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 1kor_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKIVLAYSGG LDTSIILKWL KETYRAEVIA FTADIGQGEE VEEAREKALR DATA SEQUENCE TGASKAIALD LKEEFVRDFV FPMMRAGAVY EGYYLLGTSI ARPLIAKHLV DATA SEQUENCE RIAEEEGAEA IAHGATGKGN DQVRFELTAY ALKPDIKVIA PWREWSFQGR DATA SEQUENCE KEMIAYAEAH GIPVPXXXXX PYSMDANLLH ISYEGGVLED PWAEPPKGMF DATA SEQUENCE RMTQDPEEAP DAPEYVEVEF FEGDPVAVNG ERLSPAALLQ RLNEIGGRHG DATA SEQUENCE VGRVDIVENR FVGMKSRGVY ETPGGTILYH ARRAVESLTL DREVLHQRDM DATA SEQUENCE LSPKYAELVY YGFWYAPERE ALQAYFDHVA RSVTGVARLK LYKGNVYVVG DATA SEQUENCE RKAPKSLYRQ DLVSFXXXXG YDQKDAEGFI KIQALRLRVR ALVER VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.302 176.300 0.003 0.000 1.140 1 M CA 0.000 55.308 55.300 0.013 0.000 0.988 1 M CB 0.000 32.621 32.600 0.035 0.000 1.302 2 K N 4.912 125.307 120.400 -0.008 0.000 2.270 2 K HA 0.795 5.116 4.320 0.002 0.000 0.255 2 K C -1.372 175.207 176.600 -0.035 0.000 0.936 2 K CA -0.648 55.629 56.287 -0.017 0.000 0.809 2 K CB 2.383 34.873 32.500 -0.015 0.000 1.131 2 K HN 0.593 nan 8.250 nan 0.000 0.427 3 I N 2.467 123.013 120.570 -0.039 0.000 2.499 3 I HA 0.212 4.383 4.170 0.002 0.000 0.288 3 I C -0.689 175.405 176.117 -0.038 0.000 1.048 3 I CA -1.209 60.054 61.300 -0.062 0.000 1.062 3 I CB 2.139 40.084 38.000 -0.093 0.000 1.238 3 I HN 0.193 nan 8.210 nan 0.000 0.426 4 V N 6.657 126.547 119.914 -0.040 0.000 2.368 4 V HA 0.262 4.382 4.120 0.002 0.000 0.266 4 V C -0.122 175.972 176.094 0.000 0.000 1.045 4 V CA -0.482 61.810 62.300 -0.013 0.000 0.899 4 V CB 1.259 33.066 31.823 -0.026 0.000 1.006 4 V HN 0.409 nan 8.190 nan 0.000 0.470 5 L N 5.378 126.624 121.223 0.038 0.000 2.309 5 L HA 0.801 5.142 4.340 0.002 0.000 0.282 5 L C 0.558 177.501 176.870 0.122 0.000 1.036 5 L CA -0.189 54.686 54.840 0.059 0.000 0.806 5 L CB 1.339 43.447 42.059 0.081 0.000 1.220 5 L HN 0.673 nan 8.230 nan 0.000 0.429 6 A N 4.944 127.805 122.820 0.067 0.000 2.437 6 A HA 0.239 4.560 4.320 0.002 0.000 0.303 6 A C -1.156 176.481 177.584 0.089 0.000 1.324 6 A CA -0.117 51.953 52.037 0.055 0.000 0.983 6 A CB -0.834 18.079 19.000 -0.145 0.000 1.142 6 A HN 0.673 nan 8.150 nan 0.000 0.541 7 Y N 3.456 123.729 120.300 -0.045 0.000 2.385 7 Y HA 0.333 4.884 4.550 0.001 0.000 0.341 7 Y C 1.346 177.197 175.900 -0.082 0.000 0.965 7 Y CA -0.225 57.850 58.100 -0.040 0.000 1.180 7 Y CB 1.420 39.868 38.460 -0.020 0.000 1.139 7 Y HN 0.695 nan 8.280 nan 0.000 0.502 8 S N 2.460 117.906 115.700 -0.425 0.000 2.470 8 S HA 0.213 4.683 4.470 0.002 0.000 0.225 8 S C 1.549 175.846 174.600 -0.504 0.000 1.006 8 S CA 0.620 58.604 58.200 -0.361 0.000 0.934 8 S CB -0.053 63.017 63.200 -0.217 0.000 0.778 8 S HN 1.485 nan 8.310 nan 0.000 0.517 9 G N 0.282 108.469 108.800 -1.020 0.000 2.201 9 G HA2 -0.052 3.909 3.960 0.002 0.000 0.212 9 G HA3 -0.052 3.909 3.960 0.002 0.000 0.212 9 G C 0.479 175.160 174.900 -0.365 0.000 0.994 9 G CA -0.066 44.592 45.100 -0.737 0.000 0.644 9 G HN 0.996 nan 8.290 nan 0.000 0.508 10 G N -0.540 108.077 108.800 -0.305 0.000 2.508 10 G HA2 0.565 4.526 3.960 0.002 0.000 0.278 10 G HA3 0.565 4.526 3.960 0.002 0.000 0.278 10 G C 1.223 176.088 174.900 -0.058 0.000 1.389 10 G CA 0.229 45.251 45.100 -0.129 0.000 1.050 10 G HN 0.848 nan 8.290 nan 0.000 0.522 11 L N -0.524 120.695 121.223 -0.007 0.000 1.994 11 L HA -0.017 4.324 4.340 0.002 0.000 0.208 11 L C 2.295 179.203 176.870 0.064 0.000 1.071 11 L CA 2.362 57.219 54.840 0.030 0.000 0.745 11 L CB -0.640 41.430 42.059 0.018 0.000 0.892 11 L HN 0.461 nan 8.230 nan 0.000 0.431 12 D N -0.817 119.638 120.400 0.090 0.000 2.117 12 D HA -0.174 4.466 4.640 0.002 0.000 0.197 12 D C 2.167 178.572 176.300 0.174 0.000 0.987 12 D CA 2.042 56.141 54.000 0.164 0.000 0.829 12 D CB -0.534 40.453 40.800 0.312 0.000 0.961 12 D HN 0.569 nan 8.370 nan 0.000 0.460 13 T N -1.978 112.645 114.554 0.116 0.000 2.995 13 T HA -0.010 4.341 4.350 0.002 0.000 0.269 13 T C 2.094 176.995 174.700 0.335 0.000 1.091 13 T CA 0.976 63.173 62.100 0.161 0.000 1.128 13 T CB -0.132 68.733 68.868 -0.005 0.000 0.891 13 T HN -0.102 nan 8.240 nan 0.000 0.492 14 S N 1.344 117.221 115.700 0.295 0.000 2.371 14 S HA 0.166 4.637 4.470 0.002 0.000 0.224 14 S C 1.939 176.694 174.600 0.259 0.000 1.029 14 S CA 0.740 59.159 58.200 0.365 0.000 0.978 14 S CB -0.408 62.944 63.200 0.253 0.000 0.833 14 S HN 0.455 nan 8.310 nan 0.000 0.466 15 I N 1.421 122.123 120.570 0.220 0.000 2.208 15 I HA -0.193 3.978 4.170 0.002 0.000 0.245 15 I C 1.976 178.310 176.117 0.362 0.000 1.097 15 I CA 1.228 62.686 61.300 0.262 0.000 1.363 15 I CB -0.326 37.737 38.000 0.105 0.000 1.051 15 I HN 0.258 nan 8.210 nan 0.000 0.413 16 I N 0.224 120.991 120.570 0.329 0.000 2.286 16 I HA -0.309 3.862 4.170 0.002 0.000 0.248 16 I C 2.524 178.857 176.117 0.360 0.000 1.115 16 I CA 1.251 62.767 61.300 0.360 0.000 1.392 16 I CB -0.206 37.913 38.000 0.198 0.000 1.065 16 I HN 0.272 nan 8.210 nan 0.000 0.418 17 L N 0.695 122.085 121.223 0.279 0.000 2.012 17 L HA -0.244 4.097 4.340 0.002 0.000 0.210 17 L C 2.684 179.666 176.870 0.187 0.000 1.073 17 L CA 1.628 56.580 54.840 0.186 0.000 0.748 17 L CB -0.280 41.835 42.059 0.094 0.000 0.891 17 L HN 0.128 nan 8.230 nan 0.000 0.431 18 K N -0.788 119.735 120.400 0.204 0.000 2.057 18 K HA -0.249 4.072 4.320 0.002 0.000 0.206 18 K C 1.752 178.501 176.600 0.248 0.000 1.050 18 K CA 1.818 58.197 56.287 0.154 0.000 0.935 18 K CB -0.770 31.719 32.500 -0.017 0.000 0.715 18 K HN 0.497 nan 8.250 nan 0.000 0.439 19 W N 2.056 123.477 121.300 0.202 0.000 2.338 19 W HA -0.174 4.487 4.660 0.001 0.000 0.304 19 W C 1.775 178.391 176.519 0.160 0.000 1.212 19 W CA 1.383 58.839 57.345 0.185 0.000 1.264 19 W CB -0.299 29.270 29.460 0.183 0.000 1.142 19 W HN -0.047 nan 8.180 nan 0.000 0.512 20 L N 0.558 122.000 121.223 0.365 0.000 2.017 20 L HA -0.245 4.096 4.340 0.002 0.000 0.208 20 L C 2.671 179.582 176.870 0.070 0.000 1.073 20 L CA 1.577 56.542 54.840 0.208 0.000 0.745 20 L CB -0.930 41.260 42.059 0.218 0.000 0.894 20 L HN -0.096 nan 8.230 nan 0.000 0.432 21 K N -0.036 120.405 120.400 0.068 0.000 2.032 21 K HA -0.270 4.051 4.320 0.002 0.000 0.209 21 K C 2.015 178.609 176.600 -0.010 0.000 1.048 21 K CA 1.940 58.248 56.287 0.036 0.000 0.927 21 K CB -0.178 32.349 32.500 0.045 0.000 0.712 21 K HN 0.385 nan 8.250 nan 0.000 0.441 22 E N 0.317 120.489 120.200 -0.046 0.000 2.076 22 E HA -0.096 4.255 4.350 0.002 0.000 0.190 22 E C 1.718 178.184 176.600 -0.222 0.000 0.979 22 E CA 1.144 57.488 56.400 -0.094 0.000 0.807 22 E CB 0.183 29.858 29.700 -0.042 0.000 0.761 22 E HN 0.128 nan 8.360 nan 0.000 0.454 23 T N -0.218 114.081 114.554 -0.424 0.000 2.708 23 T HA -0.149 4.202 4.350 0.002 0.000 0.266 23 T C 0.851 175.216 174.700 -0.559 0.000 1.037 23 T CA 1.337 63.046 62.100 -0.653 0.000 1.146 23 T CB -0.282 67.802 68.868 -1.307 0.000 0.865 23 T HN 0.278 nan 8.240 nan 0.000 0.435 24 Y N 0.666 120.793 120.300 -0.289 0.000 2.485 24 Y HA 0.374 4.925 4.550 0.002 0.000 0.260 24 Y C 0.635 176.471 175.900 -0.107 0.000 1.173 24 Y CA -0.696 57.306 58.100 -0.163 0.000 1.252 24 Y CB -0.186 38.202 38.460 -0.120 0.000 1.123 24 Y HN 0.021 nan 8.280 nan 0.000 0.524 25 R N 0.032 120.521 120.500 -0.019 0.000 3.158 25 R HA -0.152 4.189 4.340 0.002 0.000 0.244 25 R C -0.294 176.020 176.300 0.023 0.000 0.900 25 R CA 0.523 56.616 56.100 -0.012 0.000 0.618 25 R CB -1.800 28.481 30.300 -0.031 0.000 1.061 25 R HN 0.280 nan 8.270 nan 0.000 0.471 26 A N 0.647 123.490 122.820 0.038 0.000 2.532 26 A HA 0.602 4.923 4.320 0.002 0.000 0.290 26 A C -0.424 177.171 177.584 0.019 0.000 1.143 26 A CA -0.947 51.109 52.037 0.032 0.000 0.728 26 A CB 1.221 20.247 19.000 0.045 0.000 1.317 26 A HN 0.358 nan 8.150 nan 0.000 0.414 27 E N 0.222 120.427 120.200 0.009 0.000 2.242 27 E HA 0.614 4.965 4.350 0.002 0.000 0.275 27 E C -1.226 175.372 176.600 -0.002 0.000 1.002 27 E CA -0.756 55.645 56.400 0.003 0.000 0.841 27 E CB 1.688 31.387 29.700 -0.002 0.000 1.109 27 E HN 0.221 nan 8.360 nan 0.000 0.394 28 V N 3.595 123.506 119.914 -0.005 0.000 2.459 28 V HA 0.285 4.406 4.120 0.002 0.000 0.295 28 V C -0.393 175.688 176.094 -0.022 0.000 1.029 28 V CA -0.805 61.489 62.300 -0.011 0.000 0.874 28 V CB 1.173 32.994 31.823 -0.003 0.000 0.985 28 V HN 0.619 nan 8.190 nan 0.000 0.438 29 I N 4.363 124.926 120.570 -0.012 0.000 2.312 29 I HA 0.577 4.748 4.170 0.002 0.000 0.290 29 I C 0.636 176.763 176.117 0.016 0.000 1.008 29 I CA 0.178 61.476 61.300 -0.003 0.000 1.226 29 I CB 1.507 39.510 38.000 0.005 0.000 1.371 29 I HN 0.698 nan 8.210 nan 0.000 0.468 30 A N 6.684 129.499 122.820 -0.008 0.000 2.331 30 A HA 0.632 4.953 4.320 0.002 0.000 0.283 30 A C -0.919 176.757 177.584 0.154 0.000 1.142 30 A CA -0.200 51.842 52.037 0.009 0.000 0.812 30 A CB 0.256 19.122 19.000 -0.223 0.000 1.074 30 A HN 0.540 nan 8.150 nan 0.000 0.497 31 F N 2.144 122.120 119.950 0.045 0.000 2.507 31 F HA 0.605 5.133 4.527 0.002 0.000 0.328 31 F C -0.412 175.427 175.800 0.065 0.000 1.136 31 F CA -0.287 57.736 58.000 0.039 0.000 0.930 31 F CB 2.020 41.029 39.000 0.016 0.000 1.166 31 F HN 0.417 nan 8.300 nan 0.000 0.436 32 T N 5.824 120.002 114.554 -0.626 0.000 2.812 32 T HA 0.776 5.127 4.350 0.002 0.000 0.282 32 T C -0.630 173.536 174.700 -0.890 0.000 0.990 32 T CA -0.523 61.220 62.100 -0.596 0.000 0.960 32 T CB 1.260 70.013 68.868 -0.192 0.000 0.948 32 T HN 0.789 nan 8.240 nan 0.000 0.438 33 A N 2.419 124.734 122.820 -0.841 0.000 2.317 33 A HA 0.634 4.955 4.320 0.002 0.000 0.327 33 A C -0.391 176.997 177.584 -0.326 0.000 1.178 33 A CA -0.707 50.976 52.037 -0.591 0.000 0.817 33 A CB 0.692 19.399 19.000 -0.489 0.000 1.189 33 A HN 0.699 nan 8.150 nan 0.000 0.489 34 D N 2.574 122.839 120.400 -0.225 0.000 2.380 34 D HA 0.357 4.997 4.640 0.002 0.000 0.230 34 D C 0.331 176.534 176.300 -0.162 0.000 1.154 34 D CA -0.215 53.689 54.000 -0.159 0.000 0.859 34 D CB 0.388 41.130 40.800 -0.097 0.000 1.045 34 D HN 0.460 nan 8.370 nan 0.000 0.495 35 I N 0.652 121.097 120.570 -0.208 0.000 3.707 35 I HA 0.484 4.655 4.170 0.002 0.000 0.330 35 I C 0.929 176.943 176.117 -0.173 0.000 1.572 35 I CA -0.718 60.413 61.300 -0.282 0.000 1.104 35 I CB 0.405 38.046 38.000 -0.598 0.000 1.240 35 I HN 0.437 nan 8.210 nan 0.000 0.475 36 G N 2.217 110.967 108.800 -0.084 0.000 2.142 36 G HA2 -0.261 3.700 3.960 0.002 0.000 0.225 36 G HA3 -0.261 3.700 3.960 0.002 0.000 0.225 36 G C 0.350 175.233 174.900 -0.028 0.000 1.015 36 G CA 0.359 45.445 45.100 -0.023 0.000 0.716 36 G HN 0.558 nan 8.290 nan 0.000 0.508 37 Q N -0.137 119.625 119.800 -0.063 0.000 2.515 37 Q HA 0.420 4.761 4.340 0.002 0.000 0.212 37 Q C 1.897 177.877 176.000 -0.033 0.000 0.970 37 Q CA 1.162 56.932 55.803 -0.054 0.000 0.941 37 Q CB 0.089 28.777 28.738 -0.084 0.000 0.998 37 Q HN 1.785 nan 8.270 nan 0.000 0.518 38 G N 0.258 109.044 108.800 -0.023 0.000 2.256 38 G HA2 -0.275 3.686 3.960 0.002 0.000 0.272 38 G HA3 -0.275 3.686 3.960 0.002 0.000 0.272 38 G C -0.572 174.317 174.900 -0.019 0.000 1.076 38 G CA 0.219 45.313 45.100 -0.011 0.000 0.882 38 G HN 0.358 nan 8.290 nan 0.000 0.497 39 E N -1.174 119.007 120.200 -0.031 0.000 2.446 39 E HA 0.499 4.850 4.350 0.002 0.000 0.276 39 E C -0.856 175.725 176.600 -0.033 0.000 0.969 39 E CA -1.161 55.219 56.400 -0.033 0.000 0.800 39 E CB 1.233 30.904 29.700 -0.048 0.000 1.341 39 E HN 0.046 nan 8.360 nan 0.000 0.460 40 E N 1.097 121.281 120.200 -0.026 0.000 1.996 40 E HA 0.119 4.470 4.350 0.002 0.000 0.280 40 E C 0.060 176.644 176.600 -0.026 0.000 1.092 40 E CA -0.036 56.352 56.400 -0.020 0.000 0.862 40 E CB 0.753 30.448 29.700 -0.009 0.000 1.066 40 E HN 0.378 nan 8.360 nan 0.000 0.396 41 V N 4.704 124.596 119.914 -0.038 0.000 2.594 41 V HA -0.176 3.945 4.120 0.002 0.000 0.253 41 V C 1.736 177.819 176.094 -0.018 0.000 1.069 41 V CA 1.500 63.771 62.300 -0.048 0.000 1.082 41 V CB -0.350 31.427 31.823 -0.077 0.000 0.680 41 V HN 0.599 nan 8.190 nan 0.000 0.469 42 E N -0.008 120.188 120.200 -0.008 0.000 2.268 42 E HA -0.166 4.185 4.350 0.002 0.000 0.195 42 E C 2.162 178.772 176.600 0.017 0.000 0.995 42 E CA 0.742 57.146 56.400 0.006 0.000 0.836 42 E CB -0.015 29.689 29.700 0.006 0.000 0.763 42 E HN 0.713 nan 8.360 nan 0.000 0.491 43 E N 0.442 120.651 120.200 0.015 0.000 2.107 43 E HA -0.051 4.300 4.350 0.002 0.000 0.191 43 E C 1.988 178.620 176.600 0.053 0.000 0.982 43 E CA 0.778 57.193 56.400 0.025 0.000 0.809 43 E CB 0.020 29.729 29.700 0.013 0.000 0.756 43 E HN 0.155 nan 8.360 nan 0.000 0.459 44 A N 1.581 124.437 122.820 0.059 0.000 1.930 44 A HA -0.160 4.161 4.320 0.002 0.000 0.217 44 A C 2.093 179.807 177.584 0.217 0.000 1.175 44 A CA 1.144 53.268 52.037 0.146 0.000 0.627 44 A CB -0.357 18.681 19.000 0.063 0.000 0.815 44 A HN 0.049 nan 8.150 nan 0.000 0.443 45 R N -0.107 120.456 120.500 0.104 0.000 2.081 45 R HA -0.173 4.168 4.340 0.002 0.000 0.235 45 R C 1.963 178.281 176.300 0.030 0.000 1.131 45 R CA 1.907 58.043 56.100 0.059 0.000 0.960 45 R CB -0.250 30.069 30.300 0.032 0.000 0.856 45 R HN 0.672 nan 8.270 nan 0.000 0.436 46 E N 0.000 120.223 120.200 0.037 0.000 2.106 46 E HA -0.183 4.167 4.350 0.002 0.000 0.192 46 E C 1.931 178.547 176.600 0.027 0.000 0.984 46 E CA 1.045 57.459 56.400 0.023 0.000 0.806 46 E CB 0.050 29.764 29.700 0.023 0.000 0.750 46 E HN 0.242 nan 8.360 nan 0.000 0.458 47 K N 0.658 121.098 120.400 0.067 0.000 2.148 47 K HA -0.103 4.218 4.320 0.002 0.000 0.204 47 K C 2.065 178.687 176.600 0.037 0.000 1.050 47 K CA 0.987 57.328 56.287 0.091 0.000 0.942 47 K CB -0.035 32.567 32.500 0.169 0.000 0.724 47 K HN 0.075 nan 8.250 nan 0.000 0.446 48 A N 1.360 124.139 122.820 -0.068 0.000 1.902 48 A HA -0.128 4.193 4.320 0.002 0.000 0.217 48 A C 2.072 179.535 177.584 -0.202 0.000 1.181 48 A CA 1.218 53.011 52.037 -0.406 0.000 0.623 48 A CB -0.564 18.071 19.000 -0.609 0.000 0.818 48 A HN 0.304 nan 8.150 nan 0.000 0.443 49 L N -1.264 119.897 121.223 -0.102 0.000 2.083 49 L HA -0.161 4.180 4.340 0.002 0.000 0.209 49 L C 2.820 179.668 176.870 -0.037 0.000 1.083 49 L CA 1.357 56.161 54.840 -0.060 0.000 0.752 49 L CB -0.435 41.605 42.059 -0.031 0.000 0.899 49 L HN 0.346 nan 8.230 nan 0.000 0.433 50 R N -0.842 119.646 120.500 -0.020 0.000 2.148 50 R HA -0.073 4.268 4.340 0.002 0.000 0.223 50 R C 2.024 178.326 176.300 0.003 0.000 1.088 50 R CA 1.412 57.511 56.100 -0.002 0.000 0.985 50 R CB -0.244 30.063 30.300 0.013 0.000 0.880 50 R HN 0.303 nan 8.270 nan 0.000 0.451 51 T N -1.274 113.275 114.554 -0.008 0.000 3.067 51 T HA 0.081 4.432 4.350 0.002 0.000 0.261 51 T C 1.139 175.839 174.700 0.001 0.000 1.110 51 T CA 1.129 63.235 62.100 0.010 0.000 1.113 51 T CB 0.616 69.493 68.868 0.015 0.000 0.917 51 T HN 0.563 nan 8.240 nan 0.000 0.499 52 G N 0.804 109.589 108.800 -0.025 0.000 2.273 52 G HA2 0.091 4.052 3.960 0.002 0.000 0.162 52 G HA3 0.091 4.052 3.960 0.002 0.000 0.162 52 G C 0.200 175.079 174.900 -0.034 0.000 1.006 52 G CA -0.321 44.770 45.100 -0.015 0.000 0.704 52 G HN 0.735 nan 8.290 nan 0.000 0.487 53 A N 0.936 123.712 122.820 -0.074 0.000 2.498 53 A HA 0.626 4.947 4.320 0.002 0.000 0.239 53 A C 1.765 179.322 177.584 -0.044 0.000 1.068 53 A CA 1.244 53.235 52.037 -0.077 0.000 0.766 53 A CB 0.430 19.349 19.000 -0.136 0.000 1.003 53 A HN 1.615 nan 8.150 nan 0.000 0.497 54 S N 1.067 116.749 115.700 -0.029 0.000 2.461 54 S HA 0.073 4.544 4.470 0.002 0.000 0.228 54 S C 0.563 175.154 174.600 -0.016 0.000 1.005 54 S CA 1.109 59.298 58.200 -0.018 0.000 0.942 54 S CB -0.143 63.050 63.200 -0.011 0.000 0.776 54 S HN 0.803 nan 8.310 nan 0.000 0.514 55 K N -0.178 120.210 120.400 -0.020 0.000 2.557 55 K HA 0.593 4.914 4.320 0.002 0.000 0.257 55 K C -2.201 174.391 176.600 -0.013 0.000 0.933 55 K CA -0.426 55.855 56.287 -0.009 0.000 0.820 55 K CB 1.809 34.309 32.500 0.001 0.000 1.330 55 K HN 0.151 nan 8.250 nan 0.000 0.432 56 A N 5.089 127.907 122.820 -0.005 0.000 2.343 56 A HA 0.684 5.005 4.320 0.002 0.000 0.308 56 A C -1.047 176.565 177.584 0.047 0.000 1.092 56 A CA -0.754 51.283 52.037 0.000 0.000 0.751 56 A CB 0.496 19.474 19.000 -0.036 0.000 1.203 56 A HN 0.627 nan 8.150 nan 0.000 0.452 57 I N 1.827 122.459 120.570 0.103 0.000 2.433 57 I HA 0.647 4.817 4.170 0.002 0.000 0.292 57 I C 0.294 176.510 176.117 0.165 0.000 1.001 57 I CA -0.478 60.918 61.300 0.159 0.000 1.119 57 I CB 2.165 40.307 38.000 0.236 0.000 1.289 57 I HN 0.714 nan 8.210 nan 0.000 0.438 58 A N 7.692 130.574 122.820 0.104 0.000 2.359 58 A HA 0.878 5.199 4.320 0.002 0.000 0.303 58 A C -1.125 176.490 177.584 0.051 0.000 1.066 58 A CA -0.411 51.635 52.037 0.015 0.000 0.730 58 A CB 1.124 20.117 19.000 -0.011 0.000 1.211 58 A HN 0.663 nan 8.150 nan 0.000 0.439 59 L N 1.489 122.729 121.223 0.028 0.000 2.381 59 L HA 0.443 4.784 4.340 0.002 0.000 0.268 59 L C -0.885 175.973 176.870 -0.020 0.000 0.997 59 L CA -0.965 53.909 54.840 0.056 0.000 0.818 59 L CB 2.289 44.444 42.059 0.159 0.000 1.310 59 L HN 0.725 nan 8.230 nan 0.000 0.416 60 D N 3.216 123.618 120.400 0.002 0.000 2.365 60 D HA 0.263 4.904 4.640 0.002 0.000 0.237 60 D C 0.038 176.339 176.300 0.002 0.000 1.190 60 D CA 0.035 54.029 54.000 -0.009 0.000 0.867 60 D CB 0.871 41.677 40.800 0.009 0.000 1.050 60 D HN 0.395 nan 8.370 nan 0.000 0.491 61 L N 3.502 124.709 121.223 -0.026 0.000 2.965 61 L HA 0.215 4.556 4.340 0.002 0.000 0.254 61 L C 1.727 178.633 176.870 0.059 0.000 1.220 61 L CA -0.346 54.497 54.840 0.005 0.000 1.023 61 L CB 0.216 42.230 42.059 -0.074 0.000 1.355 61 L HN 0.104 nan 8.230 nan 0.000 0.545 62 K N 0.516 120.948 120.400 0.053 0.000 2.026 62 K HA -0.136 4.185 4.320 0.002 0.000 0.208 62 K C 2.006 178.675 176.600 0.115 0.000 1.048 62 K CA 1.229 57.580 56.287 0.106 0.000 0.929 62 K CB 0.076 32.614 32.500 0.064 0.000 0.713 62 K HN 0.138 nan 8.250 nan 0.000 0.439 63 E N 0.586 120.826 120.200 0.066 0.000 2.051 63 E HA -0.239 4.112 4.350 0.002 0.000 0.192 63 E C 2.079 178.713 176.600 0.056 0.000 0.991 63 E CA 1.160 57.578 56.400 0.029 0.000 0.799 63 E CB -0.114 29.605 29.700 0.031 0.000 0.748 63 E HN 0.448 nan 8.360 nan 0.000 0.449 64 E N -0.069 120.215 120.200 0.140 0.000 2.077 64 E HA -0.193 4.158 4.350 0.002 0.000 0.193 64 E C 2.027 178.834 176.600 0.345 0.000 0.989 64 E CA 0.728 57.270 56.400 0.237 0.000 0.800 64 E CB -0.226 29.659 29.700 0.308 0.000 0.746 64 E HN 0.123 nan 8.360 nan 0.000 0.452 65 F N 1.232 121.239 119.950 0.095 0.000 2.043 65 F HA -0.235 4.293 4.527 0.001 0.000 0.297 65 F C 2.020 177.856 175.800 0.061 0.000 1.121 65 F CA 1.658 59.678 58.000 0.033 0.000 1.199 65 F CB -0.790 38.151 39.000 -0.099 0.000 0.968 65 F HN -0.087 nan 8.300 nan 0.000 0.478 66 V N 1.120 120.855 119.914 -0.300 0.000 2.358 66 V HA -0.234 3.887 4.120 0.002 0.000 0.246 66 V C 2.654 178.367 176.094 -0.636 0.000 1.047 66 V CA 2.186 64.128 62.300 -0.596 0.000 1.035 66 V CB -0.858 30.634 31.823 -0.550 0.000 0.658 66 V HN 0.338 nan 8.190 nan 0.000 0.452 67 R N 0.174 120.426 120.500 -0.415 0.000 2.066 67 R HA -0.150 4.190 4.340 0.002 0.000 0.232 67 R C 1.640 177.916 176.300 -0.041 0.000 1.131 67 R CA 1.978 57.904 56.100 -0.290 0.000 0.955 67 R CB -0.154 30.080 30.300 -0.111 0.000 0.851 67 R HN 0.474 nan 8.270 nan 0.000 0.432 68 D N -1.388 119.042 120.400 0.050 0.000 2.360 68 D HA 0.042 4.683 4.640 0.002 0.000 0.210 68 D C 0.584 176.738 176.300 -0.243 0.000 1.047 68 D CA 0.576 54.558 54.000 -0.030 0.000 0.854 68 D CB 0.405 41.178 40.800 -0.046 0.000 0.936 68 D HN 0.207 nan 8.370 nan 0.000 0.514 69 F N -0.900 119.044 119.950 -0.009 0.000 2.421 69 F HA 0.074 4.602 4.527 0.002 0.000 0.270 69 F C 2.140 177.799 175.800 -0.236 0.000 0.894 69 F CA -0.048 57.854 58.000 -0.163 0.000 1.128 69 F CB -0.351 38.464 39.000 -0.309 0.000 1.011 69 F HN -0.253 nan 8.300 nan 0.000 0.788 70 V N 0.490 120.293 119.914 -0.186 0.000 2.270 70 V HA -0.245 3.876 4.120 0.002 0.000 0.245 70 V C 2.234 178.403 176.094 0.125 0.000 1.043 70 V CA 1.690 63.874 62.300 -0.193 0.000 1.014 70 V CB -0.638 30.920 31.823 -0.441 0.000 0.645 70 V HN 0.151 nan 8.190 nan 0.000 0.447 71 F N 0.328 120.232 119.950 -0.077 0.000 2.095 71 F HA -0.060 4.468 4.527 0.001 0.000 0.298 71 F C 0.198 176.015 175.800 0.028 0.000 1.104 71 F CA 1.165 59.152 58.000 -0.021 0.000 1.232 71 F CB -2.555 36.438 39.000 -0.012 0.000 0.987 71 F HN 0.274 nan 8.300 nan 0.000 0.475 72 P HA -0.215 nan 4.420 nan 0.000 0.215 72 P C 2.186 179.633 177.300 0.245 0.000 1.153 72 P CA 1.659 64.911 63.100 0.254 0.000 0.853 72 P CB -0.202 31.707 31.700 0.349 0.000 0.788 73 M N -1.649 118.151 119.600 0.332 0.000 2.117 73 M HA -0.155 4.326 4.480 0.002 0.000 0.262 73 M C 1.926 178.248 176.300 0.037 0.000 1.065 73 M CA 2.004 57.493 55.300 0.315 0.000 1.114 73 M CB -0.429 32.323 32.600 0.253 0.000 1.361 73 M HN -0.152 nan 8.290 nan 0.000 0.408 74 M N -0.805 118.815 119.600 0.034 0.000 2.213 74 M HA -0.191 4.289 4.480 0.002 0.000 0.263 74 M C 2.240 178.469 176.300 -0.119 0.000 1.062 74 M CA 1.505 56.790 55.300 -0.025 0.000 1.105 74 M CB -0.555 32.056 32.600 0.019 0.000 1.385 74 M HN 0.300 nan 8.290 nan 0.000 0.417 75 R N 0.503 120.936 120.500 -0.113 0.000 2.105 75 R HA -0.138 4.203 4.340 0.002 0.000 0.239 75 R C 1.903 178.023 176.300 -0.301 0.000 1.135 75 R CA 1.656 57.667 56.100 -0.149 0.000 0.967 75 R CB -0.174 30.085 30.300 -0.069 0.000 0.861 75 R HN 0.383 nan 8.270 nan 0.000 0.442 76 A N -0.566 121.918 122.820 -0.560 0.000 2.238 76 A HA 0.192 4.513 4.320 0.002 0.000 0.208 76 A C 1.235 178.294 177.584 -0.875 0.000 1.177 76 A CA 0.693 51.974 52.037 -1.261 0.000 0.804 76 A CB -0.091 17.544 19.000 -2.275 0.000 0.823 76 A HN 0.515 nan 8.150 nan 0.000 0.482 77 G N -1.127 107.416 108.800 -0.429 0.000 2.198 77 G HA2 0.038 3.999 3.960 0.002 0.000 0.260 77 G HA3 0.038 3.999 3.960 0.002 0.000 0.260 77 G C 0.411 175.252 174.900 -0.099 0.000 1.025 77 G CA 0.404 45.377 45.100 -0.212 0.000 0.769 77 G HN 1.637 nan 8.290 nan 0.000 0.507 78 A N -0.585 122.155 122.820 -0.133 0.000 2.522 78 A HA 0.557 4.878 4.320 0.002 0.000 0.256 78 A C 0.398 177.993 177.584 0.018 0.000 1.086 78 A CA 0.797 52.840 52.037 0.011 0.000 0.763 78 A CB 0.663 19.775 19.000 0.186 0.000 1.024 78 A HN 1.324 nan 8.150 nan 0.000 0.502 79 V N 3.993 123.916 119.914 0.015 0.000 2.612 79 V HA 0.206 4.327 4.120 0.002 0.000 0.301 79 V C -1.065 175.041 176.094 0.020 0.000 1.059 79 V CA -0.517 61.759 62.300 -0.039 0.000 0.886 79 V CB 1.541 33.289 31.823 -0.124 0.000 1.007 79 V HN 0.802 nan 8.190 nan 0.000 0.426 80 Y N 3.681 123.921 120.300 -0.101 0.000 2.327 80 Y HA 0.364 4.915 4.550 0.002 0.000 0.336 80 Y C 1.118 176.976 175.900 -0.070 0.000 1.035 80 Y CA -0.441 57.599 58.100 -0.100 0.000 1.165 80 Y CB 0.604 38.996 38.460 -0.112 0.000 1.181 80 Y HN 0.877 nan 8.280 nan 0.000 0.494 81 E N 4.230 124.063 120.200 -0.610 0.000 2.269 81 E HA -0.315 4.036 4.350 0.002 0.000 0.223 81 E C 1.155 177.621 176.600 -0.224 0.000 1.244 81 E CA 0.697 56.811 56.400 -0.477 0.000 0.713 81 E CB -1.491 27.834 29.700 -0.626 0.000 1.178 81 E HN 1.205 nan 8.360 nan 0.000 0.370 82 G N -1.274 107.362 108.800 -0.273 0.000 2.347 82 G HA2 -0.413 3.548 3.960 0.002 0.000 0.247 82 G HA3 -0.413 3.548 3.960 0.002 0.000 0.247 82 G C 0.540 175.022 174.900 -0.698 0.000 1.037 82 G CA 0.917 45.716 45.100 -0.501 0.000 0.622 82 G HN 0.439 nan 8.290 nan 0.000 0.521 83 Y N -2.385 117.889 120.300 -0.042 0.000 2.460 83 Y HA 0.403 4.954 4.550 0.002 0.000 0.276 83 Y C 0.765 176.694 175.900 0.048 0.000 1.119 83 Y CA -0.544 57.547 58.100 -0.016 0.000 1.181 83 Y CB 0.292 38.771 38.460 0.032 0.000 1.304 83 Y HN 0.192 nan 8.280 nan 0.000 0.536 84 Y N 3.150 123.489 120.300 0.065 0.000 2.587 84 Y HA 0.197 4.748 4.550 0.002 0.000 0.344 84 Y C 0.661 176.525 175.900 -0.061 0.000 1.061 84 Y CA -0.902 57.169 58.100 -0.048 0.000 1.370 84 Y CB 0.330 38.764 38.460 -0.043 0.000 1.163 84 Y HN 0.135 nan 8.280 nan 0.000 0.527 85 L N 7.193 128.273 121.223 -0.239 0.000 2.650 85 L HA -0.012 4.329 4.340 0.002 0.000 0.235 85 L C 0.678 177.188 176.870 -0.599 0.000 1.149 85 L CA 0.168 54.814 54.840 -0.323 0.000 0.887 85 L CB -0.447 41.529 42.059 -0.138 0.000 1.021 85 L HN 0.806 nan 8.230 nan 0.000 0.441 86 L N -0.742 119.625 121.223 -1.427 0.000 3.865 86 L HA -0.259 4.082 4.340 0.002 0.000 0.408 86 L C 1.767 178.199 176.870 -0.729 0.000 1.209 86 L CA 0.090 54.161 54.840 -1.283 0.000 0.940 86 L CB -2.105 39.613 42.059 -0.569 0.000 1.971 86 L HN 0.404 nan 8.230 nan 0.000 0.899 87 G N -0.599 107.743 108.800 -0.765 0.000 2.476 87 G HA2 -0.281 3.680 3.960 0.002 0.000 0.218 87 G HA3 -0.281 3.680 3.960 0.002 0.000 0.218 87 G C 1.249 175.764 174.900 -0.642 0.000 1.164 87 G CA 1.665 46.163 45.100 -1.003 0.000 0.768 87 G HN 0.423 nan 8.290 nan 0.000 0.560 88 T N 0.820 115.211 114.554 -0.272 0.000 2.937 88 T HA 0.004 4.355 4.350 0.002 0.000 0.260 88 T C 2.891 177.524 174.700 -0.112 0.000 1.051 88 T CA 1.180 63.277 62.100 -0.006 0.000 1.141 88 T CB -0.182 68.814 68.868 0.213 0.000 0.879 88 T HN 0.278 nan 8.240 nan 0.000 0.459 89 S N 2.427 118.062 115.700 -0.108 0.000 2.359 89 S HA -0.146 4.325 4.470 0.002 0.000 0.223 89 S C 1.973 176.429 174.600 -0.240 0.000 1.039 89 S CA 1.610 59.697 58.200 -0.189 0.000 1.042 89 S CB -0.513 62.588 63.200 -0.165 0.000 0.915 89 S HN 0.609 nan 8.310 nan 0.000 0.439 90 I N 1.228 121.653 120.570 -0.240 0.000 3.001 90 I HA 0.187 4.358 4.170 0.002 0.000 0.268 90 I C 2.011 178.015 176.117 -0.188 0.000 1.267 90 I CA 0.364 61.485 61.300 -0.298 0.000 1.472 90 I CB -0.928 36.890 38.000 -0.302 0.000 1.089 90 I HN 0.173 nan 8.210 nan 0.000 0.468 91 A N 1.046 123.786 122.820 -0.133 0.000 1.975 91 A HA 0.035 4.356 4.320 0.002 0.000 0.215 91 A C 2.288 179.679 177.584 -0.322 0.000 1.170 91 A CA 0.444 52.310 52.037 -0.284 0.000 0.656 91 A CB -0.247 18.484 19.000 -0.448 0.000 0.821 91 A HN 0.200 nan 8.150 nan 0.000 0.449 92 R N 0.127 120.454 120.500 -0.287 0.000 2.091 92 R HA -0.093 4.248 4.340 0.002 0.000 0.238 92 R C -0.600 175.670 176.300 -0.050 0.000 1.136 92 R CA 1.625 57.569 56.100 -0.259 0.000 0.959 92 R CB -2.373 27.566 30.300 -0.601 0.000 0.856 92 R HN 0.374 nan 8.270 nan 0.000 0.437 93 P HA -0.143 nan 4.420 nan 0.000 0.216 93 P C 1.598 179.024 177.300 0.210 0.000 1.150 93 P CA 0.755 63.948 63.100 0.154 0.000 0.837 93 P CB -0.113 31.633 31.700 0.076 0.000 0.786 94 L N -0.483 120.570 121.223 -0.285 0.000 2.017 94 L HA -0.152 4.189 4.340 0.002 0.000 0.208 94 L C 1.943 178.882 176.870 0.115 0.000 1.073 94 L CA 2.270 56.900 54.840 -0.350 0.000 0.745 94 L CB -1.331 40.169 42.059 -0.933 0.000 0.894 94 L HN -0.082 nan 8.230 nan 0.000 0.432 95 I N 0.962 121.591 120.570 0.098 0.000 2.127 95 I HA -0.256 3.915 4.170 0.002 0.000 0.241 95 I C 2.933 179.213 176.117 0.272 0.000 1.075 95 I CA 1.578 63.035 61.300 0.260 0.000 1.334 95 I CB -1.756 36.408 38.000 0.273 0.000 1.040 95 I HN 0.288 nan 8.210 nan 0.000 0.405 96 A N 0.722 123.702 122.820 0.266 0.000 1.972 96 A HA -0.248 4.073 4.320 0.002 0.000 0.219 96 A C 2.445 180.103 177.584 0.124 0.000 1.169 96 A CA 1.883 54.027 52.037 0.178 0.000 0.635 96 A CB -0.594 18.567 19.000 0.269 0.000 0.810 96 A HN 0.476 nan 8.150 nan 0.000 0.446 97 K N -1.066 119.450 120.400 0.194 0.000 2.026 97 K HA -0.239 4.081 4.320 0.002 0.000 0.208 97 K C 1.814 178.375 176.600 -0.064 0.000 1.048 97 K CA 1.915 58.254 56.287 0.086 0.000 0.929 97 K CB -0.332 32.311 32.500 0.239 0.000 0.713 97 K HN 0.587 nan 8.250 nan 0.000 0.439 98 H N 0.387 119.414 119.070 -0.072 0.000 2.428 98 H HA 0.017 4.574 4.556 0.001 0.000 0.296 98 H C 1.881 176.952 175.328 -0.429 0.000 1.062 98 H CA 1.471 57.336 56.048 -0.305 0.000 1.350 98 H CB 0.033 29.474 29.762 -0.535 0.000 1.403 98 H HN 0.101 nan 8.280 nan 0.000 0.533 99 L N -0.516 120.598 121.223 -0.182 0.000 1.989 99 L HA -0.189 4.152 4.340 0.002 0.000 0.211 99 L C 2.202 178.991 176.870 -0.134 0.000 1.071 99 L CA 1.028 55.774 54.840 -0.157 0.000 0.749 99 L CB -0.468 41.554 42.059 -0.062 0.000 0.890 99 L HN 0.185 nan 8.230 nan 0.000 0.431 100 V N -0.373 119.477 119.914 -0.106 0.000 2.407 100 V HA -0.273 3.848 4.120 0.002 0.000 0.248 100 V C 2.666 178.694 176.094 -0.111 0.000 1.055 100 V CA 1.624 63.867 62.300 -0.095 0.000 1.049 100 V CB -0.681 31.093 31.823 -0.082 0.000 0.662 100 V HN 0.430 nan 8.190 nan 0.000 0.455 101 R N -0.054 120.356 120.500 -0.150 0.000 2.073 101 R HA -0.111 4.230 4.340 0.002 0.000 0.234 101 R C 2.281 178.502 176.300 -0.131 0.000 1.134 101 R CA 1.844 57.851 56.100 -0.155 0.000 0.952 101 R CB -0.294 29.870 30.300 -0.228 0.000 0.850 101 R HN 0.451 nan 8.270 nan 0.000 0.433 102 I N 0.658 121.130 120.570 -0.163 0.000 2.361 102 I HA -0.222 3.949 4.170 0.002 0.000 0.251 102 I C 2.532 178.599 176.117 -0.085 0.000 1.133 102 I CA 1.110 62.333 61.300 -0.129 0.000 1.413 102 I CB -0.325 37.566 38.000 -0.181 0.000 1.073 102 I HN 0.262 nan 8.210 nan 0.000 0.424 103 A N 0.756 123.525 122.820 -0.085 0.000 1.902 103 A HA -0.209 4.112 4.320 0.002 0.000 0.217 103 A C 2.193 179.749 177.584 -0.048 0.000 1.181 103 A CA 1.627 53.628 52.037 -0.060 0.000 0.623 103 A CB -0.496 18.468 19.000 -0.060 0.000 0.818 103 A HN 0.472 nan 8.150 nan 0.000 0.443 104 E N -0.200 119.968 120.200 -0.053 0.000 2.107 104 E HA -0.162 4.189 4.350 0.002 0.000 0.191 104 E C 1.904 178.482 176.600 -0.035 0.000 0.982 104 E CA 1.177 57.553 56.400 -0.041 0.000 0.809 104 E CB -0.182 29.491 29.700 -0.045 0.000 0.756 104 E HN 0.733 nan 8.360 nan 0.000 0.459 105 E N 0.726 120.901 120.200 -0.041 0.000 2.107 105 E HA -0.129 4.222 4.350 0.002 0.000 0.191 105 E C 1.656 178.242 176.600 -0.023 0.000 0.982 105 E CA 0.667 57.048 56.400 -0.031 0.000 0.809 105 E CB 0.142 29.822 29.700 -0.034 0.000 0.756 105 E HN 0.151 nan 8.360 nan 0.000 0.459 106 E N -0.420 119.764 120.200 -0.026 0.000 2.478 106 E HA 0.037 4.388 4.350 0.002 0.000 0.194 106 E C 1.013 177.603 176.600 -0.017 0.000 1.045 106 E CA 0.536 56.925 56.400 -0.019 0.000 0.868 106 E CB 0.709 30.397 29.700 -0.020 0.000 0.885 106 E HN 0.348 nan 8.360 nan 0.000 0.505 107 G N 1.450 110.239 108.800 -0.019 0.000 2.176 107 G HA2 -0.279 3.682 3.960 0.002 0.000 0.252 107 G HA3 -0.279 3.682 3.960 0.002 0.000 0.252 107 G C 0.350 175.241 174.900 -0.015 0.000 1.024 107 G CA 0.312 45.403 45.100 -0.015 0.000 0.755 107 G HN 0.468 nan 8.290 nan 0.000 0.507 108 A N 0.016 122.823 122.820 -0.022 0.000 2.328 108 A HA 0.694 5.014 4.320 0.002 0.000 0.284 108 A C 1.184 178.752 177.584 -0.025 0.000 1.160 108 A CA 0.569 52.591 52.037 -0.025 0.000 0.818 108 A CB 0.453 19.434 19.000 -0.033 0.000 1.087 108 A HN 0.873 nan 8.150 nan 0.000 0.504 109 E N 2.100 122.287 120.200 -0.022 0.000 2.371 109 E HA 0.321 4.672 4.350 0.002 0.000 0.194 109 E C 0.555 177.140 176.600 -0.026 0.000 1.012 109 E CA 0.861 57.252 56.400 -0.015 0.000 0.860 109 E CB 0.123 29.821 29.700 -0.004 0.000 0.811 109 E HN 0.658 nan 8.360 nan 0.000 0.502 110 A N 1.346 124.135 122.820 -0.051 0.000 2.527 110 A HA 0.703 5.024 4.320 0.002 0.000 0.293 110 A C -0.706 176.823 177.584 -0.091 0.000 1.117 110 A CA -1.012 50.977 52.037 -0.079 0.000 0.723 110 A CB 1.256 20.179 19.000 -0.128 0.000 1.313 110 A HN 0.356 nan 8.150 nan 0.000 0.411 111 I N -2.779 117.727 120.570 -0.106 0.000 2.934 111 I HA 0.957 5.128 4.170 0.002 0.000 0.306 111 I C -0.377 175.662 176.117 -0.131 0.000 1.110 111 I CA -1.097 60.143 61.300 -0.101 0.000 1.019 111 I CB 2.221 40.167 38.000 -0.091 0.000 1.227 111 I HN 0.971 nan 8.210 nan 0.000 0.434 112 A N 2.268 125.017 122.820 -0.120 0.000 2.556 112 A HA 0.961 5.282 4.320 0.002 0.000 0.294 112 A C -1.401 176.095 177.584 -0.146 0.000 1.091 112 A CA -0.450 51.480 52.037 -0.178 0.000 0.704 112 A CB 1.424 20.341 19.000 -0.138 0.000 1.300 112 A HN 1.169 nan 8.150 nan 0.000 0.406 113 H N -2.314 116.673 119.070 -0.138 0.000 3.017 113 H HA 0.658 5.214 4.556 0.001 0.000 0.346 113 H C 0.061 175.373 175.328 -0.026 0.000 1.286 113 H CA -0.290 55.657 56.048 -0.169 0.000 1.120 113 H CB 1.238 30.753 29.762 -0.413 0.000 1.860 113 H HN 0.818 nan 8.280 nan 0.000 0.542 114 G N -0.138 108.822 108.800 0.266 0.000 3.707 114 G HA2 0.509 4.470 3.960 0.002 0.000 0.286 114 G HA3 0.509 4.470 3.960 0.002 0.000 0.286 114 G C 0.062 175.245 174.900 0.471 0.000 1.112 114 G CA 0.043 45.357 45.100 0.356 0.000 0.861 114 G HN 0.860 nan 8.290 nan 0.000 0.534 115 A N 0.779 123.939 122.820 0.568 0.000 2.371 115 A HA 0.646 4.967 4.320 0.002 0.000 0.257 115 A C 1.020 178.660 177.584 0.093 0.000 1.089 115 A CA 0.226 52.412 52.037 0.248 0.000 0.794 115 A CB 0.307 19.419 19.000 0.186 0.000 1.029 115 A HN 0.555 nan 8.150 nan 0.000 0.488 116 T N -0.819 113.592 114.554 -0.237 0.000 2.788 116 T HA 0.452 4.803 4.350 0.002 0.000 0.280 116 T C 1.218 175.875 174.700 -0.072 0.000 0.984 116 T CA 0.078 61.979 62.100 -0.333 0.000 0.972 116 T CB 1.093 69.624 68.868 -0.562 0.000 1.039 116 T HN 0.982 nan 8.240 nan 0.000 0.530 117 G N 0.227 109.013 108.800 -0.023 0.000 2.744 117 G HA2 0.018 3.979 3.960 0.002 0.000 0.211 117 G HA3 0.018 3.979 3.960 0.002 0.000 0.211 117 G C 1.143 176.033 174.900 -0.016 0.000 1.143 117 G CA -0.063 45.044 45.100 0.013 0.000 0.788 117 G HN 0.747 nan 8.290 nan 0.000 0.534 118 K N 0.602 120.971 120.400 -0.052 0.000 2.373 118 K HA 0.245 4.566 4.320 0.002 0.000 0.202 118 K C 0.842 177.414 176.600 -0.046 0.000 1.025 118 K CA -0.027 56.234 56.287 -0.043 0.000 1.115 118 K CB 0.485 32.961 32.500 -0.042 0.000 0.858 118 K HN 0.132 nan 8.250 nan 0.000 0.525 119 G N 0.697 109.458 108.800 -0.064 0.000 2.887 119 G HA2 0.215 4.176 3.960 0.002 0.000 0.277 119 G HA3 0.215 4.176 3.960 0.002 0.000 0.277 119 G C 0.084 174.944 174.900 -0.065 0.000 1.346 119 G CA -0.582 44.478 45.100 -0.066 0.000 1.058 119 G HN -0.025 nan 8.290 nan 0.000 0.535 120 N N -0.233 118.403 118.700 -0.106 0.000 2.387 120 N HA -0.049 4.692 4.740 0.002 0.000 0.176 120 N C 1.379 176.758 175.510 -0.219 0.000 1.022 120 N CA 0.474 53.433 53.050 -0.151 0.000 0.883 120 N CB 0.146 38.447 38.487 -0.311 0.000 1.019 120 N HN 0.413 nan 8.380 nan 0.000 0.435 121 D N 2.016 122.250 120.400 -0.277 0.000 2.158 121 D HA -0.203 4.438 4.640 0.002 0.000 0.197 121 D C 2.073 178.088 176.300 -0.476 0.000 0.995 121 D CA 1.008 54.723 54.000 -0.475 0.000 0.846 121 D CB -0.169 40.359 40.800 -0.453 0.000 0.941 121 D HN 0.584 nan 8.370 nan 0.000 0.456 122 Q N 0.539 120.210 119.800 -0.214 0.000 2.096 122 Q HA -0.122 4.219 4.340 0.002 0.000 0.204 122 Q C 2.199 178.161 176.000 -0.063 0.000 0.982 122 Q CA 1.424 57.167 55.803 -0.100 0.000 0.850 122 Q CB -0.521 28.259 28.738 0.070 0.000 0.901 122 Q HN 0.147 nan 8.270 nan 0.000 0.422 123 V N 1.309 121.182 119.914 -0.067 0.000 2.358 123 V HA -0.217 3.904 4.120 0.002 0.000 0.246 123 V C 2.426 178.466 176.094 -0.089 0.000 1.047 123 V CA 2.137 64.423 62.300 -0.023 0.000 1.035 123 V CB -0.666 31.195 31.823 0.063 0.000 0.658 123 V HN 0.328 nan 8.190 nan 0.000 0.452 124 R N -0.533 119.848 120.500 -0.198 0.000 2.081 124 R HA -0.104 4.237 4.340 0.002 0.000 0.235 124 R C 2.303 178.541 176.300 -0.104 0.000 1.131 124 R CA 1.866 57.834 56.100 -0.220 0.000 0.960 124 R CB -0.520 29.557 30.300 -0.372 0.000 0.856 124 R HN 0.454 nan 8.270 nan 0.000 0.436 125 F N 1.005 120.860 119.950 -0.160 0.000 2.075 125 F HA -0.196 4.332 4.527 0.001 0.000 0.297 125 F C 2.388 178.119 175.800 -0.114 0.000 1.113 125 F CA 1.103 59.004 58.000 -0.165 0.000 1.218 125 F CB -0.015 38.755 39.000 -0.383 0.000 0.984 125 F HN 0.103 nan 8.300 nan 0.000 0.472 126 E N 0.329 120.583 120.200 0.091 0.000 2.107 126 E HA -0.145 4.206 4.350 0.002 0.000 0.191 126 E C 2.254 178.855 176.600 0.001 0.000 0.982 126 E CA 0.761 57.131 56.400 -0.051 0.000 0.809 126 E CB -0.175 29.544 29.700 0.031 0.000 0.756 126 E HN 0.429 nan 8.360 nan 0.000 0.459 127 L N 1.195 122.464 121.223 0.076 0.000 2.083 127 L HA -0.179 4.161 4.340 0.002 0.000 0.209 127 L C 2.885 179.842 176.870 0.144 0.000 1.083 127 L CA 1.661 56.562 54.840 0.101 0.000 0.752 127 L CB -0.912 41.076 42.059 -0.119 0.000 0.899 127 L HN 0.347 nan 8.230 nan 0.000 0.433 128 T N -2.597 112.048 114.554 0.151 0.000 2.737 128 T HA -0.127 4.224 4.350 0.002 0.000 0.265 128 T C 1.974 176.759 174.700 0.141 0.000 1.038 128 T CA 0.926 63.181 62.100 0.257 0.000 1.144 128 T CB -0.450 68.630 68.868 0.355 0.000 0.866 128 T HN 0.301 nan 8.240 nan 0.000 0.434 129 A N 0.992 123.836 122.820 0.040 0.000 1.865 129 A HA -0.025 4.296 4.320 0.002 0.000 0.217 129 A C 2.250 179.826 177.584 -0.013 0.000 1.191 129 A CA 1.588 53.588 52.037 -0.061 0.000 0.623 129 A CB -1.430 17.442 19.000 -0.213 0.000 0.826 129 A HN 0.680 nan 8.150 nan 0.000 0.444 130 Y N -0.318 120.022 120.300 0.067 0.000 2.224 130 Y HA -0.167 4.384 4.550 0.001 0.000 0.289 130 Y C 2.920 178.853 175.900 0.056 0.000 1.146 130 Y CA 0.579 58.713 58.100 0.057 0.000 1.182 130 Y CB -0.200 38.298 38.460 0.064 0.000 0.983 130 Y HN 0.385 nan 8.280 nan 0.000 0.524 131 A N -0.088 122.870 122.820 0.230 0.000 1.969 131 A HA -0.111 4.210 4.320 0.002 0.000 0.218 131 A C 2.084 179.720 177.584 0.087 0.000 1.169 131 A CA 1.300 53.438 52.037 0.167 0.000 0.635 131 A CB -0.753 18.370 19.000 0.205 0.000 0.810 131 A HN 0.482 nan 8.150 nan 0.000 0.445 132 L N -2.021 119.222 121.223 0.034 0.000 2.249 132 L HA 0.143 4.484 4.340 0.002 0.000 0.207 132 L C 1.189 178.052 176.870 -0.013 0.000 1.090 132 L CA 0.815 55.627 54.840 -0.047 0.000 0.802 132 L CB 0.098 42.072 42.059 -0.141 0.000 0.947 132 L HN 0.274 nan 8.230 nan 0.000 0.453 133 K N 0.437 120.854 120.400 0.028 0.000 2.756 133 K HA 0.204 4.525 4.320 0.002 0.000 0.218 133 K C -2.078 174.584 176.600 0.104 0.000 1.057 133 K CA -1.322 54.987 56.287 0.038 0.000 1.056 133 K CB 1.595 34.099 32.500 0.007 0.000 1.235 133 K HN -0.275 nan 8.250 nan 0.000 0.547 134 P HA -0.166 nan 4.420 nan 0.000 0.218 134 P C -0.101 177.282 177.300 0.138 0.000 1.146 134 P CA 1.163 64.346 63.100 0.138 0.000 0.813 134 P CB 0.348 32.093 31.700 0.075 0.000 0.778 135 D N -0.806 119.654 120.400 0.099 0.000 2.339 135 D HA 0.078 4.719 4.640 0.002 0.000 0.217 135 D C 0.973 177.333 176.300 0.100 0.000 1.050 135 D CA -0.350 53.701 54.000 0.085 0.000 0.856 135 D CB -0.205 40.624 40.800 0.049 0.000 0.922 135 D HN 0.205 nan 8.370 nan 0.000 0.518 136 I N 1.322 121.963 120.570 0.118 0.000 2.813 136 I HA -0.055 4.116 4.170 0.002 0.000 0.287 136 I C 0.429 176.616 176.117 0.116 0.000 1.196 136 I CA -0.116 61.229 61.300 0.074 0.000 1.421 136 I CB 0.537 38.545 38.000 0.013 0.000 1.365 136 I HN -0.298 nan 8.210 nan 0.000 0.591 137 K N 6.252 126.682 120.400 0.050 0.000 2.185 137 K HA 0.556 4.877 4.320 0.002 0.000 0.269 137 K C -1.671 174.919 176.600 -0.018 0.000 0.987 137 K CA -0.676 55.644 56.287 0.055 0.000 0.865 137 K CB 1.101 33.613 32.500 0.021 0.000 1.090 137 K HN 0.484 nan 8.250 nan 0.000 0.450 138 V N 6.395 126.310 119.914 0.001 0.000 2.417 138 V HA 0.407 4.528 4.120 0.002 0.000 0.291 138 V C -0.270 175.780 176.094 -0.073 0.000 1.024 138 V CA -0.751 61.504 62.300 -0.074 0.000 0.861 138 V CB 1.356 33.111 31.823 -0.114 0.000 0.985 138 V HN 0.703 nan 8.190 nan 0.000 0.436 139 I N 4.205 124.679 120.570 -0.161 0.000 2.382 139 I HA 0.653 4.824 4.170 0.002 0.000 0.286 139 I C 0.224 176.169 176.117 -0.286 0.000 1.002 139 I CA -0.468 60.726 61.300 -0.176 0.000 1.135 139 I CB 1.766 39.601 38.000 -0.275 0.000 1.288 139 I HN 0.655 nan 8.210 nan 0.000 0.448 140 A N 8.036 130.695 122.820 -0.270 0.000 2.508 140 A HA 0.587 4.908 4.320 0.002 0.000 0.336 140 A C -2.004 175.328 177.584 -0.419 0.000 1.360 140 A CA -1.489 50.288 52.037 -0.432 0.000 0.841 140 A CB 0.290 19.132 19.000 -0.263 0.000 1.136 140 A HN 0.460 nan 8.150 nan 0.000 0.489 141 P HA -0.196 nan 4.420 nan 0.000 0.216 141 P C 0.856 177.085 177.300 -1.786 0.000 1.154 141 P CA 1.443 63.753 63.100 -1.317 0.000 0.865 141 P CB 0.030 30.751 31.700 -1.633 0.000 0.789 142 W N -0.176 120.316 121.300 -1.347 0.000 2.350 142 W HA -0.106 4.554 4.660 0.001 0.000 0.289 142 W C 2.273 178.466 176.519 -0.544 0.000 1.215 142 W CA 0.938 57.690 57.345 -0.987 0.000 1.236 142 W CB -0.547 28.664 29.460 -0.415 0.000 1.130 142 W HN -0.081 nan 8.180 nan 0.000 0.541 143 R N -0.164 120.215 120.500 -0.201 0.000 2.300 143 R HA 0.038 4.379 4.340 0.002 0.000 0.199 143 R C 1.213 177.470 176.300 -0.072 0.000 0.920 143 R CA 0.709 56.770 56.100 -0.065 0.000 1.046 143 R CB 0.035 30.328 30.300 -0.012 0.000 0.984 143 R HN 0.353 nan 8.270 nan 0.000 0.493 144 E N -0.310 119.776 120.200 -0.191 0.000 2.367 144 E HA 0.005 4.355 4.350 0.002 0.000 0.204 144 E C 0.034 176.693 176.600 0.099 0.000 0.840 144 E CA -0.227 56.166 56.400 -0.012 0.000 1.051 144 E CB 0.077 29.851 29.700 0.124 0.000 1.051 144 E HN 0.107 nan 8.360 nan 0.000 0.509 145 W N 1.866 123.040 121.300 -0.209 0.000 1.992 145 W HA 0.238 4.899 4.660 0.002 0.000 0.360 145 W C 0.730 177.138 176.519 -0.186 0.000 1.369 145 W CA -0.701 56.495 57.345 -0.249 0.000 1.403 145 W CB -0.300 28.633 29.460 -0.878 0.000 1.215 145 W HN -0.220 nan 8.180 nan 0.000 0.643 146 S N -0.440 115.277 115.700 0.028 0.000 2.568 146 S HA 0.268 4.739 4.470 0.002 0.000 0.232 146 S C 0.110 174.628 174.600 -0.136 0.000 0.975 146 S CA -0.640 57.544 58.200 -0.027 0.000 0.949 146 S CB -1.030 62.154 63.200 -0.028 0.000 0.829 146 S HN 0.339 nan 8.310 nan 0.000 0.479 147 F N 2.754 122.466 119.950 -0.398 0.000 2.623 147 F HA 0.053 4.581 4.527 0.001 0.000 0.383 147 F C 1.160 176.824 175.800 -0.227 0.000 1.077 147 F CA 0.083 57.769 58.000 -0.523 0.000 1.268 147 F CB 0.341 38.660 39.000 -1.135 0.000 1.053 147 F HN 0.184 nan 8.300 nan 0.000 0.571 148 Q N 3.227 123.075 119.800 0.080 0.000 2.644 148 Q HA 0.471 4.812 4.340 0.002 0.000 0.245 148 Q C 0.026 176.051 176.000 0.042 0.000 1.064 148 Q CA -0.466 55.378 55.803 0.068 0.000 0.860 148 Q CB 1.532 30.303 28.738 0.055 0.000 1.145 148 Q HN 0.917 nan 8.270 nan 0.000 0.515 149 G N 0.716 109.542 108.800 0.044 0.000 2.570 149 G HA2 -0.201 3.760 3.960 0.002 0.000 0.686 149 G HA3 -0.201 3.760 3.960 0.002 0.000 0.686 149 G C -0.257 174.616 174.900 -0.045 0.000 1.257 149 G CA -0.776 44.336 45.100 0.020 0.000 0.846 149 G HN 0.473 nan 8.290 nan 0.000 0.627 150 R N 0.571 121.055 120.500 -0.026 0.000 2.075 150 R HA 0.043 4.384 4.340 0.002 0.000 0.232 150 R C 2.604 178.845 176.300 -0.099 0.000 1.126 150 R CA 2.360 58.423 56.100 -0.061 0.000 0.963 150 R CB -0.483 29.806 30.300 -0.018 0.000 0.858 150 R HN 0.565 nan 8.270 nan 0.000 0.435 151 K N 0.414 120.777 120.400 -0.062 0.000 2.020 151 K HA -0.198 4.123 4.320 0.002 0.000 0.212 151 K C 1.982 178.537 176.600 -0.075 0.000 1.050 151 K CA 2.076 58.331 56.287 -0.053 0.000 0.929 151 K CB -0.456 32.029 32.500 -0.026 0.000 0.714 151 K HN 0.353 nan 8.250 nan 0.000 0.443 152 E N 0.318 120.466 120.200 -0.087 0.000 2.110 152 E HA -0.141 4.210 4.350 0.002 0.000 0.193 152 E C 1.929 178.381 176.600 -0.248 0.000 0.988 152 E CA 1.085 57.434 56.400 -0.086 0.000 0.804 152 E CB -0.014 29.676 29.700 -0.017 0.000 0.745 152 E HN 0.288 nan 8.360 nan 0.000 0.458 153 M N -0.124 119.186 119.600 -0.484 0.000 2.175 153 M HA -0.151 4.330 4.480 0.002 0.000 0.264 153 M C 2.034 178.132 176.300 -0.338 0.000 1.063 153 M CA 0.946 55.771 55.300 -0.790 0.000 1.119 153 M CB -0.068 32.060 32.600 -0.785 0.000 1.377 153 M HN 0.169 nan 8.290 nan 0.000 0.415 154 I N 0.370 120.829 120.570 -0.184 0.000 2.252 154 I HA -0.182 3.989 4.170 0.002 0.000 0.245 154 I C 2.615 178.716 176.117 -0.028 0.000 1.102 154 I CA 1.391 62.642 61.300 -0.083 0.000 1.385 154 I CB -0.695 37.270 38.000 -0.058 0.000 1.064 154 I HN 0.179 nan 8.210 nan 0.000 0.414 155 A N -0.634 122.178 122.820 -0.014 0.000 1.933 155 A HA -0.285 4.036 4.320 0.002 0.000 0.218 155 A C 2.388 180.030 177.584 0.097 0.000 1.175 155 A CA 1.684 53.741 52.037 0.034 0.000 0.628 155 A CB -1.145 17.879 19.000 0.041 0.000 0.814 155 A HN 0.520 nan 8.150 nan 0.000 0.444 156 Y N 0.566 120.858 120.300 -0.014 0.000 2.145 156 Y HA -0.072 4.478 4.550 0.001 0.000 0.286 156 Y C 2.642 178.624 175.900 0.137 0.000 1.145 156 Y CA 1.279 59.439 58.100 0.101 0.000 1.148 156 Y CB -0.498 37.994 38.460 0.054 0.000 0.981 156 Y HN 0.316 nan 8.280 nan 0.000 0.507 157 A N 0.438 123.334 122.820 0.127 0.000 1.865 157 A HA -0.234 4.087 4.320 0.002 0.000 0.217 157 A C 2.083 179.686 177.584 0.031 0.000 1.191 157 A CA 2.052 54.124 52.037 0.058 0.000 0.623 157 A CB -0.877 18.145 19.000 0.037 0.000 0.826 157 A HN 0.629 nan 8.150 nan 0.000 0.444 158 E N -0.349 119.862 120.200 0.019 0.000 2.118 158 E HA -0.150 4.200 4.350 0.002 0.000 0.195 158 E C 2.224 178.814 176.600 -0.017 0.000 0.992 158 E CA 0.979 57.380 56.400 0.003 0.000 0.804 158 E CB -0.305 29.394 29.700 -0.002 0.000 0.741 158 E HN 0.627 nan 8.360 nan 0.000 0.458 159 A N 0.701 123.506 122.820 -0.026 0.000 2.015 159 A HA -0.158 4.162 4.320 0.002 0.000 0.219 159 A C 1.238 178.697 177.584 -0.208 0.000 1.163 159 A CA 1.323 53.298 52.037 -0.103 0.000 0.646 159 A CB -0.461 18.477 19.000 -0.104 0.000 0.806 159 A HN 0.221 nan 8.150 nan 0.000 0.448 160 H N -1.749 117.206 119.070 -0.191 0.000 2.517 160 H HA 0.369 4.926 4.556 0.002 0.000 0.282 160 H C 1.533 176.808 175.328 -0.089 0.000 1.023 160 H CA 0.487 56.430 56.048 -0.176 0.000 1.169 160 H CB 0.233 29.830 29.762 -0.276 0.000 1.454 160 H HN 0.547 nan 8.280 nan 0.000 0.556 161 G N 0.723 109.531 108.800 0.012 0.000 2.212 161 G HA2 -0.320 3.641 3.960 0.002 0.000 0.266 161 G HA3 -0.320 3.641 3.960 0.002 0.000 0.266 161 G C 0.370 175.289 174.900 0.030 0.000 0.978 161 G CA 0.186 45.293 45.100 0.012 0.000 0.632 161 G HN 0.378 nan 8.290 nan 0.000 0.537 162 I N 3.792 124.391 120.570 0.049 0.000 2.587 162 I HA 0.186 4.357 4.170 0.002 0.000 0.284 162 I C -1.179 174.960 176.117 0.035 0.000 1.134 162 I CA -1.596 59.736 61.300 0.053 0.000 1.410 162 I CB 0.624 38.666 38.000 0.070 0.000 1.392 162 I HN -0.009 nan 8.210 nan 0.000 0.545 163 P HA 0.071 nan 4.420 nan 0.000 0.268 163 P C -0.719 176.589 177.300 0.014 0.000 1.205 163 P CA -0.040 63.071 63.100 0.019 0.000 0.771 163 P CB 0.890 32.602 31.700 0.019 0.000 0.858 164 V N 0.910 120.826 119.914 0.005 0.000 2.715 164 V HA 0.581 4.702 4.120 0.002 0.000 0.310 164 V C -1.894 174.195 176.094 -0.008 0.000 1.054 164 V CA -2.192 60.107 62.300 -0.002 0.000 0.928 164 V CB -0.136 31.683 31.823 -0.007 0.000 1.007 164 V HN 0.405 nan 8.190 nan 0.000 0.437 172 Y N -3.298 116.981 120.300 -0.035 0.000 2.732 172 Y HA 0.668 5.219 4.550 0.001 0.000 0.342 172 Y C -0.859 175.016 175.900 -0.042 0.000 1.203 172 Y CA -1.439 56.638 58.100 -0.038 0.000 1.092 172 Y CB 0.208 38.649 38.460 -0.032 0.000 1.345 172 Y HN -0.179 nan 8.280 nan 0.000 0.458 173 S N 1.915 117.712 115.700 0.162 0.000 2.508 173 S HA 0.802 5.273 4.470 0.002 0.000 0.284 173 S C -0.876 173.742 174.600 0.029 0.000 1.192 173 S CA -0.506 57.725 58.200 0.051 0.000 1.070 173 S CB 0.177 63.368 63.200 -0.015 0.000 1.004 173 S HN 0.626 nan 8.310 nan 0.000 0.493 174 M N 3.343 122.918 119.600 -0.042 0.000 2.535 174 M HA 0.444 4.925 4.480 0.002 0.000 0.314 174 M C -1.478 174.709 176.300 -0.188 0.000 1.153 174 M CA -0.746 54.427 55.300 -0.212 0.000 0.924 174 M CB 2.110 34.571 32.600 -0.231 0.000 1.710 174 M HN 0.608 nan 8.290 nan 0.000 0.451 175 D N 1.778 122.033 120.400 -0.242 0.000 2.686 175 D HA 0.677 5.318 4.640 0.002 0.000 0.249 175 D C -1.757 174.473 176.300 -0.118 0.000 1.260 175 D CA -0.123 53.806 54.000 -0.119 0.000 0.910 175 D CB 1.516 42.303 40.800 -0.021 0.000 1.323 175 D HN 0.695 nan 8.370 nan 0.000 0.561 176 A N 3.475 126.250 122.820 -0.075 0.000 2.355 176 A HA 0.822 5.143 4.320 0.002 0.000 0.317 176 A C -0.581 177.009 177.584 0.011 0.000 1.094 176 A CA -0.692 51.331 52.037 -0.023 0.000 0.764 176 A CB 1.035 20.004 19.000 -0.052 0.000 1.230 176 A HN 0.711 nan 8.150 nan 0.000 0.448 177 N N 0.073 118.824 118.700 0.085 0.000 3.243 177 N HA 0.261 5.002 4.740 0.002 0.000 0.280 177 N C 0.020 175.608 175.510 0.130 0.000 1.545 177 N CA -0.865 52.199 53.050 0.024 0.000 0.854 177 N CB 0.243 38.662 38.487 -0.113 0.000 1.612 177 N HN 0.268 nan 8.380 nan 0.000 0.577 178 L N -0.396 120.927 121.223 0.167 0.000 2.261 178 L HA -0.007 4.334 4.340 0.002 0.000 0.216 178 L C 1.573 178.579 176.870 0.226 0.000 1.114 178 L CA 1.088 56.057 54.840 0.215 0.000 0.777 178 L CB -0.273 41.941 42.059 0.260 0.000 0.910 178 L HN 0.577 nan 8.230 nan 0.000 0.440 179 L N -1.538 119.854 121.223 0.282 0.000 2.253 179 L HA 0.013 4.354 4.340 0.002 0.000 0.205 179 L C 0.839 177.856 176.870 0.245 0.000 1.078 179 L CA 0.317 55.265 54.840 0.179 0.000 0.805 179 L CB 0.176 42.285 42.059 0.084 0.000 0.963 179 L HN 0.460 nan 8.230 nan 0.000 0.459 180 H N -2.165 116.996 119.070 0.152 0.000 2.888 180 H HA 0.431 4.988 4.556 0.002 0.000 0.267 180 H C -1.456 173.955 175.328 0.138 0.000 1.482 180 H CA -1.376 54.773 56.048 0.169 0.000 1.165 180 H CB 0.751 30.647 29.762 0.223 0.000 1.866 180 H HN -0.099 nan 8.280 nan 0.000 0.599 181 I N 1.467 121.966 120.570 -0.119 0.000 2.534 181 I HA 0.346 4.517 4.170 0.002 0.000 0.288 181 I C -0.368 175.354 176.117 -0.659 0.000 1.077 181 I CA -0.751 60.334 61.300 -0.358 0.000 1.051 181 I CB 2.034 39.936 38.000 -0.163 0.000 1.234 181 I HN 0.655 nan 8.210 nan 0.000 0.425 182 S N 5.939 121.167 115.700 -0.787 0.000 2.509 182 S HA 0.713 5.184 4.470 0.002 0.000 0.297 182 S C -1.434 172.720 174.600 -0.743 0.000 1.118 182 S CA -0.236 57.625 58.200 -0.566 0.000 1.074 182 S CB 0.886 64.006 63.200 -0.132 0.000 1.038 182 S HN 0.370 nan 8.310 nan 0.000 0.498 183 Y N 1.855 121.875 120.300 -0.466 0.000 2.373 183 Y HA 0.573 5.124 4.550 0.002 0.000 0.336 183 Y C 0.073 175.745 175.900 -0.379 0.000 0.979 183 Y CA -0.722 57.137 58.100 -0.402 0.000 1.080 183 Y CB 1.750 39.849 38.460 -0.601 0.000 1.190 183 Y HN 0.881 nan 8.280 nan 0.000 0.446 184 E N 0.965 121.115 120.200 -0.083 0.000 2.423 184 E HA 0.718 5.069 4.350 0.002 0.000 0.280 184 E C -0.393 176.210 176.600 0.005 0.000 1.030 184 E CA -1.094 55.261 56.400 -0.075 0.000 0.812 184 E CB 2.154 31.797 29.700 -0.096 0.000 1.313 184 E HN 0.988 nan 8.360 nan 0.000 0.456 185 G N -0.338 108.462 108.800 0.001 0.000 2.756 185 G HA2 0.279 4.240 3.960 0.002 0.000 0.678 185 G HA3 0.279 4.240 3.960 0.002 0.000 0.678 185 G C 0.677 175.607 174.900 0.051 0.000 1.349 185 G CA 0.267 45.378 45.100 0.018 0.000 0.847 185 G HN 1.862 nan 8.290 nan 0.000 0.548 186 G N -1.568 107.251 108.800 0.033 0.000 2.611 186 G HA2 -0.090 3.871 3.960 0.002 0.000 0.301 186 G HA3 -0.090 3.871 3.960 0.002 0.000 0.301 186 G C 1.449 176.374 174.900 0.041 0.000 1.233 186 G CA 2.048 47.170 45.100 0.037 0.000 0.993 186 G HN 2.089 nan 8.290 nan 0.000 0.553 187 V N 0.585 120.535 119.914 0.061 0.000 2.688 187 V HA -0.100 4.021 4.120 0.002 0.000 0.256 187 V C 2.804 178.907 176.094 0.016 0.000 1.084 187 V CA 2.104 64.429 62.300 0.041 0.000 1.103 187 V CB -0.383 31.472 31.823 0.054 0.000 0.688 187 V HN 0.481 nan 8.190 nan 0.000 0.480 188 L N -0.293 120.937 121.223 0.012 0.000 2.552 188 L HA 0.004 4.345 4.340 0.002 0.000 0.227 188 L C 2.178 179.037 176.870 -0.019 0.000 1.146 188 L CA 1.244 56.060 54.840 -0.040 0.000 0.858 188 L CB -0.984 41.026 42.059 -0.083 0.000 0.969 188 L HN 0.431 nan 8.230 nan 0.000 0.451 189 E N -0.926 119.276 120.200 0.004 0.000 2.409 189 E HA -0.136 4.215 4.350 0.002 0.000 0.198 189 E C 0.249 176.863 176.600 0.025 0.000 1.024 189 E CA 0.218 56.626 56.400 0.012 0.000 0.861 189 E CB 0.072 29.780 29.700 0.015 0.000 0.788 189 E HN 0.294 nan 8.360 nan 0.000 0.521 190 D N 0.779 121.197 120.400 0.030 0.000 2.396 190 D HA 0.039 4.679 4.640 0.002 0.000 0.225 190 D C -1.581 174.763 176.300 0.072 0.000 1.121 190 D CA -2.613 51.423 54.000 0.060 0.000 0.853 190 D CB 1.183 42.025 40.800 0.070 0.000 1.043 190 D HN -0.134 nan 8.370 nan 0.000 0.500 191 P HA -0.086 nan 4.420 nan 0.000 0.228 191 P C 0.995 178.399 177.300 0.175 0.000 1.151 191 P CA 0.488 63.649 63.100 0.101 0.000 0.770 191 P CB 0.054 31.815 31.700 0.101 0.000 0.786 192 W N 0.661 121.949 121.300 -0.020 0.000 3.114 192 W HA 0.399 5.059 4.660 0.002 0.000 0.279 192 W C -0.431 176.075 176.519 -0.023 0.000 1.277 192 W CA -0.022 57.312 57.345 -0.019 0.000 1.630 192 W CB 0.559 30.011 29.460 -0.013 0.000 1.087 192 W HN -0.181 nan 8.180 nan 0.000 0.637 193 A N 2.045 124.860 122.820 -0.009 0.000 2.260 193 A HA 0.238 4.559 4.320 0.002 0.000 0.308 193 A C -0.173 177.327 177.584 -0.140 0.000 1.254 193 A CA -0.388 51.592 52.037 -0.095 0.000 0.874 193 A CB 0.427 19.418 19.000 -0.015 0.000 1.153 193 A HN 0.363 nan 8.150 nan 0.000 0.527 194 E N 3.287 123.376 120.200 -0.186 0.000 2.415 194 E HA 0.246 4.597 4.350 0.002 0.000 0.262 194 E C -2.106 174.411 176.600 -0.139 0.000 1.038 194 E CA -1.234 55.068 56.400 -0.164 0.000 0.921 194 E CB 0.303 29.905 29.700 -0.163 0.000 0.950 194 E HN 0.423 nan 8.360 nan 0.000 0.438 195 P HA 0.066 nan 4.420 nan 0.000 0.268 195 P C -2.416 174.773 177.300 -0.186 0.000 1.208 195 P CA -0.739 62.228 63.100 -0.223 0.000 0.777 195 P CB 0.020 31.516 31.700 -0.341 0.000 0.875 196 P HA 0.079 nan 4.420 nan 0.000 0.271 196 P C -0.574 176.652 177.300 -0.123 0.000 1.218 196 P CA -0.047 62.985 63.100 -0.114 0.000 0.780 196 P CB 0.707 32.378 31.700 -0.049 0.000 0.901 197 K N 0.744 121.104 120.400 -0.067 0.000 2.414 197 K HA 0.242 4.563 4.320 0.002 0.000 0.272 197 K C 1.348 177.922 176.600 -0.042 0.000 0.993 197 K CA 0.769 57.029 56.287 -0.044 0.000 0.964 197 K CB -0.423 32.061 32.500 -0.026 0.000 0.925 197 K HN 0.827 nan 8.250 nan 0.000 0.487 198 G N 2.019 110.806 108.800 -0.022 0.000 2.189 198 G HA2 -0.361 3.600 3.960 0.002 0.000 0.267 198 G HA3 -0.361 3.600 3.960 0.002 0.000 0.267 198 G C 0.730 175.598 174.900 -0.053 0.000 0.975 198 G CA 0.725 45.819 45.100 -0.011 0.000 0.644 198 G HN 0.717 nan 8.290 nan 0.000 0.537 199 M N -0.577 118.906 119.600 -0.196 0.000 2.086 199 M HA 0.216 4.697 4.480 0.002 0.000 0.261 199 M C 1.139 177.127 176.300 -0.520 0.000 1.067 199 M CA 1.068 56.105 55.300 -0.438 0.000 1.116 199 M CB -0.075 31.986 32.600 -0.899 0.000 1.348 199 M HN 0.172 nan 8.290 nan 0.000 0.407 200 F N 0.415 120.155 119.950 -0.349 0.000 2.563 200 F HA 0.012 4.540 4.527 0.001 0.000 0.363 200 F C 1.505 177.285 175.800 -0.032 0.000 1.123 200 F CA 0.467 58.321 58.000 -0.244 0.000 1.307 200 F CB 0.388 39.275 39.000 -0.189 0.000 1.115 200 F HN 0.078 nan 8.300 nan 0.000 0.592 201 R N 1.419 122.089 120.500 0.283 0.000 2.320 201 R HA 0.157 4.498 4.340 0.002 0.000 0.193 201 R C 1.717 178.116 176.300 0.165 0.000 0.885 201 R CA 0.099 56.318 56.100 0.198 0.000 1.085 201 R CB -0.019 30.401 30.300 0.199 0.000 1.253 201 R HN 0.685 nan 8.270 nan 0.000 0.636 202 M N 1.575 121.295 119.600 0.201 0.000 2.419 202 M HA 0.026 4.507 4.480 0.002 0.000 0.264 202 M C -0.165 176.198 176.300 0.104 0.000 1.082 202 M CA 1.014 56.401 55.300 0.145 0.000 1.119 202 M CB 0.493 33.192 32.600 0.165 0.000 1.398 202 M HN 0.058 nan 8.290 nan 0.000 0.453 203 T N -1.814 112.797 114.554 0.095 0.000 2.893 203 T HA 0.371 4.722 4.350 0.002 0.000 0.291 203 T C -0.800 173.886 174.700 -0.023 0.000 1.028 203 T CA -0.929 61.174 62.100 0.005 0.000 0.995 203 T CB 2.128 70.948 68.868 -0.080 0.000 1.051 203 T HN 0.302 nan 8.240 nan 0.000 0.470 204 Q N 1.180 120.949 119.800 -0.052 0.000 2.293 204 Q HA 0.221 4.562 4.340 0.002 0.000 0.251 204 Q C -0.614 175.324 176.000 -0.103 0.000 0.930 204 Q CA -0.634 55.133 55.803 -0.060 0.000 0.893 204 Q CB 0.571 29.265 28.738 -0.073 0.000 1.215 204 Q HN 0.613 nan 8.270 nan 0.000 0.425 205 D N 4.944 125.294 120.400 -0.083 0.000 2.488 205 D HA -0.022 4.619 4.640 0.002 0.000 0.238 205 D C -1.744 174.485 176.300 -0.118 0.000 1.138 205 D CA -1.224 52.712 54.000 -0.107 0.000 0.873 205 D CB 0.996 41.761 40.800 -0.058 0.000 1.183 205 D HN 0.446 nan 8.370 nan 0.000 0.458 206 P HA -0.145 nan 4.420 nan 0.000 0.217 206 P C 0.825 178.047 177.300 -0.130 0.000 1.148 206 P CA 1.148 64.162 63.100 -0.144 0.000 0.828 206 P CB 0.346 31.957 31.700 -0.149 0.000 0.783 207 E N -0.573 119.567 120.200 -0.099 0.000 2.265 207 E HA -0.161 4.190 4.350 0.002 0.000 0.196 207 E C 1.451 178.009 176.600 -0.070 0.000 0.996 207 E CA 0.958 57.312 56.400 -0.077 0.000 0.832 207 E CB -0.501 29.166 29.700 -0.056 0.000 0.756 207 E HN 0.358 nan 8.360 nan 0.000 0.491 208 E N -0.357 119.799 120.200 -0.074 0.000 2.498 208 E HA 0.238 4.589 4.350 0.002 0.000 0.203 208 E C 0.214 176.764 176.600 -0.083 0.000 1.013 208 E CA 0.073 56.434 56.400 -0.064 0.000 0.927 208 E CB 0.416 30.085 29.700 -0.051 0.000 1.012 208 E HN 0.149 nan 8.360 nan 0.000 0.482 209 A N 2.911 125.664 122.820 -0.111 0.000 2.425 209 A HA 0.327 4.648 4.320 0.002 0.000 0.242 209 A C -2.229 175.287 177.584 -0.114 0.000 1.077 209 A CA -1.012 50.941 52.037 -0.141 0.000 0.781 209 A CB -0.332 18.578 19.000 -0.151 0.000 1.020 209 A HN -0.143 nan 8.150 nan 0.000 0.494 210 P HA -0.018 nan 4.420 nan 0.000 0.264 210 P C -0.112 177.232 177.300 0.072 0.000 1.179 210 P CA 0.218 63.306 63.100 -0.021 0.000 0.763 210 P CB 0.445 32.129 31.700 -0.027 0.000 0.806 211 D N 0.945 121.410 120.400 0.107 0.000 2.317 211 D HA 0.004 4.645 4.640 0.002 0.000 0.211 211 D C 0.641 177.126 176.300 0.309 0.000 0.966 211 D CA 0.714 54.833 54.000 0.199 0.000 0.876 211 D CB 0.127 41.002 40.800 0.126 0.000 0.927 211 D HN 0.341 nan 8.370 nan 0.000 0.519 212 A N 2.496 125.453 122.820 0.229 0.000 2.260 212 A HA 0.438 4.759 4.320 0.002 0.000 0.308 212 A C -2.223 175.519 177.584 0.264 0.000 1.254 212 A CA -1.221 50.935 52.037 0.197 0.000 0.874 212 A CB 0.706 19.787 19.000 0.136 0.000 1.153 212 A HN -0.109 nan 8.150 nan 0.000 0.527 213 P HA 0.166 nan 4.420 nan 0.000 0.272 213 P C -0.612 176.662 177.300 -0.044 0.000 1.230 213 P CA -0.055 63.089 63.100 0.074 0.000 0.788 213 P CB 0.933 32.529 31.700 -0.175 0.000 0.949 214 E N 1.036 121.101 120.200 -0.226 0.000 2.210 214 E HA 0.305 4.656 4.350 0.002 0.000 0.266 214 E C -1.205 175.252 176.600 -0.240 0.000 0.883 214 E CA -0.727 55.592 56.400 -0.136 0.000 0.761 214 E CB 0.888 30.555 29.700 -0.055 0.000 1.156 214 E HN 0.304 nan 8.360 nan 0.000 0.412 215 Y N 1.945 122.242 120.300 -0.005 0.000 2.308 215 Y HA 0.415 4.966 4.550 0.001 0.000 0.329 215 Y C -0.139 175.770 175.900 0.016 0.000 1.111 215 Y CA -0.392 57.710 58.100 0.003 0.000 1.179 215 Y CB 1.570 40.034 38.460 0.007 0.000 1.201 215 Y HN 0.198 nan 8.280 nan 0.000 0.483 216 V N 3.121 123.125 119.914 0.149 0.000 2.760 216 V HA 0.369 4.490 4.120 0.002 0.000 0.309 216 V C -0.750 175.414 176.094 0.116 0.000 1.077 216 V CA -1.284 61.083 62.300 0.112 0.000 0.910 216 V CB 1.987 33.855 31.823 0.076 0.000 1.008 216 V HN 0.698 nan 8.190 nan 0.000 0.424 217 E N 2.390 122.650 120.200 0.100 0.000 2.183 217 E HA 0.718 5.069 4.350 0.002 0.000 0.271 217 E C -1.514 175.136 176.600 0.084 0.000 0.919 217 E CA -0.667 55.790 56.400 0.094 0.000 0.781 217 E CB 2.722 32.469 29.700 0.078 0.000 1.140 217 E HN 0.442 nan 8.360 nan 0.000 0.402 218 V N 2.674 122.653 119.914 0.109 0.000 2.483 218 V HA 0.211 4.332 4.120 0.002 0.000 0.297 218 V C -0.275 175.902 176.094 0.138 0.000 1.027 218 V CA -0.769 61.585 62.300 0.090 0.000 0.855 218 V CB 1.681 33.578 31.823 0.123 0.000 0.995 218 V HN 0.660 nan 8.190 nan 0.000 0.424 219 E N 3.494 123.723 120.200 0.047 0.000 2.197 219 E HA 0.525 4.876 4.350 0.002 0.000 0.281 219 E C -1.705 174.905 176.600 0.016 0.000 0.995 219 E CA -0.469 55.987 56.400 0.094 0.000 0.808 219 E CB 1.059 30.790 29.700 0.052 0.000 1.093 219 E HN 0.485 nan 8.360 nan 0.000 0.394 220 F N 3.717 123.675 119.950 0.013 0.000 2.469 220 F HA 0.438 4.966 4.527 0.002 0.000 0.332 220 F C -0.514 175.335 175.800 0.082 0.000 1.103 220 F CA -0.769 57.228 58.000 -0.005 0.000 0.979 220 F CB 1.274 40.232 39.000 -0.070 0.000 1.137 220 F HN 0.365 nan 8.300 nan 0.000 0.463 221 F N 2.925 122.904 119.950 0.047 0.000 2.536 221 F HA 0.379 4.907 4.527 0.001 0.000 0.322 221 F C 0.095 175.906 175.800 0.019 0.000 1.144 221 F CA -1.516 56.500 58.000 0.026 0.000 0.924 221 F CB 0.963 39.961 39.000 -0.003 0.000 1.181 221 F HN 0.773 nan 8.300 nan 0.000 0.438 222 E N 3.527 123.405 120.200 -0.537 0.000 2.791 222 E HA -0.232 4.119 4.350 0.002 0.000 0.271 222 E C 1.080 177.579 176.600 -0.169 0.000 1.044 222 E CA 0.796 56.938 56.400 -0.429 0.000 0.814 222 E CB -1.592 27.733 29.700 -0.625 0.000 1.400 222 E HN 1.411 nan 8.360 nan 0.000 0.423 223 G N -0.516 108.246 108.800 -0.063 0.000 2.234 223 G HA2 -0.244 3.717 3.960 0.002 0.000 0.235 223 G HA3 -0.244 3.717 3.960 0.002 0.000 0.235 223 G C -0.238 174.687 174.900 0.041 0.000 0.997 223 G CA 0.244 45.334 45.100 -0.017 0.000 0.623 223 G HN 0.304 nan 8.290 nan 0.000 0.514 224 D N 1.725 122.100 120.400 -0.041 0.000 2.350 224 D HA 0.505 5.146 4.640 0.002 0.000 0.245 224 D C -2.617 173.367 176.300 -0.528 0.000 1.036 224 D CA -1.301 52.478 54.000 -0.368 0.000 0.848 224 D CB 2.434 43.042 40.800 -0.320 0.000 1.307 224 D HN 0.137 nan 8.370 nan 0.000 0.469 225 P HA 0.018 nan 4.420 nan 0.000 0.276 225 P C 0.627 177.698 177.300 -0.382 0.000 1.243 225 P CA -0.253 62.235 63.100 -1.021 0.000 0.768 225 P CB 1.273 32.361 31.700 -1.020 0.000 0.856 226 V N 0.127 119.904 119.914 -0.230 0.000 3.548 226 V HA 0.687 4.807 4.120 0.002 0.000 0.279 226 V C 0.364 176.431 176.094 -0.045 0.000 1.446 226 V CA 0.252 62.515 62.300 -0.061 0.000 1.023 226 V CB -0.047 31.769 31.823 -0.012 0.000 0.820 226 V HN 0.625 nan 8.190 nan 0.000 0.438 227 A N -0.288 122.491 122.820 -0.067 0.000 2.594 227 A HA 0.830 5.151 4.320 0.002 0.000 0.295 227 A C -1.365 176.205 177.584 -0.024 0.000 1.071 227 A CA -0.428 51.592 52.037 -0.029 0.000 0.685 227 A CB 2.235 21.226 19.000 -0.015 0.000 1.285 227 A HN 0.503 nan 8.150 nan 0.000 0.405 228 V N 2.574 122.490 119.914 0.002 0.000 2.483 228 V HA 0.393 4.514 4.120 0.002 0.000 0.297 228 V C -0.158 175.955 176.094 0.031 0.000 1.027 228 V CA -0.702 61.609 62.300 0.020 0.000 0.855 228 V CB 1.430 33.269 31.823 0.027 0.000 0.995 228 V HN 0.973 nan 8.190 nan 0.000 0.424 229 N N 3.988 122.713 118.700 0.041 0.000 2.727 229 N HA -0.223 4.518 4.740 0.002 0.000 0.249 229 N C 1.222 176.750 175.510 0.031 0.000 1.048 229 N CA 1.552 54.628 53.050 0.043 0.000 0.714 229 N CB -1.006 37.511 38.487 0.049 0.000 0.959 229 N HN 1.565 nan 8.380 nan 0.000 0.544 230 G N -0.597 108.218 108.800 0.025 0.000 2.184 230 G HA2 -0.366 3.595 3.960 0.002 0.000 0.264 230 G HA3 -0.366 3.595 3.960 0.002 0.000 0.264 230 G C -0.165 174.741 174.900 0.011 0.000 0.975 230 G CA 0.748 45.858 45.100 0.017 0.000 0.642 230 G HN 0.699 nan 8.290 nan 0.000 0.536 231 E N 1.059 121.267 120.200 0.013 0.000 2.146 231 E HA 0.461 4.812 4.350 0.002 0.000 0.282 231 E C 0.510 177.113 176.600 0.005 0.000 0.989 231 E CA -1.015 55.391 56.400 0.010 0.000 0.799 231 E CB 0.421 30.130 29.700 0.016 0.000 1.088 231 E HN 0.188 nan 8.360 nan 0.000 0.397 232 R N 4.248 124.747 120.500 -0.002 0.000 2.442 232 R HA 0.296 4.637 4.340 0.002 0.000 0.291 232 R C -0.377 175.926 176.300 0.004 0.000 1.069 232 R CA 0.041 56.137 56.100 -0.006 0.000 1.022 232 R CB 0.043 30.333 30.300 -0.016 0.000 0.976 232 R HN 0.535 nan 8.270 nan 0.000 0.443 233 L N 1.040 122.270 121.223 0.011 0.000 2.422 233 L HA 0.291 4.632 4.340 0.002 0.000 0.264 233 L C 0.453 177.344 176.870 0.035 0.000 0.984 233 L CA -0.904 53.949 54.840 0.022 0.000 0.819 233 L CB 2.237 44.312 42.059 0.027 0.000 1.330 233 L HN 0.674 nan 8.230 nan 0.000 0.410 234 S N 1.090 116.807 115.700 0.029 0.000 2.589 234 S HA 0.270 4.741 4.470 0.002 0.000 0.265 234 S C -1.980 172.635 174.600 0.025 0.000 1.342 234 S CA -0.818 57.399 58.200 0.028 0.000 1.005 234 S CB 0.866 64.073 63.200 0.012 0.000 0.909 234 S HN 0.434 nan 8.310 nan 0.000 0.555 235 P HA -0.208 nan 4.420 nan 0.000 0.216 235 P C 1.681 178.892 177.300 -0.148 0.000 1.167 235 P CA 2.445 65.435 63.100 -0.185 0.000 0.914 235 P CB -0.310 31.047 31.700 -0.571 0.000 0.793 236 A N -0.651 122.098 122.820 -0.119 0.000 1.902 236 A HA -0.103 4.217 4.320 0.002 0.000 0.217 236 A C 2.314 179.899 177.584 0.002 0.000 1.181 236 A CA 2.140 54.148 52.037 -0.048 0.000 0.623 236 A CB -1.620 17.373 19.000 -0.012 0.000 0.818 236 A HN 0.210 nan 8.150 nan 0.000 0.443 237 A N -0.551 122.274 122.820 0.009 0.000 1.969 237 A HA 0.007 4.328 4.320 0.002 0.000 0.218 237 A C 2.186 179.792 177.584 0.036 0.000 1.169 237 A CA 1.423 53.475 52.037 0.025 0.000 0.635 237 A CB -0.530 18.484 19.000 0.023 0.000 0.810 237 A HN 0.585 nan 8.150 nan 0.000 0.445 238 L N -0.823 120.427 121.223 0.045 0.000 2.027 238 L HA -0.068 4.273 4.340 0.002 0.000 0.206 238 L C 2.418 179.331 176.870 0.071 0.000 1.074 238 L CA 1.221 56.098 54.840 0.062 0.000 0.745 238 L CB -0.170 41.945 42.059 0.094 0.000 0.898 238 L HN 0.441 nan 8.230 nan 0.000 0.433 239 L N -0.437 120.832 121.223 0.077 0.000 2.046 239 L HA -0.264 4.077 4.340 0.002 0.000 0.208 239 L C 2.639 179.552 176.870 0.072 0.000 1.077 239 L CA 1.667 56.556 54.840 0.081 0.000 0.747 239 L CB -0.269 41.825 42.059 0.058 0.000 0.896 239 L HN 0.465 nan 8.230 nan 0.000 0.432 240 Q N 0.406 120.242 119.800 0.061 0.000 2.061 240 Q HA -0.290 4.051 4.340 0.002 0.000 0.204 240 Q C 2.142 178.178 176.000 0.060 0.000 0.984 240 Q CA 2.065 57.904 55.803 0.060 0.000 0.846 240 Q CB -0.263 28.504 28.738 0.049 0.000 0.902 240 Q HN 0.222 nan 8.270 nan 0.000 0.421 241 R N -0.046 120.488 120.500 0.056 0.000 2.083 241 R HA -0.058 4.283 4.340 0.002 0.000 0.237 241 R C 2.130 178.469 176.300 0.066 0.000 1.137 241 R CA 1.849 57.982 56.100 0.056 0.000 0.951 241 R CB -0.817 29.512 30.300 0.049 0.000 0.851 241 R HN 0.470 nan 8.270 nan 0.000 0.434 242 L N 0.514 121.780 121.223 0.070 0.000 2.201 242 L HA -0.109 4.231 4.340 0.002 0.000 0.212 242 L C 1.686 178.608 176.870 0.088 0.000 1.105 242 L CA 0.904 55.792 54.840 0.080 0.000 0.775 242 L CB -0.523 41.584 42.059 0.081 0.000 0.913 242 L HN 0.258 nan 8.230 nan 0.000 0.440 243 N N 0.249 119.000 118.700 0.085 0.000 2.171 243 N HA -0.147 4.593 4.740 0.002 0.000 0.184 243 N C 1.716 177.274 175.510 0.080 0.000 1.021 243 N CA 1.075 54.178 53.050 0.089 0.000 0.854 243 N CB -0.029 38.512 38.487 0.091 0.000 0.994 243 N HN 0.410 nan 8.380 nan 0.000 0.426 244 E N 0.645 120.888 120.200 0.072 0.000 2.051 244 E HA -0.070 4.281 4.350 0.002 0.000 0.192 244 E C 2.011 178.655 176.600 0.074 0.000 0.991 244 E CA 0.750 57.187 56.400 0.062 0.000 0.799 244 E CB -0.044 29.689 29.700 0.055 0.000 0.748 244 E HN 0.314 nan 8.360 nan 0.000 0.449 245 I N 0.656 121.282 120.570 0.094 0.000 2.163 245 I HA -0.170 4.001 4.170 0.002 0.000 0.240 245 I C 2.574 178.809 176.117 0.196 0.000 1.081 245 I CA 1.302 62.685 61.300 0.138 0.000 1.353 245 I CB -0.584 37.489 38.000 0.123 0.000 1.054 245 I HN 0.177 nan 8.210 nan 0.000 0.407 246 G N 0.269 109.156 108.800 0.145 0.000 2.443 246 G HA2 -0.137 3.824 3.960 0.002 0.000 0.219 246 G HA3 -0.137 3.824 3.960 0.002 0.000 0.219 246 G C 1.685 176.655 174.900 0.117 0.000 1.131 246 G CA 0.739 45.925 45.100 0.143 0.000 0.775 246 G HN 0.509 nan 8.290 nan 0.000 0.547 247 G N 0.494 109.344 108.800 0.083 0.000 2.418 247 G HA2 -0.227 3.734 3.960 0.002 0.000 0.217 247 G HA3 -0.227 3.734 3.960 0.002 0.000 0.217 247 G C 1.764 176.664 174.900 -0.000 0.000 1.158 247 G CA 0.944 46.071 45.100 0.044 0.000 0.771 247 G HN 0.467 nan 8.290 nan 0.000 0.545 248 R N -0.330 120.155 120.500 -0.024 0.000 2.127 248 R HA -0.104 4.237 4.340 0.002 0.000 0.238 248 R C 1.897 178.024 176.300 -0.287 0.000 1.134 248 R CA 1.446 57.450 56.100 -0.160 0.000 0.975 248 R CB -0.241 29.928 30.300 -0.220 0.000 0.865 248 R HN 0.529 nan 8.270 nan 0.000 0.447 249 H N -1.745 117.310 119.070 -0.026 0.000 2.539 249 H HA 0.248 4.804 4.556 0.001 0.000 0.269 249 H C 0.861 176.135 175.328 -0.090 0.000 0.980 249 H CA 0.606 56.621 56.048 -0.055 0.000 1.152 249 H CB 1.006 30.750 29.762 -0.030 0.000 1.407 249 H HN 0.483 nan 8.280 nan 0.000 0.564 250 G N 0.754 109.541 108.800 -0.022 0.000 2.176 250 G HA2 -0.290 3.671 3.960 0.002 0.000 0.252 250 G HA3 -0.290 3.671 3.960 0.002 0.000 0.252 250 G C 0.110 174.953 174.900 -0.094 0.000 1.024 250 G CA 0.340 45.384 45.100 -0.094 0.000 0.755 250 G HN 0.265 nan 8.290 nan 0.000 0.507 251 V N -0.313 119.587 119.914 -0.023 0.000 2.881 251 V HA 0.587 4.708 4.120 0.002 0.000 0.303 251 V C 1.798 177.885 176.094 -0.012 0.000 1.070 251 V CA 1.476 63.766 62.300 -0.016 0.000 1.074 251 V CB 1.307 33.148 31.823 0.030 0.000 1.012 251 V HN 1.993 nan 8.190 nan 0.000 0.482 252 G N 3.682 112.483 108.800 0.002 0.000 2.132 252 G HA2 -0.212 3.748 3.960 0.002 0.000 0.228 252 G HA3 -0.212 3.748 3.960 0.002 0.000 0.228 252 G C 0.101 175.024 174.900 0.038 0.000 1.000 252 G CA -0.113 45.013 45.100 0.044 0.000 0.693 252 G HN 0.639 nan 8.290 nan 0.000 0.515 253 R N -0.548 119.920 120.500 -0.053 0.000 2.297 253 R HA 0.633 4.974 4.340 0.002 0.000 0.308 253 R C -0.325 175.988 176.300 0.022 0.000 1.029 253 R CA -0.506 55.548 56.100 -0.076 0.000 0.929 253 R CB 2.018 32.100 30.300 -0.364 0.000 1.046 253 R HN 0.096 nan 8.270 nan 0.000 0.461 254 V N 2.143 122.135 119.914 0.130 0.000 2.789 254 V HA 0.245 4.366 4.120 0.002 0.000 0.311 254 V C -0.919 175.236 176.094 0.101 0.000 1.073 254 V CA -0.725 61.639 62.300 0.107 0.000 0.921 254 V CB 2.355 34.315 31.823 0.228 0.000 1.009 254 V HN 0.717 nan 8.190 nan 0.000 0.426 255 D N 4.374 124.756 120.400 -0.030 0.000 2.473 255 D HA 0.574 5.215 4.640 0.002 0.000 0.253 255 D C -0.964 175.283 176.300 -0.088 0.000 1.233 255 D CA -0.093 53.877 54.000 -0.050 0.000 0.908 255 D CB 1.484 42.239 40.800 -0.075 0.000 1.170 255 D HN 0.609 nan 8.370 nan 0.000 0.558 256 I N -0.466 120.098 120.570 -0.009 0.000 3.095 256 I HA 0.620 4.791 4.170 0.002 0.000 0.310 256 I C -1.373 174.771 176.117 0.045 0.000 1.196 256 I CA -1.054 60.252 61.300 0.010 0.000 0.985 256 I CB 2.398 40.449 38.000 0.085 0.000 1.250 256 I HN -0.060 nan 8.210 nan 0.000 0.446 257 V N 3.554 123.499 119.914 0.051 0.000 2.313 257 V HA 0.334 4.455 4.120 0.002 0.000 0.278 257 V C 0.050 176.194 176.094 0.083 0.000 1.017 257 V CA -0.299 62.039 62.300 0.063 0.000 0.823 257 V CB 0.965 32.822 31.823 0.056 0.000 1.010 257 V HN 0.896 nan 8.190 nan 0.000 0.443 258 E N 4.636 124.904 120.200 0.114 0.000 2.232 258 E HA 0.442 4.793 4.350 0.002 0.000 0.265 258 E C -0.952 175.757 176.600 0.182 0.000 1.001 258 E CA -1.033 55.449 56.400 0.138 0.000 0.870 258 E CB 1.562 31.377 29.700 0.193 0.000 1.175 258 E HN 0.472 nan 8.360 nan 0.000 0.407 259 N N 1.819 120.649 118.700 0.217 0.000 2.437 259 N HA 0.198 4.939 4.740 0.002 0.000 0.259 259 N C -0.561 175.243 175.510 0.489 0.000 0.983 259 N CA -0.325 52.894 53.050 0.282 0.000 0.937 259 N CB 1.282 39.911 38.487 0.237 0.000 1.122 259 N HN 0.316 nan 8.380 nan 0.000 0.499 260 R N 0.767 121.527 120.500 0.432 0.000 2.615 260 R HA 0.121 4.462 4.340 0.002 0.000 0.270 260 R C 1.094 177.696 176.300 0.503 0.000 1.081 260 R CA -0.480 55.923 56.100 0.506 0.000 1.154 260 R CB 0.592 31.051 30.300 0.265 0.000 1.063 260 R HN 0.442 nan 8.270 nan 0.000 0.519 261 F N 2.070 122.171 119.950 0.251 0.000 2.234 261 F HA -0.123 4.405 4.527 0.002 0.000 0.299 261 F C 1.758 177.521 175.800 -0.062 0.000 1.087 261 F CA 1.308 59.286 58.000 -0.037 0.000 1.340 261 F CB -0.237 38.657 39.000 -0.177 0.000 1.031 261 F HN 0.315 nan 8.300 nan 0.000 0.500 262 V N -1.441 118.473 119.914 -0.001 0.000 3.444 262 V HA 0.287 4.408 4.120 0.002 0.000 0.271 262 V C 1.753 177.813 176.094 -0.057 0.000 1.188 262 V CA 1.010 63.237 62.300 -0.122 0.000 1.168 262 V CB -0.873 30.912 31.823 -0.063 0.000 0.810 262 V HN 0.605 nan 8.190 nan 0.000 0.500 263 G N -0.247 108.570 108.800 0.028 0.000 2.231 263 G HA2 -0.185 3.775 3.960 0.002 0.000 0.206 263 G HA3 -0.185 3.775 3.960 0.002 0.000 0.206 263 G C 0.031 174.976 174.900 0.075 0.000 0.996 263 G CA 0.101 45.229 45.100 0.046 0.000 0.645 263 G HN 0.774 nan 8.290 nan 0.000 0.498 264 M N 0.240 119.891 119.600 0.086 0.000 2.705 264 M HA 0.807 5.287 4.480 0.002 0.000 0.311 264 M C -0.466 175.902 176.300 0.114 0.000 1.214 264 M CA -0.825 54.525 55.300 0.083 0.000 0.920 264 M CB 1.109 33.743 32.600 0.056 0.000 1.687 264 M HN 0.024 nan 8.290 nan 0.000 0.481 265 K N 1.367 121.824 120.400 0.096 0.000 2.118 265 K HA 0.638 4.959 4.320 0.002 0.000 0.264 265 K C -0.475 176.178 176.600 0.089 0.000 1.000 265 K CA -0.332 56.017 56.287 0.104 0.000 0.929 265 K CB 1.366 33.916 32.500 0.083 0.000 1.021 265 K HN 0.937 nan 8.250 nan 0.000 0.463 266 S N 1.063 116.821 115.700 0.097 0.000 2.533 266 S HA 0.317 4.788 4.470 0.002 0.000 0.271 266 S C -1.129 173.508 174.600 0.062 0.000 1.143 266 S CA -1.167 57.076 58.200 0.071 0.000 0.891 266 S CB 1.770 65.013 63.200 0.072 0.000 1.105 266 S HN 0.502 nan 8.310 nan 0.000 0.468 267 R N 1.389 121.906 120.500 0.029 0.000 2.216 267 R HA 0.578 4.919 4.340 0.002 0.000 0.332 267 R C 0.089 176.361 176.300 -0.047 0.000 1.056 267 R CA 0.131 56.233 56.100 0.002 0.000 0.901 267 R CB 0.518 30.813 30.300 -0.008 0.000 1.039 267 R HN 0.992 nan 8.270 nan 0.000 0.456 268 G N 1.818 110.580 108.800 -0.063 0.000 2.481 268 G HA2 0.551 4.512 3.960 0.002 0.000 0.315 268 G HA3 0.551 4.512 3.960 0.002 0.000 0.315 268 G C -1.427 173.236 174.900 -0.394 0.000 1.231 268 G CA -0.386 44.559 45.100 -0.259 0.000 0.968 268 G HN 0.375 nan 8.290 nan 0.000 0.482 269 V N 1.220 120.738 119.914 -0.660 0.000 2.588 269 V HA 0.575 4.696 4.120 0.002 0.000 0.304 269 V C -1.332 174.449 176.094 -0.521 0.000 1.042 269 V CA -0.693 61.362 62.300 -0.408 0.000 0.877 269 V CB 1.150 32.782 31.823 -0.319 0.000 0.996 269 V HN 0.694 nan 8.190 nan 0.000 0.425 270 Y N 2.071 122.492 120.300 0.200 0.000 2.477 270 Y HA 0.618 5.169 4.550 0.002 0.000 0.347 270 Y C 0.116 176.193 175.900 0.295 0.000 0.981 270 Y CA -1.055 57.191 58.100 0.244 0.000 1.033 270 Y CB 2.020 40.659 38.460 0.298 0.000 1.245 270 Y HN 0.730 nan 8.280 nan 0.000 0.455 271 E N 0.236 120.703 120.200 0.445 0.000 2.185 271 E HA 0.597 4.948 4.350 0.002 0.000 0.261 271 E C -1.313 175.465 176.600 0.298 0.000 0.879 271 E CA -1.041 55.548 56.400 0.316 0.000 0.756 271 E CB 1.679 31.576 29.700 0.328 0.000 1.152 271 E HN 0.538 nan 8.360 nan 0.000 0.416 272 T N 4.800 119.497 114.554 0.239 0.000 3.504 272 T HA 0.200 4.551 4.350 0.002 0.000 0.286 272 T C -1.913 172.876 174.700 0.148 0.000 1.530 272 T CA -1.148 61.086 62.100 0.222 0.000 1.652 272 T CB 0.793 69.791 68.868 0.217 0.000 0.895 272 T HN 0.382 nan 8.240 nan 0.000 0.674 273 P HA -0.156 nan 4.420 nan 0.000 0.212 273 P C 1.874 179.240 177.300 0.110 0.000 1.178 273 P CA 1.440 64.602 63.100 0.103 0.000 0.915 273 P CB -0.106 31.649 31.700 0.092 0.000 0.788 274 G N -0.241 108.626 108.800 0.112 0.000 2.421 274 G HA2 -0.199 3.762 3.960 0.002 0.000 0.216 274 G HA3 -0.199 3.762 3.960 0.002 0.000 0.216 274 G C 1.981 176.949 174.900 0.113 0.000 1.171 274 G CA 1.079 46.244 45.100 0.108 0.000 0.775 274 G HN 0.429 nan 8.290 nan 0.000 0.543 275 G N 0.026 108.892 108.800 0.111 0.000 2.422 275 G HA2 -0.126 3.835 3.960 0.002 0.000 0.218 275 G HA3 -0.126 3.835 3.960 0.002 0.000 0.218 275 G C 1.821 176.791 174.900 0.116 0.000 1.146 275 G CA 1.718 46.880 45.100 0.103 0.000 0.769 275 G HN 0.395 nan 8.290 nan 0.000 0.547 276 T N 1.158 115.783 114.554 0.118 0.000 2.821 276 T HA 0.019 4.370 4.350 0.002 0.000 0.267 276 T C 2.377 177.206 174.700 0.214 0.000 1.046 276 T CA 0.688 62.869 62.100 0.135 0.000 1.139 276 T CB -0.092 68.857 68.868 0.135 0.000 0.871 276 T HN 0.247 nan 8.240 nan 0.000 0.454 277 I N 0.779 121.459 120.570 0.183 0.000 2.179 277 I HA -0.130 4.041 4.170 0.002 0.000 0.242 277 I C 2.240 178.474 176.117 0.195 0.000 1.088 277 I CA 1.212 62.626 61.300 0.190 0.000 1.357 277 I CB -0.370 37.710 38.000 0.134 0.000 1.051 277 I HN 0.200 nan 8.210 nan 0.000 0.409 278 L N -0.576 120.749 121.223 0.169 0.000 2.083 278 L HA -0.263 4.077 4.340 0.002 0.000 0.209 278 L C 2.667 179.625 176.870 0.147 0.000 1.083 278 L CA 1.430 56.384 54.840 0.189 0.000 0.752 278 L CB -0.709 41.434 42.059 0.140 0.000 0.899 278 L HN 0.267 nan 8.230 nan 0.000 0.433 279 Y N 0.200 120.477 120.300 -0.039 0.000 2.114 279 Y HA -0.302 4.248 4.550 0.002 0.000 0.284 279 Y C 2.851 178.604 175.900 -0.244 0.000 1.143 279 Y CA 1.852 59.838 58.100 -0.189 0.000 1.135 279 Y CB -0.205 38.055 38.460 -0.332 0.000 0.980 279 Y HN 0.198 nan 8.280 nan 0.000 0.499 280 H N -0.735 118.395 119.070 0.102 0.000 2.428 280 H HA 0.043 4.600 4.556 0.002 0.000 0.296 280 H C 2.310 177.590 175.328 -0.080 0.000 1.062 280 H CA 1.010 57.058 56.048 -0.001 0.000 1.350 280 H CB -0.565 29.246 29.762 0.082 0.000 1.403 280 H HN 0.516 nan 8.280 nan 0.000 0.533 281 A N 1.417 124.288 122.820 0.086 0.000 1.898 281 A HA -0.180 4.141 4.320 0.002 0.000 0.216 281 A C 2.515 179.944 177.584 -0.258 0.000 1.181 281 A CA 1.495 53.570 52.037 0.064 0.000 0.620 281 A CB -0.479 18.697 19.000 0.293 0.000 0.819 281 A HN 0.301 nan 8.150 nan 0.000 0.442 282 R N -0.369 119.887 120.500 -0.407 0.000 2.080 282 R HA -0.134 4.207 4.340 0.002 0.000 0.236 282 R C 2.375 178.312 176.300 -0.604 0.000 1.137 282 R CA 1.732 57.311 56.100 -0.869 0.000 0.943 282 R CB -0.278 29.709 30.300 -0.521 0.000 0.846 282 R HN 0.495 nan 8.270 nan 0.000 0.431 283 R N -0.175 120.048 120.500 -0.460 0.000 2.120 283 R HA -0.084 4.257 4.340 0.002 0.000 0.234 283 R C 2.279 178.438 176.300 -0.235 0.000 1.123 283 R CA 1.129 57.023 56.100 -0.343 0.000 0.975 283 R CB -0.289 29.817 30.300 -0.323 0.000 0.866 283 R HN 0.308 nan 8.270 nan 0.000 0.446 284 A N 0.744 123.442 122.820 -0.202 0.000 1.902 284 A HA -0.102 4.219 4.320 0.002 0.000 0.217 284 A C 2.332 179.816 177.584 -0.166 0.000 1.181 284 A CA 1.305 53.261 52.037 -0.134 0.000 0.623 284 A CB -0.408 18.548 19.000 -0.073 0.000 0.818 284 A HN 0.108 nan 8.150 nan 0.000 0.443 285 V N 0.171 119.929 119.914 -0.259 0.000 2.453 285 V HA -0.221 3.900 4.120 0.002 0.000 0.247 285 V C 2.292 178.254 176.094 -0.220 0.000 1.048 285 V CA 2.057 64.212 62.300 -0.242 0.000 1.049 285 V CB -0.847 30.755 31.823 -0.368 0.000 0.672 285 V HN 0.624 nan 8.190 nan 0.000 0.457 286 E N 0.904 120.945 120.200 -0.265 0.000 2.150 286 E HA -0.176 4.175 4.350 0.002 0.000 0.193 286 E C 2.316 178.834 176.600 -0.136 0.000 0.985 286 E CA 1.457 57.734 56.400 -0.204 0.000 0.814 286 E CB -0.230 29.337 29.700 -0.222 0.000 0.752 286 E HN 0.761 nan 8.360 nan 0.000 0.466 287 S N 0.575 116.199 115.700 -0.126 0.000 2.442 287 S HA -0.106 4.365 4.470 0.002 0.000 0.236 287 S C 1.877 176.436 174.600 -0.068 0.000 1.007 287 S CA 0.787 58.935 58.200 -0.086 0.000 0.965 287 S CB -0.164 62.985 63.200 -0.085 0.000 0.773 287 S HN 0.195 nan 8.310 nan 0.000 0.504 288 L N 0.951 122.131 121.223 -0.071 0.000 2.470 288 L HA 0.134 4.475 4.340 0.002 0.000 0.219 288 L C 2.641 179.492 176.870 -0.032 0.000 1.071 288 L CA 1.129 55.950 54.840 -0.033 0.000 0.850 288 L CB -0.411 41.633 42.059 -0.026 0.000 1.040 288 L HN 0.518 nan 8.230 nan 0.000 0.475 289 T N -2.655 111.858 114.554 -0.068 0.000 3.037 289 T HA 0.260 4.611 4.350 0.002 0.000 0.251 289 T C 0.695 175.343 174.700 -0.087 0.000 1.079 289 T CA -0.032 62.022 62.100 -0.077 0.000 1.067 289 T CB 0.083 68.891 68.868 -0.100 0.000 0.948 289 T HN -0.045 nan 8.240 nan 0.000 0.496 290 L N 2.160 123.330 121.223 -0.089 0.000 2.322 290 L HA 0.471 4.812 4.340 0.002 0.000 0.279 290 L C 0.106 176.932 176.870 -0.074 0.000 1.036 290 L CA -1.091 53.696 54.840 -0.088 0.000 0.807 290 L CB 1.440 43.444 42.059 -0.093 0.000 1.226 290 L HN 0.258 nan 8.230 nan 0.000 0.433 291 D N 2.360 122.714 120.400 -0.075 0.000 2.372 291 D HA -0.001 4.640 4.640 0.002 0.000 0.243 291 D C 0.987 177.215 176.300 -0.121 0.000 1.121 291 D CA -0.200 53.752 54.000 -0.080 0.000 0.898 291 D CB 1.381 42.142 40.800 -0.066 0.000 1.202 291 D HN 0.526 nan 8.370 nan 0.000 0.428 292 R N 2.149 122.552 120.500 -0.161 0.000 2.097 292 R HA -0.190 4.151 4.340 0.002 0.000 0.236 292 R C 1.582 177.578 176.300 -0.507 0.000 1.135 292 R CA 1.580 57.482 56.100 -0.329 0.000 0.934 292 R CB -0.002 30.136 30.300 -0.270 0.000 0.846 292 R HN 0.532 nan 8.270 nan 0.000 0.431 293 E N 0.096 120.126 120.200 -0.282 0.000 2.110 293 E HA -0.133 4.218 4.350 0.002 0.000 0.193 293 E C 2.143 178.704 176.600 -0.065 0.000 0.988 293 E CA 1.091 57.388 56.400 -0.172 0.000 0.804 293 E CB -0.284 29.376 29.700 -0.067 0.000 0.745 293 E HN 0.244 nan 8.360 nan 0.000 0.458 294 V N 1.675 121.563 119.914 -0.044 0.000 2.295 294 V HA -0.248 3.873 4.120 0.002 0.000 0.246 294 V C 2.506 178.637 176.094 0.062 0.000 1.049 294 V CA 1.615 63.935 62.300 0.033 0.000 1.024 294 V CB -0.572 31.248 31.823 -0.005 0.000 0.648 294 V HN 0.175 nan 8.190 nan 0.000 0.447 295 L N 0.069 121.290 121.223 -0.003 0.000 2.012 295 L HA -0.237 4.104 4.340 0.002 0.000 0.210 295 L C 2.378 179.359 176.870 0.185 0.000 1.073 295 L CA 2.192 57.068 54.840 0.059 0.000 0.748 295 L CB -0.977 41.098 42.059 0.027 0.000 0.891 295 L HN 0.482 nan 8.230 nan 0.000 0.431 296 H N -1.954 117.141 119.070 0.042 0.000 2.387 296 H HA -0.174 4.383 4.556 0.002 0.000 0.299 296 H C 2.116 177.474 175.328 0.051 0.000 1.090 296 H CA 0.972 57.043 56.048 0.039 0.000 1.332 296 H CB 0.216 29.995 29.762 0.028 0.000 1.386 296 H HN 0.428 nan 8.280 nan 0.000 0.516 297 Q N 1.162 121.077 119.800 0.191 0.000 2.049 297 Q HA -0.119 4.222 4.340 0.002 0.000 0.198 297 Q C 2.391 178.480 176.000 0.149 0.000 0.971 297 Q CA 1.033 56.908 55.803 0.120 0.000 0.833 297 Q CB -0.039 28.761 28.738 0.103 0.000 0.896 297 Q HN 0.094 nan 8.270 nan 0.000 0.434 298 R N 0.512 121.176 120.500 0.273 0.000 2.083 298 R HA -0.143 4.198 4.340 0.002 0.000 0.237 298 R C 1.135 177.613 176.300 0.297 0.000 1.137 298 R CA 1.968 58.310 56.100 0.402 0.000 0.951 298 R CB -0.730 29.778 30.300 0.347 0.000 0.851 298 R HN 0.375 nan 8.270 nan 0.000 0.434 299 D N -0.007 120.501 120.400 0.182 0.000 2.263 299 D HA -0.109 4.532 4.640 0.002 0.000 0.208 299 D C 1.784 178.141 176.300 0.096 0.000 0.971 299 D CA 0.926 54.996 54.000 0.116 0.000 0.867 299 D CB -0.049 40.797 40.800 0.077 0.000 0.929 299 D HN 0.312 nan 8.370 nan 0.000 0.492 300 M N -0.605 119.050 119.600 0.092 0.000 2.506 300 M HA 0.060 4.541 4.480 0.002 0.000 0.260 300 M C 1.577 177.918 176.300 0.069 0.000 1.104 300 M CA 0.496 55.829 55.300 0.055 0.000 1.112 300 M CB 0.384 33.001 32.600 0.027 0.000 1.401 300 M HN -0.015 nan 8.290 nan 0.000 0.473 301 L N -1.587 119.712 121.223 0.127 0.000 2.463 301 L HA 0.065 4.406 4.340 0.002 0.000 0.219 301 L C 2.360 179.443 176.870 0.355 0.000 1.088 301 L CA 0.071 55.019 54.840 0.180 0.000 0.849 301 L CB -0.179 41.920 42.059 0.066 0.000 1.012 301 L HN 0.128 nan 8.230 nan 0.000 0.468 302 S N 0.856 116.736 115.700 0.301 0.000 2.365 302 S HA -0.127 4.344 4.470 0.002 0.000 0.225 302 S C -0.559 174.126 174.600 0.142 0.000 1.039 302 S CA 1.713 59.995 58.200 0.136 0.000 1.033 302 S CB -0.970 62.236 63.200 0.010 0.000 0.887 302 S HN 0.284 nan 8.310 nan 0.000 0.447 303 P HA -0.095 nan 4.420 nan 0.000 0.216 303 P C 1.351 178.710 177.300 0.097 0.000 1.150 303 P CA 1.133 64.274 63.100 0.068 0.000 0.837 303 P CB 0.054 31.765 31.700 0.020 0.000 0.786 304 K N -0.705 119.768 120.400 0.123 0.000 2.026 304 K HA -0.192 4.129 4.320 0.002 0.000 0.208 304 K C 2.178 178.864 176.600 0.144 0.000 1.048 304 K CA 1.501 57.851 56.287 0.105 0.000 0.929 304 K CB -1.554 31.007 32.500 0.101 0.000 0.713 304 K HN 0.060 nan 8.250 nan 0.000 0.439 305 Y N 0.281 120.652 120.300 0.118 0.000 2.207 305 Y HA -0.212 4.338 4.550 0.001 0.000 0.287 305 Y C 1.863 177.800 175.900 0.062 0.000 1.156 305 Y CA 1.878 60.057 58.100 0.133 0.000 1.182 305 Y CB -0.402 38.181 38.460 0.206 0.000 0.979 305 Y HN 0.160 nan 8.280 nan 0.000 0.521 306 A N 0.795 123.753 122.820 0.230 0.000 1.902 306 A HA -0.241 4.080 4.320 0.002 0.000 0.217 306 A C 2.137 179.732 177.584 0.017 0.000 1.181 306 A CA 1.854 53.976 52.037 0.142 0.000 0.623 306 A CB -0.906 18.196 19.000 0.170 0.000 0.818 306 A HN 0.743 nan 8.150 nan 0.000 0.443 307 E N 0.127 120.312 120.200 -0.025 0.000 2.150 307 E HA -0.138 4.213 4.350 0.002 0.000 0.193 307 E C 1.890 178.162 176.600 -0.546 0.000 0.985 307 E CA 1.092 57.275 56.400 -0.362 0.000 0.814 307 E CB -0.526 28.948 29.700 -0.377 0.000 0.752 307 E HN 0.573 nan 8.360 nan 0.000 0.466 308 L N 1.141 122.218 121.223 -0.244 0.000 2.012 308 L HA -0.181 4.160 4.340 0.002 0.000 0.210 308 L C 2.661 179.512 176.870 -0.033 0.000 1.073 308 L CA 1.123 55.909 54.840 -0.090 0.000 0.748 308 L CB -0.472 41.520 42.059 -0.111 0.000 0.891 308 L HN 0.107 nan 8.230 nan 0.000 0.431 309 V N -1.095 118.745 119.914 -0.122 0.000 2.343 309 V HA -0.336 3.785 4.120 0.002 0.000 0.247 309 V C 2.220 178.260 176.094 -0.089 0.000 1.051 309 V CA 1.859 64.130 62.300 -0.047 0.000 1.036 309 V CB -0.765 31.022 31.823 -0.059 0.000 0.654 309 V HN 0.374 nan 8.190 nan 0.000 0.451 310 Y N -0.102 120.001 120.300 -0.329 0.000 2.181 310 Y HA -0.254 4.296 4.550 0.001 0.000 0.288 310 Y C 2.407 178.193 175.900 -0.189 0.000 1.146 310 Y CA 1.713 59.571 58.100 -0.405 0.000 1.164 310 Y CB -0.265 37.615 38.460 -0.967 0.000 0.982 310 Y HN 0.280 nan 8.280 nan 0.000 0.515 311 Y N -0.573 119.582 120.300 -0.242 0.000 2.373 311 Y HA 0.180 4.730 4.550 0.002 0.000 0.293 311 Y C 2.252 177.927 175.900 -0.375 0.000 1.129 311 Y CA 0.547 58.355 58.100 -0.488 0.000 1.226 311 Y CB -0.620 37.338 38.460 -0.837 0.000 1.000 311 Y HN 0.247 nan 8.280 nan 0.000 0.549 312 G N -1.645 107.092 108.800 -0.106 0.000 2.175 312 G HA2 -0.226 3.735 3.960 0.002 0.000 0.182 312 G HA3 -0.226 3.735 3.960 0.002 0.000 0.182 312 G C -0.069 174.712 174.900 -0.197 0.000 1.003 312 G CA -0.521 44.470 45.100 -0.182 0.000 0.666 312 G HN 0.181 nan 8.290 nan 0.000 0.506 313 F N 1.287 121.274 119.950 0.062 0.000 2.640 313 F HA 0.383 4.911 4.527 0.001 0.000 0.354 313 F C 1.530 177.369 175.800 0.066 0.000 1.213 313 F CA -0.631 57.416 58.000 0.078 0.000 1.314 313 F CB -0.052 38.971 39.000 0.037 0.000 1.679 313 F HN 0.372 nan 8.300 nan 0.000 0.622 314 W N 0.276 121.570 121.300 -0.011 0.000 2.501 314 W HA -0.067 4.594 4.660 0.001 0.000 0.309 314 W C 0.139 176.571 176.519 -0.144 0.000 1.165 314 W CA 0.842 58.100 57.345 -0.145 0.000 1.381 314 W CB -0.269 29.049 29.460 -0.236 0.000 1.142 314 W HN 0.125 nan 8.180 nan 0.000 0.509 315 Y N 1.470 121.865 120.300 0.158 0.000 2.735 315 Y HA 0.431 4.982 4.550 0.001 0.000 0.354 315 Y C 0.374 176.318 175.900 0.073 0.000 1.288 315 Y CA -0.326 57.801 58.100 0.045 0.000 1.836 315 Y CB -0.615 37.936 38.460 0.151 0.000 1.920 315 Y HN -0.116 nan 8.280 nan 0.000 0.438 316 A N 1.897 124.794 122.820 0.128 0.000 2.475 316 A HA 0.505 4.826 4.320 0.002 0.000 0.301 316 A C -1.969 175.651 177.584 0.060 0.000 1.059 316 A CA -1.761 50.376 52.037 0.166 0.000 0.710 316 A CB 1.611 20.796 19.000 0.309 0.000 1.288 316 A HN 0.195 nan 8.150 nan 0.000 0.408 317 P HA -0.210 nan 4.420 nan 0.000 0.216 317 P C 0.628 177.925 177.300 -0.005 0.000 1.150 317 P CA 1.724 64.837 63.100 0.020 0.000 0.837 317 P CB 0.266 31.982 31.700 0.028 0.000 0.786 318 E N 0.112 120.306 120.200 -0.010 0.000 2.058 318 E HA -0.177 4.174 4.350 0.002 0.000 0.194 318 E C 2.413 179.003 176.600 -0.018 0.000 0.997 318 E CA 1.030 57.413 56.400 -0.028 0.000 0.801 318 E CB -0.877 28.785 29.700 -0.062 0.000 0.746 318 E HN 0.156 nan 8.360 nan 0.000 0.450 319 R N 1.028 121.502 120.500 -0.044 0.000 2.073 319 R HA -0.152 4.189 4.340 0.002 0.000 0.234 319 R C 1.876 178.136 176.300 -0.068 0.000 1.134 319 R CA 1.669 57.712 56.100 -0.095 0.000 0.952 319 R CB -0.102 30.050 30.300 -0.247 0.000 0.850 319 R HN 0.320 nan 8.270 nan 0.000 0.433 320 E N -0.190 119.945 120.200 -0.108 0.000 2.150 320 E HA -0.128 4.223 4.350 0.002 0.000 0.193 320 E C 1.912 178.501 176.600 -0.019 0.000 0.985 320 E CA 0.960 57.307 56.400 -0.088 0.000 0.814 320 E CB -0.053 29.597 29.700 -0.084 0.000 0.752 320 E HN 0.396 nan 8.360 nan 0.000 0.466 321 A N 1.463 124.277 122.820 -0.011 0.000 1.873 321 A HA -0.120 4.201 4.320 0.002 0.000 0.215 321 A C 2.204 179.785 177.584 -0.004 0.000 1.186 321 A CA 0.898 52.929 52.037 -0.011 0.000 0.616 321 A CB -0.608 18.378 19.000 -0.024 0.000 0.823 321 A HN 0.125 nan 8.150 nan 0.000 0.442 322 L N -0.983 120.255 121.223 0.026 0.000 2.131 322 L HA -0.222 4.119 4.340 0.002 0.000 0.210 322 L C 2.826 179.733 176.870 0.061 0.000 1.092 322 L CA 1.619 56.458 54.840 -0.002 0.000 0.759 322 L CB -0.393 41.791 42.059 0.209 0.000 0.903 322 L HN 0.476 nan 8.230 nan 0.000 0.435 323 Q N 0.140 120.069 119.800 0.215 0.000 2.170 323 Q HA -0.169 4.172 4.340 0.002 0.000 0.203 323 Q C 2.159 178.225 176.000 0.110 0.000 0.976 323 Q CA 1.768 57.713 55.803 0.236 0.000 0.858 323 Q CB -0.131 28.686 28.738 0.131 0.000 0.907 323 Q HN 0.460 nan 8.270 nan 0.000 0.433 324 A N -0.796 122.053 122.820 0.049 0.000 1.930 324 A HA -0.183 4.138 4.320 0.002 0.000 0.217 324 A C 1.922 179.513 177.584 0.012 0.000 1.175 324 A CA 1.419 53.470 52.037 0.025 0.000 0.627 324 A CB -0.937 18.067 19.000 0.006 0.000 0.815 324 A HN 0.611 nan 8.150 nan 0.000 0.443 325 Y N -0.482 119.719 120.300 -0.165 0.000 2.133 325 Y HA -0.173 4.378 4.550 0.002 0.000 0.287 325 Y C 1.984 177.790 175.900 -0.158 0.000 1.134 325 Y CA 1.798 59.752 58.100 -0.243 0.000 1.133 325 Y CB -0.608 37.568 38.460 -0.473 0.000 0.987 325 Y HN 0.293 nan 8.280 nan 0.000 0.502 326 F N 0.471 120.395 119.950 -0.042 0.000 2.161 326 F HA -0.252 4.275 4.527 0.001 0.000 0.300 326 F C 2.123 177.819 175.800 -0.174 0.000 1.089 326 F CA 1.230 59.135 58.000 -0.160 0.000 1.282 326 F CB -0.307 38.597 39.000 -0.159 0.000 1.010 326 F HN 0.088 nan 8.300 nan 0.000 0.485 327 D N -1.222 119.219 120.400 0.069 0.000 2.178 327 D HA -0.181 4.460 4.640 0.002 0.000 0.202 327 D C 1.842 178.116 176.300 -0.042 0.000 0.974 327 D CA 1.286 55.294 54.000 0.013 0.000 0.841 327 D CB -0.504 40.316 40.800 0.032 0.000 0.953 327 D HN 0.361 nan 8.370 nan 0.000 0.478 328 H N 0.367 119.343 119.070 -0.157 0.000 2.299 328 H HA -0.053 4.504 4.556 0.001 0.000 0.302 328 H C 1.946 177.141 175.328 -0.220 0.000 1.078 328 H CA 1.659 57.596 56.048 -0.184 0.000 1.323 328 H CB -0.235 29.395 29.762 -0.220 0.000 1.381 328 H HN -0.114 nan 8.280 nan 0.000 0.498 329 V N 0.973 120.730 119.914 -0.262 0.000 2.287 329 V HA -0.282 3.839 4.120 0.002 0.000 0.248 329 V C 2.762 178.717 176.094 -0.232 0.000 1.053 329 V CA 1.844 63.974 62.300 -0.283 0.000 1.027 329 V CB -1.357 30.287 31.823 -0.298 0.000 0.646 329 V HN 0.714 nan 8.190 nan 0.000 0.447 330 A N -0.186 122.532 122.820 -0.171 0.000 2.024 330 A HA -0.270 4.051 4.320 0.002 0.000 0.220 330 A C 2.381 179.858 177.584 -0.178 0.000 1.164 330 A CA 1.916 53.863 52.037 -0.150 0.000 0.643 330 A CB -0.700 18.241 19.000 -0.100 0.000 0.806 330 A HN 0.506 nan 8.150 nan 0.000 0.451 331 R N -0.143 120.229 120.500 -0.213 0.000 2.159 331 R HA -0.102 4.239 4.340 0.002 0.000 0.237 331 R C 1.618 177.766 176.300 -0.254 0.000 1.131 331 R CA 1.611 57.569 56.100 -0.238 0.000 0.982 331 R CB -0.202 29.946 30.300 -0.254 0.000 0.868 331 R HN 0.471 nan 8.270 nan 0.000 0.453 332 S N -0.193 115.364 115.700 -0.239 0.000 2.496 332 S HA 0.050 4.521 4.470 0.002 0.000 0.224 332 S C 0.414 174.909 174.600 -0.175 0.000 0.996 332 S CA 0.163 58.241 58.200 -0.203 0.000 0.927 332 S CB 0.563 63.650 63.200 -0.188 0.000 0.774 332 S HN 0.054 nan 8.310 nan 0.000 0.524 333 V N 3.718 123.525 119.914 -0.178 0.000 2.266 333 V HA 0.141 4.262 4.120 0.002 0.000 0.240 333 V C 0.012 176.044 176.094 -0.103 0.000 1.225 333 V CA 0.322 62.523 62.300 -0.164 0.000 1.237 333 V CB -0.894 30.808 31.823 -0.201 0.000 1.343 333 V HN 0.192 nan 8.190 nan 0.000 0.496 334 T N 3.128 117.632 114.554 -0.083 0.000 2.840 334 T HA 0.782 5.133 4.350 0.002 0.000 0.287 334 T C 0.400 175.118 174.700 0.031 0.000 0.991 334 T CA 0.050 62.146 62.100 -0.007 0.000 0.964 334 T CB 1.706 70.545 68.868 -0.049 0.000 0.954 334 T HN 0.908 nan 8.240 nan 0.000 0.438 335 G N 1.331 110.189 108.800 0.097 0.000 2.323 335 G HA2 0.464 4.425 3.960 0.002 0.000 0.291 335 G HA3 0.464 4.425 3.960 0.002 0.000 0.291 335 G C -2.135 172.841 174.900 0.127 0.000 1.278 335 G CA -0.552 44.595 45.100 0.079 0.000 0.860 335 G HN 0.691 nan 8.290 nan 0.000 0.504 336 V N 0.236 120.204 119.914 0.090 0.000 2.656 336 V HA 0.810 4.931 4.120 0.002 0.000 0.307 336 V C 0.333 176.478 176.094 0.084 0.000 1.051 336 V CA -0.128 62.239 62.300 0.113 0.000 0.893 336 V CB 1.372 33.245 31.823 0.083 0.000 0.999 336 V HN 1.735 nan 8.190 nan 0.000 0.426 337 A N 4.369 127.260 122.820 0.119 0.000 2.330 337 A HA 0.868 5.189 4.320 0.002 0.000 0.327 337 A C -0.328 177.315 177.584 0.098 0.000 1.155 337 A CA -0.729 51.358 52.037 0.083 0.000 0.803 337 A CB 1.069 20.120 19.000 0.085 0.000 1.208 337 A HN 0.826 nan 8.150 nan 0.000 0.477 338 R N 2.405 122.956 120.500 0.084 0.000 2.360 338 R HA 0.614 4.954 4.340 0.002 0.000 0.318 338 R C -1.773 174.602 176.300 0.124 0.000 0.950 338 R CA -0.417 55.750 56.100 0.111 0.000 0.837 338 R CB 0.518 30.880 30.300 0.103 0.000 1.165 338 R HN 0.637 nan 8.270 nan 0.000 0.458 339 L N 2.844 124.143 121.223 0.125 0.000 2.319 339 L HA 0.554 4.895 4.340 0.002 0.000 0.267 339 L C -0.449 176.439 176.870 0.030 0.000 1.011 339 L CA -0.675 54.218 54.840 0.088 0.000 0.818 339 L CB 1.731 43.833 42.059 0.071 0.000 1.316 339 L HN 0.452 nan 8.230 nan 0.000 0.432 340 K N 1.959 122.338 120.400 -0.035 0.000 2.394 340 K HA 0.639 4.959 4.320 0.002 0.000 0.260 340 K C -1.560 174.990 176.600 -0.083 0.000 0.967 340 K CA -0.421 55.709 56.287 -0.261 0.000 0.855 340 K CB 0.837 33.142 32.500 -0.325 0.000 1.101 340 K HN 0.530 nan 8.250 nan 0.000 0.433 341 L N 4.752 125.848 121.223 -0.211 0.000 2.289 341 L HA 0.480 4.821 4.340 0.002 0.000 0.285 341 L C -0.930 175.865 176.870 -0.125 0.000 1.049 341 L CA -1.061 53.659 54.840 -0.201 0.000 0.804 341 L CB 0.772 42.573 42.059 -0.430 0.000 1.195 341 L HN 0.620 nan 8.230 nan 0.000 0.428 342 Y N 2.926 123.190 120.300 -0.061 0.000 2.299 342 Y HA 0.173 4.724 4.550 0.001 0.000 0.318 342 Y C -0.535 175.428 175.900 0.106 0.000 1.205 342 Y CA -1.498 56.632 58.100 0.049 0.000 1.106 342 Y CB 1.079 39.574 38.460 0.058 0.000 1.246 342 Y HN 0.556 nan 8.280 nan 0.000 0.415 343 K N 5.048 125.185 120.400 -0.439 0.000 4.444 343 K HA -0.222 4.099 4.320 0.002 0.000 0.281 343 K C 1.020 177.508 176.600 -0.187 0.000 0.817 343 K CA 1.442 57.490 56.287 -0.398 0.000 0.793 343 K CB -1.348 30.731 32.500 -0.701 0.000 1.784 343 K HN 1.405 nan 8.250 nan 0.000 0.424 344 G N -0.370 108.367 108.800 -0.106 0.000 2.253 344 G HA2 -0.308 3.653 3.960 0.002 0.000 0.251 344 G HA3 -0.308 3.653 3.960 0.002 0.000 0.251 344 G C 0.058 174.898 174.900 -0.100 0.000 0.998 344 G CA 0.279 45.318 45.100 -0.102 0.000 0.621 344 G HN 0.494 nan 8.290 nan 0.000 0.524 345 N N -0.434 118.206 118.700 -0.100 0.000 2.443 345 N HA 0.658 5.399 4.740 0.002 0.000 0.293 345 N C -0.588 174.751 175.510 -0.285 0.000 1.159 345 N CA -0.232 52.666 53.050 -0.254 0.000 0.904 345 N CB 2.020 40.241 38.487 -0.442 0.000 1.214 345 N HN 0.133 nan 8.380 nan 0.000 0.513 346 V N 3.104 122.752 119.914 -0.444 0.000 2.376 346 V HA 0.359 4.480 4.120 0.002 0.000 0.287 346 V C -1.223 174.584 176.094 -0.478 0.000 1.015 346 V CA -0.605 61.509 62.300 -0.311 0.000 0.834 346 V CB 0.195 31.925 31.823 -0.156 0.000 1.001 346 V HN 0.485 nan 8.190 nan 0.000 0.428 347 Y N 3.011 123.241 120.300 -0.116 0.000 2.331 347 Y HA 0.529 5.080 4.550 0.001 0.000 0.338 347 Y C 0.286 176.143 175.900 -0.073 0.000 0.992 347 Y CA -0.943 57.093 58.100 -0.107 0.000 1.121 347 Y CB 1.760 40.169 38.460 -0.085 0.000 1.184 347 Y HN 0.352 nan 8.280 nan 0.000 0.469 348 V N 4.877 124.833 119.914 0.070 0.000 2.508 348 V HA 0.059 4.180 4.120 0.002 0.000 0.281 348 V C 0.713 176.855 176.094 0.079 0.000 1.041 348 V CA 0.043 62.381 62.300 0.063 0.000 1.016 348 V CB 0.873 32.717 31.823 0.035 0.000 0.984 348 V HN 0.836 nan 8.190 nan 0.000 0.478 349 V N 1.871 121.837 119.914 0.087 0.000 3.502 349 V HA 0.770 4.891 4.120 0.002 0.000 0.288 349 V C 0.575 176.703 176.094 0.057 0.000 1.461 349 V CA 0.664 63.015 62.300 0.085 0.000 1.029 349 V CB 0.244 32.158 31.823 0.152 0.000 0.843 349 V HN 0.951 nan 8.190 nan 0.000 0.438 350 G N 0.937 109.765 108.800 0.047 0.000 2.547 350 G HA2 0.676 4.637 3.960 0.002 0.000 0.291 350 G HA3 0.676 4.637 3.960 0.002 0.000 0.291 350 G C -1.691 173.216 174.900 0.012 0.000 1.471 350 G CA -0.576 44.536 45.100 0.019 0.000 0.798 350 G HN 0.603 nan 8.290 nan 0.000 0.504 351 R N -0.073 120.421 120.500 -0.010 0.000 2.664 351 R HA 0.725 5.066 4.340 0.002 0.000 0.266 351 R C -1.377 174.916 176.300 -0.011 0.000 1.046 351 R CA -1.012 55.080 56.100 -0.013 0.000 0.885 351 R CB 1.191 31.466 30.300 -0.042 0.000 1.254 351 R HN 1.036 nan 8.270 nan 0.000 0.465 352 K N 0.388 120.790 120.400 0.004 0.000 2.556 352 K HA 0.883 5.204 4.320 0.002 0.000 0.274 352 K C -1.662 174.949 176.600 0.019 0.000 0.966 352 K CA -0.916 55.381 56.287 0.016 0.000 0.865 352 K CB 2.571 35.086 32.500 0.025 0.000 1.444 352 K HN 0.834 nan 8.250 nan 0.000 0.433 353 A N 1.474 124.309 122.820 0.024 0.000 2.589 353 A HA 0.543 4.863 4.320 0.002 0.000 0.296 353 A C -2.537 175.062 177.584 0.025 0.000 1.062 353 A CA -1.224 50.826 52.037 0.021 0.000 0.686 353 A CB 1.462 20.463 19.000 0.001 0.000 1.282 353 A HN 0.587 nan 8.150 nan 0.000 0.404 354 P HA -0.058 nan 4.420 nan 0.000 0.216 354 P C 0.291 177.599 177.300 0.014 0.000 1.153 354 P CA 1.406 64.522 63.100 0.026 0.000 0.848 354 P CB 0.190 31.913 31.700 0.038 0.000 0.787 355 K N -0.475 119.927 120.400 0.004 0.000 3.135 355 K HA 0.245 4.566 4.320 0.002 0.000 0.210 355 K C -0.019 176.577 176.600 -0.007 0.000 1.176 355 K CA -0.206 56.077 56.287 -0.007 0.000 1.064 355 K CB 0.463 32.950 32.500 -0.022 0.000 1.009 355 K HN -0.073 nan 8.250 nan 0.000 0.472 356 S N 0.776 116.483 115.700 0.010 0.000 2.549 356 S HA 0.111 4.582 4.470 0.002 0.000 0.283 356 S C 0.980 175.598 174.600 0.030 0.000 1.320 356 S CA -0.437 57.779 58.200 0.028 0.000 1.058 356 S CB 0.394 63.634 63.200 0.065 0.000 0.882 356 S HN 0.434 nan 8.310 nan 0.000 0.498 357 L N 4.302 125.545 121.223 0.034 0.000 2.591 357 L HA 0.222 4.563 4.340 0.002 0.000 0.228 357 L C 0.271 177.177 176.870 0.061 0.000 1.133 357 L CA -0.145 54.708 54.840 0.023 0.000 0.880 357 L CB -0.364 41.697 42.059 0.003 0.000 1.033 357 L HN 0.699 nan 8.230 nan 0.000 0.450 358 Y N 1.862 122.144 120.300 -0.030 0.000 2.335 358 Y HA 0.332 4.883 4.550 0.001 0.000 0.331 358 Y C 0.103 175.990 175.900 -0.022 0.000 1.094 358 Y CA -0.662 57.423 58.100 -0.024 0.000 1.253 358 Y CB 0.420 38.868 38.460 -0.020 0.000 1.203 358 Y HN -0.061 nan 8.280 nan 0.000 0.508 359 R N 6.438 126.510 120.500 -0.715 0.000 2.468 359 R HA 0.061 4.402 4.340 0.002 0.000 0.302 359 R C 0.578 176.415 176.300 -0.772 0.000 1.041 359 R CA -0.394 55.349 56.100 -0.596 0.000 0.899 359 R CB 1.595 31.726 30.300 -0.281 0.000 1.167 359 R HN 0.977 nan 8.270 nan 0.000 0.483 360 Q N 1.187 120.508 119.800 -0.799 0.000 2.437 360 Q HA -0.137 4.204 4.340 0.002 0.000 0.210 360 Q C -0.291 175.569 176.000 -0.233 0.000 0.972 360 Q CA 1.778 57.322 55.803 -0.432 0.000 0.903 360 Q CB 0.182 28.840 28.738 -0.134 0.000 0.967 360 Q HN 0.424 nan 8.270 nan 0.000 0.486 361 D N 1.603 121.864 120.400 -0.233 0.000 2.190 361 D HA -0.163 4.478 4.640 0.002 0.000 0.200 361 D C 1.493 177.688 176.300 -0.175 0.000 0.992 361 D CA 1.284 55.185 54.000 -0.164 0.000 0.854 361 D CB -0.059 40.654 40.800 -0.145 0.000 0.936 361 D HN 0.361 nan 8.370 nan 0.000 0.462 362 L N 0.021 121.127 121.223 -0.194 0.000 2.567 362 L HA 0.098 4.439 4.340 0.002 0.000 0.225 362 L C 1.849 178.605 176.870 -0.190 0.000 1.119 362 L CA 0.080 54.815 54.840 -0.176 0.000 0.871 362 L CB 0.102 42.089 42.059 -0.120 0.000 1.036 362 L HN 0.090 nan 8.230 nan 0.000 0.459 363 V N -4.941 114.876 119.914 -0.161 0.000 3.048 363 V HA 0.184 4.305 4.120 0.002 0.000 0.241 363 V C 1.405 177.402 176.094 -0.162 0.000 1.129 363 V CA 0.172 62.402 62.300 -0.116 0.000 1.128 363 V CB -0.103 31.754 31.823 0.057 0.000 0.849 363 V HN 0.317 nan 8.190 nan 0.000 0.475 364 S N 0.790 116.442 115.700 -0.081 0.000 2.576 364 S HA 0.472 4.943 4.470 0.002 0.000 0.272 364 S C -0.535 174.008 174.600 -0.095 0.000 1.352 364 S CA -0.134 58.096 58.200 0.049 0.000 1.021 364 S CB 0.160 63.382 63.200 0.036 0.000 0.887 364 S HN 0.358 nan 8.310 nan 0.000 0.542 371 Y N -0.576 119.675 120.300 -0.080 0.000 3.051 371 Y HA 0.407 4.958 4.550 0.001 0.000 0.424 371 Y C -2.282 173.575 175.900 -0.072 0.000 1.104 371 Y CA -0.968 57.090 58.100 -0.071 0.000 1.317 371 Y CB -0.070 38.341 38.460 -0.080 0.000 1.703 371 Y HN 0.234 nan 8.280 nan 0.000 0.499 372 D N 0.438 120.765 120.400 -0.121 0.000 2.457 372 D HA 0.285 4.926 4.640 0.002 0.000 0.240 372 D C 0.500 176.703 176.300 -0.161 0.000 1.041 372 D CA -0.626 53.226 54.000 -0.247 0.000 0.861 372 D CB 1.904 42.651 40.800 -0.088 0.000 1.394 372 D HN 0.611 nan 8.370 nan 0.000 0.473 373 Q N 1.623 121.287 119.800 -0.227 0.000 2.231 373 Q HA -0.377 3.964 4.340 0.002 0.000 0.217 373 Q C 1.580 177.646 176.000 0.111 0.000 1.013 373 Q CA 2.068 57.847 55.803 -0.040 0.000 0.917 373 Q CB -0.608 28.112 28.738 -0.031 0.000 0.968 373 Q HN 0.779 nan 8.270 nan 0.000 0.414 374 K N 0.701 121.147 120.400 0.077 0.000 2.160 374 K HA -0.194 4.127 4.320 0.002 0.000 0.206 374 K C 1.370 178.049 176.600 0.132 0.000 1.047 374 K CA 1.582 57.924 56.287 0.091 0.000 0.930 374 K CB 0.023 32.557 32.500 0.058 0.000 0.720 374 K HN 0.097 nan 8.250 nan 0.000 0.450 375 D N 0.424 120.944 120.400 0.199 0.000 2.178 375 D HA -0.130 4.511 4.640 0.002 0.000 0.201 375 D C 1.733 178.114 176.300 0.134 0.000 0.980 375 D CA 1.206 55.306 54.000 0.166 0.000 0.842 375 D CB -0.123 40.799 40.800 0.203 0.000 0.948 375 D HN 0.397 nan 8.370 nan 0.000 0.472 376 A N 0.856 123.800 122.820 0.207 0.000 1.940 376 A HA -0.229 4.092 4.320 0.002 0.000 0.219 376 A C 2.110 179.814 177.584 0.200 0.000 1.176 376 A CA 1.755 53.900 52.037 0.179 0.000 0.631 376 A CB -0.516 18.625 19.000 0.234 0.000 0.814 376 A HN 0.286 nan 8.150 nan 0.000 0.446 377 E N -0.527 119.762 120.200 0.149 0.000 2.051 377 E HA -0.111 4.240 4.350 0.002 0.000 0.192 377 E C 2.095 178.758 176.600 0.104 0.000 0.991 377 E CA 1.068 57.536 56.400 0.113 0.000 0.799 377 E CB -0.451 29.297 29.700 0.081 0.000 0.748 377 E HN 0.494 nan 8.360 nan 0.000 0.449 378 G N 0.505 109.369 108.800 0.106 0.000 2.418 378 G HA2 -0.306 3.655 3.960 0.002 0.000 0.217 378 G HA3 -0.306 3.655 3.960 0.002 0.000 0.217 378 G C 1.365 176.326 174.900 0.101 0.000 1.158 378 G CA 0.732 45.882 45.100 0.084 0.000 0.771 378 G HN 0.386 nan 8.290 nan 0.000 0.545 379 F N 1.458 121.396 119.950 -0.021 0.000 2.095 379 F HA -0.130 4.398 4.527 0.002 0.000 0.298 379 F C 2.427 178.215 175.800 -0.019 0.000 1.104 379 F CA 1.231 59.209 58.000 -0.036 0.000 1.232 379 F CB -0.082 38.877 39.000 -0.069 0.000 0.987 379 F HN 0.020 nan 8.300 nan 0.000 0.475 380 I N 0.596 121.204 120.570 0.063 0.000 2.179 380 I HA -0.259 3.912 4.170 0.002 0.000 0.242 380 I C 2.300 178.363 176.117 -0.092 0.000 1.088 380 I CA 1.298 62.570 61.300 -0.048 0.000 1.357 380 I CB -1.408 36.632 38.000 0.068 0.000 1.051 380 I HN 0.147 nan 8.210 nan 0.000 0.409 381 K N 0.646 121.024 120.400 -0.037 0.000 2.032 381 K HA -0.129 4.192 4.320 0.002 0.000 0.209 381 K C 2.064 178.620 176.600 -0.073 0.000 1.048 381 K CA 1.218 57.482 56.287 -0.038 0.000 0.927 381 K CB -0.469 32.026 32.500 -0.009 0.000 0.712 381 K HN 0.253 nan 8.250 nan 0.000 0.441 382 I N 1.759 122.270 120.570 -0.099 0.000 2.252 382 I HA -0.212 3.959 4.170 0.002 0.000 0.245 382 I C 2.315 178.332 176.117 -0.168 0.000 1.102 382 I CA 1.233 62.465 61.300 -0.115 0.000 1.385 382 I CB -1.108 36.828 38.000 -0.106 0.000 1.064 382 I HN 0.214 nan 8.210 nan 0.000 0.414 383 Q N 0.543 120.172 119.800 -0.285 0.000 2.181 383 Q HA -0.101 4.240 4.340 0.002 0.000 0.205 383 Q C 2.246 178.144 176.000 -0.170 0.000 0.980 383 Q CA 1.744 57.367 55.803 -0.301 0.000 0.862 383 Q CB -0.280 28.164 28.738 -0.491 0.000 0.905 383 Q HN 0.557 nan 8.270 nan 0.000 0.429 384 A N 0.178 122.919 122.820 -0.131 0.000 2.132 384 A HA -0.029 4.292 4.320 0.002 0.000 0.213 384 A C 2.003 179.551 177.584 -0.059 0.000 1.154 384 A CA 0.160 52.150 52.037 -0.079 0.000 0.753 384 A CB -0.273 18.693 19.000 -0.056 0.000 0.826 384 A HN 0.275 nan 8.150 nan 0.000 0.469 385 L N 1.535 122.721 121.223 -0.062 0.000 1.978 385 L HA -0.283 4.058 4.340 0.002 0.000 0.218 385 L C 2.706 179.554 176.870 -0.037 0.000 1.075 385 L CA 2.824 57.637 54.840 -0.045 0.000 0.767 385 L CB -0.656 41.376 42.059 -0.045 0.000 0.890 385 L HN 0.627 nan 8.230 nan 0.000 0.434 386 R N -0.730 119.745 120.500 -0.042 0.000 2.152 386 R HA -0.158 4.183 4.340 0.002 0.000 0.232 386 R C 2.113 178.396 176.300 -0.028 0.000 1.117 386 R CA 1.879 57.959 56.100 -0.033 0.000 0.981 386 R CB -0.928 29.352 30.300 -0.035 0.000 0.870 386 R HN 0.471 nan 8.270 nan 0.000 0.451 387 L N 0.360 121.564 121.223 -0.032 0.000 2.072 387 L HA 0.009 4.349 4.340 0.002 0.000 0.205 387 L C 2.811 179.669 176.870 -0.020 0.000 1.079 387 L CA 1.227 56.052 54.840 -0.025 0.000 0.752 387 L CB -0.418 41.625 42.059 -0.027 0.000 0.906 387 L HN 0.167 nan 8.230 nan 0.000 0.436 388 R N -0.272 120.215 120.500 -0.021 0.000 2.081 388 R HA -0.110 4.231 4.340 0.002 0.000 0.235 388 R C 2.304 178.595 176.300 -0.014 0.000 1.131 388 R CA 1.128 57.219 56.100 -0.016 0.000 0.960 388 R CB -0.489 29.801 30.300 -0.017 0.000 0.856 388 R HN 0.150 nan 8.270 nan 0.000 0.436 389 V N 1.150 121.054 119.914 -0.016 0.000 2.287 389 V HA -0.299 3.822 4.120 0.002 0.000 0.248 389 V C 2.519 178.606 176.094 -0.012 0.000 1.053 389 V CA 1.928 64.219 62.300 -0.014 0.000 1.027 389 V CB -0.595 31.219 31.823 -0.015 0.000 0.646 389 V HN 0.344 nan 8.190 nan 0.000 0.447 390 R N 0.139 120.632 120.500 -0.013 0.000 2.083 390 R HA -0.207 4.134 4.340 0.002 0.000 0.237 390 R C 2.308 178.602 176.300 -0.009 0.000 1.137 390 R CA 1.884 57.978 56.100 -0.011 0.000 0.951 390 R CB -0.481 29.812 30.300 -0.012 0.000 0.851 390 R HN 0.491 nan 8.270 nan 0.000 0.434 391 A N 1.048 123.862 122.820 -0.009 0.000 1.902 391 A HA -0.132 4.189 4.320 0.002 0.000 0.217 391 A C 2.247 179.827 177.584 -0.006 0.000 1.181 391 A CA 1.275 53.308 52.037 -0.007 0.000 0.623 391 A CB -0.542 18.454 19.000 -0.007 0.000 0.818 391 A HN 0.353 nan 8.150 nan 0.000 0.443 392 L N -0.577 120.642 121.223 -0.007 0.000 2.046 392 L HA -0.161 4.180 4.340 0.002 0.000 0.208 392 L C 2.509 179.376 176.870 -0.005 0.000 1.077 392 L CA 1.081 55.917 54.840 -0.006 0.000 0.747 392 L CB -0.537 41.518 42.059 -0.006 0.000 0.896 392 L HN 0.247 nan 8.230 nan 0.000 0.432 393 V N -0.657 119.253 119.914 -0.006 0.000 2.427 393 V HA -0.205 3.916 4.120 0.002 0.000 0.248 393 V C 2.380 178.471 176.094 -0.005 0.000 1.051 393 V CA 1.424 63.721 62.300 -0.005 0.000 1.048 393 V CB -0.472 31.347 31.823 -0.006 0.000 0.666 393 V HN 0.411 nan 8.190 nan 0.000 0.456 394 E N -0.290 119.907 120.200 -0.005 0.000 2.338 394 E HA -0.036 4.315 4.350 0.002 0.000 0.197 394 E C 0.886 177.484 176.600 -0.003 0.000 1.007 394 E CA 0.145 56.543 56.400 -0.004 0.000 0.849 394 E CB -0.099 29.599 29.700 -0.004 0.000 0.774 394 E HN 0.562 nan 8.360 nan 0.000 0.506 395 R N 0.000 120.498 120.500 -0.003 0.000 2.786 395 R HA 0.000 4.341 4.340 0.002 0.000 0.208 395 R CA 0.000 56.098 56.100 -0.003 0.000 0.921 395 R CB 0.000 30.299 30.300 -0.002 0.000 0.687 395 R HN 0.000 nan 8.270 nan 0.000 0.535