 -0.014 0.000 1.019 94 T CB 2.294 71.026 68.868 -0.226 0.000 0.923 94 T HN -0.017 nan 8.240 nan 0.000 0.468 95 P HA 0.311 nan 4.420 nan 0.000 0.277 95 P C -0.549 176.910 177.300 0.264 0.000 1.240 95 P CA -0.711 62.416 63.100 0.044 0.000 0.798 95 P CB 0.527 32.174 31.700 -0.089 0.000 0.979 96 F N 1.659 121.738 119.950 0.215 0.000 2.529 96 F HA 0.209 4.737 4.527 0.001 0.000 0.365 96 F C -1.355 174.514 175.800 0.115 0.000 1.102 96 F CA -2.234 55.879 58.000 0.188 0.000 1.271 96 F CB -1.384 37.645 39.000 0.050 0.000 1.120 96 F HN 0.191 nan 8.300 nan 0.000 0.579 97 P HA -0.003 nan 4.420 nan 0.000 0.269 97 P C 0.598 178.017 177.300 0.200 0.000 1.217 97 P CA 0.034 63.261 63.100 0.213 0.000 0.783 97 P CB 0.705 32.532 31.700 0.212 0.000 0.898 98 E N 0.556 120.848 120.200 0.153 0.000 2.150 98 E HA -0.210 4.141 4.350 0.001 0.000 0.193 98 E C 1.842 178.512 176.600 0.117 0.000 0.985 98 E CA 1.354 57.826 56.400 0.120 0.000 0.814 98 E CB -0.253 29.498 29.700 0.086 0.000 0.752 98 E HN 0.458 nan 8.360 nan 0.000 0.466 99 Q N -0.563 119.319 119.800 0.137 0.000 2.123 99 Q HA -0.104 4.237 4.340 0.001 0.000 0.199 99 Q C 2.020 178.126 176.000 0.177 0.000 0.966 99 Q CA 0.789 56.658 55.803 0.110 0.000 0.845 99 Q CB -0.011 28.756 28.738 0.048 0.000 0.907 99 Q HN 0.295 nan 8.270 nan 0.000 0.439 100 L N 1.227 122.613 121.223 0.273 0.000 2.056 100 L HA -0.162 4.179 4.340 0.001 0.000 0.207 100 L C 1.601 178.507 176.870 0.061 0.000 1.078 100 L CA 1.911 56.855 54.840 0.175 0.000 0.749 100 L CB -0.511 41.513 42.059 -0.059 0.000 0.901 100 L HN 0.142 nan 8.230 nan 0.000 0.433 101 D N -0.076 120.400 120.400 0.127 0.000 2.092 101 D HA -0.180 4.460 4.640 0.001 0.000 0.193 101 D C 2.180 178.528 176.300 0.081 0.000 0.994 101 D CA 1.677 55.765 54.000 0.148 0.000 0.828 101 D CB -0.199 40.700 40.800 0.166 0.000 0.963 101 D HN 0.476 nan 8.370 nan 0.000 0.450 102 A N 0.937 123.799 122.820 0.070 0.000 1.940 102 A HA -0.215 4.105 4.320 0.001 0.000 0.219 102 A C 2.069 179.665 177.584 0.021 0.000 1.176 102 A CA 1.569 53.632 52.037 0.043 0.000 0.631 102 A CB -0.464 18.558 19.000 0.036 0.000 0.814 102 A HN 0.240 nan 8.150 nan 0.000 0.446 103 E N -0.601 119.607 120.200 0.014 0.000 2.112 103 E HA -0.059 4.292 4.350 0.001 0.000 0.190 103 E C 1.893 178.423 176.600 -0.115 0.000 0.979 103 E CA 0.833 57.217 56.400 -0.026 0.000 0.814 103 E CB -0.212 29.493 29.700 0.008 0.000 0.762 103 E HN 0.694 nan 8.360 nan 0.000 0.460 104 I N 1.418 121.926 120.570 -0.102 0.000 2.142 104 I HA -0.292 3.878 4.170 0.001 0.000 0.240 104 I C 2.677 178.745 176.117 -0.081 0.000 1.078 104 I CA 1.302 62.506 61.300 -0.161 0.000 1.343 104 I CB -0.220 37.778 38.000 -0.004 0.000 1.046 104 I HN 0.127 nan 8.210 nan 0.000 0.405 105 E N 1.196 121.406 120.200 0.016 0.000 2.097 105 E HA -0.283 4.067 4.350 0.001 0.000 0.196 105 E C 2.187 178.856 176.600 0.115 0.000 1.000 105 E CA 1.526 57.983 56.400 0.094 0.000 0.804 105 E CB -0.049 29.695 29.700 0.074 0.000 0.740 105 E HN 0.515 nan 8.360 nan 0.000 0.454 106 A N 0.673 123.514 122.820 0.035 0.000 1.968 106 A HA 0.054 4.374 4.320 0.001 0.000 0.217 106 A C 2.277 179.896 177.584 0.059 0.000 1.169 106 A CA 1.405 53.471 52.037 0.047 0.000 0.638 106 A CB -0.433 18.584 19.000 0.028 0.000 0.812 106 A HN 0.409 nan 8.150 nan 0.000 0.446 107 A N -1.098 121.668 122.820 -0.090 0.000 1.898 107 A HA -0.085 4.235 4.320 0.001 0.000 0.214 107 A C 2.074 179.620 177.584 -0.063 0.000 1.183 107 A CA 1.105 53.003 52.037 -0.231 0.000 0.622 107 A CB -0.892 17.342 19.000 -1.276 0.000 0.824 107 A HN 0.835 nan 8.150 nan 0.000 0.444 108 W N 1.514 122.712 121.300 -0.170 0.000 2.318 108 W HA -0.229 4.431 4.660 0.001 0.000 0.313 108 W C 1.378 177.957 176.519 0.100 0.000 1.221 108 W CA 2.078 59.468 57.345 0.074 0.000 1.266 108 W CB -0.418 29.083 29.460 0.068 0.000 1.150 108 W HN 0.369 nan 8.180 nan 0.000 0.496 109 N N 0.837 119.588 118.700 0.086 0.000 2.289 109 N HA -0.177 4.564 4.740 0.001 0.000 0.184 109 N C 1.709 177.193 175.510 -0.043 0.000 1.016 109 N CA 1.403 54.442 53.050 -0.019 0.000 0.872 109 N CB -0.616 37.921 38.487 0.084 0.000 0.973 109 N HN 0.325 nan 8.380 nan 0.000 0.433 110 K N 0.485 120.928 120.400 0.072 0.000 2.116 110 K HA 0.093 4.414 4.320 0.001 0.000 0.203 110 K C 1.972 178.637 176.600 0.109 0.000 1.052 110 K CA 0.386 56.730 56.287 0.095 0.000 0.952 110 K CB 0.059 32.658 32.500 0.166 0.000 0.729 110 K HN 0.095 nan 8.250 nan 0.000 0.446 111 M N 0.713 120.434 119.600 0.201 0.000 2.073 111 M HA -0.195 4.285 4.480 0.001 0.000 0.258 111 M C 2.313 178.520 176.300 -0.155 0.000 1.070 111 M CA 1.909 57.247 55.300 0.063 0.000 1.103 111 M CB -0.505 32.067 32.600 -0.046 0.000 1.321 111 M HN 0.119 nan 8.290 nan 0.000 0.405 112 V N -0.789 118.909 119.914 -0.359 0.000 2.626 112 V HA -0.099 4.021 4.120 0.001 0.000 0.252 112 V C 2.175 178.181 176.094 -0.146 0.000 1.067 112 V CA 1.799 63.912 62.300 -0.312 0.000 1.081 112 V CB -0.996 30.584 31.823 -0.405 0.000 0.686 112 V HN 0.377 nan 8.190 nan 0.000 0.468 113 A N 0.344 123.098 122.820 -0.109 0.000 1.897 113 A HA -0.141 4.180 4.320 0.001 0.000 0.215 113 A C 1.895 179.448 177.584 -0.051 0.000 1.181 113 A CA 1.738 53.736 52.037 -0.064 0.000 0.620 113 A CB -0.790 18.178 19.000 -0.054 0.000 0.821 113 A HN 0.575 nan 8.150 nan 0.000 0.443 114 D N 0.376 120.750 120.400 -0.043 0.000 2.178 114 D HA -0.000 4.640 4.640 0.001 0.000 0.201 114 D C 1.490 177.780 176.300 -0.017 0.000 0.980 114 D CA 1.355 55.340 54.000 -0.026 0.000 0.842 114 D CB -0.302 40.501 40.800 0.006 0.000 0.948 114 D HN 0.395 nan 8.370 nan 0.000 0.472 115 A N -0.140 122.662 122.820 -0.030 0.000 2.648 115 A HA 0.505 4.825 4.320 0.001 0.000 0.269 115 A C 1.801 179.371 177.584 -0.023 0.000 1.392 115 A CA 0.711 52.733 52.037 -0.024 0.000 1.019 115 A CB -0.916 18.059 19.000 -0.042 0.000 1.009 115 A HN 0.204 nan 8.150 nan 0.000 0.565 116 G N 0.164 108.952 108.800 -0.021 0.000 4.475 116 G HA2 -0.420 3.541 3.960 0.001 0.000 0.240 116 G HA3 -0.420 3.541 3.960 0.001 0.000 0.240 116 G C 1.456 176.345 174.900 -0.018 0.000 1.662 116 G CA 1.202 46.293 45.100 -0.016 0.000 1.658 116 G HN 1.363 nan 8.290 nan 0.000 0.824 117 G N 0.162 108.953 108.800 -0.015 0.000 2.586 117 G HA2 0.585 4.545 3.960 0.001 0.000 0.199 117 G HA3 0.585 4.545 3.960 0.001 0.000 0.199 117 G C 0.475 175.361 174.900 -0.024 0.000 1.614 117 G CA 2.570 47.663 45.100 -0.011 0.000 0.921 117 G HN 2.185 nan 8.290 nan 0.000 0.428 118 A N -1.990 120.814 122.820 -0.027 0.000 2.583 118 A HA 0.489 4.810 4.320 0.001 0.000 0.292 118 A C -1.842 175.744 177.584 0.004 0.000 1.045 118 A CA -0.401 51.631 52.037 -0.009 0.000 0.672 118 A CB 0.816 19.807 19.000 -0.015 0.000 1.283 118 A HN 0.227 nan 8.150 nan 0.000 0.419 119 D N 2.127 122.547 120.400 0.034 0.000 2.741 119 D HA 0.334 4.974 4.640 0.001 0.000 0.233 119 D C 0.567 176.910 176.300 0.071 0.000 1.160 119 D CA -0.055 53.987 54.000 0.070 0.000 1.003 119 D CB -0.428 40.416 40.800 0.073 0.000 1.064 119 D HN 0.590 nan 8.370 nan 0.000 0.503 120 I N -0.910 119.684 120.570 0.040 0.000 2.882 120 I HA 0.257 4.427 4.170 0.001 0.000 0.286 120 I C 0.395 176.579 176.117 0.111 0.000 1.139 120 I CA -0.474 60.847 61.300 0.036 0.000 1.379 120 I CB 1.015 38.977 38.000 -0.062 0.000 1.410 120 I HN 0.038 nan 8.210 nan 0.000 0.594 121 S N 4.567 120.325 115.700 0.095 0.000 2.648 121 S HA 0.874 5.345 4.470 0.001 0.000 0.305 121 S C -0.387 174.265 174.600 0.087 0.000 1.094 121 S CA -0.315 57.938 58.200 0.089 0.000 0.983 121 S CB 1.906 65.081 63.200 -0.041 0.000 1.101 121 S HN 1.157 nan 8.310 nan 0.000 0.514 122 V N -2.182 117.780 119.914 0.080 0.000 3.078 122 V HA 0.982 5.102 4.120 0.001 0.000 0.311 122 V C -0.265 175.845 176.094 0.027 0.000 1.138 122 V CA -1.003 61.341 62.300 0.073 0.000 1.007 122 V CB 1.079 32.986 31.823 0.139 0.000 1.045 122 V HN 1.465 nan 8.190 nan 0.000 0.432 123 A N 1.954 124.788 122.820 0.022 0.000 2.301 123 A HA 0.832 5.153 4.320 0.001 0.000 0.312 123 A C -0.461 177.133 177.584 0.017 0.000 1.182 123 A CA -0.635 51.415 52.037 0.023 0.000 0.826 123 A CB 1.296 20.305 19.000 0.014 0.000 1.134 123 A HN 1.480 nan 8.150 nan 0.000 0.501 124 V N 4.293 124.243 119.914 0.059 0.000 2.313 124 V HA 0.419 4.539 4.120 0.001 0.000 0.278 124 V C 0.175 176.337 176.094 0.113 0.000 1.017 124 V CA -0.410 61.924 62.300 0.055 0.000 0.823 124 V CB 0.592 32.441 31.823 0.042 0.000 1.010 124 V HN 0.959 nan 8.190 nan 0.000 0.443 125 R N 2.256 122.792 120.500 0.060 0.000 2.832 125 R HA 0.658 4.998 4.340 0.001 0.000 0.271 125 R C -0.178 176.152 176.300 0.049 0.000 0.996 125 R CA -0.629 55.495 56.100 0.040 0.000 0.977 125 R CB 2.206 32.506 30.300 -0.000 0.000 1.168 125 R HN 0.650 nan 8.270 nan 0.000 0.482 126 S N 0.236 115.948 115.700 0.020 0.000 2.475 126 S HA 0.175 4.646 4.470 0.001 0.000 0.281 126 S C -0.351 174.230 174.600 -0.032 0.000 1.198 126 S CA -0.386 57.819 58.200 0.008 0.000 1.063 126 S CB 1.077 64.263 63.200 -0.024 0.000 0.972 126 S HN 0.496 nan 8.310 nan 0.000 0.486 127 S N 4.139 119.826 115.700 -0.022 0.000 2.399 127 S HA 0.624 5.094 4.470 0.001 0.000 0.215 127 S C -0.064 174.505 174.600 -0.050 0.000 1.456 127 S CA -0.525 57.657 58.200 -0.029 0.000 1.199 127 S CB -0.218 62.984 63.200 0.003 0.000 1.063 127 S HN 1.095 nan 8.310 nan 0.000 0.476 128 A N 2.663 125.441 122.820 -0.069 0.000 2.322 128 A HA 0.521 4.841 4.320 0.001 0.000 0.269 128 A C 0.986 178.549 177.584 -0.035 0.000 1.094 128 A CA -0.456 51.530 52.037 -0.086 0.000 0.807 128 A CB 0.114 19.051 19.000 -0.106 0.000 1.047 128 A HN 0.715 nan 8.150 nan 0.000 0.487 129 T N 1.529 116.046 114.554 -0.060 0.000 3.609 129 T HA 0.395 4.745 4.350 0.001 0.000 0.245 129 T C 0.613 175.313 174.700 -0.000 0.000 0.980 129 T CA 0.651 62.729 62.100 -0.037 0.000 0.940 129 T CB -1.027 67.799 68.868 -0.071 0.000 1.105 129 T HN 0.881 nan 8.240 nan 0.000 0.627 139 A N 0.347 123.257 122.820 0.148 0.000 1.876 139 A HA 0.704 5.025 4.320 0.001 0.000 0.193 139 A C 0.614 178.210 177.584 0.020 0.000 1.883 139 A CA 0.683 52.763 52.037 0.072 0.000 1.052 139 A CB -0.278 18.758 19.000 0.059 0.000 1.049 139 A HN 0.410 nan 8.150 nan 0.000 0.615 140 G N -1.179 107.604 108.800 -0.029 0.000 2.537 140 G HA2 0.458 4.418 3.960 0.001 0.000 0.308 140 G HA3 0.458 4.418 3.960 0.001 0.000 0.308 140 G C -0.042 174.798 174.900 -0.100 0.000 1.237 140 G CA 0.374 45.428 45.100 -0.077 0.000 0.968 140 G HN 0.283 nan 8.290 nan 0.000 0.481 141 Q N -0.610 119.104 119.800 -0.144 0.000 2.137 141 Q HA -0.019 4.321 4.340 0.001 0.000 0.198 141 Q C 1.461 177.345 176.000 -0.194 0.000 0.960 141 Q CA 1.010 56.725 55.803 -0.147 0.000 0.847 141 Q CB -0.119 28.539 28.738 -0.132 0.000 0.915 141 Q HN 0.720 nan 8.270 nan 0.000 0.448 142 Q N -0.095 119.529 119.800 -0.294 0.000 1.764 142 Q HA -0.284 4.056 4.340 0.001 0.000 0.419 142 Q C -0.798 175.094 176.000 -0.180 0.000 0.871 142 Q CA 2.096 57.739 55.803 -0.268 0.000 0.756 142 Q CB -0.589 28.031 28.738 -0.197 0.000 4.074 142 Q HN 0.522 nan 8.270 nan 0.000 0.739 143 E N -0.759 119.359 120.200 -0.137 0.000 2.935 143 E HA 0.237 4.588 4.350 0.001 0.000 0.321 143 E C -1.709 174.801 176.600 -0.150 0.000 1.070 143 E CA 0.542 56.853 56.400 -0.147 0.000 0.882 143 E CB 1.540 31.206 29.700 -0.057 0.000 1.224 143 E HN 0.564 nan 8.360 nan 0.000 0.445 144 T N 1.583 115.939 114.554 -0.329 0.000 2.900 144 T HA 0.797 5.148 4.350 0.001 0.000 0.303 144 T C -1.662 172.703 174.700 -0.559 0.000 1.142 144 T CA -0.405 61.541 62.100 -0.257 0.000 1.007 144 T CB 0.786 69.564 68.868 -0.150 0.000 1.156 144 T HN 0.251 nan 8.240 nan 0.000 0.490 145 F N 1.950 121.864 119.950 -0.061 0.000 2.569 145 F HA 0.728 5.255 4.527 0.001 0.000 0.312 145 F C -0.519 175.235 175.800 -0.078 0.000 1.109 145 F CA -0.898 57.056 58.000 -0.078 0.000 0.919 145 F CB 2.150 41.097 39.000 -0.088 0.000 1.211 145 F HN 0.446 nan 8.300 nan 0.000 0.446 146 L N 1.953 123.216 121.223 0.067 0.000 2.370 146 L HA 0.488 4.828 4.340 0.001 0.000 0.266 146 L C -0.256 176.549 176.870 -0.109 0.000 1.002 146 L CA -1.226 53.607 54.840 -0.012 0.000 0.818 146 L CB 1.794 43.846 42.059 -0.011 0.000 1.325 146 L HN 0.743 nan 8.230 nan 0.000 0.418 147 N N 2.380 120.956 118.700 -0.208 0.000 2.708 147 N HA -0.171 4.570 4.740 0.001 0.000 0.255 147 N C -1.210 174.149 175.510 -0.252 0.000 1.046 147 N CA 0.314 53.094 53.050 -0.450 0.000 0.715 147 N CB -0.564 37.284 38.487 -1.066 0.000 0.895 147 N HN 0.417 nan 8.380 nan 0.000 0.545 148 I N 0.706 121.205 120.570 -0.119 0.000 2.312 148 I HA 0.197 4.367 4.170 0.001 0.000 0.290 148 I C 1.292 177.390 176.117 -0.032 0.000 1.008 148 I CA -0.302 60.945 61.300 -0.088 0.000 1.226 148 I CB 1.214 39.164 38.000 -0.083 0.000 1.371 148 I HN 0.325 nan 8.210 nan 0.000 0.468 149 N N 3.699 122.374 118.700 -0.041 0.000 2.415 149 N HA 0.097 4.837 4.740 0.001 0.000 0.174 149 N C 0.697 176.283 175.510 0.128 0.000 1.048 149 N CA 0.311 53.396 53.050 0.058 0.000 0.895 149 N CB 1.506 40.002 38.487 0.016 0.000 1.036 149 N HN 0.764 nan 8.380 nan 0.000 0.449 150 G N -0.240 108.508 108.800 -0.087 0.000 2.730 150 G HA2 0.385 4.345 3.960 0.001 0.000 0.289 150 G HA3 0.385 4.345 3.960 0.001 0.000 0.289 150 G C 0.679 175.152 174.900 -0.712 0.000 1.341 150 G CA -0.586 44.354 45.100 -0.265 0.000 0.932 150 G HN 0.054 nan 8.290 nan 0.000 0.481 151 L N -0.408 120.252 121.223 -0.939 0.000 2.021 151 L HA -0.151 4.189 4.340 0.001 0.000 0.215 151 L C 2.147 178.720 176.870 -0.494 0.000 1.074 151 L CA 1.916 56.174 54.840 -0.969 0.000 0.760 151 L CB 0.001 41.680 42.059 -0.633 0.000 0.889 151 L HN 0.495 nan 8.230 nan 0.000 0.433 152 D N -0.700 119.502 120.400 -0.329 0.000 2.149 152 D HA -0.130 4.510 4.640 0.001 0.000 0.201 152 D C 1.915 178.075 176.300 -0.233 0.000 0.972 152 D CA 0.723 54.585 54.000 -0.230 0.000 0.835 152 D CB -0.264 40.433 40.800 -0.171 0.000 0.966 152 D HN 0.369 nan 8.370 nan 0.000 0.476 153 N N 0.578 119.128 118.700 -0.250 0.000 2.084 153 N HA -0.113 4.628 4.740 0.001 0.000 0.190 153 N C 2.085 177.439 175.510 -0.261 0.000 1.030 153 N CA 0.533 53.442 53.050 -0.235 0.000 0.849 153 N CB -0.530 37.833 38.487 -0.207 0.000 1.012 153 N HN 0.077 nan 8.380 nan 0.000 0.423 154 V N 2.023 121.751 119.914 -0.310 0.000 2.287 154 V HA -0.215 3.906 4.120 0.001 0.000 0.248 154 V C 2.236 178.216 176.094 -0.191 0.000 1.053 154 V CA 1.537 63.680 62.300 -0.263 0.000 1.027 154 V CB -0.375 31.250 31.823 -0.330 0.000 0.646 154 V HN 0.333 nan 8.190 nan 0.000 0.447 155 K N 0.092 120.391 120.400 -0.168 0.000 2.097 155 K HA -0.244 4.076 4.320 0.001 0.000 0.206 155 K C 2.159 178.683 176.600 -0.128 0.000 1.049 155 K CA 1.847 58.092 56.287 -0.070 0.000 0.933 155 K CB -0.152 32.306 32.500 -0.069 0.000 0.717 155 K HN 0.780 nan 8.250 nan 0.000 0.442 156 E N 0.972 121.065 120.200 -0.179 0.000 2.112 156 E HA -0.073 4.278 4.350 0.001 0.000 0.190 156 E C 1.973 178.482 176.600 -0.150 0.000 0.979 156 E CA 0.881 57.180 56.400 -0.168 0.000 0.814 156 E CB -0.110 29.475 29.700 -0.191 0.000 0.762 156 E HN 0.174 nan 8.360 nan 0.000 0.460 157 A N 1.284 123.912 122.820 -0.320 0.000 1.972 157 A HA -0.132 4.189 4.320 0.001 0.000 0.219 157 A C 2.275 179.655 177.584 -0.340 0.000 1.169 157 A CA 1.713 53.384 52.037 -0.609 0.000 0.635 157 A CB -0.589 18.029 19.000 -0.636 0.000 0.810 157 A HN 0.366 nan 8.150 nan 0.000 0.446 158 M N -2.001 117.459 119.600 -0.234 0.000 2.175 158 M HA -0.134 4.347 4.480 0.001 0.000 0.264 158 M C 2.082 178.108 176.300 -0.456 0.000 1.063 158 M CA 1.610 56.725 55.300 -0.309 0.000 1.119 158 M CB -0.504 31.893 32.600 -0.339 0.000 1.377 158 M HN 0.552 nan 8.290 nan 0.000 0.415 159 H N -0.708 118.132 119.070 -0.385 0.000 2.387 159 H HA -0.135 4.421 4.556 0.001 0.000 0.299 159 H C 2.111 177.348 175.328 -0.152 0.000 1.099 159 H CA 1.701 57.542 56.048 -0.346 0.000 1.315 159 H CB 0.000 29.530 29.762 -0.387 0.000 1.380 159 H HN 0.383 nan 8.280 nan 0.000 0.513 160 H N -0.926 118.150 119.070 0.011 0.000 2.333 160 H HA -0.077 4.480 4.556 0.001 0.000 0.302 160 H C 2.479 177.945 175.328 0.230 0.000 1.075 160 H CA 1.378 57.492 56.048 0.111 0.000 1.348 160 H CB -0.153 29.627 29.762 0.030 0.000 1.393 160 H HN 0.181 nan 8.280 nan 0.000 0.509 161 V N 1.321 121.440 119.914 0.343 0.000 2.282 161 V HA -0.272 3.849 4.120 0.001 0.000 0.249 161 V C 2.406 178.745 176.094 0.409 0.000 1.057 161 V CA 1.667 64.171 62.300 0.340 0.000 1.032 161 V CB -0.756 31.233 31.823 0.276 0.000 0.645 161 V HN 0.205 nan 8.190 nan 0.000 0.447 162 F N 0.833 120.879 119.950 0.160 0.000 2.126 162 F HA -0.182 4.345 4.527 0.001 0.000 0.299 162 F C 2.461 178.471 175.800 0.349 0.000 1.096 162 F CA 1.173 59.339 58.000 0.277 0.000 1.255 162 F CB -1.494 37.540 39.000 0.056 0.000 0.997 162 F HN 0.158 nan 8.300 nan 0.000 0.479 163 A N -0.368 122.728 122.820 0.460 0.000 2.015 163 A HA -0.144 4.176 4.320 0.001 0.000 0.219 163 A C 2.355 180.123 177.584 0.308 0.000 1.163 163 A CA 1.637 53.899 52.037 0.375 0.000 0.646 163 A CB -1.046 18.093 19.000 0.232 0.000 0.806 163 A HN 0.402 nan 8.150 nan 0.000 0.448 164 S N -0.182 115.665 115.700 0.245 0.000 2.442 164 S HA -0.083 4.387 4.470 0.001 0.000 0.236 164 S C 1.832 176.450 174.600 0.030 0.000 1.007 164 S CA 1.085 59.364 58.200 0.131 0.000 0.965 164 S CB -0.629 62.633 63.200 0.102 0.000 0.773 164 S HN 0.492 nan 8.310 nan 0.000 0.504 165 L N -0.570 120.657 121.223 0.007 0.000 2.187 165 L HA -0.071 4.270 4.340 0.001 0.000 0.213 165 L C 0.931 177.548 176.870 -0.422 0.000 1.100 165 L CA 1.517 56.195 54.840 -0.271 0.000 0.765 165 L CB -0.227 41.580 42.059 -0.420 0.000 0.904 165 L HN 0.474 nan 8.230 nan 0.000 0.437 166 Y N -1.294 119.058 120.300 0.086 0.000 2.681 166 Y HA 0.204 4.754 4.550 0.001 0.000 0.267 166 Y C 0.536 176.461 175.900 0.043 0.000 1.166 166 Y CA -1.119 57.025 58.100 0.073 0.000 1.209 166 Y CB -0.121 38.395 38.460 0.095 0.000 1.161 166 Y HN 0.072 nan 8.280 nan 0.000 0.534 167 N N 1.543 120.301 118.700 0.097 0.000 2.345 167 N HA -0.114 4.627 4.740 0.001 0.000 0.243 167 N C 0.881 176.423 175.510 0.053 0.000 1.246 167 N CA 0.596 53.679 53.050 0.055 0.000 0.863 167 N CB 0.643 39.133 38.487 0.004 0.000 1.096 167 N HN 0.299 nan 8.380 nan 0.000 0.446 168 D N 1.201 121.627 120.400 0.044 0.000 2.117 168 D HA -0.179 4.461 4.640 0.001 0.000 0.197 168 D C 1.822 178.146 176.300 0.040 0.000 0.987 168 D CA 1.155 55.180 54.000 0.042 0.000 0.829 168 D CB 0.024 40.841 40.800 0.028 0.000 0.961 168 D HN 0.647 nan 8.370 nan 0.000 0.460 169 R N 1.061 121.584 120.500 0.040 0.000 2.115 169 R HA 0.016 4.357 4.340 0.001 0.000 0.230 169 R C 2.073 178.434 176.300 0.101 0.000 1.111 169 R CA 1.517 57.654 56.100 0.062 0.000 0.976 169 R CB -0.280 30.056 30.300 0.061 0.000 0.870 169 R HN 0.049 nan 8.270 nan 0.000 0.445 170 A N 1.532 124.393 122.820 0.067 0.000 1.930 170 A HA -0.051 4.270 4.320 0.001 0.000 0.217 170 A C 2.197 179.856 177.584 0.124 0.000 1.175 170 A CA 1.322 53.416 52.037 0.096 0.000 0.627 170 A CB -0.430 18.546 19.000 -0.040 0.000 0.815 170 A HN 0.364 nan 8.150 nan 0.000 0.443 171 I N -0.733 119.883 120.570 0.078 0.000 2.179 171 I HA -0.225 3.946 4.170 0.001 0.000 0.242 171 I C 2.793 178.910 176.117 0.001 0.000 1.088 171 I CA 1.361 62.709 61.300 0.081 0.000 1.357 171 I CB -0.328 37.735 38.000 0.105 0.000 1.051 171 I HN 0.247 nan 8.210 nan 0.000 0.409 172 S N -0.058 115.603 115.700 -0.065 0.000 2.354 172 S HA -0.276 4.195 4.470 0.001 0.000 0.219 172 S C 2.026 176.409 174.600 -0.362 0.000 1.035 172 S CA 1.624 59.631 58.200 -0.322 0.000 1.037 172 S CB -0.549 62.485 63.200 -0.277 0.000 0.956 172 S HN 0.463 nan 8.310 nan 0.000 0.428 173 Y N 2.311 122.517 120.300 -0.156 0.000 2.173 173 Y HA -0.275 4.275 4.550 0.001 0.000 0.282 173 Y C 2.304 178.164 175.900 -0.065 0.000 1.192 173 Y CA 1.884 59.967 58.100 -0.028 0.000 1.176 173 Y CB -0.140 38.415 38.460 0.158 0.000 0.969 173 Y HN 0.130 nan 8.280 nan 0.000 0.519 174 R N -1.195 119.323 120.500 0.030 0.000 2.075 174 R HA -0.064 4.276 4.340 0.001 0.000 0.226 174 R C 2.254 178.428 176.300 -0.210 0.000 1.114 174 R CA 1.262 57.369 56.100 0.012 0.000 0.972 174 R CB -0.585 29.903 30.300 0.313 0.000 0.869 174 R HN 0.236 nan 8.270 nan 0.000 0.437 175 V N 0.670 120.491 119.914 -0.155 0.000 2.392 175 V HA -0.278 3.843 4.120 0.001 0.000 0.249 175 V C 1.849 177.824 176.094 -0.198 0.000 1.059 175 V CA 1.859 64.068 62.300 -0.152 0.000 1.051 175 V CB -0.562 31.189 31.823 -0.121 0.000 0.658 175 V HN 0.414 nan 8.190 nan 0.000 0.455 176 H N -0.174 118.714 119.070 -0.304 0.000 2.276 176 H HA -0.081 4.476 4.556 0.001 0.000 0.301 176 H C 2.260 177.239 175.328 -0.582 0.000 1.073 176 H CA 1.186 56.970 56.048 -0.439 0.000 1.311 176 H CB -0.065 29.444 29.762 -0.423 0.000 1.379 176 H HN 0.245 nan 8.280 nan 0.000 0.494 177 K N 0.657 120.668 120.400 -0.647 0.000 2.442 177 K HA -0.080 4.241 4.320 0.001 0.000 0.200 177 K C 0.350 176.356 176.600 -0.991 0.000 1.045 177 K CA 0.663 56.429 56.287 -0.868 0.000 0.937 177 K CB -0.152 31.676 32.500 -1.121 0.000 0.757 177 K HN 0.560 nan 8.250 nan 0.000 0.474 178 G N 1.352 109.690 108.800 -0.771 0.000 2.788 178 G HA2 -0.202 3.758 3.960 0.001 0.000 0.249 178 G HA3 -0.202 3.758 3.960 0.001 0.000 0.249 178 G C -0.577 174.132 174.900 -0.318 0.000 1.008 178 G CA -0.524 44.325 45.100 -0.418 0.000 1.220 178 G HN 0.077 nan 8.290 nan 0.000 0.506 183 I N -0.561 120.138 120.570 0.216 0.000 5.443 183 I HA 0.121 4.292 4.170 0.001 0.000 0.224 183 I C -1.214 174.959 176.117 0.094 0.000 1.813 183 I CA -0.541 60.852 61.300 0.155 0.000 2.031 183 I CB -1.518 36.596 38.000 0.191 0.000 3.343 183 I HN 0.017 nan 8.210 nan 0.000 0.171 184 V N -0.341 119.644 119.914 0.118 0.000 3.182 184 V HA 1.060 5.180 4.120 0.001 0.000 0.308 184 V C 0.202 176.244 176.094 -0.087 0.000 1.240 184 V CA -0.242 62.043 62.300 -0.026 0.000 1.063 184 V CB 1.618 33.379 31.823 -0.103 0.000 1.076 184 V HN 0.772 nan 8.190 nan 0.000 0.446 185 A N 0.936 123.590 122.820 -0.277 0.000 2.530 185 A HA 1.079 5.399 4.320 0.001 0.000 0.288 185 A C -1.369 175.768 177.584 -0.745 0.000 1.172 185 A CA -0.558 51.087 52.037 -0.654 0.000 0.733 185 A CB 1.985 20.776 19.000 -0.349 0.000 1.320 185 A HN 2.006 nan 8.150 nan 0.000 0.419 186 L N -2.210 118.377 121.223 -1.059 0.000 2.491 186 L HA 0.927 5.268 4.340 0.001 0.000 0.254 186 L C -0.418 176.235 176.870 -0.362 0.000 1.048 186 L CA -0.430 54.083 54.840 -0.544 0.000 0.855 186 L CB 1.427 43.239 42.059 -0.412 0.000 1.466 186 L HN 0.836 nan 8.230 nan 0.000 0.409 187 S N 0.279 115.894 115.700 -0.141 0.000 2.482 187 S HA 0.920 5.391 4.470 0.001 0.000 0.303 187 S C -0.499 174.157 174.600 0.093 0.000 1.091 187 S CA 0.009 58.205 58.200 -0.007 0.000 1.057 187 S CB 1.213 64.421 63.200 0.014 0.000 1.031 187 S HN 1.335 nan 8.310 nan 0.000 0.485 188 A N 3.320 126.258 122.820 0.196 0.000 2.274 188 A HA 0.721 5.041 4.320 0.001 0.000 0.309 188 A C 0.452 178.077 177.584 0.069 0.000 1.226 188 A CA -0.390 51.745 52.037 0.164 0.000 0.853 188 A CB 0.318 19.434 19.000 0.194 0.000 1.146 188 A HN 1.086 nan 8.150 nan 0.000 0.518 189 G N 0.817 109.653 108.800 0.060 0.000 2.335 189 G HA2 0.516 4.476 3.960 0.001 0.000 0.316 189 G HA3 0.516 4.476 3.960 0.001 0.000 0.316 189 G C -0.879 173.996 174.900 -0.042 0.000 1.129 189 G CA -0.268 44.894 45.100 0.103 0.000 0.899 189 G HN 0.709 nan 8.290 nan 0.000 0.448 190 V N 3.167 122.881 119.914 -0.335 0.000 2.326 190 V HA 0.370 4.490 4.120 0.001 0.000 0.281 190 V C 0.040 175.941 176.094 -0.322 0.000 1.015 190 V CA -0.535 61.481 62.300 -0.474 0.000 0.823 190 V CB 0.945 32.167 31.823 -1.002 0.000 1.009 190 V HN 0.821 nan 8.190 nan 0.000 0.436 191 Q N 4.079 123.860 119.800 -0.031 0.000 2.342 191 Q HA 0.502 4.843 4.340 0.001 0.000 0.267 191 Q C -0.103 175.928 176.000 0.052 0.000 1.038 191 Q CA -0.885 54.984 55.803 0.111 0.000 0.832 191 Q CB 2.002 30.837 28.738 0.162 0.000 1.323 191 Q HN 0.681 nan 8.270 nan 0.000 0.448 192 R N 3.037 123.575 120.500 0.064 0.000 2.623 192 R HA 0.083 4.424 4.340 0.001 0.000 0.271 192 R C -0.246 176.061 176.300 0.013 0.000 1.043 192 R CA 0.208 56.330 56.100 0.037 0.000 1.083 192 R CB 0.489 30.808 30.300 0.033 0.000 0.974 192 R HN 0.634 nan 8.270 nan 0.000 0.436 193 M N 3.866 123.481 119.600 0.025 0.000 2.185 193 M HA 0.124 4.605 4.480 0.001 0.000 0.357 193 M C -0.290 175.998 176.300 -0.020 0.000 1.260 193 M CA -0.259 55.066 55.300 0.042 0.000 1.124 193 M CB 1.327 34.008 32.600 0.135 0.000 1.600 193 M HN 0.274 nan 8.290 nan 0.000 0.467 194 V N 4.808 124.676 119.914 -0.076 0.000 2.567 194 V HA 0.269 4.389 4.120 0.001 0.000 0.289 194 V C 0.913 176.966 176.094 -0.069 0.000 1.049 194 V CA -0.727 61.465 62.300 -0.179 0.000 0.969 194 V CB 1.236 32.916 31.823 -0.239 0.000 0.995 194 V HN 0.660 nan 8.190 nan 0.000 0.471 195 R N 2.454 122.899 120.500 -0.091 0.000 4.609 195 R HA 0.118 4.459 4.340 0.001 0.000 0.235 195 R C 1.333 177.560 176.300 -0.121 0.000 1.836 195 R CA 0.041 56.064 56.100 -0.129 0.000 1.564 195 R CB -0.822 29.416 30.300 -0.103 0.000 1.382 195 R HN 0.826 nan 8.270 nan 0.000 0.776 196 S N -0.492 115.152 115.700 -0.093 0.000 2.607 196 S HA -0.098 4.372 4.470 0.001 0.000 0.224 196 S C 1.224 175.766 174.600 -0.096 0.000 0.969 196 S CA 0.278 58.445 58.200 -0.056 0.000 0.927 196 S CB 0.011 63.183 63.200 -0.048 0.000 0.772 196 S HN 0.427 nan 8.310 nan 0.000 0.533 197 D N 3.143 123.409 120.400 -0.224 0.000 2.149 197 D HA -0.171 4.470 4.640 0.001 0.000 0.198 197 D C 1.702 177.899 176.300 -0.173 0.000 0.990 197 D CA 1.659 55.496 54.000 -0.271 0.000 0.839 197 D CB -0.661 39.729 40.800 -0.684 0.000 0.948 197 D HN 0.647 nan 8.370 nan 0.000 0.460 198 S N -1.103 114.500 115.700 -0.162 0.000 2.557 198 S HA 0.438 4.908 4.470 0.001 0.000 0.223 198 S C 1.054 175.652 174.600 -0.003 0.000 0.969 198 S CA -0.117 58.036 58.200 -0.079 0.000 0.927 198 S CB 0.714 63.862 63.200 -0.087 0.000 0.806 198 S HN 0.445 nan 8.310 nan 0.000 0.489 199 G N 1.068 109.883 108.800 0.024 0.000 3.341 199 G HA2 0.798 4.759 3.960 0.001 0.000 0.177 199 G HA3 0.798 4.759 3.960 0.001 0.000 0.177 199 G C -0.642 174.353 174.900 0.159 0.000 1.236 199 G CA -0.351 44.810 45.100 0.102 0.000 0.888 199 G HN 0.755 nan 8.290 nan 0.000 0.644 200 A N -1.387 121.523 122.820 0.149 0.000 2.566 200 A HA 0.900 5.220 4.320 0.001 0.000 0.292 200 A C -0.347 177.192 177.584 -0.076 0.000 1.112 200 A CA 0.336 52.435 52.037 0.104 0.000 0.707 200 A CB 1.515 20.629 19.000 0.191 0.000 1.302 200 A HN 2.032 nan 8.150 nan 0.000 0.409 201 S N -1.201 114.255 115.700 -0.407 0.000 2.661 201 S HA 0.956 5.427 4.470 0.001 0.000 0.268 201 S C -0.145 173.669 174.600 -1.310 0.000 1.162 201 S CA 0.035 57.541 58.200 -1.158 0.000 0.817 201 S CB 0.930 63.754 63.200 -0.626 0.000 1.141 201 S HN 2.653 nan 8.310 nan 0.000 0.477 202 G N -0.702 107.077 108.800 -1.701 0.000 2.356 202 G HA2 0.511 4.471 3.960 0.001 0.000 0.281 202 G HA3 0.511 4.471 3.960 0.001 0.000 0.281 202 G C -2.111 172.393 174.900 -0.661 0.000 1.246 202 G CA 0.102 44.705 45.100 -0.828 0.000 0.889 202 G HN 1.507 nan 8.290 nan 0.000 0.486 203 V N 0.695 120.542 119.914 -0.112 0.000 2.760 203 V HA 0.721 4.841 4.120 0.001 0.000 0.309 203 V C -0.175 175.929 176.094 0.016 0.000 1.077 203 V CA -0.447 61.806 62.300 -0.078 0.000 0.910 203 V CB 1.812 33.535 31.823 -0.167 0.000 1.008 203 V HN 0.741 nan 8.190 nan 0.000 0.424 204 M N 3.888 123.425 119.600 -0.105 0.000 2.508 204 M HA 0.676 5.157 4.480 0.001 0.000 0.327 204 M C -1.624 174.442 176.300 -0.390 0.000 1.160 204 M CA -0.258 54.985 55.300 -0.094 0.000 0.980 204 M CB 2.168 34.764 32.600 -0.006 0.000 1.693 204 M HN 0.535 nan 8.290 nan 0.000 0.452 205 F N -0.652 119.372 119.950 0.124 0.000 2.551 205 F HA 0.335 4.863 4.527 0.001 0.000 0.316 205 F C 1.122 176.984 175.800 0.103 0.000 1.089 205 F CA -0.860 57.218 58.000 0.130 0.000 0.915 205 F CB 1.900 41.014 39.000 0.189 0.000 1.186 205 F HN 0.573 nan 8.300 nan 0.000 0.456 206 T N 0.306 114.989 114.554 0.214 0.000 3.278 206 T HA 0.445 4.795 4.350 0.001 0.000 0.251 206 T C -0.297 174.455 174.700 0.086 0.000 1.039 206 T CA -0.008 62.160 62.100 0.114 0.000 0.935 206 T CB -1.076 67.828 68.868 0.061 0.000 1.034 206 T HN 0.342 nan 8.240 nan 0.000 0.575 207 L N -3.161 118.147 121.223 0.143 0.000 2.491 207 L HA 0.790 5.130 4.340 0.001 0.000 0.254 207 L C -1.171 175.762 176.870 0.105 0.000 1.048 207 L CA -1.609 53.269 54.840 0.063 0.000 0.855 207 L CB 0.494 42.574 42.059 0.036 0.000 1.466 207 L HN -0.128 nan 8.230 nan 0.000 0.409 208 D N -0.261 120.172 120.400 0.054 0.000 2.338 208 D HA 0.289 4.930 4.640 0.001 0.000 0.255 208 D C 0.832 177.117 176.300 -0.025 0.000 1.237 208 D CA 0.389 54.422 54.000 0.055 0.000 0.883 208 D CB 1.143 42.033 40.800 0.149 0.000 1.087 208 D HN 0.682 nan 8.370 nan 0.000 0.485 209 T N 2.948 117.412 114.554 -0.149 0.000 2.635 209 T HA -0.205 4.146 4.350 0.001 0.000 0.267 209 T C 1.285 175.917 174.700 -0.114 0.000 1.040 209 T CA 1.514 63.503 62.100 -0.185 0.000 1.156 209 T CB -0.122 68.507 68.868 -0.397 0.000 0.863 209 T HN 0.453 nan 8.240 nan 0.000 0.430 210 E N 1.319 121.444 120.200 -0.125 0.000 2.026 210 E HA -0.140 4.210 4.350 0.001 0.000 0.206 210 E C 2.603 179.182 176.600 -0.034 0.000 1.028 210 E CA 2.004 58.359 56.400 -0.076 0.000 0.845 210 E CB -0.505 29.146 29.700 -0.081 0.000 0.772 210 E HN 0.630 nan 8.360 nan 0.000 0.462 211 S N -2.233 113.466 115.700 -0.003 0.000 2.439 211 S HA 0.204 4.675 4.470 0.001 0.000 0.224 211 S C 1.791 176.419 174.600 0.047 0.000 1.029 211 S CA 0.674 58.886 58.200 0.018 0.000 0.946 211 S CB 0.453 63.684 63.200 0.050 0.000 0.797 211 S HN 0.493 nan 8.310 nan 0.000 0.504 212 G N -0.032 108.802 108.800 0.056 0.000 2.176 212 G HA2 -0.283 3.678 3.960 0.001 0.000 0.232 212 G HA3 -0.283 3.678 3.960 0.001 0.000 0.232 212 G C -0.114 174.851 174.900 0.108 0.000 0.986 212 G CA 0.065 45.203 45.100 0.064 0.000 0.643 212 G HN 0.617 nan 8.290 nan 0.000 0.522 213 Y N 3.126 123.406 120.300 -0.033 0.000 2.650 213 Y HA 0.364 4.915 4.550 0.001 0.000 0.331 213 Y C 1.295 177.149 175.900 -0.077 0.000 1.165 213 Y CA -0.160 57.900 58.100 -0.067 0.000 1.473 213 Y CB 0.809 39.185 38.460 -0.141 0.000 1.224 213 Y HN 0.289 nan 8.280 nan 0.000 0.533 214 D N 2.359 122.558 120.400 -0.335 0.000 2.363 214 D HA -0.037 4.603 4.640 0.001 0.000 0.214 214 D C 0.475 176.515 176.300 -0.434 0.000 1.093 214 D CA 0.350 54.179 54.000 -0.286 0.000 0.837 214 D CB 0.161 40.886 40.800 -0.125 0.000 0.948 214 D HN 0.498 nan 8.370 nan 0.000 0.507 215 Q N 0.288 119.568 119.800 -0.866 0.000 2.280 215 Q HA 0.257 4.597 4.340 0.001 0.000 0.202 215 Q C -0.362 175.390 176.000 -0.414 0.000 0.903 215 Q CA -0.106 55.316 55.803 -0.636 0.000 0.948 215 Q CB 1.305 29.682 28.738 -0.601 0.000 1.058 215 Q HN 0.178 nan 8.270 nan 0.000 0.493 216 V N 0.065 119.761 119.914 -0.364 0.000 2.876 216 V HA 0.424 4.544 4.120 0.001 0.000 0.312 216 V C -0.817 175.282 176.094 0.009 0.000 1.085 216 V CA -0.863 61.376 62.300 -0.103 0.000 0.945 216 V CB 2.740 34.450 31.823 -0.190 0.000 1.017 216 V HN -0.192 nan 8.190 nan 0.000 0.428 217 V N 5.250 125.219 119.914 0.091 0.000 2.427 217 V HA 0.449 4.570 4.120 0.001 0.000 0.286 217 V C -0.548 175.684 176.094 0.230 0.000 1.034 217 V CA -0.567 61.809 62.300 0.126 0.000 0.893 217 V CB 1.487 33.329 31.823 0.031 0.000 0.982 217 V HN 0.660 nan 8.190 nan 0.000 0.452 218 F N 5.848 125.828 119.950 0.050 0.000 2.415 218 F HA 0.687 5.215 4.527 0.001 0.000 0.348 218 F C -0.178 175.654 175.800 0.052 0.000 1.119 218 F CA -1.049 56.901 58.000 -0.082 0.000 1.069 218 F CB 1.639 40.621 39.000 -0.030 0.000 1.124 218 F HN 0.306 nan 8.300 nan 0.000 0.472 219 V N 6.154 125.882 119.914 -0.310 0.000 2.483 219 V HA 0.714 4.835 4.120 0.001 0.000 0.297 219 V C -0.815 175.110 176.094 -0.281 0.000 1.027 219 V CA 0.039 62.234 62.300 -0.174 0.000 0.855 219 V CB 1.504 33.302 31.823 -0.040 0.000 0.995 219 V HN 0.970 nan 8.190 nan 0.000 0.424 220 T N 2.862 117.300 114.554 -0.193 0.000 2.855 220 T HA 0.803 5.153 4.350 0.001 0.000 0.281 220 T C -0.295 174.505 174.700 0.166 0.000 1.007 220 T CA -0.315 61.680 62.100 -0.175 0.000 1.009 220 T CB 1.605 70.320 68.868 -0.254 0.000 0.983 220 T HN 1.397 nan 8.240 nan 0.000 0.455 221 S N 1.448 117.219 115.700 0.118 0.000 2.543 221 S HA 0.703 5.174 4.470 0.001 0.000 0.271 221 S C -1.071 173.531 174.600 0.003 0.000 1.148 221 S CA -0.534 57.813 58.200 0.245 0.000 0.914 221 S CB 1.703 65.242 63.200 0.564 0.000 1.096 221 S HN 1.056 nan 8.310 nan 0.000 0.471 222 S N 1.568 117.206 115.700 -0.104 0.000 2.776 222 S HA 0.746 5.216 4.470 0.001 0.000 0.292 222 S C -1.955 172.506 174.600 -0.233 0.000 1.187 222 S CA -0.533 57.532 58.200 -0.225 0.000 0.834 222 S CB 0.457 63.583 63.200 -0.123 0.000 1.199 222 S HN 0.640 nan 8.310 nan 0.000 0.514 223 Y N 1.415 121.727 120.300 0.020 0.000 2.301 223 Y HA 0.595 5.146 4.550 0.001 0.000 0.325 223 Y C 1.266 177.148 175.900 -0.030 0.000 1.203 223 Y CA 0.964 59.069 58.100 0.007 0.000 1.255 223 Y CB 0.608 39.078 38.460 0.018 0.000 1.232 223 Y HN 1.119 nan 8.280 nan 0.000 0.501 224 G N 0.878 109.749 108.800 0.118 0.000 2.610 224 G HA2 -0.168 3.793 3.960 0.001 0.000 0.304 224 G HA3 -0.168 3.793 3.960 0.001 0.000 0.304 224 G C -1.298 173.583 174.900 -0.032 0.000 1.309 224 G CA -1.023 44.095 45.100 0.030 0.000 0.906 224 G HN 0.654 nan 8.290 nan 0.000 0.521 225 L N 0.973 122.181 121.223 -0.026 0.000 2.439 225 L HA 0.462 4.803 4.340 0.001 0.000 0.269 225 L C 2.063 178.878 176.870 -0.093 0.000 1.179 225 L CA 0.327 55.141 54.840 -0.043 0.000 0.828 225 L CB 0.673 42.749 42.059 0.028 0.000 1.106 225 L HN 0.989 nan 8.230 nan 0.000 0.467 226 G N 0.376 109.084 108.800 -0.155 0.000 2.776 226 G HA2 -0.157 3.803 3.960 0.001 0.000 0.209 226 G HA3 -0.157 3.803 3.960 0.001 0.000 0.209 226 G C 1.253 176.063 174.900 -0.150 0.000 1.145 226 G CA -0.011 44.958 45.100 -0.219 0.000 0.791 226 G HN 0.733 nan 8.290 nan 0.000 0.530 227 E N 1.268 121.407 120.200 -0.102 0.000 2.118 227 E HA -0.116 4.235 4.350 0.001 0.000 0.195 227 E C 2.172 178.728 176.600 -0.072 0.000 0.992 227 E CA 1.259 57.608 56.400 -0.085 0.000 0.804 227 E CB -0.391 29.265 29.700 -0.073 0.000 0.741 227 E HN 0.614 nan 8.360 nan 0.000 0.458 228 N N -0.957 117.706 118.700 -0.062 0.000 2.120 228 N HA -0.156 4.584 4.740 0.001 0.000 0.188 228 N C 1.889 177.371 175.510 -0.047 0.000 1.024 228 N CA 1.312 54.336 53.050 -0.044 0.000 0.852 228 N CB 0.012 38.482 38.487 -0.027 0.000 1.003 228 N HN 0.193 nan 8.380 nan 0.000 0.424 229 V N -0.588 119.283 119.914 -0.073 0.000 2.453 229 V HA -0.083 4.037 4.120 0.001 0.000 0.247 229 V C 1.909 177.980 176.094 -0.038 0.000 1.048 229 V CA 1.244 63.506 62.300 -0.063 0.000 1.049 229 V CB -0.497 31.267 31.823 -0.097 0.000 0.672 229 V HN 0.021 nan 8.190 nan 0.000 0.457 230 V N 0.580 120.459 119.914 -0.059 0.000 2.332 230 V HA -0.202 3.919 4.120 0.001 0.000 0.248 230 V C 2.775 178.864 176.094 -0.009 0.000 1.055 230 V CA 2.386 64.666 62.300 -0.032 0.000 1.038 230 V CB -0.831 30.954 31.823 -0.063 0.000 0.651 230 V HN 0.601 nan 8.190 nan 0.000 0.450 231 Q N -0.486 119.299 119.800 -0.024 0.000 2.403 231 Q HA 0.169 4.510 4.340 0.001 0.000 0.203 231 Q C 1.741 177.739 176.000 -0.005 0.000 0.932 231 Q CA 0.817 56.609 55.803 -0.018 0.000 0.945 231 Q CB 0.337 29.054 28.738 -0.034 0.000 1.045 231 Q HN 0.782 nan 8.270 nan 0.000 0.511 232 G N 0.927 109.728 108.800 0.001 0.000 2.198 232 G HA2 -0.340 3.621 3.960 0.001 0.000 0.260 232 G HA3 -0.340 3.621 3.960 0.001 0.000 0.260 232 G C 0.842 175.743 174.900 0.002 0.000 1.025 232 G CA 0.527 45.631 45.100 0.006 0.000 0.769 232 G HN 0.474 nan 8.290 nan 0.000 0.507 233 A N -1.498 121.320 122.820 -0.003 0.000 2.169 233 A HA 0.612 4.933 4.320 0.001 0.000 0.212 233 A C 1.171 178.761 177.584 0.011 0.000 1.153 233 A CA 1.497 53.536 52.037 0.004 0.000 0.756 233 A CB 0.475 19.474 19.000 -0.002 0.000 0.813 233 A HN 1.522 nan 8.150 nan 0.000 0.471 234 V N 0.289 120.201 119.914 -0.004 0.000 2.876 234 V HA 0.317 4.438 4.120 0.001 0.000 0.312 234 V C -0.982 175.087 176.094 -0.041 0.000 1.085 234 V CA -1.144 61.145 62.300 -0.018 0.000 0.945 234 V CB 1.936 33.751 31.823 -0.014 0.000 1.017 234 V HN 0.449 nan 8.190 nan 0.000 0.428 235 N N 6.881 125.532 118.700 -0.082 0.000 2.415 235 N HA 0.387 5.127 4.740 0.001 0.000 0.246 235 N C -2.621 172.839 175.510 -0.083 0.000 1.078 235 N CA -1.244 51.758 53.050 -0.080 0.000 0.942 235 N CB 1.666 40.088 38.487 -0.108 0.000 1.140 235 N HN 0.488 nan 8.380 nan 0.000 0.501 236 P HA 0.255 nan 4.420 nan 0.000 0.281 236 P C -0.993 176.241 177.300 -0.110 0.000 1.281 236 P CA -0.465 62.584 63.100 -0.085 0.000 0.811 236 P CB 1.183 32.833 31.700 -0.084 0.000 1.154 237 D N 0.613 120.934 120.400 -0.132 0.000 2.389 237 D HA 0.159 4.799 4.640 0.001 0.000 0.247 237 D C 0.018 175.958 176.300 -0.599 0.000 1.128 237 D CA 0.636 54.479 54.000 -0.262 0.000 0.884 237 D CB 0.578 41.323 40.800 -0.092 0.000 1.194 237 D HN 0.323 nan 8.370 nan 0.000 0.441 238 E N 1.111 120.870 120.200 -0.736 0.000 2.210 238 E HA 0.474 4.824 4.350 0.001 0.000 0.266 238 E C -0.929 175.219 176.600 -0.754 0.000 0.883 238 E CA -0.687 55.320 56.400 -0.654 0.000 0.761 238 E CB 1.479 31.118 29.700 -0.102 0.000 1.156 238 E HN 0.197 nan 8.360 nan 0.000 0.412 239 F N 1.307 121.189 119.950 -0.113 0.000 2.565 239 F HA 0.432 4.960 4.527 0.001 0.000 0.313 239 F C -0.843 174.925 175.800 -0.053 0.000 1.091 239 F CA -0.882 57.092 58.000 -0.043 0.000 0.915 239 F CB 1.082 40.008 39.000 -0.122 0.000 1.208 239 F HN 0.360 nan 8.300 nan 0.000 0.453 240 Y N 1.320 121.858 120.300 0.396 0.000 2.377 240 Y HA 0.735 5.286 4.550 0.001 0.000 0.339 240 Y C -0.484 175.555 175.900 0.232 0.000 1.011 240 Y CA -1.071 57.247 58.100 0.362 0.000 1.093 240 Y CB 2.114 40.821 38.460 0.412 0.000 1.201 240 Y HN 0.313 nan 8.280 nan 0.000 0.455 241 V N 4.313 124.416 119.914 0.316 0.000 2.656 241 V HA 0.292 4.412 4.120 0.001 0.000 0.307 241 V C -1.051 175.162 176.094 0.199 0.000 1.051 241 V CA -1.079 61.323 62.300 0.170 0.000 0.893 241 V CB 1.916 33.746 31.823 0.013 0.000 0.999 241 V HN 0.507 nan 8.190 nan 0.000 0.426 242 F N 4.091 124.025 119.950 -0.028 0.000 2.411 242 F HA 0.449 4.976 4.527 0.000 0.000 0.355 242 F C 1.302 177.023 175.800 -0.132 0.000 1.117 242 F CA -0.849 57.102 58.000 -0.082 0.000 1.139 242 F CB 1.291 40.237 39.000 -0.089 0.000 1.120 242 F HN 0.524 nan 8.300 nan 0.000 0.493 243 K N 5.054 125.150 120.400 -0.507 0.000 2.026 243 K HA -0.077 4.243 4.320 0.001 0.000 0.208 243 K C -0.900 175.381 176.600 -0.532 0.000 1.048 243 K CA 1.632 57.649 56.287 -0.450 0.000 0.929 243 K CB -1.078 31.206 32.500 -0.360 0.000 0.713 243 K HN 0.426 nan 8.250 nan 0.000 0.439 244 P HA -0.165 nan 4.420 nan 0.000 0.215 244 P C 1.421 178.504 177.300 -0.361 0.000 1.157 244 P CA 1.786 64.545 63.100 -0.568 0.000 0.868 244 P CB -0.203 31.087 31.700 -0.682 0.000 0.788 245 T N -2.875 111.463 114.554 -0.360 0.000 2.985 245 T HA -0.052 4.298 4.350 0.001 0.000 0.266 245 T C 1.756 176.402 174.700 -0.090 0.000 1.076 245 T CA 0.493 62.524 62.100 -0.115 0.000 1.135 245 T CB -1.212 67.676 68.868 0.034 0.000 0.890 245 T HN -0.069 nan 8.240 nan 0.000 0.480 246 L N 1.121 122.259 121.223 -0.142 0.000 2.046 246 L HA 0.065 4.406 4.340 0.001 0.000 0.208 246 L C 2.421 179.248 176.870 -0.072 0.000 1.077 246 L CA 1.764 56.513 54.840 -0.151 0.000 0.747 246 L CB -0.482 41.416 42.059 -0.269 0.000 0.896 246 L HN 0.117 nan 8.230 nan 0.000 0.432 247 K N -0.476 119.868 120.400 -0.093 0.000 2.148 247 K HA -0.009 4.312 4.320 0.001 0.000 0.204 247 K C 1.894 178.487 176.600 -0.011 0.000 1.050 247 K CA 1.090 57.359 56.287 -0.030 0.000 0.942 247 K CB -0.320 32.140 32.500 -0.067 0.000 0.724 247 K HN 0.456 nan 8.250 nan 0.000 0.446 248 A N 0.400 123.202 122.820 -0.029 0.000 2.206 248 A HA 0.160 4.481 4.320 0.001 0.000 0.211 248 A C 1.457 179.042 177.584 0.002 0.000 1.158 248 A CA 0.867 52.898 52.037 -0.011 0.000 0.761 248 A CB -0.404 18.591 19.000 -0.009 0.000 0.801 248 A HN 0.413 nan 8.150 nan 0.000 0.473 249 G N -0.717 108.093 108.800 0.016 0.000 2.143 249 G HA2 -0.251 3.709 3.960 0.001 0.000 0.249 249 G HA3 -0.251 3.709 3.960 0.001 0.000 0.249 249 G C 0.163 175.070 174.900 0.012 0.000 0.981 249 G CA 0.517 45.633 45.100 0.026 0.000 0.665 249 G HN 0.607 nan 8.290 nan 0.000 0.528 250 K N 0.725 121.127 120.400 0.004 0.000 2.098 250 K HA 0.507 4.828 4.320 0.001 0.000 0.257 250 K C -2.435 174.163 176.600 -0.003 0.000 0.999 250 K CA -1.905 54.384 56.287 0.003 0.000 0.924 250 K CB 0.872 33.379 32.500 0.011 0.000 1.028 250 K HN -0.013 nan 8.250 nan 0.000 0.466 251 P HA -0.004 nan 4.420 nan 0.000 0.267 251 P C -0.793 176.508 177.300 0.001 0.000 1.209 251 P CA 0.175 63.267 63.100 -0.012 0.000 0.763 251 P CB 0.840 32.533 31.700 -0.011 0.000 0.816 252 A N 3.739 126.554 122.820 -0.007 0.000 2.628 252 A HA 0.260 4.580 4.320 0.001 0.000 0.267 252 A C 0.492 178.109 177.584 0.055 0.000 1.159 252 A CA -0.158 51.900 52.037 0.034 0.000 0.972 252 A CB -0.195 18.803 19.000 -0.004 0.000 1.211 252 A HN 0.465 nan 8.150 nan 0.000 0.576 253 I N 1.533 122.113 120.570 0.017 0.000 2.379 253 I HA 0.123 4.294 4.170 0.001 0.000 0.290 253 I C 0.881 177.047 176.117 0.082 0.000 1.063 253 I CA 0.019 61.341 61.300 0.038 0.000 1.351 253 I CB 1.180 39.153 38.000 -0.045 0.000 1.410 253 I HN 0.232 nan 8.210 nan 0.000 0.505 254 L N 5.684 127.000 121.223 0.154 0.000 2.416 254 L HA 0.276 4.616 4.340 0.001 0.000 0.216 254 L C 0.913 177.872 176.870 0.147 0.000 1.098 254 L CA 0.266 55.185 54.840 0.132 0.000 0.840 254 L CB -0.040 42.118 42.059 0.166 0.000 0.981 254 L HN 0.574 nan 8.230 nan 0.000 0.462 255 R N 0.506 121.147 120.500 0.235 0.000 2.563 255 R HA 0.319 4.660 4.340 0.001 0.000 0.262 255 R C -1.669 174.828 176.300 0.329 0.000 1.128 255 R CA -0.518 55.738 56.100 0.260 0.000 0.969 255 R CB 1.469 31.943 30.300 0.289 0.000 1.251 255 R HN -0.125 nan 8.270 nan 0.000 0.442 256 K N 2.472 123.048 120.400 0.293 0.000 2.463 256 K HA 0.386 4.706 4.320 0.001 0.000 0.255 256 K C -1.348 175.457 176.600 0.342 0.000 0.942 256 K CA -0.799 55.664 56.287 0.294 0.000 0.814 256 K CB 2.575 35.131 32.500 0.093 0.000 1.122 256 K HN 0.415 nan 8.250 nan 0.000 0.425 257 T N 3.134 117.823 114.554 0.225 0.000 2.815 257 T HA 0.271 4.622 4.350 0.001 0.000 0.289 257 T C -0.353 174.522 174.700 0.292 0.000 1.000 257 T CA -0.588 61.672 62.100 0.266 0.000 0.958 257 T CB 0.809 69.774 68.868 0.163 0.000 0.944 257 T HN 0.460 nan 8.240 nan 0.000 0.442 258 M N 3.217 123.030 119.600 0.355 0.000 2.219 258 M HA 0.444 4.925 4.480 0.001 0.000 0.353 258 M C 0.677 176.991 176.300 0.023 0.000 1.304 258 M CA -0.031 55.332 55.300 0.104 0.000 1.115 258 M CB 0.178 32.640 32.600 -0.230 0.000 1.664 258 M HN 0.746 nan 8.290 nan 0.000 0.459 259 G N 1.781 110.571 108.800 -0.016 0.000 2.476 259 G HA2 0.323 4.283 3.960 0.001 0.000 0.286 259 G HA3 0.323 4.283 3.960 0.001 0.000 0.286 259 G C 0.651 175.513 174.900 -0.063 0.000 1.177 259 G CA -0.201 44.871 45.100 -0.047 0.000 0.870 259 G HN 0.911 nan 8.290 nan 0.000 0.528 260 S N -0.045 115.585 115.700 -0.117 0.000 2.428 260 S HA -0.027 4.443 4.470 0.001 0.000 0.230 260 S C 1.073 175.577 174.600 -0.160 0.000 1.014 260 S CA 0.836 58.933 58.200 -0.171 0.000 0.957 260 S CB -0.278 62.703 63.200 -0.365 0.000 0.784 260 S HN 0.710 nan 8.310 nan 0.000 0.499 261 K N 0.733 121.039 120.400 -0.157 0.000 3.451 261 K HA -0.248 4.072 4.320 0.001 0.000 0.273 261 K C 0.156 176.816 176.600 0.099 0.000 0.944 261 K CA 0.839 57.124 56.287 -0.004 0.000 0.734 261 K CB -1.994 30.566 32.500 0.100 0.000 1.437 261 K HN 0.712 nan 8.250 nan 0.000 0.454 262 H N -0.453 118.655 119.070 0.062 0.000 2.389 262 H HA -0.065 4.491 4.556 0.001 0.000 0.299 262 H C 1.108 176.465 175.328 0.048 0.000 1.081 262 H CA 1.162 57.239 56.048 0.049 0.000 1.345 262 H CB 0.085 29.866 29.762 0.032 0.000 1.393 262 H HN 0.484 nan 8.280 nan 0.000 0.520 263 I N -1.457 119.222 120.570 0.181 0.000 3.042 263 I HA 0.419 4.590 4.170 0.001 0.000 0.310 263 I C -1.277 174.900 176.117 0.100 0.000 1.117 263 I CA -1.372 59.997 61.300 0.115 0.000 1.003 263 I CB 2.496 40.550 38.000 0.090 0.000 1.228 263 I HN -0.049 nan 8.210 nan 0.000 0.443 264 K N 3.113 123.558 120.400 0.077 0.000 2.523 264 K HA 0.602 4.922 4.320 0.001 0.000 0.257 264 K C -1.567 175.061 176.600 0.047 0.000 0.932 264 K CA -0.869 55.462 56.287 0.073 0.000 0.812 264 K CB 2.218 34.779 32.500 0.102 0.000 1.326 264 K HN 0.857 nan 8.250 nan 0.000 0.433 265 M N 5.150 124.773 119.600 0.038 0.000 2.146 265 M HA 0.376 4.856 4.480 0.001 0.000 0.357 265 M C -0.831 175.503 176.300 0.056 0.000 1.261 265 M CA -0.606 54.721 55.300 0.044 0.000 1.106 265 M CB 0.427 33.047 32.600 0.033 0.000 1.612 265 M HN 0.827 nan 8.290 nan 0.000 0.470 266 I N 0.228 120.849 120.570 0.084 0.000 3.322 266 I HA 0.623 4.793 4.170 0.001 0.000 0.313 266 I C -1.303 174.983 176.117 0.281 0.000 1.129 266 I CA -1.110 60.244 61.300 0.090 0.000 0.963 266 I CB 1.507 39.525 38.000 0.029 0.000 1.273 266 I HN 0.349 nan 8.210 nan 0.000 0.473 267 F N 1.441 121.392 119.950 0.001 0.000 2.382 267 F HA 0.485 5.013 4.527 0.001 0.000 0.331 267 F C 0.978 176.780 175.800 0.003 0.000 1.121 267 F CA -1.034 56.967 58.000 0.003 0.000 1.183 267 F CB 1.395 40.398 39.000 0.006 0.000 1.207 267 F HN 0.631 nan 8.300 nan 0.000 0.555 268 T N -2.031 112.617 114.554 0.155 0.000 2.943 268 T HA 0.316 4.666 4.350 0.001 0.000 0.284 268 T C 0.313 175.053 174.700 0.066 0.000 1.015 268 T CA -0.853 61.297 62.100 0.082 0.000 1.042 268 T CB 1.366 70.254 68.868 0.034 0.000 1.055 268 T HN 0.420 nan 8.240 nan 0.000 0.500 269 D N 0.468 120.900 120.400 0.053 0.000 2.349 269 D HA 0.140 4.781 4.640 0.001 0.000 0.224 269 D C 0.823 177.131 176.300 0.013 0.000 1.029 269 D CA 0.379 54.402 54.000 0.038 0.000 0.879 269 D CB 0.003 40.824 40.800 0.037 0.000 0.906 269 D HN 0.795 nan 8.370 nan 0.000 0.528 270 K N 0.625 121.028 120.400 0.005 0.000 3.084 270 K HA 0.651 4.971 4.320 0.001 0.000 0.172 270 K C -0.195 176.394 176.600 -0.018 0.000 1.078 270 K CA -0.529 55.755 56.287 -0.004 0.000 0.875 270 K CB 0.386 32.887 32.500 0.002 0.000 1.064 270 K HN 0.102 nan 8.250 nan 0.000 0.597 271 A N 2.066 124.867 122.820 -0.032 0.000 2.736 271 A HA 0.490 4.811 4.320 0.001 0.000 0.335 271 A C 0.838 178.389 177.584 -0.054 0.000 1.446 271 A CA -0.404 51.603 52.037 -0.050 0.000 1.028 271 A CB 0.106 19.061 19.000 -0.075 0.000 1.154 271 A HN 0.494 nan 8.150 nan 0.000 0.507 272 E N 1.457 121.629 120.200 -0.047 0.000 2.008 272 E HA -0.045 4.305 4.350 0.001 0.000 0.191 272 E C 1.505 178.061 176.600 -0.074 0.000 0.986 272 E CA 1.733 58.101 56.400 -0.053 0.000 0.807 272 E CB -0.095 29.581 29.700 -0.040 0.000 0.766 272 E HN 0.715 nan 8.360 nan 0.000 0.450 273 A N -0.368 122.408 122.820 -0.074 0.000 1.748 273 A HA 0.410 4.730 4.320 0.001 0.000 0.171 273 A C 1.913 179.462 177.584 -0.060 0.000 1.736 273 A CA 0.558 52.526 52.037 -0.114 0.000 1.179 273 A CB -0.266 18.644 19.000 -0.151 0.000 0.961 273 A HN 0.250 nan 8.150 nan 0.000 0.653 274 G N -0.172 108.629 108.800 0.003 0.000 3.126 274 G HA2 0.192 4.153 3.960 0.001 0.000 0.224 274 G HA3 0.192 4.153 3.960 0.001 0.000 0.224 274 G C 0.721 175.632 174.900 0.019 0.000 1.142 274 G CA 0.148 45.303 45.100 0.092 0.000 0.759 274 G HN 0.292 nan 8.290 nan 0.000 0.550 275 K N 1.442 121.838 120.400 -0.007 0.000 2.522 275 K HA 0.035 4.356 4.320 0.001 0.000 0.194 275 K C 1.919 178.507 176.600 -0.020 0.000 1.026 275 K CA 0.434 56.713 56.287 -0.013 0.000 1.119 275 K CB 0.397 32.887 32.500 -0.016 0.000 0.856 275 K HN 0.392 nan 8.250 nan 0.000 0.513 276 S N 0.086 115.765 115.700 -0.034 0.000 2.481 276 S HA -0.023 4.447 4.470 0.001 0.000 0.231 276 S C 1.123 175.679 174.600 -0.072 0.000 0.996 276 S CA -0.119 58.035 58.200 -0.076 0.000 0.942 276 S CB -0.537 62.592 63.200 -0.118 0.000 0.768 276 S HN 0.123 nan 8.310 nan 0.000 0.520 277 V N -2.594 117.308 119.914 -0.019 0.000 2.962 277 V HA 0.901 5.021 4.120 0.001 0.000 0.313 277 V C -0.579 175.535 176.094 0.034 0.000 1.099 277 V CA -0.480 61.842 62.300 0.037 0.000 0.971 277 V CB 1.593 33.444 31.823 0.046 0.000 1.028 277 V HN 0.103 nan 8.190 nan 0.000 0.430 278 T N 1.750 116.337 114.554 0.054 0.000 2.868 278 T HA 0.505 4.855 4.350 0.001 0.000 0.306 278 T C -1.016 173.706 174.700 0.037 0.000 1.224 278 T CA -0.564 61.556 62.100 0.035 0.000 1.012 278 T CB 1.804 70.690 68.868 0.030 0.000 1.221 278 T HN 0.991 nan 8.240 nan 0.000 0.499 279 N N 0.660 119.375 118.700 0.025 0.000 2.473 279 N HA 0.701 5.441 4.740 0.001 0.000 0.291 279 N C -1.334 174.191 175.510 0.025 0.000 1.083 279 N CA -0.491 52.575 53.050 0.027 0.000 0.951 279 N CB 1.734 40.234 38.487 0.023 0.000 1.164 279 N HN 0.277 nan 8.380 nan 0.000 0.480 280 V N 1.082 121.013 119.914 0.028 0.000 2.971 280 V HA 0.206 4.327 4.120 0.001 0.000 0.309 280 V C -0.898 175.211 176.094 0.025 0.000 1.130 280 V CA -0.934 61.378 62.300 0.021 0.000 0.964 280 V CB 2.362 34.195 31.823 0.016 0.000 1.029 280 V HN 0.650 nan 8.190 nan 0.000 0.427 281 D N 1.666 122.077 120.400 0.017 0.000 2.414 281 D HA 0.218 4.858 4.640 0.001 0.000 0.242 281 D C -0.249 176.061 176.300 0.016 0.000 1.129 281 D CA 0.243 54.257 54.000 0.023 0.000 0.885 281 D CB 1.929 42.733 40.800 0.007 0.000 1.198 281 D HN 0.200 nan 8.370 nan 0.000 0.437 282 V N 4.689 124.626 119.914 0.038 0.000 2.530 282 V HA 0.147 4.268 4.120 0.001 0.000 0.282 282 V C -1.780 174.306 176.094 -0.013 0.000 1.048 282 V CA -1.282 61.020 62.300 0.003 0.000 0.997 282 V CB 1.155 33.022 31.823 0.073 0.000 0.987 282 V HN 0.445 nan 8.190 nan 0.000 0.477 283 P HA 0.122 nan 4.420 nan 0.000 0.271 283 P C 0.693 177.977 177.300 -0.026 0.000 1.244 283 P CA -0.242 62.831 63.100 -0.045 0.000 0.793 283 P CB 0.752 32.410 31.700 -0.071 0.000 0.984 284 E N 0.361 120.555 120.200 -0.010 0.000 2.230 284 E HA -0.106 4.245 4.350 0.001 0.000 0.192 284 E C 1.559 178.164 176.600 0.009 0.000 0.987 284 E CA 0.676 57.083 56.400 0.011 0.000 0.841 284 E CB -0.059 29.648 29.700 0.011 0.000 0.783 284 E HN 0.503 nan 8.360 nan 0.000 0.481 285 E N 1.321 121.517 120.200 -0.006 0.000 2.054 285 E HA -0.242 4.108 4.350 0.001 0.000 0.225 285 E C 1.508 178.111 176.600 0.005 0.000 1.048 285 E CA 2.391 58.787 56.400 -0.007 0.000 0.899 285 E CB 0.043 29.727 29.700 -0.027 0.000 0.801 285 E HN 0.135 nan 8.360 nan 0.000 0.495 286 D N -0.565 119.808 120.400 -0.045 0.000 2.178 286 D HA -0.138 4.502 4.640 0.001 0.000 0.201 286 D C 2.014 178.436 176.300 0.202 0.000 0.980 286 D CA 0.763 54.745 54.000 -0.031 0.000 0.842 286 D CB -0.268 40.182 40.800 -0.583 0.000 0.948 286 D HN 0.164 nan 8.370 nan 0.000 0.472 287 R N 0.355 120.930 120.500 0.125 0.000 2.081 287 R HA -0.019 4.321 4.340 0.001 0.000 0.235 287 R C 1.062 177.416 176.300 0.091 0.000 1.131 287 R CA 0.924 57.117 56.100 0.156 0.000 0.960 287 R CB -0.032 30.336 30.300 0.113 0.000 0.856 287 R HN 0.179 nan 8.270 nan 0.000 0.436 288 N N 0.562 119.289 118.700 0.044 0.000 2.268 288 N HA 0.024 4.765 4.740 0.001 0.000 0.204 288 N C -0.083 175.389 175.510 -0.063 0.000 1.124 288 N CA 0.194 53.232 53.050 -0.020 0.000 0.838 288 N CB 0.488 38.970 38.487 -0.008 0.000 0.994 288 N HN -0.012 nan 8.380 nan 0.000 0.489 289 R N -0.399 120.104 120.500 0.004 0.000 2.596 289 R HA 0.395 4.735 4.340 0.001 0.000 0.267 289 R C -0.437 175.845 176.300 -0.031 0.000 1.026 289 R CA -0.490 55.611 56.100 0.003 0.000 1.087 289 R CB 0.526 30.910 30.300 0.140 0.000 1.132 289 R HN -0.142 nan 8.270 nan 0.000 0.531 290 F N 0.230 120.250 119.950 0.117 0.000 2.443 290 F HA 0.078 4.605 4.527 0.001 0.000 0.353 290 F C 1.610 177.471 175.800 0.101 0.000 1.101 290 F CA 0.168 58.249 58.000 0.135 0.000 1.226 290 F CB 1.262 40.358 39.000 0.160 0.000 1.140 290 F HN 0.635 nan 8.300 nan 0.000 0.557 291 S N 2.516 118.341 115.700 0.208 0.000 2.470 291 S HA 0.153 4.623 4.470 0.001 0.000 0.225 291 S C 0.398 175.061 174.600 0.106 0.000 1.006 291 S CA 0.193 58.349 58.200 -0.073 0.000 0.934 291 S CB -0.686 62.148 63.200 -0.611 0.000 0.778 291 S HN 0.511 nan 8.310 nan 0.000 0.517 292 I N -0.383 120.272 120.570 0.142 0.000 2.892 292 I HA 0.669 4.840 4.170 0.001 0.000 0.306 292 I C -0.262 175.794 176.117 -0.100 0.000 1.078 292 I CA -1.152 60.164 61.300 0.027 0.000 1.032 292 I CB 2.010 39.994 38.000 -0.028 0.000 1.229 292 I HN 0.015 nan 8.210 nan 0.000 0.435 293 T N -1.252 113.224 114.554 -0.130 0.000 2.874 293 T HA 0.250 4.601 4.350 0.001 0.000 0.281 293 T C 0.504 175.029 174.700 -0.292 0.000 0.994 293 T CA -0.290 61.710 62.100 -0.168 0.000 1.015 293 T CB 1.357 70.168 68.868 -0.094 0.000 1.028 293 T HN 0.639 nan 8.240 nan 0.000 0.523 294 D N 0.696 120.931 120.400 -0.274 0.000 2.104 294 D HA -0.086 4.554 4.640 0.001 0.000 0.194 294 D C 1.986 178.144 176.300 -0.235 0.000 0.994 294 D CA 1.450 55.275 54.000 -0.292 0.000 0.830 294 D CB -0.268 40.408 40.800 -0.208 0.000 0.959 294 D HN 0.737 nan 8.370 nan 0.000 0.452 295 E N 0.832 120.930 120.200 -0.170 0.000 2.097 295 E HA -0.178 4.172 4.350 0.001 0.000 0.196 295 E C 2.040 178.536 176.600 -0.174 0.000 1.000 295 E CA 1.066 57.382 56.400 -0.140 0.000 0.804 295 E CB -0.184 29.458 29.700 -0.098 0.000 0.740 295 E HN 0.454 nan 8.360 nan 0.000 0.454 296 E N 0.172 120.253 120.200 -0.198 0.000 2.028 296 E HA -0.131 4.219 4.350 0.001 0.000 0.191 296 E C 2.181 178.574 176.600 -0.345 0.000 0.988 296 E CA 0.946 57.203 56.400 -0.238 0.000 0.799 296 E CB -0.206 29.372 29.700 -0.203 0.000 0.755 296 E HN 0.230 nan 8.360 nan 0.000 0.447 297 I N 1.165 121.487 120.570 -0.413 0.000 2.185 297 I HA -0.348 3.822 4.170 0.001 0.000 0.246 297 I C 2.395 178.301 176.117 -0.351 0.000 1.088 297 I CA 1.406 62.433 61.300 -0.456 0.000 1.347 297 I CB -0.560 37.092 38.000 -0.581 0.000 1.041 297 I HN 0.157 nan 8.210 nan 0.000 0.415 298 T N -0.497 113.880 114.554 -0.295 0.000 2.812 298 T HA -0.194 4.157 4.350 0.001 0.000 0.264 298 T C 1.832 176.382 174.700 -0.250 0.000 1.042 298 T CA 1.306 63.252 62.100 -0.257 0.000 1.140 298 T CB -0.208 68.559 68.868 -0.168 0.000 0.870 298 T HN 0.411 nan 8.240 nan 0.000 0.445 299 E N 0.601 120.659 120.200 -0.238 0.000 2.077 299 E HA -0.089 4.262 4.350 0.001 0.000 0.193 299 E C 2.139 178.391 176.600 -0.580 0.000 0.989 299 E CA 0.784 56.985 56.400 -0.332 0.000 0.800 299 E CB -0.153 29.373 29.700 -0.289 0.000 0.746 299 E HN 0.421 nan 8.360 nan 0.000 0.452 300 L N 0.196 121.173 121.223 -0.411 0.000 2.056 300 L HA -0.153 4.187 4.340 0.001 0.000 0.207 300 L C 2.635 179.351 176.870 -0.257 0.000 1.078 300 L CA 1.025 55.679 54.840 -0.311 0.000 0.749 300 L CB -0.414 41.345 42.059 -0.499 0.000 0.901 300 L HN 0.192 nan 8.230 nan 0.000 0.433 301 A N -0.650 121.993 122.820 -0.296 0.000 1.933 301 A HA -0.262 4.058 4.320 0.001 0.000 0.218 301 A C 1.939 179.370 177.584 -0.254 0.000 1.175 301 A CA 1.715 53.600 52.037 -0.253 0.000 0.628 301 A CB -0.887 17.943 19.000 -0.284 0.000 0.814 301 A HN 0.470 nan 8.150 nan 0.000 0.444 302 H N -2.351 116.565 119.070 -0.256 0.000 2.352 302 H HA -0.170 4.386 4.556 0.001 0.000 0.299 302 H C 1.908 177.145 175.328 -0.152 0.000 1.097 302 H CA 2.183 58.086 56.048 -0.242 0.000 1.311 302 H CB -0.195 29.358 29.762 -0.347 0.000 1.377 302 H HN 0.609 nan 8.280 nan 0.000 0.504 303 Y N 0.221 120.542 120.300 0.034 0.000 2.181 303 Y HA -0.174 4.377 4.550 0.001 0.000 0.288 303 Y C 2.670 178.571 175.900 0.002 0.000 1.146 303 Y CA 0.704 58.803 58.100 -0.001 0.000 1.164 303 Y CB -0.995 37.444 38.460 -0.035 0.000 0.982 303 Y HN 0.253 nan 8.280 nan 0.000 0.515 304 A N 0.226 123.116 122.820 0.117 0.000 1.908 304 A HA -0.171 4.150 4.320 0.001 0.000 0.218 304 A C 2.332 179.955 177.584 0.066 0.000 1.181 304 A CA 1.835 53.913 52.037 0.067 0.000 0.627 304 A CB -1.092 17.914 19.000 0.009 0.000 0.818 304 A HN 0.466 nan 8.150 nan 0.000 0.445 305 L N -0.748 120.499 121.223 0.040 0.000 2.072 305 L HA -0.114 4.227 4.340 0.001 0.000 0.205 305 L C 3.017 179.931 176.870 0.073 0.000 1.079 305 L CA 1.784 56.645 54.840 0.035 0.000 0.752 305 L CB -1.010 41.046 42.059 -0.005 0.000 0.906 305 L HN 0.643 nan 8.230 nan 0.000 0.436 306 T N -0.715 113.896 114.554 0.096 0.000 2.788 306 T HA -0.146 4.205 4.350 0.001 0.000 0.268 306 T C 1.804 176.583 174.700 0.132 0.000 1.044 306 T CA 1.069 63.230 62.100 0.102 0.000 1.139 306 T CB -0.285 68.643 68.868 0.099 0.000 0.867 306 T HN 0.204 nan 8.240 nan 0.000 0.454 307 I N 1.158 121.821 120.570 0.156 0.000 2.179 307 I HA -0.089 4.081 4.170 0.001 0.000 0.242 307 I C 2.830 179.139 176.117 0.319 0.000 1.088 307 I CA 1.970 63.414 61.300 0.239 0.000 1.357 307 I CB -0.422 37.708 38.000 0.216 0.000 1.051 307 I HN 0.456 nan 8.210 nan 0.000 0.409 308 E N 1.519 121.838 120.200 0.199 0.000 2.106 308 E HA -0.271 4.080 4.350 0.001 0.000 0.192 308 E C 2.242 178.927 176.600 0.141 0.000 0.984 308 E CA 1.105 57.605 56.400 0.167 0.000 0.806 308 E CB 0.014 29.766 29.700 0.088 0.000 0.750 308 E HN 0.312 nan 8.360 nan 0.000 0.458 309 K N 0.100 120.566 120.400 0.109 0.000 2.057 309 K HA -0.236 4.084 4.320 0.001 0.000 0.207 309 K C 2.376 179.017 176.600 0.068 0.000 1.049 309 K CA 1.608 57.938 56.287 0.071 0.000 0.931 309 K CB -0.328 32.207 32.500 0.057 0.000 0.714 309 K HN 0.322 nan 8.250 nan 0.000 0.440 310 H N -0.674 118.399 119.070 0.004 0.000 2.293 310 H HA -0.150 4.407 4.556 0.001 0.000 0.300 310 H C 1.555 176.799 175.328 -0.139 0.000 1.082 310 H CA 2.016 58.005 56.048 -0.100 0.000 1.308 310 H CB -0.046 29.600 29.762 -0.193 0.000 1.375 310 H HN 0.266 nan 8.280 nan 0.000 0.495 311 Y N 0.004 120.314 120.300 0.017 0.000 2.509 311 Y HA 0.068 4.619 4.550 0.001 0.000 0.293 311 Y C 2.045 177.915 175.900 -0.050 0.000 1.133 311 Y CA 0.796 58.878 58.100 -0.030 0.000 1.283 311 Y CB -0.039 38.453 38.460 0.054 0.000 1.001 311 Y HN 0.484 nan 8.280 nan 0.000 0.555 312 G N 1.075 109.931 108.800 0.094 0.000 2.198 312 G HA2 -0.311 3.649 3.960 0.001 0.000 0.260 312 G HA3 -0.311 3.649 3.960 0.001 0.000 0.260 312 G C 0.039 174.979 174.900 0.067 0.000 1.025 312 G CA 0.512 45.641 45.100 0.050 0.000 0.769 312 G HN 0.571 nan 8.290 nan 0.000 0.507 313 R N -2.565 117.992 120.500 0.094 0.000 2.728 313 R HA 0.647 4.987 4.340 0.001 0.000 0.274 313 R C -3.433 172.901 176.300 0.057 0.000 1.030 313 R CA -2.052 54.086 56.100 0.063 0.000 0.876 313 R CB 0.200 30.533 30.300 0.055 0.000 1.259 313 R HN -0.007 nan 8.270 nan 0.000 0.468 314 P HA 0.073 nan 4.420 nan 0.000 0.265 314 P C -0.858 176.465 177.300 0.039 0.000 1.193 314 P CA 0.178 63.308 63.100 0.050 0.000 0.765 314 P CB 0.470 32.204 31.700 0.057 0.000 0.823 315 M N 2.324 121.949 119.600 0.041 0.000 2.464 315 M HA 0.317 4.798 4.480 0.001 0.000 0.308 315 M C -0.503 175.792 176.300 -0.007 0.000 1.127 315 M CA -0.924 54.367 55.300 -0.014 0.000 0.913 315 M CB 1.937 34.513 32.600 -0.040 0.000 1.689 315 M HN 0.221 nan 8.290 nan 0.000 0.445 316 D N 3.217 123.572 120.400 -0.076 0.000 2.381 316 D HA 0.649 5.290 4.640 0.001 0.000 0.235 316 D C -1.452 174.693 176.300 -0.258 0.000 1.068 316 D CA -0.189 53.667 54.000 -0.241 0.000 0.832 316 D CB 0.681 41.440 40.800 -0.070 0.000 1.101 316 D HN 0.537 nan 8.370 nan 0.000 0.515 317 I N 2.350 122.731 120.570 -0.314 0.000 2.498 317 I HA 0.278 4.449 4.170 0.001 0.000 0.290 317 I C 0.295 176.350 176.117 -0.104 0.000 1.032 317 I CA -0.843 60.370 61.300 -0.144 0.000 1.073 317 I CB 2.238 40.210 38.000 -0.046 0.000 1.251 317 I HN 0.219 nan 8.210 nan 0.000 0.426 318 E N 6.327 126.488 120.200 -0.066 0.000 2.216 318 E HA 0.386 4.737 4.350 0.001 0.000 0.279 318 E C -1.553 175.075 176.600 0.048 0.000 0.997 318 E CA -0.538 55.814 56.400 -0.080 0.000 0.817 318 E CB 1.804 31.435 29.700 -0.116 0.000 1.096 318 E HN 0.510 nan 8.360 nan 0.000 0.393 319 W N 1.143 122.416 121.300 -0.044 0.000 3.062 319 W HA 0.736 5.397 4.660 0.001 0.000 0.336 319 W C -1.203 175.329 176.519 0.022 0.000 1.224 319 W CA -1.159 56.186 57.345 -0.000 0.000 1.159 319 W CB 1.040 30.506 29.460 0.011 0.000 1.454 319 W HN 0.625 nan 8.180 nan 0.000 0.569 320 G N 1.526 110.532 108.800 0.343 0.000 2.719 320 G HA2 0.495 4.455 3.960 0.001 0.000 0.298 320 G HA3 0.495 4.455 3.960 0.001 0.000 0.298 320 G C -2.053 173.119 174.900 0.454 0.000 1.411 320 G CA -1.266 43.943 45.100 0.182 0.000 0.991 320 G HN 0.592 nan 8.290 nan 0.000 0.509 321 R N 1.950 122.700 120.500 0.416 0.000 2.207 321 R HA 0.210 4.550 4.340 0.001 0.000 0.334 321 R C -0.922 175.511 176.300 0.221 0.000 1.013 321 R CA -0.624 55.688 56.100 0.354 0.000 0.858 321 R CB 0.877 31.382 30.300 0.342 0.000 1.094 321 R HN 0.510 nan 8.270 nan 0.000 0.457 322 D N 3.404 123.947 120.400 0.238 0.000 2.358 322 D HA 0.001 4.642 4.640 0.001 0.000 0.258 322 D C 0.868 177.228 176.300 0.100 0.000 1.223 322 D CA 0.302 54.382 54.000 0.134 0.000 0.886 322 D CB 1.297 42.203 40.800 0.177 0.000 1.120 322 D HN 0.855 nan 8.370 nan 0.000 0.482 323 G N 3.683 112.510 108.800 0.045 0.000 2.471 323 G HA2 -0.181 3.780 3.960 0.001 0.000 0.219 323 G HA3 -0.181 3.780 3.960 0.001 0.000 0.219 323 G C 1.381 176.297 174.900 0.027 0.000 1.125 323 G CA 0.360 45.481 45.100 0.034 0.000 0.775 323 G HN 0.431 nan 8.290 nan 0.000 0.548 324 L N 0.879 122.114 121.223 0.021 0.000 2.013 324 L HA 0.170 4.511 4.340 0.001 0.000 0.204 324 L C 2.396 179.298 176.870 0.053 0.000 1.081 324 L CA 1.517 56.373 54.840 0.027 0.000 0.751 324 L CB -1.047 41.022 42.059 0.017 0.000 0.901 324 L HN 0.016 nan 8.230 nan 0.000 0.440 325 D N -0.308 120.141 120.400 0.082 0.000 2.116 325 D HA -0.074 4.567 4.640 0.001 0.000 0.193 325 D C 1.816 178.173 176.300 0.096 0.000 0.998 325 D CA 1.963 56.028 54.000 0.109 0.000 0.836 325 D CB -0.346 40.571 40.800 0.196 0.000 0.951 325 D HN 0.479 nan 8.370 nan 0.000 0.449 326 G N -0.605 108.260 108.800 0.107 0.000 2.217 326 G HA2 -0.311 3.649 3.960 0.001 0.000 0.246 326 G HA3 -0.311 3.649 3.960 0.001 0.000 0.246 326 G C 0.266 175.232 174.900 0.109 0.000 0.990 326 G CA 0.294 45.450 45.100 0.094 0.000 0.627 326 G HN 0.374 nan 8.290 nan 0.000 0.522 327 K N 0.173 120.659 120.400 0.144 0.000 2.144 327 K HA 0.672 4.992 4.320 0.001 0.000 0.270 327 K C 0.310 176.974 176.600 0.106 0.000 1.005 327 K CA -0.586 55.743 56.287 0.070 0.000 0.932 327 K CB 1.250 33.740 32.500 -0.017 0.000 1.021 327 K HN 0.181 nan 8.250 nan 0.000 0.462 328 L N 3.526 124.739 121.223 -0.016 0.000 2.292 328 L HA 0.346 4.686 4.340 0.001 0.000 0.284 328 L C -0.773 175.975 176.870 -0.203 0.000 1.065 328 L CA -0.540 54.345 54.840 0.075 0.000 0.806 328 L CB 0.209 42.352 42.059 0.139 0.000 1.175 328 L HN 0.499 nan 8.230 nan 0.000 0.431 329 Y N 2.805 123.154 120.300 0.080 0.000 2.524 329 Y HA 0.507 5.058 4.550 0.001 0.000 0.344 329 Y C -0.256 175.670 175.900 0.044 0.000 1.012 329 Y CA -0.900 57.203 58.100 0.004 0.000 1.068 329 Y CB 2.047 40.522 38.460 0.025 0.000 1.249 329 Y HN 0.289 nan 8.280 nan 0.000 0.468 330 I N 2.684 123.310 120.570 0.093 0.000 2.321 330 I HA 0.130 4.300 4.170 0.001 0.000 0.291 330 I C 0.069 176.231 176.117 0.075 0.000 0.998 330 I CA 0.054 61.405 61.300 0.085 0.000 1.227 330 I CB 1.267 39.263 38.000 -0.007 0.000 1.368 330 I HN 0.614 nan 8.210 nan 0.000 0.466 331 L N 4.746 126.001 121.223 0.054 0.000 2.286 331 L HA 0.271 4.612 4.340 0.001 0.000 0.203 331 L C 0.440 177.278 176.870 -0.054 0.000 1.068 331 L CA 1.145 55.986 54.840 0.001 0.000 0.811 331 L CB -0.371 41.675 42.059 -0.021 0.000 0.989 331 L HN 0.494 nan 8.230 nan 0.000 0.467 332 Q N -1.231 118.535 119.800 -0.057 0.000 2.418 332 Q HA 0.748 5.089 4.340 0.001 0.000 0.282 332 Q C -1.400 174.552 176.000 -0.079 0.000 1.044 332 Q CA -0.472 55.279 55.803 -0.087 0.000 0.813 332 Q CB 2.739 31.420 28.738 -0.095 0.000 1.428 332 Q HN 0.006 nan 8.270 nan 0.000 0.402 333 A N 1.727 124.487 122.820 -0.099 0.000 2.459 333 A HA 0.818 5.138 4.320 0.001 0.000 0.296 333 A C -0.973 176.496 177.584 -0.193 0.000 1.039 333 A CA -0.703 51.257 52.037 -0.130 0.000 0.698 333 A CB 1.563 20.504 19.000 -0.098 0.000 1.261 333 A HN 0.756 nan 8.150 nan 0.000 0.405 334 R N 1.291 121.676 120.500 -0.193 0.000 2.799 334 R HA 0.776 5.116 4.340 0.001 0.000 0.270 334 R C -3.245 172.951 176.300 -0.174 0.000 1.010 334 R CA -1.950 54.030 56.100 -0.200 0.000 0.916 334 R CB 1.057 31.294 30.300 -0.106 0.000 1.228 334 R HN 0.329 nan 8.270 nan 0.000 0.469 335 P HA -0.068 nan 4.420 nan 0.000 0.266 335 P C -0.120 177.176 177.300 -0.006 0.000 1.193 335 P CA 0.061 63.115 63.100 -0.076 0.000 0.770 335 P CB 0.588 32.260 31.700 -0.048 0.000 0.836 336 E N 0.350 120.572 120.200 0.037 0.000 2.371 336 E HA -0.008 4.342 4.350 0.001 0.000 0.194 336 E C 0.433 177.076 176.600 0.072 0.000 1.012 336 E CA 0.987 57.446 56.400 0.098 0.000 0.860 336 E CB 0.435 30.220 29.700 0.143 0.000 0.811 336 E HN 0.380 nan 8.360 nan 0.000 0.502 361 C N 0.749 120.038 119.300 -0.019 0.000 3.303 361 C HA 0.690 5.150 4.460 0.001 0.000 0.340 361 C C -1.906 173.055 174.990 -0.047 0.000 1.274 361 C CA -0.288 58.717 59.018 -0.022 0.000 1.234 361 C CB 1.899 29.623 27.740 -0.027 0.000 1.532 361 C HN 0.904 nan 8.230 nan 0.000 0.483 362 E N 1.218 121.380 120.200 -0.063 0.000 2.408 362 E HA 0.697 5.048 4.350 0.001 0.000 0.275 362 E C -0.187 176.329 176.600 -0.140 0.000 0.935 362 E CA -0.412 55.906 56.400 -0.136 0.000 0.775 362 E CB 2.364 31.984 29.700 -0.134 0.000 1.277 362 E HN 1.131 nan 8.360 nan 0.000 0.455 363 G N 0.547 109.228 108.800 -0.198 0.000 2.588 363 G HA2 0.300 4.260 3.960 0.001 0.000 0.281 363 G HA3 0.300 4.260 3.960 0.001 0.000 0.281 363 G C -1.428 173.367 174.900 -0.176 0.000 1.223 363 G CA -0.834 44.176 45.100 -0.150 0.000 0.871 363 G HN 0.297 nan 8.290 nan 0.000 0.492 364 R N 0.465 120.891 120.500 -0.124 0.000 2.254 364 R HA 0.647 4.987 4.340 0.001 0.000 0.318 364 R C 0.375 176.613 176.300 -0.104 0.000 1.031 364 R CA 0.025 56.059 56.100 -0.110 0.000 0.905 364 R CB 0.957 31.216 30.300 -0.069 0.000 1.050 364 R HN 0.727 nan 8.270 nan 0.000 0.456 369 K N -0.938 119.482 120.400 0.034 0.000 10.026 369 K HA 0.100 4.421 4.320 0.001 0.000 1.125 369 K C -1.743 174.888 176.600 0.051 0.000 1.754 369 K CA 0.150 56.459 56.287 0.036 0.000 0.906 369 K CB -0.743 31.773 32.500 0.028 0.000 1.693 369 K HN 0.356 nan 8.250 nan 0.000 0.422 370 V N 1.519 121.466 119.914 0.055 0.000 3.302 370 V HA 0.998 5.119 4.120 0.001 0.000 0.316 370 V C 1.033 177.160 176.094 0.055 0.000 1.111 370 V CA 0.193 62.535 62.300 0.070 0.000 1.029 370 V CB 1.768 33.637 31.823 0.078 0.000 1.170 370 V HN 0.986 nan 8.190 nan 0.000 0.452 371 G N -0.186 108.651 108.800 0.062 0.000 2.608 371 G HA2 0.656 4.617 3.960 0.001 0.000 0.291 371 G HA3 0.656 4.617 3.960 0.001 0.000 0.291 371 G C -1.928 173.005 174.900 0.054 0.000 1.425 371 G CA -0.482 44.647 45.100 0.048 0.000 0.787 371 G HN 0.534 nan 8.290 nan 0.000 0.484 372 Q N -1.585 118.240 119.800 0.043 0.000 2.693 372 Q HA 0.732 5.072 4.340 0.001 0.000 0.306 372 Q C -0.335 175.686 176.000 0.035 0.000 0.969 372 Q CA -0.567 55.262 55.803 0.044 0.000 0.757 372 Q CB 2.890 31.650 28.738 0.037 0.000 1.494 372 Q HN 1.915 nan 8.270 nan 0.000 0.459 373 G N 0.831 109.651 108.800 0.033 0.000 2.347 373 G HA2 -0.041 3.920 3.960 0.001 0.000 0.477 373 G HA3 -0.041 3.920 3.960 0.001 0.000 0.477 373 G C -1.804 173.112 174.900 0.026 0.000 1.349 373 G CA -0.934 44.181 45.100 0.026 0.000 1.000 373 G HN 0.404 nan 8.290 nan 0.000 0.605 374 K N 0.388 120.801 120.400 0.021 0.000 2.322 374 K HA 0.480 4.800 4.320 0.001 0.000 0.283 374 K C 0.322 176.934 176.600 0.020 0.000 1.042 374 K CA -0.510 55.789 56.287 0.019 0.000 0.958 374 K CB 1.031 33.540 32.500 0.014 0.000 0.984 374 K HN 0.424 nan 8.250 nan 0.000 0.473 375 V N 4.198 124.125 119.914 0.021 0.000 2.446 375 V HA 0.134 4.255 4.120 0.001 0.000 0.276 375 V C 1.074 177.179 176.094 0.019 0.000 1.030 375 V CA 0.252 62.565 62.300 0.021 0.000 1.033 375 V CB 0.159 31.995 31.823 0.021 0.000 0.993 375 V HN 0.928 nan 8.190 nan 0.000 0.477 392 V N 2.646 122.573 119.914 0.022 0.000 2.405 392 V HA 0.271 4.392 4.120 0.001 0.000 0.264 392 V C 0.222 176.333 176.094 0.028 0.000 1.048 392 V CA -0.587 61.728 62.300 0.025 0.000 0.966 392 V CB 0.741 32.579 31.823 0.025 0.000 1.015 392 V HN 0.447 nan 8.190 nan 0.000 0.477 393 L N 7.373 128.616 121.223 0.034 0.000 2.319 393 L HA 0.469 4.809 4.340 0.001 0.000 0.280 393 L C -0.153 176.747 176.870 0.050 0.000 1.099 393 L CA 0.453 55.324 54.840 0.052 0.000 0.828 393 L CB 1.277 43.381 42.059 0.075 0.000 1.150 393 L HN 0.433 nan 8.230 nan 0.000 0.442 394 V N 5.783 125.730 119.914 0.056 0.000 2.350 394 V HA 0.705 4.826 4.120 0.001 0.000 0.285 394 V C 0.096 176.228 176.094 0.063 0.000 1.014 394 V CA -0.144 62.180 62.300 0.040 0.000 0.831 394 V CB 1.297 33.136 31.823 0.027 0.000 1.000 394 V HN 0.979 nan 8.190 nan 0.000 0.433 395 T N 2.157 116.732 114.554 0.035 0.000 2.693 395 T HA 0.222 4.572 4.350 0.001 0.000 0.304 395 T C 0.177 174.830 174.700 -0.079 0.000 1.471 395 T CA -0.236 61.881 62.100 0.028 0.000 0.993 395 T CB 1.997 70.960 68.868 0.158 0.000 1.554 395 T HN 0.654 nan 8.240 nan 0.000 0.496 396 D N 0.401 120.723 120.400 -0.131 0.000 2.092 396 D HA 0.185 4.826 4.640 0.001 0.000 0.203 396 D C 0.447 176.608 176.300 -0.232 0.000 0.978 396 D CA 1.220 55.128 54.000 -0.153 0.000 0.861 396 D CB 0.278 41.003 40.800 -0.124 0.000 1.005 396 D HN 0.430 nan 8.370 nan 0.000 0.450 397 M N -0.521 118.850 119.600 -0.382 0.000 2.471 397 M HA 0.169 4.649 4.480 0.001 0.000 0.284 397 M C -1.393 174.409 176.300 -0.830 0.000 1.203 397 M CA -0.527 54.494 55.300 -0.464 0.000 0.915 397 M CB 2.091 34.511 32.600 -0.300 0.000 1.734 397 M HN 0.045 nan 8.290 nan 0.000 0.485 398 T N -0.043 113.982 114.554 -0.882 0.000 2.851 398 T HA 0.272 4.622 4.350 0.001 0.000 0.298 398 T C 0.004 174.115 174.700 -0.981 0.000 0.977 398 T CA -0.613 60.772 62.100 -1.193 0.000 1.126 398 T CB 0.670 68.997 68.868 -0.901 0.000 0.916 398 T HN 0.501 nan 8.240 nan 0.000 0.529 399 D N 3.370 123.312 120.400 -0.762 0.000 2.393 399 D HA 0.151 4.792 4.640 0.001 0.000 0.246 399 D C -1.262 175.069 176.300 0.051 0.000 1.275 399 D CA -1.801 52.096 54.000 -0.171 0.000 0.979 399 D CB 0.926 41.773 40.800 0.079 0.000 1.101 399 D HN 0.256 nan 8.370 nan 0.000 0.505 400 P HA -0.062 nan 4.420 nan 0.000 0.219 400 P C 0.314 177.765 177.300 0.251 0.000 1.150 400 P CA 0.950 64.251 63.100 0.335 0.000 0.814 400 P CB 0.217 32.030 31.700 0.188 0.000 0.787 401 D N -1.999 118.551 120.400 0.250 0.000 2.357 401 D HA -0.154 4.486 4.640 0.001 0.000 0.216 401 D C 0.526 176.937 176.300 0.186 0.000 0.973 401 D CA 0.839 54.962 54.000 0.204 0.000 0.912 401 D CB -0.706 40.216 40.800 0.203 0.000 0.900 401 D HN 0.319 nan 8.370 nan 0.000 0.501 402 W N 0.805 122.084 121.300 -0.035 0.000 3.305 402 W HA 0.254 4.914 4.660 0.001 0.000 0.392 402 W C 1.381 177.880 176.519 -0.034 0.000 1.121 402 W CA -0.380 56.925 57.345 -0.066 0.000 1.909 402 W CB -0.270 29.099 29.460 -0.151 0.000 1.065 402 W HN 0.030 nan 8.180 nan 0.000 0.714 403 E N 0.302 120.599 120.200 0.162 0.000 2.340 403 E HA -0.062 4.289 4.350 0.001 0.000 0.194 403 E C -0.400 176.228 176.600 0.046 0.000 0.996 403 E CA 0.456 56.922 56.400 0.110 0.000 0.869 403 E CB -0.518 29.246 29.700 0.106 0.000 0.835 403 E HN 0.103 nan 8.360 nan 0.000 0.493 404 P HA -0.064 nan 4.420 nan 0.000 0.213 404 P C 1.537 178.818 177.300 -0.031 0.000 1.176 404 P CA 0.850 63.941 63.100 -0.015 0.000 0.894 404 P CB -0.068 31.611 31.700 -0.035 0.000 0.771 405 V N -0.364 119.505 119.914 -0.075 0.000 2.688 405 V HA -0.208 3.913 4.120 0.001 0.000 0.256 405 V C 2.743 178.815 176.094 -0.037 0.000 1.084 405 V CA 1.536 63.780 62.300 -0.093 0.000 1.103 405 V CB -1.250 30.451 31.823 -0.203 0.000 0.688 405 V HN 0.037 nan 8.190 nan 0.000 0.480 406 M N 0.489 120.095 119.600 0.010 0.000 2.132 406 M HA -0.178 4.302 4.480 0.001 0.000 0.263 406 M C 2.567 178.884 176.300 0.027 0.000 1.065 406 M CA 2.377 57.706 55.300 0.048 0.000 1.122 406 M CB -0.337 32.315 32.600 0.087 0.000 1.365 406 M HN 0.399 nan 8.290 nan 0.000 0.411 407 K N 0.209 120.619 120.400 0.016 0.000 2.097 407 K HA -0.124 4.197 4.320 0.001 0.000 0.206 407 K C 1.711 178.312 176.600 0.002 0.000 1.049 407 K CA 1.586 57.879 56.287 0.009 0.000 0.933 407 K CB -1.015 31.488 32.500 0.005 0.000 0.717 407 K HN 0.435 nan 8.250 nan 0.000 0.442 408 R N 0.882 121.378 120.500 -0.007 0.000 3.385 408 R HA 0.339 4.679 4.340 0.001 0.000 0.236 408 R C -0.438 175.858 176.300 -0.007 0.000 1.663 408 R CA 0.573 56.665 56.100 -0.012 0.000 1.444 408 R CB -1.100 29.183 30.300 -0.028 0.000 1.218 408 R HN 0.555 nan 8.270 nan 0.000 0.575 409 A N -1.026 121.796 122.820 0.003 0.000 2.540 409 A HA 0.318 4.638 4.320 0.001 0.000 0.291 409 A C -0.305 177.287 177.584 0.014 0.000 1.083 409 A CA -0.342 51.701 52.037 0.009 0.000 0.650 409 A CB 1.018 20.027 19.000 0.015 0.000 1.292 409 A HN 0.189 nan 8.150 nan 0.000 0.435 410 S N -1.049 114.661 115.700 0.017 0.000 3.031 410 S HA 0.677 5.147 4.470 0.001 0.000 0.253 410 S C -0.055 174.557 174.600 0.021 0.000 0.996 410 S CA 0.925 59.136 58.200 0.018 0.000 1.098 410 S CB -0.090 63.120 63.200 0.016 0.000 1.042 410 S HN 2.536 nan 8.310 nan 0.000 0.593 411 A N 0.686 123.520 122.820 0.023 0.000 2.550 411 A HA 0.672 4.993 4.320 0.001 0.000 0.295 411 A C -1.979 175.619 177.584 0.023 0.000 1.001 411 A CA -0.673 51.377 52.037 0.022 0.000 0.660 411 A CB 0.395 19.409 19.000 0.023 0.000 1.308 411 A HN 0.461 nan 8.150 nan 0.000 0.426 412 I N 1.093 121.673 120.570 0.016 0.000 2.548 412 I HA 0.505 4.675 4.170 0.001 0.000 0.287 412 I C -1.305 174.809 176.117 -0.004 0.000 1.103 412 I CA -0.789 60.518 61.300 0.012 0.000 1.049 412 I CB 1.929 39.937 38.000 0.012 0.000 1.232 412 I HN 0.481 nan 8.210 nan 0.000 0.429 413 V N 6.327 126.237 119.914 -0.007 0.000 2.483 413 V HA 0.613 4.734 4.120 0.001 0.000 0.297 413 V C -0.350 175.724 176.094 -0.033 0.000 1.027 413 V CA -0.075 62.212 62.300 -0.022 0.000 0.855 413 V CB 2.377 34.189 31.823 -0.018 0.000 0.995 413 V HN 0.844 nan 8.190 nan 0.000 0.424 414 T N 1.895 116.418 114.554 -0.052 0.000 2.876 414 T HA 0.429 4.780 4.350 0.001 0.000 0.289 414 T C 0.679 175.339 174.700 -0.068 0.000 1.014 414 T CA -0.802 61.255 62.100 -0.073 0.000 0.986 414 T CB 1.644 70.447 68.868 -0.109 0.000 1.021 414 T HN 0.408 nan 8.240 nan 0.000 0.458 415 N N 1.236 119.894 118.700 -0.069 0.000 2.043 415 N HA -0.041 4.700 4.740 0.001 0.000 0.193 415 N C 0.759 176.234 175.510 -0.059 0.000 1.037 415 N CA 1.269 54.284 53.050 -0.058 0.000 0.851 415 N CB -0.376 38.078 38.487 -0.055 0.000 1.027 415 N HN 0.592 nan 8.380 nan 0.000 0.422 416 R N -0.732 119.724 120.500 -0.073 0.000 2.607 416 R HA 0.598 4.939 4.340 0.001 0.000 0.261 416 R C 0.208 176.474 176.300 -0.058 0.000 1.051 416 R CA -0.080 55.983 56.100 -0.061 0.000 1.110 416 R CB 1.133 31.392 30.300 -0.067 0.000 1.158 416 R HN 0.272 nan 8.270 nan 0.000 0.543 417 G N -0.854 107.924 108.800 -0.037 0.000 2.576 417 G HA2 0.225 4.185 3.960 0.001 0.000 0.686 417 G HA3 0.225 4.185 3.960 0.001 0.000 0.686 417 G C -0.600 174.293 174.900 -0.012 0.000 1.242 417 G CA -0.665 44.422 45.100 -0.021 0.000 0.819 417 G HN 0.825 nan 8.290 nan 0.000 0.655 418 G N -0.534 108.270 108.800 0.007 0.000 3.212 418 G HA2 0.648 4.608 3.960 0.001 0.000 0.188 418 G HA3 0.648 4.608 3.960 0.001 0.000 0.188 418 G C 0.986 175.899 174.900 0.021 0.000 1.254 418 G CA 0.230 45.336 45.100 0.010 0.000 0.957 418 G HN 0.795 nan 8.290 nan 0.000 0.596 419 R N -0.781 119.736 120.500 0.028 0.000 2.096 419 R HA -0.087 4.253 4.340 0.001 0.000 0.240 419 R C 2.368 178.706 176.300 0.062 0.000 1.139 419 R CA 2.163 58.284 56.100 0.036 0.000 0.952 419 R CB -0.554 29.769 30.300 0.038 0.000 0.854 419 R HN 0.533 nan 8.270 nan 0.000 0.436 420 T N -2.214 112.398 114.554 0.097 0.000 3.235 420 T HA 0.125 4.476 4.350 0.001 0.000 0.251 420 T C 0.879 175.684 174.700 0.175 0.000 1.060 420 T CA -0.469 61.733 62.100 0.170 0.000 0.949 420 T CB -0.735 68.269 68.868 0.226 0.000 1.020 420 T HN 0.254 nan 8.240 nan 0.000 0.564 421 C N 3.136 122.499 119.300 0.105 0.000 2.674 421 C HA -0.045 4.416 4.460 0.001 0.000 0.405 421 C C 2.294 177.317 174.990 0.054 0.000 1.285 421 C CA 0.157 59.221 59.018 0.075 0.000 1.845 421 C CB -0.284 27.470 27.740 0.023 0.000 2.689 421 C HN 0.739 nan 8.230 nan 0.000 0.643 422 H N 3.512 122.471 119.070 -0.186 0.000 2.257 422 H HA -0.170 4.387 4.556 0.001 0.000 0.292 422 H C 2.064 177.258 175.328 -0.224 0.000 1.075 422 H CA 3.303 59.104 56.048 -0.411 0.000 1.212 422 H CB -0.715 28.653 29.762 -0.657 0.000 1.354 422 H HN 0.831 nan 8.280 nan 0.000 0.497 423 A N 1.011 123.917 122.820 0.143 0.000 2.019 423 A HA -0.016 4.304 4.320 0.001 0.000 0.219 423 A C 2.690 180.298 177.584 0.040 0.000 1.164 423 A CA 1.870 53.955 52.037 0.080 0.000 0.644 423 A CB -1.033 17.926 19.000 -0.068 0.000 0.805 423 A HN 0.643 nan 8.150 nan 0.000 0.449 424 A N -0.866 121.965 122.820 0.018 0.000 2.121 424 A HA 0.064 4.384 4.320 0.001 0.000 0.218 424 A C 1.951 179.538 177.584 0.004 0.000 1.154 424 A CA 1.309 53.352 52.037 0.009 0.000 0.679 424 A CB -0.303 18.705 19.000 0.012 0.000 0.795 424 A HN 0.425 nan 8.150 nan 0.000 0.458 425 I N -0.090 120.472 120.570 -0.013 0.000 2.494 425 I HA -0.006 4.165 4.170 0.001 0.000 0.250 425 I C 2.087 178.168 176.117 -0.059 0.000 1.112 425 I CA 0.692 61.960 61.300 -0.054 0.000 1.438 425 I CB -0.550 37.371 38.000 -0.131 0.000 1.111 425 I HN 0.286 nan 8.210 nan 0.000 0.431 426 I N 0.944 121.490 120.570 -0.040 0.000 2.423 426 I HA -0.258 3.912 4.170 0.001 0.000 0.254 426 I C 2.329 178.445 176.117 -0.001 0.000 1.151 426 I CA 1.323 62.615 61.300 -0.014 0.000 1.421 426 I CB -0.536 37.494 38.000 0.050 0.000 1.079 426 I HN 0.155 nan 8.210 nan 0.000 0.431 427 A N 0.242 123.064 122.820 0.003 0.000 2.081 427 A HA 0.012 4.332 4.320 0.001 0.000 0.214 427 A C 2.345 179.930 177.584 0.001 0.000 1.158 427 A CA 0.263 52.304 52.037 0.006 0.000 0.724 427 A CB -0.186 18.819 19.000 0.007 0.000 0.826 427 A HN 0.246 nan 8.150 nan 0.000 0.463 428 R N 0.658 121.155 120.500 -0.005 0.000 2.075 428 R HA -0.017 4.323 4.340 0.001 0.000 0.226 428 R C 1.052 177.348 176.300 -0.007 0.000 1.114 428 R CA 1.119 57.216 56.100 -0.005 0.000 0.972 428 R CB -0.146 30.150 30.300 -0.007 0.000 0.869 428 R HN 0.864 nan 8.270 nan 0.000 0.437 434 A N 0.114 122.934 122.820 0.001 0.000 2.604 434 A HA 0.583 4.904 4.320 0.001 0.000 0.285 434 A C -1.405 176.165 177.584 -0.024 0.000 1.095 434 A CA -0.405 51.627 52.037 -0.009 0.000 0.842 434 A CB 0.821 19.817 19.000 -0.006 0.000 1.385 434 A HN 0.226 nan 8.150 nan 0.000 0.404 435 V N 3.825 123.720 119.914 -0.032 0.000 2.350 435 V HA 0.595 4.716 4.120 0.001 0.000 0.285 435 V C 0.220 176.281 176.094 -0.055 0.000 1.014 435 V CA -0.405 61.862 62.300 -0.055 0.000 0.831 435 V CB 1.358 33.138 31.823 -0.072 0.000 1.000 435 V HN 1.114 nan 8.190 nan 0.000 0.433 436 V N 1.673 121.553 119.914 -0.057 0.000 2.994 436 V HA 1.034 5.155 4.120 0.001 0.000 0.318 436 V C 0.812 176.871 176.094 -0.059 0.000 1.085 436 V CA -0.090 62.177 62.300 -0.054 0.000 0.998 436 V CB 1.365 33.163 31.823 -0.043 0.000 1.063 436 V HN 1.492 nan 8.190 nan 0.000 0.447 437 G N 0.867 109.635 108.800 -0.055 0.000 2.212 437 G HA2 -0.183 3.777 3.960 0.001 0.000 0.255 437 G HA3 -0.183 3.777 3.960 0.001 0.000 0.255 437 G C 0.013 174.880 174.900 -0.056 0.000 1.062 437 G CA -0.058 45.012 45.100 -0.051 0.000 0.815 437 G HN 1.398 nan 8.290 nan 0.000 0.497 438 C N 1.036 120.302 119.300 -0.056 0.000 2.200 438 C HA 0.627 5.088 4.460 0.001 0.000 0.328 438 C C 2.227 177.193 174.990 -0.040 0.000 1.148 438 C CA -0.125 58.862 59.018 -0.052 0.000 1.624 438 C CB 0.050 27.758 27.740 -0.053 0.000 2.167 438 C HN 0.809 nan 8.230 nan 0.000 0.484 439 G N 3.163 111.942 108.800 -0.034 0.000 2.547 439 G HA2 -0.235 3.726 3.960 0.001 0.000 0.221 439 G HA3 -0.235 3.726 3.960 0.001 0.000 0.221 439 G C 0.650 175.535 174.900 -0.024 0.000 1.140 439 G CA 1.290 46.373 45.100 -0.027 0.000 0.760 439 G HN 0.832 nan 8.290 nan 0.000 0.583 440 N N -1.025 117.662 118.700 -0.022 0.000 2.710 440 N HA 0.546 5.287 4.740 0.001 0.000 0.244 440 N C 0.204 175.705 175.510 -0.014 0.000 1.321 440 N CA 0.070 53.111 53.050 -0.016 0.000 0.758 440 N CB 1.009 39.490 38.487 -0.010 0.000 1.284 440 N HN 0.096 nan 8.380 nan 0.000 0.530 441 A N 0.756 123.566 122.820 -0.017 0.000 1.993 441 A HA 0.113 4.434 4.320 0.001 0.000 0.207 441 A C 1.817 179.398 177.584 -0.004 0.000 1.224 441 A CA 0.947 52.976 52.037 -0.013 0.000 0.749 441 A CB -0.467 18.520 19.000 -0.021 0.000 0.884 441 A HN 0.423 nan 8.150 nan 0.000 0.467 442 T N 0.739 115.291 114.554 -0.004 0.000 2.684 442 T HA -0.216 4.134 4.350 0.001 0.000 0.267 442 T C 1.805 176.508 174.700 0.005 0.000 1.032 442 T CA 2.122 64.225 62.100 0.004 0.000 1.155 442 T CB -0.217 68.653 68.868 0.003 0.000 0.857 442 T HN 0.558 nan 8.240 nan 0.000 0.457 443 E N 0.683 120.884 120.200 0.002 0.000 2.022 443 E HA 0.126 4.476 4.350 0.001 0.000 0.190 443 E C 2.519 179.121 176.600 0.005 0.000 0.973 443 E CA 0.449 56.851 56.400 0.003 0.000 0.816 443 E CB -0.994 28.707 29.700 0.001 0.000 0.781 443 E HN 0.386 nan 8.360 nan 0.000 0.456 444 L N 0.646 121.871 121.223 0.003 0.000 1.997 444 L HA -0.148 4.193 4.340 0.001 0.000 0.216 444 L C 1.348 178.223 176.870 0.008 0.000 1.074 444 L CA 0.991 55.834 54.840 0.005 0.000 0.763 444 L CB -0.595 41.465 42.059 0.001 0.000 0.890 444 L HN 0.047 nan 8.230 nan 0.000 0.434 445 L N 0.452 121.679 121.223 0.006 0.000 2.371 445 L HA 0.138 4.478 4.340 0.001 0.000 0.272 445 L C 0.263 177.140 176.870 0.013 0.000 1.124 445 L CA -0.157 54.688 54.840 0.010 0.000 0.816 445 L CB 1.032 43.096 42.059 0.008 0.000 1.129 445 L HN 0.162 nan 8.230 nan 0.000 0.448 446 K N 1.134 121.543 120.400 0.015 0.000 2.156 446 K HA 0.259 4.580 4.320 0.001 0.000 0.250 446 K C 0.248 176.858 176.600 0.016 0.000 0.955 446 K CA -0.767 55.529 56.287 0.015 0.000 0.855 446 K CB 1.507 34.016 32.500 0.015 0.000 1.101 446 K HN 0.454 nan 8.250 nan 0.000 0.434 447 N N 0.771 119.480 118.700 0.015 0.000 2.381 447 N HA -0.138 4.603 4.740 0.001 0.000 0.182 447 N C 1.289 176.806 175.510 0.013 0.000 1.025 447 N CA 0.781 53.839 53.050 0.014 0.000 0.888 447 N CB -0.061 38.434 38.487 0.012 0.000 0.965 447 N HN 0.799 nan 8.380 nan 0.000 0.438 448 G N 0.228 109.036 108.800 0.013 0.000 2.879 448 G HA2 -0.183 3.778 3.960 0.001 0.000 0.200 448 G HA3 -0.183 3.778 3.960 0.001 0.000 0.200 448 G C 0.854 175.763 174.900 0.015 0.000 1.437 448 G CA 0.922 46.030 45.100 0.013 0.000 0.835 448 G HN 0.378 nan 8.290 nan 0.000 0.640 449 Q N -1.445 118.365 119.800 0.018 0.000 2.423 449 Q HA 0.295 4.636 4.340 0.001 0.000 0.201 449 Q C -0.504 175.512 176.000 0.026 0.000 0.842 449 Q CA -0.366 55.450 55.803 0.021 0.000 0.507 449 Q CB 0.551 29.301 28.738 0.020 0.000 3.343 449 Q HN 0.395 nan 8.270 nan 0.000 0.254 450 E N 2.233 122.451 120.200 0.030 0.000 2.173 450 E HA 0.415 4.766 4.350 0.001 0.000 0.249 450 E C -1.084 175.543 176.600 0.045 0.000 0.923 450 E CA -0.473 55.946 56.400 0.032 0.000 0.754 450 E CB 1.036 30.752 29.700 0.027 0.000 1.177 450 E HN 0.343 nan 8.360 nan 0.000 0.430 451 V N 0.789 120.733 119.914 0.049 0.000 3.126 451 V HA 0.890 5.010 4.120 0.001 0.000 0.314 451 V C -0.371 175.770 176.094 0.078 0.000 1.138 451 V CA -0.396 61.946 62.300 0.068 0.000 1.034 451 V CB 1.826 33.681 31.823 0.055 0.000 1.075 451 V HN 0.629 nan 8.190 nan 0.000 0.442 452 T N -1.390 113.234 114.554 0.116 0.000 3.105 452 T HA 0.665 5.016 4.350 0.001 0.000 0.321 452 T C -1.090 173.710 174.700 0.166 0.000 1.135 452 T CA -0.553 61.623 62.100 0.127 0.000 1.053 452 T CB 1.243 70.188 68.868 0.129 0.000 1.133 452 T HN 0.994 nan 8.240 nan 0.000 0.463 453 V N 2.833 122.816 119.914 0.115 0.000 2.275 453 V HA 0.563 4.683 4.120 0.001 0.000 0.272 453 V C 0.724 176.882 176.094 0.107 0.000 1.028 453 V CA -0.697 61.653 62.300 0.082 0.000 0.810 453 V CB 0.677 32.523 31.823 0.038 0.000 1.043 453 V HN 1.097 nan 8.190 nan 0.000 0.453 454 S N 3.414 119.217 115.700 0.172 0.000 2.584 454 S HA 0.245 4.715 4.470 0.001 0.000 0.273 454 S C 0.480 175.172 174.600 0.153 0.000 1.311 454 S CA -0.299 58.032 58.200 0.218 0.000 1.034 454 S CB 0.752 64.199 63.200 0.411 0.000 0.939 454 S HN 0.807 nan 8.310 nan 0.000 0.513 455 C N 3.846 123.219 119.300 0.122 0.000 3.359 455 C HA 0.627 5.087 4.460 0.001 0.000 0.258 455 C C 1.127 176.169 174.990 0.086 0.000 1.840 455 C CA -0.477 58.591 59.018 0.082 0.000 1.746 455 C CB -1.527 26.235 27.740 0.037 0.000 3.306 455 C HN 0.938 nan 8.230 nan 0.000 0.485 460 T N 0.629 115.053 114.554 -0.217 0.000 3.188 460 T HA 0.411 4.762 4.350 0.001 0.000 0.250 460 T C 1.235 175.477 174.700 -0.762 0.000 1.077 460 T CA 0.350 62.178 62.100 -0.454 0.000 0.967 460 T CB -0.223 68.349 68.868 -0.495 0.000 1.006 460 T HN 0.616 nan 8.240 nan 0.000 0.552 461 G N 2.262 110.786 108.800 -0.460 0.000 2.144 461 G HA2 -0.233 3.727 3.960 0.001 0.000 0.251 461 G HA3 -0.233 3.727 3.960 0.001 0.000 0.251 461 G C -0.075 174.577 174.900 -0.413 0.000 0.780 461 G CA -0.037 44.877 45.100 -0.310 0.000 1.183 461 G HN 0.465 nan 8.290 nan 0.000 0.345 462 F N 0.477 120.340 119.950 -0.145 0.000 2.373 462 F HA 0.678 5.205 4.527 0.001 0.000 0.302 462 F C 1.073 176.634 175.800 -0.398 0.000 1.247 462 F CA -0.720 57.080 58.000 -0.333 0.000 1.169 462 F CB 0.892 39.571 39.000 -0.535 0.000 1.309 462 F HN 0.284 nan 8.300 nan 0.000 0.537 463 I N 1.813 122.179 120.570 -0.341 0.000 2.602 463 I HA 0.236 4.407 4.170 0.001 0.000 0.274 463 I C -1.940 174.036 176.117 -0.235 0.000 1.191 463 I CA -0.458 60.699 61.300 -0.239 0.000 1.068 463 I CB 0.079 38.027 38.000 -0.087 0.000 1.274 463 I HN 0.486 nan 8.210 nan 0.000 0.485 464 Y N 5.881 126.228 120.300 0.078 0.000 2.307 464 Y HA 0.629 5.180 4.550 0.001 0.000 0.324 464 Y C 1.473 177.394 175.900 0.034 0.000 1.238 464 Y CA 0.226 58.353 58.100 0.045 0.000 1.280 464 Y CB 0.962 39.437 38.460 0.024 0.000 1.248 464 Y HN 0.693 nan 8.280 nan 0.000 0.508 465 A N 0.491 123.408 122.820 0.162 0.000 2.945 465 A HA 0.067 4.388 4.320 0.001 0.000 0.251 465 A C 0.527 178.187 177.584 0.126 0.000 1.355 465 A CA 1.049 53.178 52.037 0.153 0.000 0.905 465 A CB -1.923 17.193 19.000 0.194 0.000 1.104 465 A HN 1.820 nan 8.150 nan 0.000 0.733 466 G N -2.511 106.354 108.800 0.108 0.000 2.450 466 G HA2 0.757 4.718 3.960 0.001 0.000 0.273 466 G HA3 0.757 4.718 3.960 0.001 0.000 0.273 466 G C -0.583 174.346 174.900 0.049 0.000 1.221 466 G CA 0.166 45.300 45.100 0.057 0.000 0.900 466 G HN 1.981 nan 8.290 nan 0.000 0.483 481 P HA 0.353 nan 4.420 nan 0.000 0.274 481 P C -0.638 176.837 177.300 0.293 0.000 1.256 481 P CA -0.417 62.751 63.100 0.113 0.000 0.795 481 P CB 0.665 32.421 31.700 0.094 0.000 1.038 482 K N 0.611 121.129 120.400 0.196 0.000 2.416 482 K HA 0.396 4.716 4.320 0.001 0.000 0.283 482 K C -0.415 176.284 176.600 0.165 0.000 1.037 482 K CA -0.035 56.357 56.287 0.176 0.000 0.995 482 K CB -0.493 32.056 32.500 0.082 0.000 0.938 482 K HN 0.581 nan 8.250 nan 0.000 0.475 483 A N 6.533 129.398 122.820 0.075 0.000 2.306 483 A HA 0.483 4.803 4.320 0.001 0.000 0.314 483 A C -1.631 175.869 177.584 -0.140 0.000 1.164 483 A CA -1.263 50.686 52.037 -0.145 0.000 0.822 483 A CB 0.588 19.193 19.000 -0.658 0.000 1.130 483 A HN 0.720 nan 8.150 nan 0.000 0.496 484 P HA -0.003 nan 4.420 nan 0.000 0.225 484 P C 0.474 177.694 177.300 -0.134 0.000 1.156 484 P CA 1.349 64.385 63.100 -0.107 0.000 0.787 484 P CB -0.326 31.322 31.700 -0.086 0.000 0.802 485 V N -3.654 116.152 119.914 -0.180 0.000 3.158 485 V HA 0.528 4.649 4.120 0.001 0.000 0.315 485 V C -0.253 175.688 176.094 -0.255 0.000 1.148 485 V CA -1.614 60.575 62.300 -0.185 0.000 1.042 485 V CB 1.780 33.502 31.823 -0.169 0.000 1.101 485 V HN -0.274 nan 8.190 nan 0.000 0.448 486 K N 1.294 121.570 120.400 -0.207 0.000 2.297 486 K HA 0.542 4.863 4.320 0.001 0.000 0.286 486 K C -1.008 175.439 176.600 -0.254 0.000 1.053 486 K CA -0.392 55.752 56.287 -0.238 0.000 0.940 486 K CB 1.551 33.985 32.500 -0.109 0.000 1.019 486 K HN 0.576 nan 8.250 nan 0.000 0.475 487 V N 5.763 125.437 119.914 -0.399 0.000 2.348 487 V HA 0.253 4.374 4.120 0.001 0.000 0.270 487 V C 0.114 176.145 176.094 -0.105 0.000 1.037 487 V CA -0.315 61.827 62.300 -0.263 0.000 0.872 487 V CB 0.470 32.095 31.823 -0.329 0.000 1.002 487 V HN 0.748 nan 8.190 nan 0.000 0.464 488 M N 4.514 124.086 119.600 -0.047 0.000 2.762 488 M HA 0.649 5.130 4.480 0.001 0.000 0.306 488 M C -0.457 175.832 176.300 -0.018 0.000 1.223 488 M CA -0.559 54.735 55.300 -0.010 0.000 0.896 488 M CB 2.273 34.878 32.600 0.008 0.000 1.684 488 M HN 0.445 nan 8.290 nan 0.000 0.491 489 M N 1.239 120.819 119.600 -0.033 0.000 2.423 489 M HA 0.340 4.821 4.480 0.001 0.000 0.335 489 M C -0.452 175.794 176.300 -0.090 0.000 1.177 489 M CA -0.743 54.504 55.300 -0.089 0.000 1.038 489 M CB 1.191 33.701 32.600 -0.150 0.000 1.641 489 M HN 0.444 nan 8.290 nan 0.000 0.455 490 N N 1.923 120.552 118.700 -0.120 0.000 2.457 490 N HA 0.474 5.214 4.740 0.001 0.000 0.250 490 N C -2.052 173.363 175.510 -0.157 0.000 0.982 490 N CA -0.274 52.713 53.050 -0.104 0.000 0.941 490 N CB 0.902 39.344 38.487 -0.076 0.000 1.120 490 N HN 0.464 nan 8.380 nan 0.000 0.505 491 V N 2.464 122.304 119.914 -0.124 0.000 2.577 491 V HA 0.595 4.715 4.120 0.001 0.000 0.303 491 V C 0.970 177.011 176.094 -0.088 0.000 1.042 491 V CA -0.567 61.658 62.300 -0.124 0.000 0.872 491 V CB 1.660 33.434 31.823 -0.083 0.000 0.998 491 V HN 0.797 nan 8.190 nan 0.000 0.423 492 G N 2.758 111.498 108.800 -0.099 0.000 2.747 492 G HA2 0.025 3.986 3.960 0.001 0.000 0.202 492 G HA3 0.025 3.986 3.960 0.001 0.000 0.202 492 G C 0.440 175.196 174.900 -0.240 0.000 1.090 492 G CA 0.037 45.074 45.100 -0.105 0.000 0.779 492 G HN 0.534 nan 8.290 nan 0.000 0.535 493 N N 1.356 119.829 118.700 -0.378 0.000 2.527 493 N HA 0.296 5.037 4.740 0.001 0.000 0.236 493 N C -1.585 173.619 175.510 -0.510 0.000 0.999 493 N CA -2.319 50.240 53.050 -0.818 0.000 0.935 493 N CB 2.334 40.272 38.487 -0.915 0.000 1.132 493 N HN -0.074 nan 8.380 nan 0.000 0.511 494 P HA -0.082 nan 4.420 nan 0.000 0.225 494 P C 0.242 177.273 177.300 -0.448 0.000 1.148 494 P CA 1.018 63.904 63.100 -0.356 0.000 0.779 494 P CB 0.477 32.035 31.700 -0.237 0.000 0.780 495 E N -0.792 119.168 120.200 -0.401 0.000 2.418 495 E HA -0.042 4.309 4.350 0.001 0.000 0.197 495 E C 1.008 177.349 176.600 -0.431 0.000 1.026 495 E CA 0.381 56.569 56.400 -0.352 0.000 0.862 495 E CB -0.215 29.381 29.700 -0.173 0.000 0.799 495 E HN 0.175 nan 8.360 nan 0.000 0.518 496 L N -0.495 120.437 121.223 -0.486 0.000 2.693 496 L HA 0.245 4.585 4.340 0.001 0.000 0.235 496 L C 1.750 178.054 176.870 -0.945 0.000 1.127 496 L CA 0.245 54.702 54.840 -0.638 0.000 0.914 496 L CB -0.106 41.650 42.059 -0.506 0.000 1.193 496 L HN -0.003 nan 8.230 nan 0.000 0.502 497 A N -0.582 121.820 122.820 -0.696 0.000 1.902 497 A HA -0.162 4.158 4.320 0.001 0.000 0.217 497 A C 1.881 179.211 177.584 -0.424 0.000 1.181 497 A CA 1.538 53.273 52.037 -0.503 0.000 0.623 497 A CB -0.568 18.140 19.000 -0.487 0.000 0.818 497 A HN 0.284 nan 8.150 nan 0.000 0.443 498 F N 1.084 120.754 119.950 -0.466 0.000 2.325 498 F HA -0.056 4.472 4.527 0.000 0.000 0.299 498 F C 2.802 178.350 175.800 -0.420 0.000 1.090 498 F CA 0.704 58.428 58.000 -0.460 0.000 1.392 498 F CB -1.091 37.758 39.000 -0.251 0.000 1.053 498 F HN 0.361 nan 8.300 nan 0.000 0.521 499 S N -0.162 115.320 115.700 -0.363 0.000 2.447 499 S HA -0.158 4.312 4.470 0.001 0.000 0.233 499 S C 1.511 175.931 174.600 -0.300 0.000 1.006 499 S CA 0.916 58.895 58.200 -0.368 0.000 0.957 499 S CB -0.972 61.950 63.200 -0.464 0.000 0.773 499 S HN 0.227 nan 8.310 nan 0.000 0.507 500 F N 1.314 121.206 119.950 -0.096 0.000 2.721 500 F HA 0.622 5.149 4.527 0.001 0.000 0.301 500 F C 2.395 178.132 175.800 -0.104 0.000 1.096 500 F CA -0.915 57.033 58.000 -0.087 0.000 1.308 500 F CB -0.964 37.984 39.000 -0.088 0.000 1.086 500 F HN 0.244 nan 8.300 nan 0.000 0.587 501 A N 1.195 123.970 122.820 -0.074 0.000 1.958 501 A HA -0.303 4.018 4.320 0.001 0.000 0.221 501 A C 1.951 179.516 177.584 -0.032 0.000 1.178 501 A CA 2.508 54.426 52.037 -0.198 0.000 0.642 501 A CB -1.154 17.356 19.000 -0.817 0.000 0.816 501 A HN 0.506 nan 8.150 nan 0.000 0.453 502 N N -1.086 117.616 118.700 0.003 0.000 2.216 502 N HA 0.046 4.787 4.740 0.001 0.000 0.183 502 N C 0.325 175.871 175.510 0.059 0.000 1.017 502 N CA 0.040 53.120 53.050 0.051 0.000 0.861 502 N CB -0.210 38.307 38.487 0.050 0.000 0.986 502 N HN 0.385 nan 8.380 nan 0.000 0.428 503 L N 2.623 123.895 121.223 0.082 0.000 2.514 503 L HA 0.068 4.408 4.340 0.001 0.000 0.280 503 L C -2.068 174.841 176.870 0.065 0.000 1.223 503 L CA -1.544 53.340 54.840 0.073 0.000 0.864 503 L CB -0.118 42.003 42.059 0.104 0.000 1.118 503 L HN 0.112 nan 8.230 nan 0.000 0.494 504 P HA 0.202 nan 4.420 nan 0.000 0.275 504 P C -1.311 176.155 177.300 0.276 0.000 1.276 504 P CA -0.165 62.959 63.100 0.041 0.000 0.782 504 P CB 0.657 32.210 31.700 -0.245 0.000 0.851 505 S N 2.079 117.957 115.700 0.297 0.000 2.656 505 S HA 0.397 4.868 4.470 0.001 0.000 0.273 505 S C 0.226 174.944 174.600 0.197 0.000 1.168 505 S CA -0.711 57.668 58.200 0.298 0.000 0.817 505 S CB 1.425 64.715 63.200 0.149 0.000 1.146 505 S HN 0.196 nan 8.310 nan 0.000 0.475 506 E N 0.385 120.642 120.200 0.094 0.000 2.444 506 E HA 0.432 4.782 4.350 0.001 0.000 0.191 506 E C 0.938 177.555 176.600 0.028 0.000 1.041 506 E CA 0.760 57.187 56.400 0.045 0.000 0.883 506 E CB 0.175 29.867 29.700 -0.013 0.000 1.024 506 E HN 1.081 nan 8.360 nan 0.000 0.470 507 G N 0.761 109.582 108.800 0.036 0.000 2.331 507 G HA2 -0.117 3.843 3.960 0.001 0.000 0.479 507 G HA3 -0.117 3.843 3.960 0.001 0.000 0.479 507 G C -1.027 173.878 174.900 0.007 0.000 1.262 507 G CA -0.893 44.218 45.100 0.018 0.000 1.029 507 G HN 0.071 nan 8.290 nan 0.000 0.487 508 I N 1.968 122.534 120.570 -0.005 0.000 2.328 508 I HA 0.496 4.666 4.170 0.001 0.000 0.287 508 I C 1.454 177.561 176.117 -0.017 0.000 1.012 508 I CA 0.167 61.457 61.300 -0.018 0.000 1.195 508 I CB 1.559 39.546 38.000 -0.021 0.000 1.350 508 I HN 0.808 nan 8.210 nan 0.000 0.464 509 G N 6.525 115.323 108.800 -0.003 0.000 2.838 509 G HA2 0.166 4.127 3.960 0.001 0.000 0.210 509 G HA3 0.166 4.127 3.960 0.001 0.000 0.210 509 G C 0.120 175.037 174.900 0.027 0.000 1.153 509 G CA 0.316 45.434 45.100 0.030 0.000 0.778 509 G HN 0.383 nan 8.290 nan 0.000 0.539 510 L N 0.668 121.890 121.223 -0.002 0.000 2.617 510 L HA 0.724 5.065 4.340 0.001 0.000 0.259 510 L C -0.537 176.314 176.870 -0.032 0.000 0.995 510 L CA -1.311 53.524 54.840 -0.010 0.000 0.899 510 L CB 1.096 43.152 42.059 -0.006 0.000 1.181 510 L HN -0.002 nan 8.230 nan 0.000 0.437 511 A N 5.623 128.423 122.820 -0.034 0.000 2.316 511 A HA 0.694 5.015 4.320 0.001 0.000 0.311 511 A C 0.163 177.718 177.584 -0.049 0.000 1.339 511 A CA -0.484 51.526 52.037 -0.046 0.000 0.960 511 A CB 0.054 19.026 19.000 -0.046 0.000 1.152 511 A HN 0.703 nan 8.150 nan 0.000 0.547 512 R N 1.996 122.463 120.500 -0.055 0.000 2.531 512 R HA 0.370 4.710 4.340 0.001 0.000 0.273 512 R C 0.467 176.721 176.300 -0.077 0.000 1.070 512 R CA -0.427 55.634 56.100 -0.064 0.000 1.112 512 R CB 0.772 31.038 30.300 -0.057 0.000 1.049 512 R HN 0.806 nan 8.270 nan 0.000 0.508 513 M N 1.141 120.669 119.600 -0.119 0.000 2.382 513 M HA 0.081 4.561 4.480 0.001 0.000 0.247 513 M C 0.479 176.660 176.300 -0.199 0.000 1.104 513 M CA 1.166 56.378 55.300 -0.146 0.000 1.030 513 M CB 0.553 33.055 32.600 -0.163 0.000 1.424 513 M HN 0.531 nan 8.290 nan 0.000 0.486 514 E N -0.720 119.337 120.200 -0.237 0.000 2.318 514 E HA 0.007 4.358 4.350 0.001 0.000 0.193 514 E C 1.343 177.919 176.600 -0.041 0.000 0.998 514 E CA 0.768 56.943 56.400 -0.376 0.000 0.859 514 E CB -0.232 29.167 29.700 -0.502 0.000 0.812 514 E HN 0.601 nan 8.360 nan 0.000 0.492 515 F N 0.500 120.391 119.950 -0.097 0.000 2.234 515 F HA -0.024 4.504 4.527 0.000 0.000 0.296 515 F C 1.663 177.430 175.800 -0.055 0.000 1.089 515 F CA 0.957 58.932 58.000 -0.041 0.000 1.343 515 F CB 0.123 39.097 39.000 -0.044 0.000 1.040 515 F HN -0.071 nan 8.300 nan 0.000 0.498 516 I N 0.365 121.033 120.570 0.164 0.000 2.208 516 I HA -0.326 3.844 4.170 0.001 0.000 0.245 516 I C 2.205 178.264 176.117 -0.097 0.000 1.097 516 I CA 1.510 62.825 61.300 0.026 0.000 1.363 516 I CB -0.441 37.522 38.000 -0.062 0.000 1.051 516 I HN 0.177 nan 8.210 nan 0.000 0.413 517 I N 0.194 120.710 120.570 -0.090 0.000 2.277 517 I HA -0.215 3.956 4.170 0.001 0.000 0.243 517 I C 2.285 178.434 176.117 0.053 0.000 1.094 517 I CA 1.015 62.298 61.300 -0.029 0.000 1.393 517 I CB -0.489 37.538 38.000 0.044 0.000 1.078 517 I HN 0.234 nan 8.210 nan 0.000 0.417 518 N N 1.045 119.788 118.700 0.071 0.000 2.043 518 N HA -0.156 4.585 4.740 0.001 0.000 0.193 518 N C 2.009 177.447 175.510 -0.119 0.000 1.037 518 N CA 1.609 54.664 53.050 0.008 0.000 0.851 518 N CB -0.148 38.332 38.487 -0.010 0.000 1.027 518 N HN 0.321 nan 8.380 nan 0.000 0.422 519 R N -0.095 120.224 120.500 -0.301 0.000 2.195 519 R HA 0.221 4.562 4.340 0.001 0.000 0.197 519 R C 1.951 178.123 176.300 -0.213 0.000 0.990 519 R CA 0.356 56.209 56.100 -0.411 0.000 1.048 519 R CB 0.224 29.889 30.300 -1.058 0.000 0.997 519 R HN 0.254 nan 8.270 nan 0.000 0.502 520 Q N -0.376 119.336 119.800 -0.147 0.000 2.339 520 Q HA 0.164 4.505 4.340 0.001 0.000 0.205 520 Q C 1.489 177.475 176.000 -0.023 0.000 0.925 520 Q CA 0.773 56.544 55.803 -0.052 0.000 0.898 520 Q CB 0.661 29.362 28.738 -0.062 0.000 1.013 520 Q HN 0.305 nan 8.270 nan 0.000 0.504 521 I N -1.665 118.893 120.570 -0.019 0.000 3.132 521 I HA 0.173 4.344 4.170 0.001 0.000 0.255 521 I C 1.353 177.628 176.117 0.263 0.000 1.118 521 I CA 0.693 62.054 61.300 0.102 0.000 1.463 521 I CB 0.269 38.229 38.000 -0.067 0.000 1.356 521 I HN 0.294 nan 8.210 nan 0.000 0.463 522 G N 2.172 111.068 108.800 0.161 0.000 2.184 522 G HA2 -0.259 3.701 3.960 0.001 0.000 0.264 522 G HA3 -0.259 3.701 3.960 0.001 0.000 0.264 522 G C 0.107 175.118 174.900 0.185 0.000 0.975 522 G CA 0.232 45.416 45.100 0.140 0.000 0.642 522 G HN 0.348 nan 8.290 nan 0.000 0.536 523 I N -0.007 120.725 120.570 0.271 0.000 2.582 523 I HA 0.356 4.527 4.170 0.001 0.000 0.292 523 I C 0.309 176.644 176.117 0.364 0.000 1.066 523 I CA -1.310 60.167 61.300 0.296 0.000 1.053 523 I CB 1.807 39.982 38.000 0.291 0.000 1.241 523 I HN 0.082 nan 8.210 nan 0.000 0.421 524 H N 7.659 126.890 119.070 0.268 0.000 2.886 524 H HA 0.114 4.671 4.556 0.001 0.000 0.329 524 H C -1.757 173.647 175.328 0.125 0.000 1.044 524 H CA -1.293 54.922 56.048 0.279 0.000 1.456 524 H CB 1.597 31.545 29.762 0.309 0.000 1.464 524 H HN 0.343 nan 8.280 nan 0.000 0.573 525 P HA -0.104 nan 4.420 nan 0.000 0.222 525 P C 1.090 178.335 177.300 -0.091 0.000 1.147 525 P CA 1.144 64.066 63.100 -0.297 0.000 0.790 525 P CB 0.410 31.655 31.700 -0.758 0.000 0.780 526 K N -0.166 120.281 120.400 0.078 0.000 2.167 526 K HA 0.061 4.381 4.320 0.001 0.000 0.203 526 K C 2.231 178.697 176.600 -0.222 0.000 1.052 526 K CA 0.911 57.005 56.287 -0.322 0.000 0.956 526 K CB -0.415 31.499 32.500 -0.976 0.000 0.735 526 K HN -0.051 nan 8.250 nan 0.000 0.451 527 A N 1.033 123.884 122.820 0.052 0.000 1.940 527 A HA -0.158 4.163 4.320 0.001 0.000 0.219 527 A C 1.978 179.680 177.584 0.198 0.000 1.176 527 A CA 1.326 53.500 52.037 0.228 0.000 0.631 527 A CB -0.535 18.644 19.000 0.298 0.000 0.814 527 A HN 0.202 nan 8.150 nan 0.000 0.446 528 L N -1.278 120.043 121.223 0.163 0.000 2.044 528 L HA -0.091 4.249 4.340 0.001 0.000 0.205 528 L C 2.369 179.318 176.870 0.131 0.000 1.075 528 L CA 0.362 55.306 54.840 0.174 0.000 0.747 528 L CB -0.518 41.619 42.059 0.131 0.000 0.903 528 L HN 0.243 nan 8.230 nan 0.000 0.435 529 L N 0.139 121.386 121.223 0.039 0.000 2.079 529 L HA -0.175 4.166 4.340 0.001 0.000 0.210 529 L C 1.545 178.445 176.870 0.051 0.000 1.081 529 L CA 1.783 56.629 54.840 0.010 0.000 0.752 529 L CB -0.687 41.331 42.059 -0.069 0.000 0.896 529 L HN 0.342 nan 8.230 nan 0.000 0.433 530 E N -2.064 118.176 120.200 0.067 0.000 2.815 530 E HA -0.016 4.335 4.350 0.001 0.000 0.211 530 E C 1.163 177.841 176.600 0.130 0.000 1.004 530 E CA -0.276 56.175 56.400 0.084 0.000 1.173 530 E CB -0.113 29.623 29.700 0.060 0.000 1.163 530 E HN 0.191 nan 8.360 nan 0.000 0.449 531 F N 2.429 122.401 119.950 0.037 0.000 2.063 531 F HA -0.303 4.224 4.527 0.001 0.000 0.298 531 F C 1.530 177.351 175.800 0.035 0.000 1.105 531 F CA 1.971 59.996 58.000 0.042 0.000 1.215 531 F CB 0.213 39.236 39.000 0.038 0.000 0.972 531 F HN 0.057 nan 8.300 nan 0.000 0.483 532 D N 0.241 120.699 120.400 0.097 0.000 2.351 532 D HA -0.129 4.511 4.640 0.001 0.000 0.216 532 D C 1.801 178.056 176.300 -0.074 0.000 0.968 532 D CA 0.966 54.961 54.000 -0.008 0.000 0.899 532 D CB -0.265 40.597 40.800 0.103 0.000 0.907 532 D HN 0.503 nan 8.370 nan 0.000 0.514 533 K N 0.090 120.458 120.400 -0.055 0.000 2.393 533 K HA 0.065 4.386 4.320 0.001 0.000 0.193 533 K C 0.599 177.149 176.600 -0.083 0.000 1.026 533 K CA -0.069 56.191 56.287 -0.046 0.000 1.064 533 K CB 0.389 32.888 32.500 -0.002 0.000 0.833 533 K HN 0.057 nan 8.250 nan 0.000 0.521 534 Q N 1.482 121.195 119.800 -0.146 0.000 2.354 534 Q HA 0.029 4.370 4.340 0.001 0.000 0.244 534 Q C -0.528 175.372 176.000 -0.166 0.000 0.969 534 Q CA 0.542 56.251 55.803 -0.157 0.000 0.885 534 Q CB 0.491 29.108 28.738 -0.201 0.000 1.241 534 Q HN 0.220 nan 8.270 nan 0.000 0.461 535 D N 1.310 121.638 120.400 -0.120 0.000 2.990 535 D HA -0.168 4.473 4.640 0.001 0.000 0.245 535 D C -0.531 175.697 176.300 -0.120 0.000 1.120 535 D CA 0.553 54.487 54.000 -0.109 0.000 0.838 535 D CB -0.858 39.897 40.800 -0.075 0.000 1.000 535 D HN 0.627 nan 8.370 nan 0.000 0.420 536 D N 0.987 121.330 120.400 -0.096 0.000 2.192 536 D HA -0.238 4.402 4.640 0.001 0.000 0.189 536 D C 1.631 177.899 176.300 -0.055 0.000 1.007 536 D CA 1.822 55.777 54.000 -0.075 0.000 0.859 536 D CB -0.105 40.667 40.800 -0.047 0.000 0.936 536 D HN 0.802 nan 8.370 nan 0.000 0.447 537 E N -0.722 119.453 120.200 -0.042 0.000 2.204 537 E HA -0.166 4.184 4.350 0.001 0.000 0.195 537 E C 1.955 178.543 176.600 -0.020 0.000 0.990 537 E CA 0.479 56.865 56.400 -0.024 0.000 0.821 537 E CB -0.013 29.675 29.700 -0.020 0.000 0.750 537 E HN 0.180 nan 8.360 nan 0.000 0.477 538 L N 0.729 121.927 121.223 -0.041 0.000 2.253 538 L HA 0.013 4.354 4.340 0.001 0.000 0.205 538 L C 1.881 178.734 176.870 -0.028 0.000 1.078 538 L CA 1.137 55.962 54.840 -0.025 0.000 0.805 538 L CB -0.034 42.004 42.059 -0.034 0.000 0.963 538 L HN -0.125 nan 8.230 nan 0.000 0.459 539 K N 0.109 120.431 120.400 -0.131 0.000 2.113 539 K HA -0.145 4.176 4.320 0.001 0.000 0.208 539 K C 1.973 178.642 176.600 0.115 0.000 1.047 539 K CA 1.430 57.614 56.287 -0.173 0.000 0.928 539 K CB -0.443 31.817 32.500 -0.400 0.000 0.716 539 K HN 0.466 nan 8.250 nan 0.000 0.446 540 A N 1.514 124.365 122.820 0.052 0.000 1.897 540 A HA -0.177 4.144 4.320 0.001 0.000 0.215 540 A C 2.137 179.760 177.584 0.066 0.000 1.181 540 A CA 1.558 53.635 52.037 0.067 0.000 0.620 540 A CB -0.294 18.725 19.000 0.032 0.000 0.821 540 A HN 0.269 nan 8.150 nan 0.000 0.443 541 E N 0.415 120.647 120.200 0.054 0.000 2.047 541 E HA -0.117 4.234 4.350 0.001 0.000 0.191 541 E C 1.684 178.314 176.600 0.050 0.000 0.987 541 E CA 1.387 57.814 56.400 0.046 0.000 0.799 541 E CB -0.405 29.320 29.700 0.042 0.000 0.752 541 E HN 0.614 nan 8.360 nan 0.000 0.449 542 I N 0.127 120.755 120.570 0.098 0.000 2.179 542 I HA -0.293 3.878 4.170 0.001 0.000 0.242 542 I C 2.595 178.717 176.117 0.008 0.000 1.088 542 I CA 1.740 63.095 61.300 0.091 0.000 1.357 542 I CB -0.625 37.529 38.000 0.258 0.000 1.051 542 I HN 0.271 nan 8.210 nan 0.000 0.409 543 T N 0.248 114.857 114.554 0.092 0.000 2.720 543 T HA -0.277 4.074 4.350 0.001 0.000 0.268 543 T C 2.118 176.800 174.700 -0.030 0.000 1.037 543 T CA 1.777 63.887 62.100 0.017 0.000 1.144 543 T CB -0.229 68.692 68.868 0.088 0.000 0.864 543 T HN 0.230 nan 8.240 nan 0.000 0.444 544 R N -0.033 120.463 120.500 -0.006 0.000 2.094 544 R HA -0.067 4.274 4.340 0.001 0.000 0.239 544 R C 2.836 179.101 176.300 -0.059 0.000 1.137 544 R CA 1.944 58.035 56.100 -0.016 0.000 0.943 544 R CB -0.159 30.144 30.300 0.004 0.000 0.850 544 R HN 0.413 nan 8.270 nan 0.000 0.433 545 R N 0.182 120.618 120.500 -0.106 0.000 2.115 545 R HA -0.059 4.281 4.340 0.001 0.000 0.230 545 R C 2.097 178.127 176.300 -0.451 0.000 1.111 545 R CA 1.490 57.480 56.100 -0.184 0.000 0.976 545 R CB -0.291 29.913 30.300 -0.160 0.000 0.870 545 R HN 0.464 nan 8.270 nan 0.000 0.445 546 I N -1.910 118.325 120.570 -0.558 0.000 3.810 546 I HA 0.286 4.457 4.170 0.001 0.000 0.322 546 I C 0.322 176.413 176.117 -0.044 0.000 1.288 546 I CA -0.525 60.350 61.300 -0.708 0.000 1.143 546 I CB 0.030 37.693 38.000 -0.561 0.000 1.012 546 I HN -0.168 nan 8.210 nan 0.000 0.423 547 A N 1.529 124.340 122.820 -0.015 0.000 2.540 547 A HA 0.404 4.725 4.320 0.001 0.000 0.239 547 A C 1.582 179.229 177.584 0.105 0.000 1.061 547 A CA 0.683 52.737 52.037 0.028 0.000 0.758 547 A CB -0.530 18.454 19.000 -0.027 0.000 0.991 547 A HN 1.199 nan 8.150 nan 0.000 0.502 548 G N 0.263 109.067 108.800 0.006 0.000 2.179 548 G HA2 -0.252 3.709 3.960 0.001 0.000 0.260 548 G HA3 -0.252 3.709 3.960 0.001 0.000 0.260 548 G C -0.097 174.741 174.900 -0.104 0.000 0.977 548 G CA 0.865 45.919 45.100 -0.077 0.000 0.641 548 G HN 0.942 nan 8.290 nan 0.000 0.533 549 Y N -1.186 119.246 120.300 0.219 0.000 2.536 549 Y HA 0.633 5.184 4.550 0.001 0.000 0.347 549 Y C 1.262 177.241 175.900 0.131 0.000 1.000 549 Y CA -0.296 57.947 58.100 0.238 0.000 1.051 549 Y CB 1.792 40.483 38.460 0.384 0.000 1.259 549 Y HN 0.125 nan 8.280 nan 0.000 0.468 550 A N 1.253 124.214 122.820 0.235 0.000 2.015 550 A HA 0.128 4.449 4.320 0.001 0.000 0.219 550 A C 0.547 178.181 177.584 0.082 0.000 1.163 550 A CA 1.549 53.659 52.037 0.121 0.000 0.646 550 A CB -0.396 18.664 19.000 0.100 0.000 0.806 550 A HN 0.672 nan 8.150 nan 0.000 0.448 551 S N -4.355 111.411 115.700 0.109 0.000 2.587 551 S HA 0.495 4.966 4.470 0.001 0.000 0.269 551 S C -2.747 171.879 174.600 0.043 0.000 1.154 551 S CA -0.729 57.480 58.200 0.014 0.000 0.824 551 S CB 0.993 64.196 63.200 0.005 0.000 1.118 551 S HN -0.122 nan 8.310 nan 0.000 0.462 552 P HA -0.139 nan 4.420 nan 0.000 0.216 552 P C 1.839 179.233 177.300 0.157 0.000 1.153 552 P CA 2.023 65.127 63.100 0.006 0.000 0.858 552 P CB -0.203 31.441 31.700 -0.093 0.000 0.789 553 V N -3.037 116.945 119.914 0.113 0.000 2.488 553 V HA -0.144 3.977 4.120 0.001 0.000 0.246 553 V C 1.721 177.923 176.094 0.180 0.000 1.046 553 V CA 2.017 64.398 62.300 0.135 0.000 1.053 553 V CB -1.533 30.334 31.823 0.074 0.000 0.679 553 V HN -0.063 nan 8.190 nan 0.000 0.458 554 D N 0.288 120.789 120.400 0.168 0.000 2.149 554 D HA -0.145 4.495 4.640 0.001 0.000 0.198 554 D C 1.752 178.189 176.300 0.229 0.000 0.990 554 D CA 1.630 55.743 54.000 0.188 0.000 0.839 554 D CB -0.431 40.484 40.800 0.192 0.000 0.948 554 D HN 0.553 nan 8.370 nan 0.000 0.460 555 F N 0.240 120.244 119.950 0.091 0.000 2.095 555 F HA -0.265 4.262 4.527 0.001 0.000 0.298 555 F C 2.229 177.986 175.800 -0.073 0.000 1.104 555 F CA 1.308 59.257 58.000 -0.085 0.000 1.232 555 F CB -0.592 38.379 39.000 -0.047 0.000 0.987 555 F HN -0.031 nan 8.300 nan 0.000 0.475 556 Y N 0.093 120.378 120.300 -0.025 0.000 2.133 556 Y HA -0.204 4.346 4.550 0.000 0.000 0.287 556 Y C 2.389 178.207 175.900 -0.137 0.000 1.134 556 Y CA 2.211 60.251 58.100 -0.101 0.000 1.133 556 Y CB -0.711 37.776 38.460 0.045 0.000 0.987 556 Y HN -0.084 nan 8.280 nan 0.000 0.502 557 V N 0.448 120.423 119.914 0.103 0.000 2.287 557 V HA -0.328 3.792 4.120 0.001 0.000 0.248 557 V C 1.927 177.974 176.094 -0.077 0.000 1.053 557 V CA 2.263 64.573 62.300 0.018 0.000 1.027 557 V CB -0.726 31.137 31.823 0.066 0.000 0.646 557 V HN 0.384 nan 8.190 nan 0.000 0.447 558 D N -0.217 120.146 120.400 -0.062 0.000 2.117 558 D HA -0.130 4.511 4.640 0.001 0.000 0.197 558 D C 2.275 178.483 176.300 -0.155 0.000 0.987 558 D CA 1.018 55.000 54.000 -0.031 0.000 0.829 558 D CB -0.265 40.633 40.800 0.164 0.000 0.961 558 D HN 0.281 nan 8.370 nan 0.000 0.460 559 K N 0.303 120.468 120.400 -0.393 0.000 2.097 559 K HA 0.003 4.324 4.320 0.001 0.000 0.205 559 K C 2.322 178.739 176.600 -0.305 0.000 1.050 559 K CA 0.292 56.320 56.287 -0.432 0.000 0.938 559 K CB -0.252 31.791 32.500 -0.762 0.000 0.718 559 K HN 0.284 nan 8.250 nan 0.000 0.442 560 I N 0.953 121.325 120.570 -0.330 0.000 2.202 560 I HA -0.263 3.908 4.170 0.001 0.000 0.242 560 I C 2.462 178.486 176.117 -0.156 0.000 1.091 560 I CA 1.079 62.226 61.300 -0.256 0.000 1.368 560 I CB -0.400 37.426 38.000 -0.291 0.000 1.058 560 I HN 0.043 nan 8.210 nan 0.000 0.410 561 A N 0.577 123.324 122.820 -0.122 0.000 1.883 561 A HA -0.259 4.062 4.320 0.001 0.000 0.217 561 A C 2.194 179.742 177.584 -0.059 0.000 1.186 561 A CA 1.914 53.907 52.037 -0.072 0.000 0.624 561 A CB -0.674 18.302 19.000 -0.041 0.000 0.822 561 A HN 0.450 nan 8.150 nan 0.000 0.444 562 E N -0.862 119.307 120.200 -0.053 0.000 2.058 562 E HA -0.139 4.212 4.350 0.001 0.000 0.194 562 E C 2.187 178.753 176.600 -0.057 0.000 0.997 562 E CA 0.921 57.306 56.400 -0.025 0.000 0.801 562 E CB -0.423 29.284 29.700 0.011 0.000 0.746 562 E HN 0.613 nan 8.360 nan 0.000 0.450 563 G N 0.671 109.420 108.800 -0.085 0.000 2.418 563 G HA2 -0.226 3.735 3.960 0.001 0.000 0.217 563 G HA3 -0.226 3.735 3.960 0.001 0.000 0.217 563 G C 1.729 176.570 174.900 -0.099 0.000 1.158 563 G CA 0.833 45.879 45.100 -0.091 0.000 0.771 563 G HN 0.127 nan 8.290 nan 0.000 0.545 564 V N 1.407 121.265 119.914 -0.092 0.000 2.379 564 V HA -0.017 4.103 4.120 0.001 0.000 0.245 564 V C 3.297 179.344 176.094 -0.079 0.000 1.044 564 V CA 1.736 63.986 62.300 -0.083 0.000 1.036 564 V CB -0.737 31.039 31.823 -0.078 0.000 0.664 564 V HN 0.457 nan 8.190 nan 0.000 0.453 565 A N 0.072 122.846 122.820 -0.075 0.000 1.908 565 A HA -0.250 4.070 4.320 0.001 0.000 0.218 565 A C 2.400 179.913 177.584 -0.117 0.000 1.181 565 A CA 2.659 54.643 52.037 -0.088 0.000 0.627 565 A CB -1.010 17.951 19.000 -0.065 0.000 0.818 565 A HN 0.502 nan 8.150 nan 0.000 0.445 566 T N 0.478 114.972 114.554 -0.100 0.000 2.674 566 T HA -0.111 4.239 4.350 0.001 0.000 0.265 566 T C 1.844 176.465 174.700 -0.131 0.000 1.039 566 T CA 1.537 63.566 62.100 -0.120 0.000 1.150 566 T CB -0.438 68.303 68.868 -0.212 0.000 0.864 566 T HN 0.373 nan 8.240 nan 0.000 0.427 567 L N 0.748 121.889 121.223 -0.137 0.000 2.012 567 L HA -0.149 4.192 4.340 0.001 0.000 0.210 567 L C 3.045 179.885 176.870 -0.051 0.000 1.073 567 L CA 1.431 56.211 54.840 -0.101 0.000 0.748 567 L CB -0.683 41.322 42.059 -0.089 0.000 0.891 567 L HN 0.258 nan 8.230 nan 0.000 0.431 568 A N -0.222 122.566 122.820 -0.053 0.000 1.933 568 A HA -0.132 4.189 4.320 0.001 0.000 0.218 568 A C 2.494 180.066 177.584 -0.020 0.000 1.175 568 A CA 1.602 53.630 52.037 -0.015 0.000 0.628 568 A CB -0.659 18.335 19.000 -0.011 0.000 0.814 568 A HN 0.414 nan 8.150 nan 0.000 0.444 569 A N 0.332 123.039 122.820 -0.188 0.000 1.969 569 A HA -0.061 4.259 4.320 0.001 0.000 0.218 569 A C 2.470 180.042 177.584 -0.021 0.000 1.169 569 A CA 2.110 53.847 52.037 -0.500 0.000 0.635 569 A CB -0.879 17.600 19.000 -0.867 0.000 0.810 569 A HN 0.996 nan 8.150 nan 0.000 0.445 570 S N -0.074 115.679 115.700 0.088 0.000 2.382 570 S HA -0.110 4.360 4.470 0.001 0.000 0.228 570 S C 1.461 176.061 174.600 -0.001 0.000 1.027 570 S CA 1.693 59.924 58.200 0.051 0.000 0.991 570 S CB -0.776 62.437 63.200 0.021 0.000 0.823 570 S HN 1.136 nan 8.310 nan 0.000 0.469 571 V N -3.516 116.455 119.914 0.095 0.000 3.477 571 V HA 0.447 4.567 4.120 0.001 0.000 0.297 571 V C 0.552 176.755 176.094 0.181 0.000 1.433 571 V CA -0.979 61.388 62.300 0.111 0.000 1.052 571 V CB -1.662 30.199 31.823 0.063 0.000 0.895 571 V HN 0.394 nan 8.190 nan 0.000 0.438 572 Y N 4.785 125.161 120.300 0.126 0.000 2.895 572 Y HA 0.232 4.782 4.550 0.000 0.000 0.334 572 Y C -1.427 174.597 175.900 0.207 0.000 1.261 572 Y CA -0.878 57.328 58.100 0.178 0.000 1.560 572 Y CB 0.867 39.493 38.460 0.277 0.000 1.253 572 Y HN 0.223 nan 8.280 nan 0.000 0.582 573 P HA 0.197 nan 4.420 nan 0.000 0.254 573 P C -0.606 176.470 177.300 -0.373 0.000 1.620 573 P CA 0.103 62.597 63.100 -1.010 0.000 1.050 573 P CB 0.233 31.336 31.700 -0.995 0.000 1.539 574 R N 0.819 121.242 120.500 -0.128 0.000 2.560 574 R HA 0.279 4.619 4.340 0.001 0.000 0.270 574 R C 0.670 176.942 176.300 -0.047 0.000 1.074 574 R CA -0.637 55.426 56.100 -0.061 0.000 1.140 574 R CB 0.908 31.208 30.300 -0.001 0.000 1.073 574 R HN -0.015 nan 8.270 nan 0.000 0.527 575 K N 1.074 121.443 120.400 -0.051 0.000 2.484 575 K HA -0.022 4.298 4.320 0.001 0.000 0.280 575 K C -0.975 175.599 176.600 -0.042 0.000 1.013 575 K CA 0.757 57.007 56.287 -0.061 0.000 1.029 575 K CB 0.460 32.904 32.500 -0.093 0.000 0.902 575 K HN 0.436 nan 8.250 nan 0.000 0.481 576 T N 6.068 120.599 114.554 -0.038 0.000 2.892 576 T HA 0.344 4.694 4.350 0.001 0.000 0.311 576 T C -0.182 174.493 174.700 -0.042 0.000 1.033 576 T CA -0.581 61.501 62.100 -0.029 0.000 0.991 576 T CB 0.259 69.121 68.868 -0.010 0.000 0.981 576 T HN 0.456 nan 8.240 nan 0.000 0.457 577 I N 3.387 123.927 120.570 -0.049 0.000 2.291 577 I HA 0.277 4.447 4.170 0.001 0.000 0.292 577 I C -0.002 176.101 176.117 -0.024 0.000 1.064 577 I CA -0.803 60.469 61.300 -0.046 0.000 1.269 577 I CB 0.839 38.802 38.000 -0.061 0.000 1.418 577 I HN 0.248 nan 8.210 nan 0.000 0.485 578 V N 7.222 127.125 119.914 -0.019 0.000 2.368 578 V HA 0.223 4.343 4.120 0.001 0.000 0.266 578 V C 0.683 176.775 176.094 -0.004 0.000 1.045 578 V CA -0.557 61.730 62.300 -0.021 0.000 0.899 578 V CB 0.888 32.692 31.823 -0.032 0.000 1.006 578 V HN 0.672 nan 8.190 nan 0.000 0.470 579 R N 5.627 126.123 120.500 -0.005 0.000 2.296 579 R HA 0.357 4.697 4.340 0.001 0.000 0.323 579 R C 0.277 176.583 176.300 0.010 0.000 1.067 579 R CA -0.349 55.760 56.100 0.016 0.000 0.946 579 R CB 0.350 30.654 30.300 0.007 0.000 0.991 579 R HN 0.669 nan 8.270 nan 0.000 0.448 580 M N 1.903 121.534 119.600 0.053 0.000 2.184 580 M HA 0.002 4.482 4.480 0.001 0.000 0.296 580 M C 0.716 177.080 176.300 0.106 0.000 1.165 580 M CA 0.375 55.702 55.300 0.044 0.000 1.175 580 M CB 0.466 33.074 32.600 0.014 0.000 1.392 580 M HN 0.624 nan 8.290 nan 0.000 0.457 581 S N -0.127 115.634 115.700 0.102 0.000 2.533 581 S HA 0.064 4.535 4.470 0.001 0.000 0.282 581 S C -0.158 174.505 174.600 0.105 0.000 1.304 581 S CA -0.701 57.506 58.200 0.012 0.000 1.063 581 S CB 0.637 63.855 63.200 0.030 0.000 0.881 581 S HN 0.709 nan 8.310 nan 0.000 0.493 582 D N 0.867 121.213 120.400 -0.091 0.000 2.559 582 D HA 0.270 4.910 4.640 0.001 0.000 0.234 582 D C -0.931 175.353 176.300 -0.026 0.000 1.226 582 D CA -0.576 53.400 54.000 -0.041 0.000 0.830 582 D CB -0.141 40.631 40.800 -0.046 0.000 1.028 582 D HN 0.396 nan 8.370 nan 0.000 0.492 583 F N 1.637 121.538 119.950 -0.081 0.000 2.484 583 F HA 0.267 4.794 4.527 0.001 0.000 0.360 583 F C 1.334 177.085 175.800 -0.081 0.000 1.101 583 F CA -0.416 57.477 58.000 -0.178 0.000 1.251 583 F CB 0.577 39.229 39.000 -0.579 0.000 1.132 583 F HN -0.226 nan 8.300 nan 0.000 0.570 584 K N 1.243 121.717 120.400 0.123 0.000 2.168 584 K HA 0.153 4.473 4.320 0.001 0.000 0.258 584 K C 1.183 177.845 176.600 0.103 0.000 1.010 584 K CA 0.203 56.505 56.287 0.025 0.000 0.929 584 K CB 0.706 33.181 32.500 -0.041 0.000 0.998 584 K HN 0.666 nan 8.250 nan 0.000 0.479 585 S N 0.757 116.524 115.700 0.111 0.000 2.419 585 S HA -0.195 4.275 4.470 0.001 0.000 0.233 585 S C 1.435 176.110 174.600 0.126 0.000 1.016 585 S CA 1.563 59.877 58.200 0.190 0.000 0.974 585 S CB -0.520 62.772 63.200 0.152 0.000 0.786 585 S HN 0.751 nan 8.310 nan 0.000 0.492 586 N N 2.054 120.772 118.700 0.030 0.000 2.381 586 N HA -0.111 4.629 4.740 0.001 0.000 0.182 586 N C 1.256 176.726 175.510 -0.065 0.000 1.025 586 N CA 1.418 54.470 53.050 0.004 0.000 0.888 586 N CB -0.603 37.877 38.487 -0.012 0.000 0.965 586 N HN 0.664 nan 8.380 nan 0.000 0.438 587 E N -0.973 119.117 120.200 -0.183 0.000 2.122 587 E HA -0.034 4.317 4.350 0.001 0.000 0.190 587 E C 1.111 177.348 176.600 -0.604 0.000 0.977 587 E CA 0.500 56.594 56.400 -0.510 0.000 0.820 587 E CB -0.225 28.967 29.700 -0.848 0.000 0.770 587 E HN 0.312 nan 8.360 nan 0.000 0.462 588 Y N 0.936 121.039 120.300 -0.329 0.000 2.274 588 Y HA -0.155 4.395 4.550 0.001 0.000 0.290 588 Y C 2.354 178.339 175.900 0.141 0.000 1.145 588 Y CA 1.062 59.119 58.100 -0.071 0.000 1.203 588 Y CB -0.423 38.098 38.460 0.103 0.000 0.984 588 Y HN 0.052 nan 8.280 nan 0.000 0.533 589 A N 0.292 123.259 122.820 0.245 0.000 1.940 589 A HA -0.253 4.068 4.320 0.001 0.000 0.219 589 A C 1.862 179.512 177.584 0.110 0.000 1.176 589 A CA 2.079 54.227 52.037 0.184 0.000 0.631 589 A CB -0.944 18.129 19.000 0.123 0.000 0.814 589 A HN 0.627 nan 8.150 nan 0.000 0.446 590 N N -0.547 118.169 118.700 0.026 0.000 2.512 590 N HA 0.139 4.879 4.740 0.001 0.000 0.183 590 N C 0.134 175.658 175.510 0.023 0.000 1.073 590 N CA -0.130 52.919 53.050 -0.001 0.000 0.911 590 N CB -0.198 38.251 38.487 -0.063 0.000 0.964 590 N HN 0.445 nan 8.380 nan 0.000 0.447 591 L N 1.217 122.479 121.223 0.064 0.000 2.473 591 L HA 0.117 4.458 4.340 0.001 0.000 0.268 591 L C 0.725 177.691 176.870 0.159 0.000 1.215 591 L CA -0.697 54.216 54.840 0.122 0.000 0.823 591 L CB 0.282 42.459 42.059 0.196 0.000 1.099 591 L HN -0.024 nan 8.230 nan 0.000 0.483 592 V N 0.084 120.090 119.914 0.155 0.000 2.572 592 V HA 0.470 4.590 4.120 0.001 0.000 0.291 592 V C 0.994 177.198 176.094 0.184 0.000 1.039 592 V CA 0.282 62.664 62.300 0.136 0.000 1.055 592 V CB 0.309 32.195 31.823 0.106 0.000 0.969 592 V HN 1.036 nan 8.190 nan 0.000 0.482 593 G N 3.098 111.979 108.800 0.136 0.000 2.159 593 G HA2 -0.177 3.784 3.960 0.001 0.000 0.256 593 G HA3 -0.177 3.784 3.960 0.001 0.000 0.256 593 G C 0.833 175.824 174.900 0.152 0.000 0.977 593 G CA 0.405 45.588 45.100 0.137 0.000 0.652 593 G HN 1.753 nan 8.290 nan 0.000 0.531 594 G N 0.024 108.932 108.800 0.180 0.000 2.510 594 G HA2 0.033 3.993 3.960 0.001 0.000 0.212 594 G HA3 0.033 3.993 3.960 0.001 0.000 0.212 594 G C 1.293 176.258 174.900 0.108 0.000 1.151 594 G CA 1.206 46.456 45.100 0.250 0.000 0.817 594 G HN 0.547 nan 8.290 nan 0.000 0.534 595 N N 0.203 118.929 118.700 0.043 0.000 2.094 595 N HA -0.142 4.599 4.740 0.001 0.000 0.191 595 N C 2.029 177.496 175.510 -0.072 0.000 1.023 595 N CA 1.237 54.293 53.050 0.010 0.000 0.857 595 N CB -0.181 38.302 38.487 -0.006 0.000 1.013 595 N HN 0.116 nan 8.380 nan 0.000 0.426 596 V N -0.176 119.601 119.914 -0.229 0.000 2.828 596 V HA -0.209 3.911 4.120 0.001 0.000 0.260 596 V C 0.552 176.397 176.094 -0.415 0.000 1.101 596 V CA 1.570 63.646 62.300 -0.374 0.000 1.123 596 V CB -0.490 31.009 31.823 -0.540 0.000 0.704 596 V HN 0.384 nan 8.190 nan 0.000 0.493 597 Y N -0.343 119.906 120.300 -0.084 0.000 2.449 597 Y HA 0.409 4.960 4.550 0.001 0.000 0.254 597 Y C 0.891 176.870 175.900 0.133 0.000 1.140 597 Y CA -0.584 57.487 58.100 -0.049 0.000 1.272 597 Y CB 0.561 38.841 38.460 -0.300 0.000 1.114 597 Y HN 0.245 nan 8.280 nan 0.000 0.525 598 E N 0.820 121.148 120.200 0.213 0.000 2.873 598 E HA 0.316 4.666 4.350 0.001 0.000 0.232 598 E C -2.741 173.934 176.600 0.125 0.000 1.123 598 E CA -1.947 54.581 56.400 0.213 0.000 0.809 598 E CB 0.970 30.829 29.700 0.265 0.000 1.366 598 E HN 0.103 nan 8.360 nan 0.000 0.400 599 P HA 0.006 nan 4.420 nan 0.000 0.269 599 P C -0.085 177.266 177.300 0.085 0.000 1.209 599 P CA -0.060 63.083 63.100 0.072 0.000 0.776 599 P CB 0.422 32.145 31.700 0.039 0.000 0.876 600 H N 1.329 120.408 119.070 0.015 0.000 2.928 600 H HA 0.087 4.643 4.556 0.001 0.000 0.338 600 H C -0.105 175.229 175.328 0.010 0.000 1.047 600 H CA 0.698 56.754 56.048 0.013 0.000 1.435 600 H CB 0.350 30.114 29.762 0.005 0.000 1.428 600 H HN 0.333 nan 8.280 nan 0.000 0.590 601 E N 3.822 123.705 120.200 -0.528 0.000 2.207 601 E HA 0.078 4.429 4.350 0.001 0.000 0.270 601 E C 0.499 176.805 176.600 -0.490 0.000 0.927 601 E CA -0.880 55.309 56.400 -0.351 0.000 0.799 601 E CB 1.542 31.124 29.700 -0.196 0.000 1.172 601 E HN 0.703 nan 8.360 nan 0.000 0.404 602 E N 1.134 121.231 120.200 -0.172 0.000 2.106 602 E HA -0.064 4.287 4.350 0.001 0.000 0.192 602 E C -0.107 176.455 176.600 -0.063 0.000 0.984 602 E CA 1.033 57.398 56.400 -0.059 0.000 0.806 602 E CB 0.125 29.828 29.700 0.007 0.000 0.750 602 E HN 0.385 nan 8.360 nan 0.000 0.458 603 N N 0.580 119.238 118.700 -0.070 0.000 2.762 603 N HA 0.143 4.883 4.740 0.001 0.000 0.252 603 N C -2.299 173.174 175.510 -0.061 0.000 1.269 603 N CA -1.019 52.004 53.050 -0.046 0.000 0.799 603 N CB 1.819 40.298 38.487 -0.012 0.000 1.173 603 N HN -0.114 nan 8.380 nan 0.000 0.516 604 P HA -0.105 nan 4.420 nan 0.000 0.216 604 P C 1.544 178.784 177.300 -0.099 0.000 1.150 604 P CA 1.196 64.241 63.100 -0.092 0.000 0.843 604 P CB 0.388 32.034 31.700 -0.090 0.000 0.787 605 M N -1.690 117.865 119.600 -0.075 0.000 2.267 605 M HA -0.120 4.360 4.480 0.001 0.000 0.263 605 M C 1.295 177.546 176.300 -0.081 0.000 1.063 605 M CA 1.519 56.771 55.300 -0.080 0.000 1.090 605 M CB -0.443 32.156 32.600 -0.003 0.000 1.392 605 M HN -0.052 nan 8.290 nan 0.000 0.422 606 L N -1.400 119.809 121.223 -0.024 0.000 2.959 606 L HA 0.303 4.644 4.340 0.001 0.000 0.259 606 L C 1.045 177.930 176.870 0.024 0.000 1.185 606 L CA -0.662 54.211 54.840 0.055 0.000 0.998 606 L CB 0.039 42.137 42.059 0.065 0.000 1.337 606 L HN 0.152 nan 8.230 nan 0.000 0.555 607 G N -0.544 108.229 108.800 -0.044 0.000 2.940 607 G HA2 0.166 4.126 3.960 0.001 0.000 0.164 607 G HA3 0.166 4.126 3.960 0.001 0.000 0.164 607 G C -0.949 173.963 174.900 0.020 0.000 1.326 607 G CA -0.419 44.681 45.100 -0.001 0.000 1.020 607 G HN -0.087 nan 8.290 nan 0.000 0.586 608 F N 2.557 122.426 119.950 -0.136 0.000 2.439 608 F HA 0.532 5.060 4.527 0.000 0.000 0.356 608 F C 0.804 176.487 175.800 -0.195 0.000 1.161 608 F CA -0.823 57.078 58.000 -0.165 0.000 1.151 608 F CB -0.421 38.468 39.000 -0.186 0.000 1.222 608 F HN 0.485 nan 8.300 nan 0.000 0.558 609 R N 3.570 123.797 120.500 -0.455 0.000 2.709 609 R HA 0.680 5.020 4.340 0.001 0.000 0.270 609 R C 0.039 176.047 176.300 -0.486 0.000 1.038 609 R CA -0.576 55.252 56.100 -0.452 0.000 0.872 609 R CB 0.594 30.653 30.300 -0.401 0.000 1.259 609 R HN 0.945 nan 8.270 nan 0.000 0.473 610 G N 0.560 109.052 108.800 -0.513 0.000 2.539 610 G HA2 -0.222 3.739 3.960 0.001 0.000 0.256 610 G HA3 -0.222 3.739 3.960 0.001 0.000 0.256 610 G C 0.863 175.084 174.900 -1.131 0.000 1.233 610 G CA 0.824 45.537 45.100 -0.644 0.000 0.936 610 G HN 1.303 nan 8.290 nan 0.000 0.571 611 A N -0.721 121.660 122.820 -0.732 0.000 1.917 611 A HA 0.160 4.480 4.320 0.001 0.000 0.219 611 A C 3.070 180.401 177.584 -0.421 0.000 1.182 611 A CA 3.969 55.676 52.037 -0.549 0.000 0.633 611 A CB -1.147 17.754 19.000 -0.165 0.000 0.819 611 A HN 2.420 nan 8.150 nan 0.000 0.448 612 A N -0.416 122.211 122.820 -0.321 0.000 1.902 612 A HA -0.187 4.133 4.320 0.001 0.000 0.217 612 A C 2.260 179.653 177.584 -0.318 0.000 1.181 612 A CA 1.832 53.752 52.037 -0.195 0.000 0.623 612 A CB -0.504 18.449 19.000 -0.078 0.000 0.818 612 A HN 0.602 nan 8.150 nan 0.000 0.443 613 R N -1.757 118.302 120.500 -0.735 0.000 2.092 613 R HA -0.165 4.176 4.340 0.001 0.000 0.231 613 R C 1.792 177.901 176.300 -0.319 0.000 1.119 613 R CA 1.733 57.239 56.100 -0.989 0.000 0.970 613 R CB -0.403 29.193 30.300 -1.172 0.000 0.864 613 R HN 0.539 nan 8.270 nan 0.000 0.440 614 Y N -0.033 120.042 120.300 -0.375 0.000 2.274 614 Y HA -0.116 4.434 4.550 -0.000 0.000 0.290 614 Y C 2.202 177.828 175.900 -0.458 0.000 1.145 614 Y CA 0.989 58.750 58.100 -0.565 0.000 1.203 614 Y CB -0.499 37.289 38.460 -1.121 0.000 0.984 614 Y HN 0.096 nan 8.280 nan 0.000 0.533 615 V N -2.829 117.009 119.914 -0.126 0.000 3.578 615 V HA 0.578 4.699 4.120 0.001 0.000 0.290 615 V C 0.997 177.127 176.094 0.060 0.000 1.376 615 V CA -0.285 61.985 62.300 -0.050 0.000 1.083 615 V CB -1.053 30.736 31.823 -0.056 0.000 0.911 615 V HN 0.134 nan 8.190 nan 0.000 0.433 616 A N 0.983 123.881 122.820 0.129 0.000 2.492 616 A HA 0.226 4.546 4.320 0.001 0.000 0.254 616 A C 1.077 178.812 177.584 0.253 0.000 1.091 616 A CA 0.622 52.814 52.037 0.259 0.000 0.768 616 A CB -0.050 19.270 19.000 0.533 0.000 1.028 616 A HN 0.493 nan 8.150 nan 0.000 0.498 617 D N 1.798 122.306 120.400 0.180 0.000 2.190 617 D HA -0.211 4.430 4.640 0.001 0.000 0.200 617 D C 1.599 177.970 176.300 0.117 0.000 0.992 617 D CA 2.331 56.406 54.000 0.126 0.000 0.854 617 D CB -0.124 40.727 40.800 0.084 0.000 0.936 617 D HN 0.873 nan 8.370 nan 0.000 0.462 618 N N -1.289 117.519 118.700 0.180 0.000 2.381 618 N HA -0.110 4.630 4.740 0.001 0.000 0.182 618 N C 0.430 175.849 175.510 -0.152 0.000 1.025 618 N CA 0.563 53.655 53.050 0.070 0.000 0.888 618 N CB 0.015 38.623 38.487 0.202 0.000 0.965 618 N HN 0.231 nan 8.380 nan 0.000 0.438 619 F N -0.086 119.940 119.950 0.126 0.000 2.859 619 F HA 0.292 4.819 4.527 -0.000 0.000 0.324 619 F C 1.512 177.378 175.800 0.110 0.000 1.158 619 F CA -0.804 57.260 58.000 0.106 0.000 1.147 619 F CB 0.598 39.678 39.000 0.134 0.000 1.137 619 F HN -0.047 nan 8.300 nan 0.000 0.516 620 K N -0.337 120.193 120.400 0.218 0.000 2.155 620 K HA -0.077 4.244 4.320 0.001 0.000 0.203 620 K C 0.642 177.358 176.600 0.193 0.000 1.052 620 K CA 1.804 58.224 56.287 0.220 0.000 0.948 620 K CB -0.161 32.438 32.500 0.166 0.000 0.728 620 K HN -0.003 nan 8.250 nan 0.000 0.448 621 D N 0.994 121.455 120.400 0.101 0.000 2.264 621 D HA -0.072 4.569 4.640 0.001 0.000 0.208 621 D C 1.549 177.876 176.300 0.045 0.000 0.966 621 D CA 0.745 54.777 54.000 0.054 0.000 0.864 621 D CB -0.194 40.605 40.800 -0.001 0.000 0.933 621 D HN 0.325 nan 8.370 nan 0.000 0.499 622 C N -0.221 119.124 119.300 0.075 0.000 2.492 622 C HA 0.018 4.479 4.460 0.001 0.000 0.279 622 C C 2.370 177.443 174.990 0.137 0.000 1.335 622 C CA -0.467 58.582 59.018 0.052 0.000 1.734 622 C CB -1.038 26.755 27.740 0.088 0.000 2.027 622 C HN 0.267 nan 8.230 nan 0.000 0.496 623 F N 2.775 122.756 119.950 0.052 0.000 2.134 623 F HA -0.057 4.470 4.527 -0.001 0.000 0.299 623 F C 2.351 178.147 175.800 -0.006 0.000 1.097 623 F CA 1.367 59.367 58.000 -0.001 0.000 1.264 623 F CB -0.589 38.422 39.000 0.019 0.000 1.001 623 F HN 0.156 nan 8.300 nan 0.000 0.479 624 A N 0.119 122.940 122.820 0.001 0.000 1.986 624 A HA -0.179 4.142 4.320 0.001 0.000 0.220 624 A C 2.072 179.598 177.584 -0.096 0.000 1.171 624 A CA 1.819 53.810 52.037 -0.075 0.000 0.640 624 A CB -1.049 17.969 19.000 0.029 0.000 0.811 624 A HN 0.410 nan 8.150 nan 0.000 0.451 625 L N -0.568 120.635 121.223 -0.033 0.000 2.044 625 L HA -0.081 4.259 4.340 0.001 0.000 0.205 625 L C 2.380 179.270 176.870 0.033 0.000 1.075 625 L CA 2.215 57.078 54.840 0.037 0.000 0.747 625 L CB -0.931 41.184 42.059 0.093 0.000 0.903 625 L HN 0.591 nan 8.230 nan 0.000 0.435 626 E N -1.411 118.784 120.200 -0.009 0.000 2.106 626 E HA -0.213 4.137 4.350 0.001 0.000 0.192 626 E C 2.320 178.785 176.600 -0.224 0.000 0.984 626 E CA 1.300 57.646 56.400 -0.089 0.000 0.806 626 E CB 0.021 29.657 29.700 -0.105 0.000 0.750 626 E HN 0.522 nan 8.360 nan 0.000 0.458 627 C N 0.673 119.749 119.300 -0.374 0.000 2.440 627 C HA -0.058 4.403 4.460 0.001 0.000 0.278 627 C C 2.541 177.428 174.990 -0.172 0.000 1.295 627 C CA 0.680 59.493 59.018 -0.342 0.000 1.738 627 C CB -0.667 26.808 27.740 -0.442 0.000 1.987 627 C HN 0.444 nan 8.230 nan 0.000 0.492 628 K N 1.043 121.370 120.400 -0.121 0.000 2.097 628 K HA -0.150 4.171 4.320 0.001 0.000 0.206 628 K C 2.117 178.687 176.600 -0.050 0.000 1.049 628 K CA 1.573 57.824 56.287 -0.060 0.000 0.933 628 K CB -0.244 32.241 32.500 -0.026 0.000 0.717 628 K HN 0.445 nan 8.250 nan 0.000 0.442 629 A N 1.247 124.032 122.820 -0.059 0.000 1.873 629 A HA -0.124 4.196 4.320 0.001 0.000 0.215 629 A C 2.096 179.641 177.584 -0.064 0.000 1.186 629 A CA 1.255 53.255 52.037 -0.060 0.000 0.616 629 A CB -0.629 18.321 19.000 -0.083 0.000 0.823 629 A HN 0.284 nan 8.150 nan 0.000 0.442 630 L N -0.672 120.502 121.223 -0.082 0.000 2.046 630 L HA -0.196 4.145 4.340 0.001 0.000 0.208 630 L C 2.661 179.503 176.870 -0.046 0.000 1.077 630 L CA 1.927 56.726 54.840 -0.068 0.000 0.747 630 L CB -0.499 41.509 42.059 -0.084 0.000 0.896 630 L HN 0.459 nan 8.230 nan 0.000 0.432 631 K N 0.524 120.894 120.400 -0.050 0.000 2.057 631 K HA -0.224 4.097 4.320 0.001 0.000 0.207 631 K C 2.354 178.944 176.600 -0.017 0.000 1.049 631 K CA 1.267 57.536 56.287 -0.030 0.000 0.931 631 K CB -0.002 32.478 32.500 -0.033 0.000 0.714 631 K HN 0.124 nan 8.250 nan 0.000 0.440 632 R N 0.445 120.934 120.500 -0.020 0.000 2.073 632 R HA -0.124 4.217 4.340 0.001 0.000 0.234 632 R C 2.074 178.370 176.300 -0.006 0.000 1.134 632 R CA 1.607 57.701 56.100 -0.010 0.000 0.952 632 R CB -0.297 29.997 30.300 -0.010 0.000 0.850 632 R HN 0.048 nan 8.270 nan 0.000 0.433 633 V N 1.248 121.153 119.914 -0.014 0.000 2.324 633 V HA -0.294 3.826 4.120 0.001 0.000 0.250 633 V C 2.487 178.584 176.094 0.006 0.000 1.060 633 V CA 2.238 64.532 62.300 -0.012 0.000 1.042 633 V CB -0.526 31.282 31.823 -0.025 0.000 0.650 633 V HN 0.423 nan 8.190 nan 0.000 0.450 634 R N -0.445 120.060 120.500 0.008 0.000 2.066 634 R HA -0.045 4.295 4.340 0.001 0.000 0.224 634 R C 1.935 178.251 176.300 0.028 0.000 1.122 634 R CA 1.414 57.529 56.100 0.025 0.000 0.974 634 R CB -0.296 30.016 30.300 0.019 0.000 0.871 634 R HN 0.468 nan 8.270 nan 0.000 0.435 635 D N -0.122 120.288 120.400 0.016 0.000 2.305 635 D HA -0.026 4.614 4.640 0.001 0.000 0.206 635 D C 1.178 177.488 176.300 0.017 0.000 0.974 635 D CA 0.969 54.980 54.000 0.017 0.000 0.871 635 D CB 0.411 41.217 40.800 0.010 0.000 0.947 635 D HN 0.212 nan 8.370 nan 0.000 0.516 636 E N -0.817 119.391 120.200 0.014 0.000 2.279 636 E HA 0.236 4.587 4.350 0.001 0.000 0.199 636 E C 1.782 178.392 176.600 0.017 0.000 0.893 636 E CA -0.015 56.393 56.400 0.013 0.000 0.978 636 E CB 0.301 30.005 29.700 0.007 0.000 0.964 636 E HN -0.011 nan 8.360 nan 0.000 0.486 637 M N -0.163 119.447 119.600 0.017 0.000 2.557 637 M HA 0.084 4.565 4.480 0.001 0.000 0.259 637 M C 0.952 177.275 176.300 0.039 0.000 1.086 637 M CA 1.088 56.402 55.300 0.022 0.000 1.096 637 M CB 0.192 32.798 32.600 0.011 0.000 1.424 637 M HN 0.361 nan 8.290 nan 0.000 0.488 638 G N 1.550 110.379 108.800 0.048 0.000 2.160 638 G HA2 -0.254 3.707 3.960 0.001 0.000 0.251 638 G HA3 -0.254 3.707 3.960 0.001 0.000 0.251 638 G C 0.096 175.073 174.900 0.127 0.000 1.008 638 G CA -0.196 44.951 45.100 0.078 0.000 0.724 638 G HN 0.461 nan 8.290 nan 0.000 0.514 639 L N 2.017 123.301 121.223 0.101 0.000 2.536 639 L HA 0.253 4.594 4.340 0.001 0.000 0.242 639 L C 2.071 179.030 176.870 0.148 0.000 1.280 639 L CA 0.336 55.266 54.840 0.151 0.000 1.221 639 L CB 0.069 42.159 42.059 0.053 0.000 1.449 639 L HN 0.384 nan 8.230 nan 0.000 0.405 640 T N -3.880 110.780 114.554 0.177 0.000 3.118 640 T HA -0.092 4.259 4.350 0.001 0.000 0.260 640 T C 1.522 176.261 174.700 0.065 0.000 1.139 640 T CA 0.514 62.675 62.100 0.101 0.000 1.085 640 T CB -0.315 68.608 68.868 0.090 0.000 0.934 640 T HN 0.554 nan 8.240 nan 0.000 0.518 641 N N 1.354 120.104 118.700 0.083 0.000 2.515 641 N HA -0.026 4.714 4.740 0.001 0.000 0.185 641 N C 0.241 175.755 175.510 0.005 0.000 1.109 641 N CA 0.038 53.097 53.050 0.015 0.000 0.903 641 N CB -0.529 37.951 38.487 -0.012 0.000 0.969 641 N HN 0.316 nan 8.380 nan 0.000 0.450 642 V N 1.868 121.795 119.914 0.022 0.000 2.479 642 V HA 0.059 4.180 4.120 0.001 0.000 0.281 642 V C 0.425 176.514 176.094 -0.009 0.000 1.031 642 V CA -0.091 62.210 62.300 0.001 0.000 1.038 642 V CB 0.292 32.117 31.823 0.005 0.000 0.981 642 V HN 0.225 nan 8.190 nan 0.000 0.478 643 E N 4.836 125.022 120.200 -0.024 0.000 2.212 643 E HA 0.596 4.947 4.350 0.001 0.000 0.270 643 E C -0.939 175.662 176.600 0.002 0.000 0.956 643 E CA -0.815 55.575 56.400 -0.018 0.000 0.825 643 E CB 2.576 32.240 29.700 -0.059 0.000 1.167 643 E HN 0.509 nan 8.360 nan 0.000 0.400 644 I N 2.579 123.171 120.570 0.037 0.000 2.339 644 I HA 0.279 4.450 4.170 0.001 0.000 0.290 644 I C -0.220 175.956 176.117 0.098 0.000 0.994 644 I CA -0.482 60.852 61.300 0.057 0.000 1.191 644 I CB 1.121 39.161 38.000 0.067 0.000 1.343 644 I HN 0.380 nan 8.210 nan 0.000 0.458 645 M N 7.282 126.930 119.600 0.080 0.000 2.363 645 M HA 0.546 5.026 4.480 0.001 0.000 0.343 645 M C -1.483 174.892 176.300 0.125 0.000 1.165 645 M CA -0.458 54.895 55.300 0.088 0.000 1.046 645 M CB 1.386 34.015 32.600 0.048 0.000 1.648 645 M HN 0.365 nan 8.290 nan 0.000 0.452 646 I N 6.783 127.429 120.570 0.126 0.000 2.362 646 I HA 0.529 4.699 4.170 0.001 0.000 0.289 646 I C -2.372 173.785 176.117 0.068 0.000 0.994 646 I CA -2.138 59.287 61.300 0.208 0.000 1.158 646 I CB 1.207 39.396 38.000 0.315 0.000 1.315 646 I HN 0.563 nan 8.210 nan 0.000 0.451 647 P HA 0.370 nan 4.420 nan 0.000 0.285 647 P C -0.271 177.047 177.300 0.030 0.000 1.285 647 P CA -0.848 62.274 63.100 0.037 0.000 0.854 647 P CB 1.014 32.767 31.700 0.089 0.000 1.180 648 F N -1.290 118.551 119.950 -0.182 0.000 2.738 648 F HA -0.182 4.345 4.527 0.001 0.000 0.232 648 F C -0.338 175.340 175.800 -0.204 0.000 1.025 648 F CA 0.644 58.526 58.000 -0.196 0.000 0.895 648 F CB -1.291 37.598 39.000 -0.184 0.000 0.839 648 F HN -0.071 nan 8.300 nan 0.000 0.850 649 V N 3.662 123.446 119.914 -0.217 0.000 2.320 649 V HA 0.225 4.346 4.120 0.001 0.000 0.265 649 V C 1.302 177.286 176.094 -0.183 0.000 1.048 649 V CA -0.418 61.799 62.300 -0.139 0.000 0.865 649 V CB 1.254 33.024 31.823 -0.088 0.000 1.043 649 V HN 0.443 nan 8.190 nan 0.000 0.474 650 R N 2.151 122.618 120.500 -0.056 0.000 2.100 650 R HA 0.060 4.400 4.340 0.001 0.000 0.220 650 R C 0.950 177.350 176.300 0.167 0.000 1.091 650 R CA 1.252 57.330 56.100 -0.037 0.000 0.986 650 R CB 0.212 30.510 30.300 -0.004 0.000 0.888 650 R HN 0.782 nan 8.270 nan 0.000 0.444 651 T N -3.595 111.102 114.554 0.238 0.000 2.901 651 T HA 0.317 4.668 4.350 0.001 0.000 0.293 651 T C 0.952 175.723 174.700 0.119 0.000 1.084 651 T CA -0.837 61.387 62.100 0.207 0.000 1.008 651 T CB 1.674 70.582 68.868 0.067 0.000 1.170 651 T HN -0.093 nan 8.240 nan 0.000 0.509 652 L N 0.845 121.950 121.223 -0.196 0.000 2.201 652 L HA 0.133 4.473 4.340 0.001 0.000 0.212 652 L C 2.850 179.589 176.870 -0.218 0.000 1.105 652 L CA 1.523 56.166 54.840 -0.329 0.000 0.775 652 L CB -0.854 41.027 42.059 -0.296 0.000 0.913 652 L HN 1.006 nan 8.230 nan 0.000 0.440 653 G N -0.314 108.425 108.800 -0.103 0.000 2.402 653 G HA2 -0.213 3.748 3.960 0.001 0.000 0.216 653 G HA3 -0.213 3.748 3.960 0.001 0.000 0.216 653 G C 1.423 176.280 174.900 -0.071 0.000 1.162 653 G CA 0.396 45.454 45.100 -0.071 0.000 0.777 653 G HN 0.376 nan 8.290 nan 0.000 0.539 654 E N 0.554 120.735 120.200 -0.032 0.000 2.038 654 E HA -0.101 4.249 4.350 0.001 0.000 0.195 654 E C 2.987 179.566 176.600 -0.036 0.000 1.000 654 E CA 0.818 57.208 56.400 -0.016 0.000 0.803 654 E CB -0.247 29.466 29.700 0.023 0.000 0.750 654 E HN 0.372 nan 8.360 nan 0.000 0.448 655 A N 1.437 124.233 122.820 -0.040 0.000 1.903 655 A HA -0.332 3.988 4.320 0.001 0.000 0.219 655 A C 2.073 179.411 177.584 -0.409 0.000 1.191 655 A CA 2.120 54.076 52.037 -0.134 0.000 0.638 655 A CB -0.637 18.250 19.000 -0.188 0.000 0.823 655 A HN 0.322 nan 8.150 nan 0.000 0.451 656 E N -0.522 119.354 120.200 -0.541 0.000 2.072 656 E HA -0.053 4.297 4.350 0.001 0.000 0.191 656 E C 2.138 178.680 176.600 -0.097 0.000 0.985 656 E CA 0.991 57.196 56.400 -0.325 0.000 0.801 656 E CB -0.281 29.310 29.700 -0.182 0.000 0.750 656 E HN 0.545 nan 8.360 nan 0.000 0.452 657 A N 0.382 123.158 122.820 -0.073 0.000 1.933 657 A HA -0.140 4.180 4.320 0.001 0.000 0.218 657 A C 2.368 179.953 177.584 0.001 0.000 1.175 657 A CA 1.494 53.520 52.037 -0.019 0.000 0.628 657 A CB -0.597 18.393 19.000 -0.018 0.000 0.814 657 A HN 0.228 nan 8.150 nan 0.000 0.444 658 V N 0.011 119.926 119.914 0.001 0.000 2.358 658 V HA -0.213 3.907 4.120 0.001 0.000 0.246 658 V C 2.685 178.841 176.094 0.104 0.000 1.047 658 V CA 1.891 64.225 62.300 0.057 0.000 1.035 658 V CB -0.874 31.030 31.823 0.134 0.000 0.658 658 V HN 0.586 nan 8.190 nan 0.000 0.452 659 V N -0.029 119.913 119.914 0.047 0.000 2.626 659 V HA -0.207 3.914 4.120 0.001 0.000 0.252 659 V C 2.305 178.445 176.094 0.078 0.000 1.067 659 V CA 2.483 64.817 62.300 0.057 0.000 1.081 659 V CB -0.641 31.186 31.823 0.007 0.000 0.686 659 V HN 0.601 nan 8.190 nan 0.000 0.468 660 K N 0.501 120.941 120.400 0.067 0.000 2.097 660 K HA 0.024 4.344 4.320 0.001 0.000 0.205 660 K C 2.153 178.813 176.600 0.100 0.000 1.050 660 K CA 1.445 57.775 56.287 0.072 0.000 0.938 660 K CB -0.453 32.080 32.500 0.055 0.000 0.718 660 K HN 0.586 nan 8.250 nan 0.000 0.442 661 A N 1.205 124.103 122.820 0.131 0.000 1.897 661 A HA -0.057 4.264 4.320 0.001 0.000 0.215 661 A C 2.076 179.833 177.584 0.289 0.000 1.181 661 A CA 1.025 53.191 52.037 0.214 0.000 0.620 661 A CB -0.531 18.594 19.000 0.208 0.000 0.821 661 A HN 0.300 nan 8.150 nan 0.000 0.443 662 L N -0.506 120.887 121.223 0.284 0.000 2.017 662 L HA -0.207 4.134 4.340 0.001 0.000 0.208 662 L C 2.642 179.578 176.870 0.110 0.000 1.073 662 L CA 2.001 56.964 54.840 0.205 0.000 0.745 662 L CB -0.379 41.789 42.059 0.183 0.000 0.894 662 L HN 0.460 nan 8.230 nan 0.000 0.432 663 K N 0.449 120.909 120.400 0.100 0.000 2.063 663 K HA -0.235 4.086 4.320 0.001 0.000 0.208 663 K C 1.926 178.563 176.600 0.061 0.000 1.048 663 K CA 1.662 57.990 56.287 0.067 0.000 0.928 663 K CB -0.014 32.522 32.500 0.060 0.000 0.713 663 K HN 0.288 nan 8.250 nan 0.000 0.442 664 E N 0.233 120.480 120.200 0.077 0.000 2.130 664 E HA -0.184 4.167 4.350 0.001 0.000 0.196 664 E C 0.743 177.376 176.600 0.055 0.000 0.998 664 E CA 1.533 57.974 56.400 0.069 0.000 0.806 664 E CB -0.071 29.681 29.700 0.088 0.000 0.738 664 E HN 0.436 nan 8.360 nan 0.000 0.459 665 N N -0.945 117.787 118.700 0.054 0.000 2.295 665 N HA 0.127 4.867 4.740 0.001 0.000 0.221 665 N C 0.252 175.760 175.510 -0.003 0.000 1.129 665 N CA 0.313 53.370 53.050 0.011 0.000 0.836 665 N CB 1.240 39.706 38.487 -0.035 0.000 1.040 665 N HN 0.189 nan 8.380 nan 0.000 0.494 666 G N 0.563 109.371 108.800 0.014 0.000 2.148 666 G HA2 -0.275 3.685 3.960 0.001 0.000 0.254 666 G HA3 -0.275 3.685 3.960 0.001 0.000 0.254 666 G C -0.181 174.725 174.900 0.009 0.000 0.981 666 G CA -0.129 44.977 45.100 0.010 0.000 0.670 666 G HN 0.266 nan 8.290 nan 0.000 0.528 667 L N 0.814 122.046 121.223 0.015 0.000 2.316 667 L HA 0.610 4.950 4.340 0.001 0.000 0.280 667 L C -0.101 176.791 176.870 0.037 0.000 1.006 667 L CA -0.585 54.266 54.840 0.019 0.000 0.836 667 L CB 1.372 43.436 42.059 0.007 0.000 1.221 667 L HN 0.238 nan 8.230 nan 0.000 0.418 668 E N 3.570 123.789 120.200 0.033 0.000 2.314 668 E HA 0.420 4.771 4.350 0.001 0.000 0.272 668 E C -1.027 175.592 176.600 0.031 0.000 0.884 668 E CA -1.116 55.305 56.400 0.034 0.000 0.753 668 E CB 2.265 31.982 29.700 0.028 0.000 1.213 668 E HN 0.397 nan 8.360 nan 0.000 0.432 669 R N 0.821 121.340 120.500 0.032 0.000 2.504 669 R HA 0.059 4.400 4.340 0.001 0.000 0.291 669 R C 1.003 177.315 176.300 0.020 0.000 0.974 669 R CA 1.572 57.690 56.100 0.029 0.000 1.077 669 R CB 0.067 30.382 30.300 0.025 0.000 0.926 669 R HN 1.018 nan 8.270 nan 0.000 0.407 670 G N 2.413 111.225 108.800 0.019 0.000 2.299 670 G HA2 -0.338 3.622 3.960 0.001 0.000 0.237 670 G HA3 -0.338 3.622 3.960 0.001 0.000 0.237 670 G C 0.230 175.138 174.900 0.014 0.000 1.027 670 G CA 0.282 45.390 45.100 0.014 0.000 0.619 670 G HN 0.542 nan 8.290 nan 0.000 0.513 671 K N 1.276 121.685 120.400 0.016 0.000 2.349 671 K HA 0.351 4.672 4.320 0.001 0.000 0.288 671 K C 1.103 177.713 176.600 0.017 0.000 1.058 671 K CA 0.273 56.570 56.287 0.016 0.000 0.953 671 K CB -0.239 32.271 32.500 0.017 0.000 0.997 671 K HN 0.397 nan 8.250 nan 0.000 0.477 672 N N 3.449 122.159 118.700 0.016 0.000 2.710 672 N HA -0.254 4.486 4.740 0.001 0.000 0.249 672 N C 0.365 175.887 175.510 0.019 0.000 1.059 672 N CA 0.535 53.596 53.050 0.018 0.000 0.720 672 N CB -0.845 37.654 38.487 0.019 0.000 0.983 672 N HN 1.078 nan 8.380 nan 0.000 0.544 673 G N -0.629 108.181 108.800 0.016 0.000 2.168 673 G HA2 -0.329 3.632 3.960 0.001 0.000 0.263 673 G HA3 -0.329 3.632 3.960 0.001 0.000 0.263 673 G C 0.173 175.082 174.900 0.016 0.000 0.977 673 G CA 0.405 45.514 45.100 0.014 0.000 0.659 673 G HN 0.608 nan 8.290 nan 0.000 0.533 674 L N 0.694 121.929 121.223 0.020 0.000 2.525 674 L HA 0.516 4.857 4.340 0.001 0.000 0.278 674 L C 0.746 177.633 176.870 0.030 0.000 1.218 674 L CA 0.463 55.318 54.840 0.024 0.000 0.878 674 L CB 0.305 42.381 42.059 0.029 0.000 1.127 674 L HN 0.312 nan 8.230 nan 0.000 0.492 675 R N 4.545 125.063 120.500 0.030 0.000 2.562 675 R HA 0.651 4.991 4.340 0.001 0.000 0.298 675 R C -1.482 174.866 176.300 0.080 0.000 0.961 675 R CA -0.946 55.180 56.100 0.042 0.000 0.881 675 R CB 1.610 31.913 30.300 0.005 0.000 1.159 675 R HN 0.511 nan 8.270 nan 0.000 0.450 676 L N 4.550 125.861 121.223 0.146 0.000 2.349 676 L HA 0.498 4.839 4.340 0.001 0.000 0.278 676 L C -1.240 175.860 176.870 0.383 0.000 0.996 676 L CA -0.485 54.507 54.840 0.253 0.000 0.825 676 L CB 1.491 43.706 42.059 0.259 0.000 1.243 676 L HN 0.499 nan 8.230 nan 0.000 0.412 677 I N 4.719 125.465 120.570 0.294 0.000 2.493 677 I HA 0.413 4.583 4.170 0.001 0.000 0.298 677 I C -0.073 176.039 176.117 -0.009 0.000 0.998 677 I CA -0.571 60.854 61.300 0.208 0.000 1.137 677 I CB 1.821 39.902 38.000 0.135 0.000 1.310 677 I HN 0.669 nan 8.210 nan 0.000 0.445 678 M N 5.501 124.917 119.600 -0.306 0.000 2.238 678 M HA 0.393 4.874 4.480 0.001 0.000 0.350 678 M C -0.373 175.722 176.300 -0.343 0.000 1.138 678 M CA -0.773 54.106 55.300 -0.702 0.000 1.040 678 M CB 1.538 33.371 32.600 -1.278 0.000 1.639 678 M HN 0.569 nan 8.290 nan 0.000 0.451 679 M N 4.632 124.060 119.600 -0.285 0.000 2.227 679 M HA 0.108 4.589 4.480 0.001 0.000 0.349 679 M C -0.864 175.173 176.300 -0.439 0.000 1.443 679 M CA 0.079 55.231 55.300 -0.246 0.000 1.110 679 M CB 0.397 32.919 32.600 -0.130 0.000 1.773 679 M HN 0.776 nan 8.290 nan 0.000 0.463 680 C N 7.528 126.536 119.300 -0.487 0.000 2.158 680 C HA 0.307 4.768 4.460 0.001 0.000 0.350 680 C C 0.899 175.657 174.990 -0.387 0.000 1.064 680 C CA -0.149 58.475 59.018 -0.656 0.000 1.507 680 C CB -1.473 25.800 27.740 -0.778 0.000 1.934 680 C HN 1.043 nan 8.230 nan 0.000 0.479 681 E N 3.417 123.379 120.200 -0.396 0.000 2.603 681 E HA 0.211 4.561 4.350 0.001 0.000 0.224 681 E C -0.472 175.934 176.600 -0.324 0.000 0.896 681 E CA -0.320 55.912 56.400 -0.281 0.000 1.224 681 E CB 0.112 29.692 29.700 -0.200 0.000 1.206 681 E HN 0.510 nan 8.360 nan 0.000 0.576 682 L N 1.644 122.610 121.223 -0.428 0.000 2.334 682 L HA 0.363 4.703 4.340 0.001 0.000 0.275 682 L C -1.843 174.880 176.870 -0.245 0.000 1.036 682 L CA -2.289 52.325 54.840 -0.377 0.000 0.807 682 L CB 1.151 42.923 42.059 -0.478 0.000 1.231 682 L HN -0.230 nan 8.230 nan 0.000 0.438 683 P HA -0.179 nan 4.420 nan 0.000 0.217 683 P C 1.441 178.712 177.300 -0.048 0.000 1.148 683 P CA 1.417 64.469 63.100 -0.081 0.000 0.828 683 P CB 0.140 31.810 31.700 -0.049 0.000 0.783 684 S N -1.217 114.455 115.700 -0.047 0.000 2.399 684 S HA -0.159 4.311 4.470 0.001 0.000 0.231 684 S C 1.846 176.520 174.600 0.124 0.000 1.022 684 S CA 1.167 59.406 58.200 0.065 0.000 0.983 684 S CB -1.322 61.945 63.200 0.111 0.000 0.803 684 S HN 0.073 nan 8.310 nan 0.000 0.480 685 N N 2.613 121.199 118.700 -0.190 0.000 2.223 685 N HA 0.098 4.838 4.740 0.001 0.000 0.185 685 N C 1.842 177.306 175.510 -0.077 0.000 1.016 685 N CA 1.426 54.217 53.050 -0.432 0.000 0.863 685 N CB -0.791 37.245 38.487 -0.752 0.000 0.983 685 N HN 0.646 nan 8.380 nan 0.000 0.429 686 A N 0.524 123.325 122.820 -0.032 0.000 1.878 686 A HA -0.015 4.305 4.320 0.001 0.000 0.213 686 A C 2.297 179.950 177.584 0.116 0.000 1.192 686 A CA 1.423 53.493 52.037 0.056 0.000 0.619 686 A CB -0.706 18.311 19.000 0.028 0.000 0.837 686 A HN 0.173 nan 8.150 nan 0.000 0.446 687 V N -2.648 117.329 119.914 0.105 0.000 2.871 687 V HA 0.155 4.276 4.120 0.001 0.000 0.256 687 V C 1.272 177.448 176.094 0.137 0.000 1.082 687 V CA 1.263 63.627 62.300 0.107 0.000 1.105 687 V CB -0.582 31.287 31.823 0.078 0.000 0.713 687 V HN 0.356 nan 8.190 nan 0.000 0.473 688 L N 0.521 121.872 121.223 0.215 0.000 3.062 688 L HA 0.556 4.897 4.340 0.001 0.000 0.255 688 L C 2.240 179.335 176.870 0.374 0.000 1.274 688 L CA 0.281 55.263 54.840 0.236 0.000 1.047 688 L CB -0.008 42.157 42.059 0.176 0.000 1.402 688 L HN 0.261 nan 8.230 nan 0.000 0.550 689 A N 0.703 123.725 122.820 0.336 0.000 1.884 689 A HA -0.234 4.087 4.320 0.001 0.000 0.219 689 A C 2.142 179.947 177.584 0.369 0.000 1.197 689 A CA 1.908 54.209 52.037 0.441 0.000 0.637 689 A CB -0.184 19.008 19.000 0.319 0.000 0.827 689 A HN 0.561 nan 8.150 nan 0.000 0.450 690 E N -0.759 119.556 120.200 0.193 0.000 2.106 690 E HA -0.230 4.121 4.350 0.001 0.000 0.192 690 E C 2.218 178.891 176.600 0.122 0.000 0.984 690 E CA 1.453 57.915 56.400 0.103 0.000 0.806 690 E CB -0.237 29.493 29.700 0.049 0.000 0.750 690 E HN 0.766 nan 8.360 nan 0.000 0.458 691 Q N 0.073 119.956 119.800 0.139 0.000 2.096 691 Q HA -0.058 4.282 4.340 0.001 0.000 0.197 691 Q C 1.835 177.944 176.000 0.182 0.000 0.964 691 Q CA 1.051 56.901 55.803 0.078 0.000 0.838 691 Q CB -0.285 28.449 28.738 -0.006 0.000 0.906 691 Q HN 0.197 nan 8.270 nan 0.000 0.444 692 F N 0.013 120.165 119.950 0.336 0.000 2.134 692 F HA -0.156 4.372 4.527 0.002 0.000 0.299 692 F C 1.854 178.034 175.800 0.634 0.000 1.097 692 F CA 0.675 58.981 58.000 0.510 0.000 1.264 692 F CB -0.393 38.861 39.000 0.422 0.000 1.001 692 F HN 0.104 nan 8.300 nan 0.000 0.479 693 L N 0.195 121.790 121.223 0.621 0.000 2.265 693 L HA -0.207 4.134 4.340 0.001 0.000 0.215 693 L C 2.116 179.125 176.870 0.231 0.000 1.117 693 L CA 1.616 56.666 54.840 0.349 0.000 0.782 693 L CB -0.903 41.143 42.059 -0.022 0.000 0.914 693 L HN 0.195 nan 8.230 nan 0.000 0.441 694 Q N -2.064 117.802 119.800 0.111 0.000 2.297 694 Q HA -0.213 4.128 4.340 0.001 0.000 0.208 694 Q C 1.459 177.332 176.000 -0.211 0.000 0.981 694 Q CA 1.700 57.433 55.803 -0.118 0.000 0.876 694 Q CB -0.134 28.429 28.738 -0.291 0.000 0.921 694 Q HN 0.576 nan 8.270 nan 0.000 0.446 695 Y N -1.775 118.536 120.300 0.020 0.000 2.511 695 Y HA 0.108 4.658 4.550 0.001 0.000 0.279 695 Y C -0.009 175.565 175.900 -0.543 0.000 1.157 695 Y CA 0.073 58.005 58.100 -0.279 0.000 1.300 695 Y CB 0.554 38.779 38.460 -0.393 0.000 1.052 695 Y HN -0.073 nan 8.280 nan 0.000 0.529 696 F N -1.316 118.784 119.950 0.250 0.000 2.629 696 F HA 0.304 4.835 4.527 0.006 0.000 0.316 696 F C 0.628 176.501 175.800 0.121 0.000 1.081 696 F CA -1.441 56.687 58.000 0.212 0.000 0.954 696 F CB 1.058 40.241 39.000 0.306 0.000 1.337 696 F HN -0.303 nan 8.300 nan 0.000 0.474 697 D N 0.514 121.106 120.400 0.320 0.000 2.339 697 D HA 0.347 4.987 4.640 0.001 0.000 0.217 697 D C 0.599 177.003 176.300 0.174 0.000 1.050 697 D CA 0.697 54.805 54.000 0.179 0.000 0.856 697 D CB 0.719 41.598 40.800 0.132 0.000 0.922 697 D HN 0.701 nan 8.370 nan 0.000 0.518 698 G N -0.005 108.931 108.800 0.227 0.000 2.337 698 G HA2 0.231 4.191 3.960 0.001 0.000 0.298 698 G HA3 0.231 4.191 3.960 0.001 0.000 0.298 698 G C -1.820 173.284 174.900 0.341 0.000 1.335 698 G CA -0.920 44.282 45.100 0.171 0.000 0.875 698 G HN -0.095 nan 8.290 nan 0.000 0.579 699 F N 0.504 120.509 119.950 0.092 0.000 2.522 699 F HA 0.802 5.329 4.527 0.000 0.000 0.324 699 F C 0.572 176.390 175.800 0.031 0.000 1.077 699 F CA -1.653 56.345 58.000 -0.003 0.000 0.944 699 F CB 2.295 41.254 39.000 -0.069 0.000 1.175 699 F HN 0.286 nan 8.300 nan 0.000 0.468 700 S N 3.213 119.034 115.700 0.201 0.000 2.456 700 S HA 0.568 5.039 4.470 0.001 0.000 0.316 700 S C -0.195 174.411 174.600 0.009 0.000 1.089 700 S CA -0.493 57.776 58.200 0.114 0.000 1.101 700 S CB 0.547 63.825 63.200 0.131 0.000 0.995 700 S HN 0.348 nan 8.310 nan 0.000 0.468 701 I N 2.933 123.507 120.570 0.007 0.000 2.396 701 I HA 0.242 4.412 4.170 0.001 0.000 0.289 701 I C 1.111 177.226 176.117 -0.004 0.000 1.056 701 I CA -0.086 61.202 61.300 -0.021 0.000 1.365 701 I CB 0.667 38.681 38.000 0.024 0.000 1.407 701 I HN 0.676 nan 8.210 nan 0.000 0.509 702 G N 3.838 112.617 108.800 -0.035 0.000 2.546 702 G HA2 0.244 4.205 3.960 0.001 0.000 0.320 702 G HA3 0.244 4.205 3.960 0.001 0.000 0.320 702 G C 0.903 175.815 174.900 0.020 0.000 0.984 702 G CA -0.371 44.729 45.100 0.000 0.000 1.183 702 G HN 0.766 nan 8.290 nan 0.000 0.443 703 S N 2.490 118.227 115.700 0.061 0.000 2.428 703 S HA -0.163 4.307 4.470 0.001 0.000 0.230 703 S C 1.988 176.631 174.600 0.071 0.000 1.014 703 S CA 0.813 59.053 58.200 0.067 0.000 0.957 703 S CB -0.143 63.132 63.200 0.124 0.000 0.784 703 S HN 0.540 nan 8.310 nan 0.000 0.499 704 N N 2.586 121.364 118.700 0.129 0.000 2.025 704 N HA -0.188 4.553 4.740 0.001 0.000 0.194 704 N C 1.383 177.002 175.510 0.182 0.000 1.044 704 N CA 2.237 55.418 53.050 0.218 0.000 0.851 704 N CB -0.628 37.945 38.487 0.143 0.000 1.036 704 N HN 0.302 nan 8.380 nan 0.000 0.422 705 D N -0.736 119.731 120.400 0.111 0.000 2.149 705 D HA -0.116 4.524 4.640 0.001 0.000 0.201 705 D C 1.828 178.148 176.300 0.034 0.000 0.972 705 D CA 0.702 54.762 54.000 0.100 0.000 0.835 705 D CB -0.175 40.700 40.800 0.124 0.000 0.966 705 D HN 0.303 nan 8.370 nan 0.000 0.476 706 M N 0.651 120.244 119.600 -0.011 0.000 2.080 706 M HA -0.134 4.347 4.480 0.001 0.000 0.260 706 M C 2.053 178.324 176.300 -0.048 0.000 1.068 706 M CA 1.536 56.806 55.300 -0.051 0.000 1.109 706 M CB -0.780 31.790 32.600 -0.051 0.000 1.342 706 M HN -0.147 nan 8.290 nan 0.000 0.405 707 T N -0.018 114.502 114.554 -0.056 0.000 2.746 707 T HA -0.170 4.181 4.350 0.001 0.000 0.267 707 T C 1.782 176.454 174.700 -0.046 0.000 1.039 707 T CA 1.626 63.635 62.100 -0.152 0.000 1.142 707 T CB -0.233 68.371 68.868 -0.440 0.000 0.866 707 T HN 0.520 nan 8.240 nan 0.000 0.444 708 Q N 0.312 120.166 119.800 0.089 0.000 2.084 708 Q HA 0.031 4.371 4.340 0.001 0.000 0.202 708 Q C 2.360 178.394 176.000 0.056 0.000 0.978 708 Q CA 1.114 56.989 55.803 0.121 0.000 0.844 708 Q CB -0.309 28.522 28.738 0.155 0.000 0.898 708 Q HN 0.466 nan 8.270 nan 0.000 0.426 709 L N -0.379 120.862 121.223 0.030 0.000 2.131 709 L HA -0.094 4.247 4.340 0.001 0.000 0.206 709 L C 2.323 179.184 176.870 -0.014 0.000 1.087 709 L CA 0.926 55.770 54.840 0.007 0.000 0.767 709 L CB -0.341 41.706 42.059 -0.020 0.000 0.917 709 L HN 0.197 nan 8.230 nan 0.000 0.441 710 T N 0.211 114.745 114.554 -0.032 0.000 2.821 710 T HA -0.076 4.275 4.350 0.001 0.000 0.267 710 T C 1.738 176.416 174.700 -0.037 0.000 1.046 710 T CA 1.133 63.209 62.100 -0.040 0.000 1.139 710 T CB -0.048 68.784 68.868 -0.059 0.000 0.871 710 T HN 0.200 nan 8.240 nan 0.000 0.454 711 L N 0.135 121.336 121.223 -0.038 0.000 2.607 711 L HA 0.327 4.667 4.340 0.001 0.000 0.228 711 L C 1.535 178.402 176.870 -0.005 0.000 1.123 711 L CA -0.020 54.800 54.840 -0.033 0.000 0.890 711 L CB -0.255 41.770 42.059 -0.056 0.000 1.103 711 L HN 0.421 nan 8.230 nan 0.000 0.468 712 G N 1.704 110.509 108.800 0.008 0.000 2.314 712 G HA2 -0.268 3.692 3.960 0.001 0.000 0.292 712 G HA3 -0.268 3.692 3.960 0.001 0.000 0.292 712 G C -0.299 174.619 174.900 0.030 0.000 1.059 712 G CA 0.134 45.245 45.100 0.019 0.000 0.982 712 G HN 0.256 nan 8.290 nan 0.000 0.505 713 L N -0.404 120.849 121.223 0.051 0.000 2.401 713 L HA 0.516 4.856 4.340 0.001 0.000 0.266 713 L C -0.721 176.190 176.870 0.069 0.000 0.991 713 L CA -1.184 53.694 54.840 0.064 0.000 0.818 713 L CB 2.090 44.212 42.059 0.105 0.000 1.321 713 L HN 0.128 nan 8.230 nan 0.000 0.413 714 D N 1.849 122.273 120.400 0.041 0.000 2.317 714 D HA 0.147 4.787 4.640 0.001 0.000 0.234 714 D C 0.986 177.281 176.300 -0.009 0.000 1.112 714 D CA -0.407 53.604 54.000 0.019 0.000 0.840 714 D CB 1.296 42.099 40.800 0.005 0.000 1.078 714 D HN 0.532 nan 8.370 nan 0.000 0.486 715 R N 2.609 123.074 120.500 -0.058 0.000 2.280 715 R HA -0.035 4.305 4.340 0.001 0.000 0.207 715 R C -0.064 176.133 176.300 -0.172 0.000 1.043 715 R CA 0.653 56.636 56.100 -0.194 0.000 1.006 715 R CB 0.148 30.094 30.300 -0.589 0.000 0.885 715 R HN 0.181 nan 8.270 nan 0.000 0.467 716 D N 1.024 121.358 120.400 -0.110 0.000 2.277 716 D HA -0.061 4.580 4.640 0.001 0.000 0.208 716 D C 0.304 176.573 176.300 -0.051 0.000 0.962 716 D CA 0.752 54.704 54.000 -0.080 0.000 0.865 716 D CB 0.095 40.859 40.800 -0.060 0.000 0.939 716 D HN 0.141 nan 8.370 nan 0.000 0.510 717 S N 0.200 115.878 115.700 -0.037 0.000 2.430 717 S HA 0.284 4.755 4.470 0.001 0.000 0.282 717 S C 1.506 176.093 174.600 -0.022 0.000 1.186 717 S CA -0.352 57.835 58.200 -0.022 0.000 1.060 717 S CB 0.845 64.039 63.200 -0.009 0.000 0.966 717 S HN 0.203 nan 8.310 nan 0.000 0.501 718 G N 4.817 113.604 108.800 -0.022 0.000 2.535 718 G HA2 -0.102 3.859 3.960 0.001 0.000 0.218 718 G HA3 -0.102 3.859 3.960 0.001 0.000 0.218 718 G C 1.099 175.993 174.900 -0.010 0.000 1.122 718 G CA 0.161 45.250 45.100 -0.019 0.000 0.769 718 G HN 0.646 nan 8.290 nan 0.000 0.549 719 L N 0.766 121.986 121.223 -0.006 0.000 2.240 719 L HA 0.107 4.448 4.340 0.001 0.000 0.211 719 L C 2.655 179.525 176.870 0.001 0.000 1.106 719 L CA 1.309 56.148 54.840 -0.002 0.000 0.793 719 L CB 0.184 42.242 42.059 -0.001 0.000 0.927 719 L HN 0.273 nan 8.230 nan 0.000 0.446 720 V N -5.535 114.382 119.914 0.004 0.000 3.562 720 V HA 0.182 4.302 4.120 0.001 0.000 0.270 720 V C 1.805 177.913 176.094 0.023 0.000 1.418 720 V CA 0.664 62.971 62.300 0.012 0.000 1.033 720 V CB -0.165 31.668 31.823 0.016 0.000 0.820 720 V HN 0.359 nan 8.190 nan 0.000 0.441 721 S N 0.933 116.643 115.700 0.017 0.000 2.603 721 S HA -0.079 4.391 4.470 0.001 0.000 0.229 721 S C 1.554 176.189 174.600 0.058 0.000 0.972 721 S CA 1.111 59.330 58.200 0.032 0.000 0.935 721 S CB -0.437 62.746 63.200 -0.029 0.000 0.769 721 S HN 0.833 nan 8.310 nan 0.000 0.536 722 E N 1.221 121.444 120.200 0.037 0.000 2.478 722 E HA 0.048 4.399 4.350 0.001 0.000 0.198 722 E C 1.537 178.162 176.600 0.042 0.000 1.046 722 E CA 0.745 57.166 56.400 0.035 0.000 0.870 722 E CB -0.289 29.418 29.700 0.012 0.000 0.818 722 E HN 0.458 nan 8.360 nan 0.000 0.527 723 S N -0.589 115.143 115.700 0.053 0.000 2.511 723 S HA 0.150 4.620 4.470 0.001 0.000 0.214 723 S C -0.030 174.587 174.600 0.028 0.000 0.997 723 S CA -0.658 57.553 58.200 0.019 0.000 0.908 723 S CB -0.145 63.058 63.200 0.005 0.000 0.803 723 S HN 0.433 nan 8.310 nan 0.000 0.504 724 F N 3.327 123.242 119.950 -0.058 0.000 2.602 724 F HA 0.238 4.765 4.527 0.001 0.000 0.385 724 F C -0.077 175.666 175.800 -0.094 0.000 1.063 724 F CA 0.387 58.346 58.000 -0.067 0.000 1.233 724 F CB 0.356 39.326 39.000 -0.050 0.000 1.067 724 F HN -0.016 nan 8.300 nan 0.000 0.564 725 D N 5.238 125.231 120.400 -0.677 0.000 2.548 725 D HA 0.073 4.713 4.640 0.001 0.000 0.214 725 D C 0.203 176.084 176.300 -0.700 0.000 1.345 725 D CA -0.350 53.317 54.000 -0.555 0.000 0.945 725 D CB 0.976 41.572 40.800 -0.340 0.000 1.499 725 D HN 0.699 nan 8.370 nan 0.000 0.579 726 E N 1.806 121.564 120.200 -0.736 0.000 2.333 726 E HA -0.155 4.195 4.350 0.001 0.000 0.198 726 E C 1.282 177.447 176.600 -0.724 0.000 1.007 726 E CA 0.607 56.602 56.400 -0.675 0.000 0.845 726 E CB 0.239 29.556 29.700 -0.638 0.000 0.766 726 E HN 0.392 nan 8.360 nan 0.000 0.507 727 R N 1.213 121.288 120.500 -0.708 0.000 2.468 727 R HA 0.134 4.474 4.340 0.001 0.000 0.280 727 R C 0.316 176.366 176.300 -0.416 0.000 0.963 727 R CA -0.279 55.464 56.100 -0.595 0.000 1.083 727 R CB -0.306 29.647 30.300 -0.580 0.000 1.200 727 R HN -0.067 nan 8.270 nan 0.000 0.541 728 N N 2.914 121.393 118.700 -0.368 0.000 2.293 728 N HA -0.041 4.699 4.740 0.001 0.000 0.253 728 N C -1.592 173.771 175.510 -0.244 0.000 1.248 728 N CA -0.739 52.149 53.050 -0.270 0.000 0.845 728 N CB 1.187 39.527 38.487 -0.244 0.000 1.073 728 N HN -0.037 nan 8.380 nan 0.000 0.464 729 P HA -0.137 nan 4.420 nan 0.000 0.217 729 P C 0.754 177.983 177.300 -0.118 0.000 1.148 729 P CA 1.493 64.498 63.100 -0.159 0.000 0.828 729 P CB 0.071 31.704 31.700 -0.111 0.000 0.783 730 A N -0.773 121.984 122.820 -0.106 0.000 1.930 730 A HA -0.131 4.190 4.320 0.001 0.000 0.217 730 A C 2.293 179.834 177.584 -0.071 0.000 1.175 730 A CA 1.691 53.684 52.037 -0.073 0.000 0.627 730 A CB -1.568 17.390 19.000 -0.071 0.000 0.815 730 A HN 0.066 nan 8.150 nan 0.000 0.443 731 V N 0.063 119.905 119.914 -0.119 0.000 2.453 731 V HA -0.211 3.910 4.120 0.001 0.000 0.247 731 V C 2.365 178.428 176.094 -0.052 0.000 1.048 731 V CA 2.066 64.302 62.300 -0.106 0.000 1.049 731 V CB -0.628 31.082 31.823 -0.189 0.000 0.672 731 V HN 0.505 nan 8.190 nan 0.000 0.457 732 K N 0.041 120.363 120.400 -0.129 0.000 2.057 732 K HA -0.141 4.179 4.320 0.001 0.000 0.207 732 K C 2.112 178.819 176.600 0.179 0.000 1.049 732 K CA 1.456 57.669 56.287 -0.124 0.000 0.931 732 K CB -0.450 31.770 32.500 -0.465 0.000 0.714 732 K HN 0.348 nan 8.250 nan 0.000 0.440 733 V N 1.697 121.671 119.914 0.100 0.000 2.324 733 V HA -0.300 3.821 4.120 0.001 0.000 0.250 733 V C 2.379 178.589 176.094 0.193 0.000 1.060 733 V CA 1.596 63.985 62.300 0.149 0.000 1.042 733 V CB -0.408 31.458 31.823 0.071 0.000 0.650 733 V HN 0.357 nan 8.190 nan 0.000 0.450 734 M N -0.842 118.834 119.600 0.126 0.000 2.132 734 M HA -0.095 4.386 4.480 0.001 0.000 0.263 734 M C 2.227 178.618 176.300 0.152 0.000 1.065 734 M CA 1.813 57.177 55.300 0.107 0.000 1.122 734 M CB -1.014 31.611 32.600 0.041 0.000 1.365 734 M HN 0.305 nan 8.290 nan 0.000 0.411 735 L N -1.312 120.044 121.223 0.221 0.000 2.056 735 L HA -0.237 4.103 4.340 0.001 0.000 0.207 735 L C 2.785 179.815 176.870 0.267 0.000 1.078 735 L CA 1.239 56.243 54.840 0.273 0.000 0.749 735 L CB -1.098 41.224 42.059 0.439 0.000 0.901 735 L HN 0.426 nan 8.230 nan 0.000 0.433 736 H N 1.001 120.229 119.070 0.264 0.000 2.293 736 H HA -0.169 4.388 4.556 0.001 0.000 0.300 736 H C 2.347 177.724 175.328 0.081 0.000 1.082 736 H CA 1.805 57.936 56.048 0.139 0.000 1.308 736 H CB 0.025 29.898 29.762 0.185 0.000 1.375 736 H HN 0.243 nan 8.280 nan 0.000 0.495 737 L N 0.445 121.727 121.223 0.099 0.000 2.013 737 L HA -0.238 4.102 4.340 0.001 0.000 0.212 737 L C 3.158 180.033 176.870 0.009 0.000 1.073 737 L CA 1.380 56.239 54.840 0.031 0.000 0.753 737 L CB -0.635 41.494 42.059 0.117 0.000 0.890 737 L HN 0.333 nan 8.230 nan 0.000 0.432 738 A N 0.093 122.963 122.820 0.082 0.000 1.898 738 A HA -0.210 4.111 4.320 0.001 0.000 0.216 738 A C 2.204 179.823 177.584 0.058 0.000 1.181 738 A CA 1.841 53.986 52.037 0.180 0.000 0.620 738 A CB -0.639 18.499 19.000 0.229 0.000 0.819 738 A HN 0.460 nan 8.150 nan 0.000 0.442 739 I N -1.049 119.499 120.570 -0.035 0.000 2.286 739 I HA -0.110 4.060 4.170 0.001 0.000 0.245 739 I C 2.173 178.178 176.117 -0.187 0.000 1.104 739 I CA 2.302 63.532 61.300 -0.116 0.000 1.397 739 I CB -0.410 37.509 38.000 -0.135 0.000 1.072 739 I HN 0.122 nan 8.210 nan 0.000 0.417 740 S N 1.307 116.846 115.700 -0.269 0.000 2.359 740 S HA -0.184 4.287 4.470 0.001 0.000 0.224 740 S C 2.260 176.759 174.600 -0.169 0.000 1.035 740 S CA 1.525 59.569 58.200 -0.262 0.000 1.018 740 S CB -0.909 62.069 63.200 -0.371 0.000 0.876 740 S HN 0.745 nan 8.310 nan 0.000 0.448 741 A N 0.382 123.121 122.820 -0.135 0.000 1.917 741 A HA -0.216 4.105 4.320 0.001 0.000 0.219 741 A C 2.436 179.917 177.584 -0.171 0.000 1.182 741 A CA 1.874 53.846 52.037 -0.109 0.000 0.633 741 A CB -1.329 17.645 19.000 -0.043 0.000 0.819 741 A HN 0.637 nan 8.150 nan 0.000 0.448 742 C N -1.366 117.797 119.300 -0.228 0.000 2.466 742 C HA -0.016 4.445 4.460 0.001 0.000 0.278 742 C C 2.863 177.751 174.990 -0.170 0.000 1.288 742 C CA 0.872 59.734 59.018 -0.260 0.000 1.722 742 C CB -1.229 26.335 27.740 -0.294 0.000 2.017 742 C HN 0.594 nan 8.230 nan 0.000 0.488 743 R N 1.640 122.047 120.500 -0.154 0.000 2.083 743 R HA -0.149 4.192 4.340 0.001 0.000 0.237 743 R C 2.100 178.341 176.300 -0.098 0.000 1.137 743 R CA 1.589 57.614 56.100 -0.124 0.000 0.951 743 R CB -0.398 29.824 30.300 -0.129 0.000 0.851 743 R HN 0.693 nan 8.270 nan 0.000 0.434 744 K N 0.279 120.622 120.400 -0.096 0.000 2.515 744 K HA -0.071 4.249 4.320 0.001 0.000 0.196 744 K C 1.219 177.780 176.600 -0.066 0.000 1.038 744 K CA 0.891 57.135 56.287 -0.073 0.000 0.967 744 K CB 0.214 32.676 32.500 -0.063 0.000 0.780 744 K HN 0.064 nan 8.250 nan 0.000 0.483 745 Q N 0.987 120.739 119.800 -0.079 0.000 2.219 745 Q HA 0.104 4.445 4.340 0.001 0.000 0.209 745 Q C -0.644 175.322 176.000 -0.056 0.000 0.854 745 Q CA 0.013 55.776 55.803 -0.067 0.000 0.960 745 Q CB 0.312 29.003 28.738 -0.079 0.000 1.116 745 Q HN 0.452 nan 8.270 nan 0.000 0.500 746 N N 1.136 119.800 118.700 -0.059 0.000 2.727 746 N HA -0.194 4.546 4.740 0.001 0.000 0.249 746 N C -0.846 174.644 175.510 -0.033 0.000 1.048 746 N CA 0.638 53.660 53.050 -0.046 0.000 0.714 746 N CB -0.521 37.947 38.487 -0.032 0.000 0.959 746 N HN 0.086 nan 8.380 nan 0.000 0.544 747 K N 0.484 120.853 120.400 -0.053 0.000 2.207 747 K HA 0.258 4.579 4.320 0.001 0.000 0.255 747 K C -0.408 176.185 176.600 -0.011 0.000 0.941 747 K CA -0.855 55.417 56.287 -0.026 0.000 0.825 747 K CB 1.038 33.495 32.500 -0.072 0.000 1.119 747 K HN 0.115 nan 8.250 nan 0.000 0.430 748 Y N 2.260 122.526 120.300 -0.056 0.000 2.944 748 Y HA -0.018 4.533 4.550 0.000 0.000 0.340 748 Y C -0.617 175.256 175.900 -0.045 0.000 1.275 748 Y CA 0.636 58.712 58.100 -0.040 0.000 1.590 748 Y CB 0.318 38.773 38.460 -0.007 0.000 1.218 748 Y HN 0.195 nan 8.280 nan 0.000 0.576 749 V N 7.666 127.185 119.914 -0.660 0.000 2.482 749 V HA 0.770 4.891 4.120 0.001 0.000 0.295 749 V C -0.147 175.496 176.094 -0.751 0.000 1.026 749 V CA 0.218 62.176 62.300 -0.571 0.000 0.856 749 V CB 1.106 32.773 31.823 -0.261 0.000 1.001 749 V HN 1.031 nan 8.190 nan 0.000 0.424 750 G N 5.134 113.527 108.800 -0.680 0.000 2.568 750 G HA2 0.790 4.751 3.960 0.001 0.000 0.313 750 G HA3 0.790 4.751 3.960 0.001 0.000 0.313 750 G C -1.491 173.342 174.900 -0.111 0.000 1.227 750 G CA -0.715 44.175 45.100 -0.350 0.000 0.979 750 G HN 0.834 nan 8.290 nan 0.000 0.486 751 I N -0.812 119.727 120.570 -0.052 0.000 2.730 751 I HA 0.572 4.742 4.170 0.001 0.000 0.298 751 I C -0.847 175.289 176.117 0.032 0.000 1.089 751 I CA -0.698 60.605 61.300 0.006 0.000 1.041 751 I CB 1.848 39.857 38.000 0.014 0.000 1.235 751 I HN 0.506 nan 8.210 nan 0.000 0.423 752 C N 4.714 124.044 119.300 0.051 0.000 2.561 752 C HA 1.024 5.485 4.460 0.001 0.000 0.319 752 C C 0.247 175.280 174.990 0.071 0.000 1.198 752 C CA -0.287 58.760 59.018 0.048 0.000 1.665 752 C CB 0.430 28.191 27.740 0.036 0.000 2.258 752 C HN 1.122 nan 8.230 nan 0.000 0.493 753 G N 1.828 110.663 108.800 0.058 0.000 2.459 753 G HA2 0.043 4.003 3.960 0.001 0.000 0.685 753 G HA3 0.043 4.003 3.960 0.001 0.000 0.685 753 G C -0.438 174.505 174.900 0.071 0.000 1.303 753 G CA -0.517 44.627 45.100 0.074 0.000 0.907 753 G HN 0.531 nan 8.290 nan 0.000 0.632 754 Q N 0.106 119.938 119.800 0.053 0.000 2.360 754 Q HA 0.122 4.462 4.340 0.001 0.000 0.202 754 Q C 2.507 178.528 176.000 0.034 0.000 0.915 754 Q CA 1.219 57.034 55.803 0.020 0.000 0.943 754 Q CB 0.314 29.039 28.738 -0.021 0.000 1.064 754 Q HN 1.056 nan 8.270 nan 0.000 0.511 755 G N 2.763 111.631 108.800 0.114 0.000 2.574 755 G HA2 -0.262 3.698 3.960 0.001 0.000 0.220 755 G HA3 -0.262 3.698 3.960 0.001 0.000 0.220 755 G C -1.028 174.075 174.900 0.338 0.000 1.173 755 G CA 0.719 45.938 45.100 0.198 0.000 0.772 755 G HN 0.361 nan 8.290 nan 0.000 0.585 756 P HA -0.065 nan 4.420 nan 0.000 0.218 756 P C 2.191 179.530 177.300 0.065 0.000 1.148 756 P CA 1.798 65.018 63.100 0.199 0.000 0.822 756 P CB -0.059 31.689 31.700 0.080 0.000 0.784 757 S N -0.892 114.815 115.700 0.013 0.000 2.348 757 S HA -0.113 4.358 4.470 0.001 0.000 0.219 757 S C 1.675 176.193 174.600 -0.136 0.000 1.033 757 S CA 1.315 59.480 58.200 -0.057 0.000 0.974 757 S CB -1.044 62.126 63.200 -0.049 0.000 0.868 757 S HN -0.015 nan 8.310 nan 0.000 0.459 758 D N 0.552 120.828 120.400 -0.205 0.000 2.178 758 D HA -0.004 4.637 4.640 0.001 0.000 0.202 758 D C 0.058 175.995 176.300 -0.606 0.000 0.974 758 D CA 0.982 54.724 54.000 -0.429 0.000 0.841 758 D CB -0.162 40.295 40.800 -0.573 0.000 0.953 758 D HN 0.526 nan 8.370 nan 0.000 0.478 759 H N -0.889 118.183 119.070 0.003 0.000 2.675 759 H HA 0.220 4.776 4.556 0.001 0.000 0.258 759 H C -1.773 173.570 175.328 0.025 0.000 1.271 759 H CA -1.773 54.280 56.048 0.008 0.000 1.462 759 H CB 1.666 31.440 29.762 0.019 0.000 1.467 759 H HN -0.101 nan 8.280 nan 0.000 0.501 760 P HA -0.166 nan 4.420 nan 0.000 0.217 760 P C 0.978 178.335 177.300 0.095 0.000 1.148 760 P CA 1.281 64.250 63.100 -0.219 0.000 0.834 760 P CB 0.537 31.798 31.700 -0.730 0.000 0.783 761 D N -2.326 118.171 120.400 0.162 0.000 2.269 761 D HA -0.108 4.532 4.640 0.001 0.000 0.208 761 D C 1.500 177.970 176.300 0.284 0.000 0.963 761 D CA 0.602 54.731 54.000 0.215 0.000 0.864 761 D CB -0.754 40.141 40.800 0.159 0.000 0.936 761 D HN 0.122 nan 8.370 nan 0.000 0.505 762 F N 1.784 121.811 119.950 0.128 0.000 2.113 762 F HA -0.029 4.499 4.527 0.001 0.000 0.297 762 F C 2.189 178.125 175.800 0.227 0.000 1.103 762 F CA 1.119 59.208 58.000 0.149 0.000 1.248 762 F CB -0.593 38.468 39.000 0.102 0.000 0.999 762 F HN -0.052 nan 8.300 nan 0.000 0.475 763 A N 0.299 123.166 122.820 0.078 0.000 1.884 763 A HA -0.345 3.975 4.320 0.001 0.000 0.219 763 A C 2.252 179.865 177.584 0.049 0.000 1.197 763 A CA 2.418 54.463 52.037 0.013 0.000 0.637 763 A CB -1.023 18.041 19.000 0.107 0.000 0.827 763 A HN 0.412 nan 8.150 nan 0.000 0.450 764 K N -1.621 118.873 120.400 0.157 0.000 2.009 764 K HA -0.218 4.103 4.320 0.001 0.000 0.210 764 K C 1.685 178.347 176.600 0.103 0.000 1.049 764 K CA 1.930 58.301 56.287 0.141 0.000 0.929 764 K CB -0.444 32.174 32.500 0.196 0.000 0.714 764 K HN 0.674 nan 8.250 nan 0.000 0.440 765 W N 0.880 122.157 121.300 -0.038 0.000 2.338 765 W HA -0.177 4.484 4.660 0.001 0.000 0.304 765 W C 1.313 177.755 176.519 -0.127 0.000 1.212 765 W CA 1.560 58.870 57.345 -0.057 0.000 1.264 765 W CB -0.172 29.281 29.460 -0.012 0.000 1.142 765 W HN 0.050 nan 8.180 nan 0.000 0.512 766 L N -0.612 120.560 121.223 -0.085 0.000 2.056 766 L HA -0.237 4.103 4.340 0.001 0.000 0.207 766 L C 2.275 178.981 176.870 -0.272 0.000 1.078 766 L CA 1.149 55.827 54.840 -0.270 0.000 0.749 766 L CB -1.266 40.622 42.059 -0.285 0.000 0.901 766 L HN -0.158 nan 8.230 nan 0.000 0.433 767 V N -0.060 119.745 119.914 -0.182 0.000 2.358 767 V HA -0.286 3.835 4.120 0.001 0.000 0.246 767 V C 2.522 178.503 176.094 -0.189 0.000 1.047 767 V CA 2.004 64.209 62.300 -0.159 0.000 1.035 767 V CB -0.548 31.215 31.823 -0.100 0.000 0.658 767 V HN 0.549 nan 8.190 nan 0.000 0.452 768 E N 0.052 120.127 120.200 -0.209 0.000 2.160 768 E HA -0.259 4.091 4.350 0.001 0.000 0.195 768 E C 1.973 178.382 176.600 -0.318 0.000 0.991 768 E CA 1.223 57.486 56.400 -0.228 0.000 0.810 768 E CB -0.007 29.573 29.700 -0.200 0.000 0.742 768 E HN 0.572 nan 8.360 nan 0.000 0.466 769 E N -0.460 119.456 120.200 -0.473 0.000 2.358 769 E HA -0.025 4.326 4.350 0.001 0.000 0.195 769 E C 1.054 177.479 176.600 -0.291 0.000 1.010 769 E CA 0.854 56.976 56.400 -0.464 0.000 0.856 769 E CB 0.394 29.663 29.700 -0.718 0.000 0.795 769 E HN 0.475 nan 8.360 nan 0.000 0.504 770 G N 1.982 110.634 108.800 -0.246 0.000 2.165 770 G HA2 -0.270 3.690 3.960 0.001 0.000 0.226 770 G HA3 -0.270 3.690 3.960 0.001 0.000 0.226 770 G C 0.116 174.900 174.900 -0.194 0.000 1.035 770 G CA 0.144 45.130 45.100 -0.191 0.000 0.744 770 G HN 0.229 nan 8.290 nan 0.000 0.501 771 I N 0.421 120.865 120.570 -0.209 0.000 2.752 771 I HA 0.283 4.454 4.170 0.001 0.000 0.287 771 I C 1.555 177.556 176.117 -0.192 0.000 1.188 771 I CA 0.769 61.947 61.300 -0.203 0.000 1.427 771 I CB 1.012 38.897 38.000 -0.192 0.000 1.365 771 I HN 0.382 nan 8.210 nan 0.000 0.585 772 E N 3.599 123.662 120.200 -0.228 0.000 2.190 772 E HA 0.018 4.369 4.350 0.001 0.000 0.191 772 E C 0.004 176.513 176.600 -0.150 0.000 0.978 772 E CA 0.633 56.919 56.400 -0.191 0.000 0.839 772 E CB 0.296 29.860 29.700 -0.227 0.000 0.787 772 E HN 0.729 nan 8.360 nan 0.000 0.473 773 S N -1.357 114.237 115.700 -0.176 0.000 2.615 773 S HA 0.574 5.045 4.470 0.001 0.000 0.269 773 S C -1.127 173.415 174.600 -0.097 0.000 1.161 773 S CA -0.988 57.151 58.200 -0.101 0.000 0.817 773 S CB 2.142 65.353 63.200 0.019 0.000 1.131 773 S HN -0.068 nan 8.310 nan 0.000 0.467 774 V N 1.221 121.093 119.914 -0.070 0.000 2.760 774 V HA 0.714 4.834 4.120 0.001 0.000 0.309 774 V C -0.622 175.458 176.094 -0.023 0.000 1.077 774 V CA -0.599 61.672 62.300 -0.048 0.000 0.910 774 V CB 2.148 33.935 31.823 -0.061 0.000 1.008 774 V HN 0.962 nan 8.190 nan 0.000 0.424 775 S N 5.109 120.808 115.700 -0.003 0.000 2.530 775 S HA 0.770 5.240 4.470 0.001 0.000 0.322 775 S C -0.656 173.935 174.600 -0.016 0.000 1.085 775 S CA -0.436 57.761 58.200 -0.005 0.000 1.096 775 S CB 0.720 63.926 63.200 0.010 0.000 0.988 775 S HN 0.501 nan 8.310 nan 0.000 0.466 776 L N 2.647 123.849 121.223 -0.035 0.000 2.354 776 L HA 0.528 4.868 4.340 0.001 0.000 0.264 776 L C -0.248 176.566 176.870 -0.093 0.000 1.008 776 L CA -1.277 53.536 54.840 -0.045 0.000 0.819 776 L CB 1.334 43.377 42.059 -0.026 0.000 1.339 776 L HN 0.447 nan 8.230 nan 0.000 0.420 777 N N 2.445 121.084 118.700 -0.102 0.000 2.412 777 N HA 0.009 4.749 4.740 0.001 0.000 0.258 777 N C -1.783 173.610 175.510 -0.194 0.000 1.236 777 N CA -1.043 51.912 53.050 -0.159 0.000 0.882 777 N CB 0.693 39.107 38.487 -0.122 0.000 1.066 777 N HN 0.316 nan 8.380 nan 0.000 0.465 778 P HA -0.197 nan 4.420 nan 0.000 0.218 778 P C 0.490 177.693 177.300 -0.162 0.000 1.154 778 P CA 1.457 64.342 63.100 -0.358 0.000 0.872 778 P CB 0.125 31.330 31.700 -0.826 0.000 0.790 779 D N -2.044 118.277 120.400 -0.131 0.000 2.352 779 D HA -0.061 4.580 4.640 0.001 0.000 0.232 779 D C 0.887 177.154 176.300 -0.055 0.000 1.055 779 D CA 0.939 54.898 54.000 -0.068 0.000 0.891 779 D CB -1.316 39.446 40.800 -0.064 0.000 0.897 779 D HN 0.230 nan 8.370 nan 0.000 0.529 780 T N -4.115 110.407 114.554 -0.054 0.000 3.040 780 T HA 0.219 4.569 4.350 0.001 0.000 0.266 780 T C 1.570 176.274 174.700 0.007 0.000 1.005 780 T CA -0.187 61.895 62.100 -0.030 0.000 0.906 780 T CB -0.019 68.823 68.868 -0.042 0.000 1.082 780 T HN -0.027 nan 8.240 nan 0.000 0.531 781 V N 1.362 121.284 119.914 0.014 0.000 2.283 781 V HA -0.019 4.102 4.120 0.001 0.000 0.243 781 V C 2.411 178.598 176.094 0.155 0.000 1.039 781 V CA 1.412 63.760 62.300 0.080 0.000 1.016 781 V CB -0.473 31.392 31.823 0.071 0.000 0.650 781 V HN 0.376 nan 8.190 nan 0.000 0.449 782 I N 0.235 120.861 120.570 0.094 0.000 2.226 782 I HA -0.205 3.966 4.170 0.001 0.000 0.245 782 I C 2.367 178.550 176.117 0.110 0.000 1.100 782 I CA 1.482 62.826 61.300 0.073 0.000 1.374 782 I CB -0.551 37.443 38.000 -0.010 0.000 1.057 782 I HN 0.327 nan 8.210 nan 0.000 0.413 783 E N -0.150 120.101 120.200 0.085 0.000 2.051 783 E HA -0.164 4.186 4.350 0.001 0.000 0.192 783 E C 2.222 178.914 176.600 0.153 0.000 0.991 783 E CA 1.962 58.417 56.400 0.091 0.000 0.799 783 E CB -0.679 29.046 29.700 0.042 0.000 0.748 783 E HN 0.392 nan 8.360 nan 0.000 0.449 784 T N 0.596 115.236 114.554 0.144 0.000 2.737 784 T HA -0.169 4.182 4.350 0.001 0.000 0.265 784 T C 1.259 176.114 174.700 0.260 0.000 1.038 784 T CA 1.048 63.249 62.100 0.168 0.000 1.144 784 T CB -0.417 68.506 68.868 0.091 0.000 0.866 784 T HN 0.311 nan 8.240 nan 0.000 0.434 785 W N 2.135 123.468 121.300 0.055 0.000 2.304 785 W HA -0.128 4.532 4.660 0.001 0.000 0.315 785 W C 1.806 178.356 176.519 0.052 0.000 1.233 785 W CA 1.097 58.468 57.345 0.044 0.000 1.261 785 W CB -1.035 28.439 29.460 0.023 0.000 1.150 785 W HN 0.260 nan 8.180 nan 0.000 0.494 786 L N -1.037 120.410 121.223 0.373 0.000 2.056 786 L HA -0.264 4.076 4.340 0.001 0.000 0.207 786 L C 2.547 179.532 176.870 0.192 0.000 1.078 786 L CA 1.747 56.722 54.840 0.225 0.000 0.749 786 L CB -1.444 40.686 42.059 0.118 0.000 0.901 786 L HN -0.075 nan 8.230 nan 0.000 0.433 787 Y N 0.762 121.125 120.300 0.105 0.000 2.128 787 Y HA -0.290 4.260 4.550 0.001 0.000 0.284 787 Y C 2.376 178.317 175.900 0.068 0.000 1.154 787 Y CA 1.689 59.833 58.100 0.073 0.000 1.149 787 Y CB -0.103 38.393 38.460 0.060 0.000 0.976 787 Y HN 0.004 nan 8.280 nan 0.000 0.505 788 L N -0.647 120.667 121.223 0.152 0.000 2.056 788 L HA -0.176 4.164 4.340 0.001 0.000 0.207 788 L C 2.773 179.630 176.870 -0.022 0.000 1.078 788 L CA 1.001 55.860 54.840 0.032 0.000 0.749 788 L CB -0.904 41.189 42.059 0.057 0.000 0.901 788 L HN 0.347 nan 8.230 nan 0.000 0.433 789 A N -0.006 122.858 122.820 0.073 0.000 1.898 789 A HA -0.247 4.073 4.320 0.001 0.000 0.216 789 A C 2.135 179.727 177.584 0.014 0.000 1.181 789 A CA 1.903 53.994 52.037 0.090 0.000 0.620 789 A CB -0.790 18.358 19.000 0.245 0.000 0.819 789 A HN 0.507 nan 8.150 nan 0.000 0.442 790 N N -0.589 118.097 118.700 -0.024 0.000 2.166 790 N HA -0.195 4.545 4.740 0.001 0.000 0.186 790 N C 1.635 177.069 175.510 -0.126 0.000 1.019 790 N CA 1.523 54.531 53.050 -0.070 0.000 0.856 790 N CB -0.066 38.369 38.487 -0.086 0.000 0.993 790 N HN 0.469 nan 8.380 nan 0.000 0.426 791 E N 0.280 120.355 120.200 -0.208 0.000 2.268 791 E HA -0.027 4.324 4.350 0.001 0.000 0.195 791 E C 0.568 177.106 176.600 -0.104 0.000 0.995 791 E CA 0.165 56.445 56.400 -0.200 0.000 0.836 791 E CB -0.026 29.508 29.700 -0.277 0.000 0.763 791 E HN 0.295 nan 8.360 nan 0.000 0.491 792 L N 0.000 121.179 121.223 -0.073 0.000 2.949 792 L HA 0.000 4.341 4.340 0.001 0.000 0.249 792 L CA 0.000 54.812 54.840 -0.047 0.000 0.813 792 L CB 0.000 42.038 42.059 -0.035 0.000 0.961 792 L HN 0.000 nan 8.230 nan 0.000 0.502