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 3c04_1_A DATA FIRST_RESID 6 DATA SEQUENCE APTLPASIFR AYDIRGVVGD TLTAETAYWI GRAIGSESLA RGEPCVAVGR DATA SEQUENCE DGRLSGPELV KQLIQGLVDC GCQVSDVGMV PTPVLYYAAN VLEGKSGVML DATA SEQUENCE TGXHNPPDYN GFKIVVAGET LANEQIQALR ERIEKNDLAS GVGSVEQVDI DATA SEQUENCE LPRYFKQIRD DIAMAKPMKV VVDCGNGVAG VIAPQLIEAL GCSVIPLYCE DATA SEQUENCE VDGNFPNHHP DPGKPENLKD LIAKVKAENA DLGLAFDGDG DRVGVVTNTG DATA SEQUENCE TIIYPDRLLM LFAKDVVSRN PGADIIFDVK CTRRLIALIS GYGGRPVMWK DATA SEQUENCE TGHSLIKKKM KETGALLAGE MSGHVFFKER WFGFDDGIYS AARLLEILSQ DATA SEQUENCE DQRDSEHVFS AFGSDISTPE INITVTEDSK FAIIEALQRD AQWGEGNITT DATA SEQUENCE LDGVRVDYPK GWGLVRASNT TPVLVLRFEA DTEEELERIK TVFRNQLKAV DATA SEQUENCE DSSLPVPF 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 6 A HA 0.000 nan 4.320 nan 0.000 0.244 6 A C 0.000 177.214 177.584 -0.616 0.000 1.274 6 A CA 0.000 51.330 52.037 -1.179 0.000 0.836 6 A CB 0.000 18.184 19.000 -1.360 0.000 0.831 7 P HA 0.784 nan 4.420 nan 0.000 0.310 7 P C -0.083 177.106 177.300 -0.186 0.000 1.309 7 P CA 0.122 63.078 63.100 -0.241 0.000 0.769 7 P CB 0.525 32.169 31.700 -0.092 0.000 1.327 8 T N 0.400 114.905 114.554 -0.082 0.000 2.738 8 T HA 0.520 4.870 4.350 -0.001 0.000 0.298 8 T C -0.122 174.585 174.700 0.011 0.000 0.962 8 T CA -0.359 61.713 62.100 -0.047 0.000 0.972 8 T CB -0.518 68.331 68.868 -0.031 0.000 0.928 8 T HN 0.092 nan 8.240 nan 0.000 0.474 9 L N 5.222 126.467 121.223 0.036 0.000 2.357 9 L HA 0.496 4.836 4.340 -0.001 0.000 0.273 9 L C -1.673 175.284 176.870 0.144 0.000 1.080 9 L CA -1.891 53.029 54.840 0.134 0.000 0.803 9 L CB 1.184 43.388 42.059 0.241 0.000 1.174 9 L HN 0.491 nan 8.230 nan 0.000 0.443 10 P HA 0.107 nan 4.420 nan 0.000 0.271 10 P C -0.001 177.450 177.300 0.251 0.000 1.233 10 P CA -0.265 62.929 63.100 0.157 0.000 0.764 10 P CB 1.076 32.852 31.700 0.127 0.000 0.825 11 A N 3.786 126.713 122.820 0.177 0.000 2.070 11 A HA -0.163 4.156 4.320 -0.001 0.000 0.220 11 A C 2.121 179.873 177.584 0.280 0.000 1.159 11 A CA 1.813 53.971 52.037 0.201 0.000 0.656 11 A CB -1.153 17.883 19.000 0.060 0.000 0.800 11 A HN 0.627 nan 8.150 nan 0.000 0.453 12 S N 0.421 116.238 115.700 0.195 0.000 2.474 12 S HA -0.099 4.371 4.470 -0.001 0.000 0.235 12 S C 1.636 176.327 174.600 0.152 0.000 0.997 12 S CA 1.043 59.335 58.200 0.152 0.000 0.949 12 S CB -0.870 62.397 63.200 0.111 0.000 0.766 12 S HN 0.883 nan 8.310 nan 0.000 0.517 13 I N -3.271 117.398 120.570 0.164 0.000 3.578 13 I HA 0.391 4.561 4.170 -0.001 0.000 0.295 13 I C -0.404 175.661 176.117 -0.087 0.000 1.280 13 I CA -0.204 61.112 61.300 0.028 0.000 1.347 13 I CB -0.311 37.662 38.000 -0.045 0.000 1.051 13 I HN -0.001 nan 8.210 nan 0.000 0.460 14 F N 3.753 123.746 119.950 0.072 0.000 2.377 14 F HA 0.487 5.013 4.527 -0.000 0.000 0.360 14 F C 0.837 176.656 175.800 0.032 0.000 1.147 14 F CA -0.456 57.578 58.000 0.056 0.000 1.170 14 F CB 0.253 39.275 39.000 0.036 0.000 1.339 14 F HN -0.072 nan 8.300 nan 0.000 0.552 15 R N 0.982 121.554 120.500 0.120 0.000 2.719 15 R HA 0.674 5.013 4.340 -0.001 0.000 0.233 15 R C 1.236 177.502 176.300 -0.056 0.000 1.257 15 R CA -0.391 55.732 56.100 0.037 0.000 1.109 15 R CB 0.444 30.763 30.300 0.032 0.000 1.447 15 R HN 0.550 nan 8.270 nan 0.000 0.537 16 A N 0.392 123.057 122.820 -0.257 0.000 1.877 16 A HA -0.158 4.162 4.320 -0.001 0.000 0.216 16 A C 0.867 178.107 177.584 -0.573 0.000 1.186 16 A CA 1.564 53.248 52.037 -0.589 0.000 0.620 16 A CB -0.372 17.951 19.000 -1.128 0.000 0.822 16 A HN 0.689 nan 8.150 nan 0.000 0.443 17 Y N -0.615 119.752 120.300 0.111 0.000 2.626 17 Y HA 0.369 4.919 4.550 -0.001 0.000 0.248 17 Y C -0.249 175.794 175.900 0.239 0.000 1.147 17 Y CA -0.977 57.186 58.100 0.106 0.000 1.219 17 Y CB 0.189 38.671 38.460 0.037 0.000 1.279 17 Y HN 0.540 nan 8.280 nan 0.000 0.541 18 D N -1.130 119.424 120.400 0.258 0.000 2.713 18 D HA 0.399 5.038 4.640 -0.001 0.000 0.306 18 D C -1.261 175.128 176.300 0.148 0.000 1.299 18 D CA -0.584 53.565 54.000 0.248 0.000 0.823 18 D CB 0.835 41.797 40.800 0.269 0.000 1.353 18 D HN -0.071 nan 8.370 nan 0.000 0.447 19 I N -0.752 119.904 120.570 0.143 0.000 2.433 19 I HA 0.784 4.954 4.170 -0.001 0.000 0.292 19 I C -0.025 176.142 176.117 0.085 0.000 1.001 19 I CA -0.632 60.693 61.300 0.042 0.000 1.119 19 I CB 1.567 39.554 38.000 -0.021 0.000 1.289 19 I HN 0.696 nan 8.210 nan 0.000 0.438 20 R N 3.904 124.433 120.500 0.048 0.000 2.548 20 R HA 0.883 5.223 4.340 -0.001 0.000 0.280 20 R C -0.756 175.605 176.300 0.101 0.000 1.061 20 R CA -0.251 55.900 56.100 0.085 0.000 0.915 20 R CB 1.466 31.830 30.300 0.108 0.000 1.210 20 R HN 0.959 nan 8.270 nan 0.000 0.442 21 G N -0.256 108.605 108.800 0.102 0.000 2.721 21 G HA2 0.567 4.527 3.960 -0.001 0.000 0.296 21 G HA3 0.567 4.527 3.960 -0.001 0.000 0.296 21 G C -1.462 173.383 174.900 -0.092 0.000 1.383 21 G CA -0.229 44.898 45.100 0.046 0.000 0.788 21 G HN 0.875 nan 8.290 nan 0.000 0.500 22 V N 0.877 120.655 119.914 -0.227 0.000 2.383 22 V HA 0.334 4.453 4.120 -0.001 0.000 0.275 22 V C 0.538 176.528 176.094 -0.173 0.000 1.036 22 V CA -0.558 61.521 62.300 -0.369 0.000 0.889 22 V CB 1.192 32.756 31.823 -0.431 0.000 0.985 22 V HN 0.539 nan 8.190 nan 0.000 0.459 23 V N 4.930 124.757 119.914 -0.145 0.000 2.673 23 V HA 0.369 4.489 4.120 -0.001 0.000 0.303 23 V C 1.533 177.587 176.094 -0.067 0.000 1.046 23 V CA 1.307 63.560 62.300 -0.079 0.000 1.126 23 V CB 0.270 32.051 31.823 -0.070 0.000 0.934 23 V HN 1.273 nan 8.190 nan 0.000 0.487 24 G N 2.704 111.484 108.800 -0.034 0.000 2.184 24 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.264 24 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.264 24 G C 0.355 175.242 174.900 -0.022 0.000 0.975 24 G CA 0.601 45.686 45.100 -0.024 0.000 0.642 24 G HN 0.782 nan 8.290 nan 0.000 0.536 25 D N -1.038 119.344 120.400 -0.030 0.000 3.041 25 D HA 0.111 4.751 4.640 -0.001 0.000 0.201 25 D C 2.475 178.772 176.300 -0.004 0.000 1.432 25 D CA 1.822 55.805 54.000 -0.027 0.000 1.469 25 D CB -0.546 40.216 40.800 -0.063 0.000 1.051 25 D HN 0.345 nan 8.370 nan 0.000 0.203 26 T N -0.675 113.871 114.554 -0.013 0.000 3.081 26 T HA 0.194 4.544 4.350 -0.001 0.000 0.255 26 T C 0.753 175.475 174.700 0.037 0.000 1.113 26 T CA 0.030 62.142 62.100 0.020 0.000 1.082 26 T CB 0.336 69.216 68.868 0.019 0.000 0.939 26 T HN 0.057 nan 8.240 nan 0.000 0.506 27 L N 3.171 124.405 121.223 0.018 0.000 2.401 27 L HA 0.518 4.857 4.340 -0.001 0.000 0.263 27 L C -0.087 176.810 176.870 0.046 0.000 1.004 27 L CA -0.344 54.524 54.840 0.046 0.000 0.881 27 L CB 1.146 43.222 42.059 0.028 0.000 1.219 27 L HN 0.332 nan 8.230 nan 0.000 0.441 28 T N 0.515 115.115 114.554 0.077 0.000 2.923 28 T HA 0.692 5.041 4.350 -0.001 0.000 0.281 28 T C 1.368 176.124 174.700 0.093 0.000 0.995 28 T CA -0.158 61.983 62.100 0.068 0.000 0.985 28 T CB 1.369 70.278 68.868 0.069 0.000 1.114 28 T HN 0.511 nan 8.240 nan 0.000 0.548 29 A N 0.198 123.059 122.820 0.068 0.000 1.903 29 A HA -0.194 4.126 4.320 -0.001 0.000 0.219 29 A C 2.267 179.908 177.584 0.096 0.000 1.191 29 A CA 2.419 54.497 52.037 0.068 0.000 0.638 29 A CB -1.396 17.622 19.000 0.029 0.000 0.823 29 A HN 1.068 nan 8.150 nan 0.000 0.451 30 E N -0.947 119.313 120.200 0.101 0.000 2.085 30 E HA -0.176 4.174 4.350 -0.001 0.000 0.194 30 E C 1.973 178.745 176.600 0.287 0.000 0.994 30 E CA 1.839 58.330 56.400 0.151 0.000 0.801 30 E CB -0.359 29.456 29.700 0.191 0.000 0.743 30 E HN 0.532 nan 8.360 nan 0.000 0.453 31 T N 0.524 115.239 114.554 0.270 0.000 2.665 31 T HA -0.201 4.148 4.350 -0.001 0.000 0.268 31 T C 1.871 176.722 174.700 0.252 0.000 1.035 31 T CA 1.623 63.899 62.100 0.292 0.000 1.151 31 T CB -0.452 68.544 68.868 0.212 0.000 0.862 31 T HN 0.406 nan 8.240 nan 0.000 0.438 32 A N 0.266 123.225 122.820 0.232 0.000 1.930 32 A HA -0.069 4.251 4.320 -0.001 0.000 0.217 32 A C 2.066 179.715 177.584 0.109 0.000 1.175 32 A CA 1.505 53.699 52.037 0.262 0.000 0.627 32 A CB -0.972 18.241 19.000 0.355 0.000 0.815 32 A HN 0.634 nan 8.150 nan 0.000 0.443 33 Y N -1.028 119.242 120.300 -0.050 0.000 2.128 33 Y HA -0.270 4.279 4.550 -0.001 0.000 0.284 33 Y C 2.070 177.816 175.900 -0.257 0.000 1.154 33 Y CA 2.044 60.007 58.100 -0.228 0.000 1.149 33 Y CB -0.457 37.745 38.460 -0.429 0.000 0.976 33 Y HN 0.446 nan 8.280 nan 0.000 0.505 34 W N 0.018 121.346 121.300 0.046 0.000 2.436 34 W HA -0.077 4.583 4.660 -0.000 0.000 0.284 34 W C 2.235 178.680 176.519 -0.123 0.000 1.225 34 W CA 0.862 58.182 57.345 -0.042 0.000 1.271 34 W CB -0.270 29.261 29.460 0.117 0.000 1.114 34 W HN 0.039 nan 8.180 nan 0.000 0.559 35 I N 0.358 120.959 120.570 0.052 0.000 2.163 35 I HA -0.241 3.928 4.170 -0.001 0.000 0.243 35 I C 2.759 178.720 176.117 -0.261 0.000 1.085 35 I CA 1.724 62.927 61.300 -0.163 0.000 1.347 35 I CB -1.163 36.536 38.000 -0.501 0.000 1.044 35 I HN 0.071 nan 8.210 nan 0.000 0.408 36 G N 0.327 108.944 108.800 -0.305 0.000 2.469 36 G HA2 -0.335 3.624 3.960 -0.001 0.000 0.219 36 G HA3 -0.335 3.624 3.960 -0.001 0.000 0.219 36 G C 1.745 176.501 174.900 -0.240 0.000 1.150 36 G CA 1.006 45.949 45.100 -0.261 0.000 0.763 36 G HN 0.202 nan 8.290 nan 0.000 0.561 37 R N 0.752 121.069 120.500 -0.306 0.000 2.075 37 R HA 0.141 4.480 4.340 -0.001 0.000 0.232 37 R C 2.875 179.142 176.300 -0.056 0.000 1.126 37 R CA 1.683 57.656 56.100 -0.211 0.000 0.963 37 R CB -0.681 29.495 30.300 -0.208 0.000 0.858 37 R HN 0.271 nan 8.270 nan 0.000 0.435 38 A N 0.389 123.202 122.820 -0.012 0.000 1.873 38 A HA -0.103 4.216 4.320 -0.001 0.000 0.215 38 A C 2.228 179.804 177.584 -0.014 0.000 1.186 38 A CA 1.609 53.653 52.037 0.011 0.000 0.616 38 A CB -0.627 18.400 19.000 0.046 0.000 0.823 38 A HN 0.336 nan 8.150 nan 0.000 0.442 39 I N -0.183 120.360 120.570 -0.045 0.000 2.208 39 I HA -0.228 3.942 4.170 -0.001 0.000 0.245 39 I C 2.686 178.783 176.117 -0.033 0.000 1.097 39 I CA 1.210 62.487 61.300 -0.039 0.000 1.363 39 I CB -0.685 37.275 38.000 -0.067 0.000 1.051 39 I HN 0.404 nan 8.210 nan 0.000 0.413 40 G N 0.057 108.826 108.800 -0.052 0.000 2.418 40 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.217 40 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.217 40 G C 1.756 176.641 174.900 -0.024 0.000 1.158 40 G CA 0.960 46.035 45.100 -0.042 0.000 0.771 40 G HN 0.384 nan 8.290 nan 0.000 0.545 41 S N 0.563 116.252 115.700 -0.018 0.000 2.368 41 S HA -0.071 4.399 4.470 -0.001 0.000 0.224 41 S C 2.139 176.737 174.600 -0.003 0.000 1.029 41 S CA 1.420 59.617 58.200 -0.005 0.000 0.988 41 S CB -0.198 63.005 63.200 0.004 0.000 0.838 41 S HN 0.452 nan 8.310 nan 0.000 0.462 42 E N 1.838 122.036 120.200 -0.003 0.000 2.085 42 E HA -0.110 4.239 4.350 -0.001 0.000 0.194 42 E C 2.156 178.756 176.600 0.001 0.000 0.994 42 E CA 1.428 57.829 56.400 0.001 0.000 0.801 42 E CB -0.566 29.138 29.700 0.007 0.000 0.743 42 E HN 0.329 nan 8.360 nan 0.000 0.453 43 S N -0.870 114.829 115.700 -0.002 0.000 2.368 43 S HA -0.073 4.397 4.470 -0.001 0.000 0.225 43 S C 1.918 176.516 174.600 -0.003 0.000 1.030 43 S CA 1.138 59.337 58.200 -0.002 0.000 0.999 43 S CB -0.324 62.873 63.200 -0.004 0.000 0.844 43 S HN 0.353 nan 8.310 nan 0.000 0.459 44 L N 1.063 122.283 121.223 -0.005 0.000 2.083 44 L HA -0.079 4.261 4.340 -0.001 0.000 0.209 44 L C 2.845 179.714 176.870 -0.003 0.000 1.083 44 L CA 1.210 56.048 54.840 -0.004 0.000 0.752 44 L CB -0.597 41.459 42.059 -0.004 0.000 0.899 44 L HN 0.403 nan 8.230 nan 0.000 0.433 45 A N 0.032 122.851 122.820 -0.002 0.000 2.015 45 A HA -0.136 4.184 4.320 -0.001 0.000 0.219 45 A C 2.124 179.707 177.584 -0.002 0.000 1.163 45 A CA 1.125 53.161 52.037 -0.002 0.000 0.646 45 A CB -0.344 18.655 19.000 -0.001 0.000 0.806 45 A HN 0.388 nan 8.150 nan 0.000 0.448 46 R N -1.208 119.292 120.500 -0.001 0.000 2.388 46 R HA 0.271 4.611 4.340 -0.001 0.000 0.247 46 R C 1.016 177.315 176.300 -0.003 0.000 0.931 46 R CA 0.423 56.522 56.100 -0.002 0.000 1.082 46 R CB -0.033 30.267 30.300 0.000 0.000 1.135 46 R HN 0.590 nan 8.270 nan 0.000 0.525 47 G N 1.880 110.678 108.800 -0.003 0.000 2.143 47 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.248 47 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.248 47 G C -0.235 174.663 174.900 -0.005 0.000 0.991 47 G CA 0.241 45.338 45.100 -0.004 0.000 0.689 47 G HN 0.336 nan 8.290 nan 0.000 0.522 48 E N 0.507 120.704 120.200 -0.005 0.000 2.121 48 E HA 0.534 4.883 4.350 -0.001 0.000 0.255 48 E C -0.931 175.665 176.600 -0.007 0.000 0.906 48 E CA -2.418 53.978 56.400 -0.006 0.000 0.745 48 E CB 1.365 31.061 29.700 -0.006 0.000 1.155 48 E HN 0.156 nan 8.360 nan 0.000 0.424 49 P HA 0.029 nan 4.420 nan 0.000 0.231 49 P C -0.166 177.127 177.300 -0.011 0.000 1.168 49 P CA 0.045 63.140 63.100 -0.009 0.000 0.779 49 P CB 0.289 31.985 31.700 -0.008 0.000 0.844 50 C N 1.321 120.613 119.300 -0.012 0.000 2.285 50 C HA 0.506 4.966 4.460 -0.001 0.000 0.335 50 C C 0.298 175.278 174.990 -0.015 0.000 1.267 50 C CA -0.412 58.598 59.018 -0.015 0.000 1.762 50 C CB 0.335 28.065 27.740 -0.017 0.000 2.365 50 C HN 0.000 nan 8.230 nan 0.000 0.527 51 V N 3.302 123.207 119.914 -0.014 0.000 2.577 51 V HA 0.705 4.825 4.120 -0.001 0.000 0.303 51 V C 0.275 176.361 176.094 -0.012 0.000 1.042 51 V CA -0.440 61.853 62.300 -0.011 0.000 0.872 51 V CB 1.525 33.343 31.823 -0.008 0.000 0.998 51 V HN 1.002 nan 8.190 nan 0.000 0.423 52 A N 4.275 127.087 122.820 -0.015 0.000 2.327 52 A HA 0.842 5.161 4.320 -0.001 0.000 0.283 52 A C -0.516 177.064 177.584 -0.007 0.000 1.127 52 A CA -0.418 51.607 52.037 -0.019 0.000 0.810 52 A CB 1.056 20.034 19.000 -0.037 0.000 1.066 52 A HN 0.806 nan 8.150 nan 0.000 0.492 53 V N 1.640 121.548 119.914 -0.009 0.000 2.588 53 V HA 0.753 4.873 4.120 -0.001 0.000 0.304 53 V C 0.578 176.660 176.094 -0.020 0.000 1.042 53 V CA 0.083 62.383 62.300 0.001 0.000 0.877 53 V CB 1.700 33.532 31.823 0.014 0.000 0.996 53 V HN 1.286 nan 8.190 nan 0.000 0.425 54 G N 3.693 112.474 108.800 -0.032 0.000 2.605 54 G HA2 0.827 4.787 3.960 -0.001 0.000 0.296 54 G HA3 0.827 4.787 3.960 -0.001 0.000 0.296 54 G C -1.351 173.511 174.900 -0.064 0.000 1.304 54 G CA -0.931 44.134 45.100 -0.059 0.000 0.941 54 G HN 0.578 nan 8.290 nan 0.000 0.475 55 R N -0.066 120.390 120.500 -0.074 0.000 2.750 55 R HA 0.442 4.781 4.340 -0.001 0.000 0.281 55 R C -0.537 175.714 176.300 -0.082 0.000 0.972 55 R CA -0.820 55.233 56.100 -0.079 0.000 0.912 55 R CB 2.051 32.312 30.300 -0.065 0.000 1.187 55 R HN 0.738 nan 8.270 nan 0.000 0.464 56 D N 0.319 120.672 120.400 -0.078 0.000 2.403 56 D HA 0.094 4.734 4.640 -0.001 0.000 0.278 56 D C 0.774 177.050 176.300 -0.041 0.000 1.230 56 D CA -0.509 53.459 54.000 -0.054 0.000 1.062 56 D CB 0.069 40.851 40.800 -0.030 0.000 1.119 56 D HN 0.549 nan 8.370 nan 0.000 0.557 57 G N -1.261 107.532 108.800 -0.011 0.000 3.518 57 G HA2 0.117 4.077 3.960 -0.001 0.000 0.273 57 G HA3 0.117 4.077 3.960 -0.001 0.000 0.273 57 G C 0.341 175.198 174.900 -0.071 0.000 1.199 57 G CA -0.478 44.607 45.100 -0.026 0.000 0.899 57 G HN 0.179 nan 8.290 nan 0.000 0.533 58 R N -0.510 119.946 120.500 -0.074 0.000 2.679 58 R HA 0.333 4.672 4.340 -0.001 0.000 0.269 58 R C 1.343 177.559 176.300 -0.140 0.000 1.076 58 R CA -0.535 55.484 56.100 -0.135 0.000 1.160 58 R CB 0.888 31.139 30.300 -0.082 0.000 1.054 58 R HN 0.100 nan 8.270 nan 0.000 0.507 59 L N 0.612 121.733 121.223 -0.169 0.000 2.083 59 L HA -0.179 4.161 4.340 -0.001 0.000 0.209 59 L C 2.140 178.954 176.870 -0.095 0.000 1.083 59 L CA 1.559 56.319 54.840 -0.133 0.000 0.752 59 L CB -0.416 41.559 42.059 -0.140 0.000 0.899 59 L HN 0.729 nan 8.230 nan 0.000 0.433 60 S N -0.524 115.122 115.700 -0.090 0.000 2.603 60 S HA 0.029 4.498 4.470 -0.001 0.000 0.220 60 S C 1.927 176.486 174.600 -0.069 0.000 0.967 60 S CA 0.303 58.460 58.200 -0.072 0.000 0.920 60 S CB -0.204 62.953 63.200 -0.071 0.000 0.773 60 S HN 0.386 nan 8.310 nan 0.000 0.529 61 G N 3.165 111.919 108.800 -0.076 0.000 2.480 61 G HA2 -0.104 3.856 3.960 -0.001 0.000 0.216 61 G HA3 -0.104 3.856 3.960 -0.001 0.000 0.216 61 G C -0.696 174.172 174.900 -0.054 0.000 1.200 61 G CA 0.917 45.973 45.100 -0.073 0.000 0.782 61 G HN 0.533 nan 8.290 nan 0.000 0.554 62 P HA -0.008 nan 4.420 nan 0.000 0.218 62 P C 1.502 178.785 177.300 -0.028 0.000 1.149 62 P CA 1.450 64.528 63.100 -0.037 0.000 0.817 62 P CB 0.129 31.806 31.700 -0.038 0.000 0.785 63 E N -0.929 119.254 120.200 -0.029 0.000 2.075 63 E HA -0.073 4.277 4.350 -0.001 0.000 0.190 63 E C 1.807 178.401 176.600 -0.010 0.000 0.969 63 E CA 0.244 56.632 56.400 -0.020 0.000 0.815 63 E CB -0.473 29.213 29.700 -0.023 0.000 0.776 63 E HN -0.044 nan 8.360 nan 0.000 0.457 64 L N 1.106 122.320 121.223 -0.016 0.000 2.191 64 L HA -0.110 4.229 4.340 -0.001 0.000 0.212 64 L C 2.246 179.131 176.870 0.024 0.000 1.103 64 L CA 1.310 56.151 54.840 0.001 0.000 0.769 64 L CB -0.248 41.796 42.059 -0.025 0.000 0.908 64 L HN 0.215 nan 8.230 nan 0.000 0.438 65 V N -3.691 116.226 119.914 0.005 0.000 2.759 65 V HA -0.213 3.907 4.120 -0.001 0.000 0.256 65 V C 2.391 178.509 176.094 0.039 0.000 1.080 65 V CA 1.465 63.782 62.300 0.028 0.000 1.101 65 V CB -1.198 30.627 31.823 0.005 0.000 0.698 65 V HN 0.399 nan 8.190 nan 0.000 0.477 66 K N 0.036 120.451 120.400 0.025 0.000 2.103 66 K HA -0.166 4.154 4.320 -0.001 0.000 0.207 66 K C 2.433 179.061 176.600 0.047 0.000 1.048 66 K CA 1.741 58.043 56.287 0.024 0.000 0.930 66 K CB -0.232 32.274 32.500 0.010 0.000 0.716 66 K HN 0.475 nan 8.250 nan 0.000 0.444 67 Q N 0.604 120.444 119.800 0.067 0.000 2.079 67 Q HA -0.125 4.215 4.340 -0.001 0.000 0.200 67 Q C 2.243 178.304 176.000 0.102 0.000 0.974 67 Q CA 0.922 56.792 55.803 0.112 0.000 0.840 67 Q CB -0.456 28.354 28.738 0.119 0.000 0.898 67 Q HN 0.236 nan 8.270 nan 0.000 0.430 68 L N 0.734 122.022 121.223 0.108 0.000 1.989 68 L HA -0.139 4.200 4.340 -0.001 0.000 0.211 68 L C 2.139 179.015 176.870 0.009 0.000 1.071 68 L CA 1.594 56.486 54.840 0.088 0.000 0.749 68 L CB -0.703 41.507 42.059 0.252 0.000 0.890 68 L HN 0.114 nan 8.230 nan 0.000 0.431 69 I N -0.729 119.858 120.570 0.029 0.000 2.208 69 I HA -0.317 3.853 4.170 -0.001 0.000 0.245 69 I C 2.588 178.701 176.117 -0.007 0.000 1.097 69 I CA 1.536 62.840 61.300 0.006 0.000 1.363 69 I CB -0.372 37.636 38.000 0.013 0.000 1.051 69 I HN 0.423 nan 8.210 nan 0.000 0.413 70 Q N 1.216 121.031 119.800 0.025 0.000 2.084 70 Q HA -0.137 4.203 4.340 -0.001 0.000 0.202 70 Q C 2.124 178.113 176.000 -0.017 0.000 0.978 70 Q CA 2.074 57.914 55.803 0.061 0.000 0.844 70 Q CB -0.701 28.121 28.738 0.139 0.000 0.898 70 Q HN 0.496 nan 8.270 nan 0.000 0.426 71 G N 0.479 109.140 108.800 -0.232 0.000 2.491 71 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.218 71 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.218 71 G C 1.342 176.039 174.900 -0.338 0.000 1.180 71 G CA 1.151 45.840 45.100 -0.685 0.000 0.774 71 G HN 0.390 nan 8.290 nan 0.000 0.562 72 L N 0.008 121.123 121.223 -0.182 0.000 1.994 72 L HA -0.106 4.234 4.340 -0.001 0.000 0.208 72 L C 3.055 179.882 176.870 -0.071 0.000 1.071 72 L CA 0.659 55.436 54.840 -0.105 0.000 0.745 72 L CB -0.695 41.327 42.059 -0.062 0.000 0.892 72 L HN 0.098 nan 8.230 nan 0.000 0.431 73 V N -0.140 119.744 119.914 -0.050 0.000 2.324 73 V HA -0.331 3.789 4.120 -0.001 0.000 0.250 73 V C 1.877 177.961 176.094 -0.018 0.000 1.060 73 V CA 2.012 64.298 62.300 -0.023 0.000 1.042 73 V CB -0.578 31.241 31.823 -0.006 0.000 0.650 73 V HN 0.452 nan 8.190 nan 0.000 0.450 74 D N -1.262 119.124 120.400 -0.023 0.000 2.378 74 D HA -0.094 4.546 4.640 -0.001 0.000 0.222 74 D C 1.838 178.133 176.300 -0.009 0.000 0.980 74 D CA 0.868 54.869 54.000 0.002 0.000 0.907 74 D CB -0.248 40.579 40.800 0.044 0.000 0.899 74 D HN 0.481 nan 8.370 nan 0.000 0.527 75 C N -1.058 118.222 119.300 -0.034 0.000 2.533 75 C HA 0.352 4.812 4.460 -0.001 0.000 0.272 75 C C 1.937 176.922 174.990 -0.008 0.000 1.371 75 C CA 0.605 59.611 59.018 -0.020 0.000 1.758 75 C CB -0.338 27.380 27.740 -0.037 0.000 1.972 75 C HN 0.539 nan 8.230 nan 0.000 0.522 76 G N -0.931 107.863 108.800 -0.009 0.000 2.184 76 G HA2 -0.204 3.756 3.960 -0.001 0.000 0.206 76 G HA3 -0.204 3.756 3.960 -0.001 0.000 0.206 76 G C 0.064 174.958 174.900 -0.009 0.000 0.995 76 G CA -0.008 45.089 45.100 -0.005 0.000 0.651 76 G HN 0.449 nan 8.290 nan 0.000 0.511 77 C N 1.393 120.683 119.300 -0.015 0.000 2.652 77 C HA 0.501 4.960 4.460 -0.001 0.000 0.412 77 C C 0.967 175.950 174.990 -0.013 0.000 1.294 77 C CA -0.022 58.987 59.018 -0.016 0.000 2.127 77 C CB 0.620 28.347 27.740 -0.023 0.000 2.691 77 C HN 0.576 nan 8.230 nan 0.000 0.615 78 Q N 1.517 121.310 119.800 -0.012 0.000 2.377 78 Q HA 0.419 4.758 4.340 -0.001 0.000 0.249 78 Q C -0.676 175.317 176.000 -0.012 0.000 1.005 78 Q CA -0.170 55.627 55.803 -0.011 0.000 0.912 78 Q CB 0.885 29.617 28.738 -0.010 0.000 1.223 78 Q HN 0.566 nan 8.270 nan 0.000 0.459 79 V N 2.247 122.154 119.914 -0.011 0.000 2.465 79 V HA 0.229 4.348 4.120 -0.001 0.000 0.279 79 V C 0.002 176.090 176.094 -0.011 0.000 1.045 79 V CA -0.377 61.916 62.300 -0.011 0.000 0.938 79 V CB 1.779 33.596 31.823 -0.010 0.000 0.986 79 V HN 0.672 nan 8.190 nan 0.000 0.467 80 S N 3.106 118.799 115.700 -0.013 0.000 2.448 80 S HA 0.250 4.720 4.470 -0.001 0.000 0.320 80 S C -0.466 174.126 174.600 -0.013 0.000 1.071 80 S CA -0.484 57.708 58.200 -0.014 0.000 1.113 80 S CB 0.644 63.833 63.200 -0.019 0.000 0.972 80 S HN 0.834 nan 8.310 nan 0.000 0.465 81 D N 2.978 123.372 120.400 -0.011 0.000 2.380 81 D HA 0.159 4.798 4.640 -0.001 0.000 0.230 81 D C 1.033 177.324 176.300 -0.015 0.000 1.154 81 D CA -0.587 53.406 54.000 -0.012 0.000 0.859 81 D CB 0.950 41.744 40.800 -0.010 0.000 1.045 81 D HN 0.329 nan 8.370 nan 0.000 0.495 82 V N 2.129 122.030 119.914 -0.021 0.000 3.623 82 V HA 0.426 4.546 4.120 -0.001 0.000 0.271 82 V C 1.223 177.299 176.094 -0.031 0.000 1.248 82 V CA 0.656 62.942 62.300 -0.024 0.000 1.156 82 V CB -0.890 30.916 31.823 -0.029 0.000 0.870 82 V HN 0.700 nan 8.190 nan 0.000 0.453 83 G N 0.834 109.615 108.800 -0.031 0.000 2.525 83 G HA2 -0.335 3.625 3.960 -0.001 0.000 0.248 83 G HA3 -0.335 3.625 3.960 -0.001 0.000 0.248 83 G C -0.162 174.710 174.900 -0.047 0.000 1.238 83 G CA 0.214 45.294 45.100 -0.034 0.000 0.926 83 G HN 0.744 nan 8.290 nan 0.000 0.574 84 M N 1.311 120.882 119.600 -0.048 0.000 2.143 84 M HA 0.525 5.004 4.480 -0.001 0.000 0.348 84 M C 0.300 176.558 176.300 -0.070 0.000 1.375 84 M CA -0.370 54.896 55.300 -0.057 0.000 1.124 84 M CB 0.074 32.644 32.600 -0.049 0.000 1.669 84 M HN 1.442 nan 8.290 nan 0.000 0.469 85 V N 3.372 123.231 119.914 -0.092 0.000 3.147 85 V HA 0.754 4.874 4.120 -0.001 0.000 0.306 85 V C -2.983 173.020 176.094 -0.151 0.000 1.209 85 V CA -2.180 60.045 62.300 -0.126 0.000 1.023 85 V CB 1.457 33.192 31.823 -0.147 0.000 1.059 85 V HN 0.627 nan 8.190 nan 0.000 0.435 86 P HA 0.236 nan 4.420 nan 0.000 0.270 86 P C 0.977 178.130 177.300 -0.246 0.000 1.223 86 P CA 0.317 63.305 63.100 -0.187 0.000 0.785 86 P CB 0.479 32.062 31.700 -0.196 0.000 0.923 87 T N 2.944 117.351 114.554 -0.246 0.000 2.665 87 T HA -0.097 4.252 4.350 -0.001 0.000 0.268 87 T C -0.793 173.517 174.700 -0.650 0.000 1.035 87 T CA 2.291 64.140 62.100 -0.419 0.000 1.151 87 T CB -1.647 67.004 68.868 -0.361 0.000 0.862 87 T HN 0.581 nan 8.240 nan 0.000 0.438 88 P HA 0.049 nan 4.420 nan 0.000 0.222 88 P C 1.435 178.584 177.300 -0.252 0.000 1.147 88 P CA 0.676 63.665 63.100 -0.185 0.000 0.790 88 P CB -0.190 31.730 31.700 0.367 0.000 0.780 89 V N 0.658 120.352 119.914 -0.367 0.000 2.719 89 V HA -0.132 3.987 4.120 -0.001 0.000 0.252 89 V C 2.570 178.530 176.094 -0.225 0.000 1.065 89 V CA 1.002 63.038 62.300 -0.440 0.000 1.086 89 V CB -1.000 30.449 31.823 -0.624 0.000 0.700 89 V HN 0.092 nan 8.190 nan 0.000 0.467 90 L N -0.342 120.703 121.223 -0.295 0.000 2.044 90 L HA -0.146 4.194 4.340 -0.001 0.000 0.205 90 L C 2.418 179.169 176.870 -0.199 0.000 1.075 90 L CA 2.209 56.913 54.840 -0.227 0.000 0.747 90 L CB -0.850 41.061 42.059 -0.247 0.000 0.903 90 L HN 0.364 nan 8.230 nan 0.000 0.435 91 Y N -1.340 118.711 120.300 -0.414 0.000 2.207 91 Y HA -0.368 4.182 4.550 -0.001 0.000 0.287 91 Y C 2.683 178.146 175.900 -0.728 0.000 1.156 91 Y CA 1.368 59.063 58.100 -0.675 0.000 1.182 91 Y CB -0.478 37.215 38.460 -1.278 0.000 0.979 91 Y HN 0.247 nan 8.280 nan 0.000 0.521 92 Y N 0.635 120.570 120.300 -0.609 0.000 2.145 92 Y HA -0.300 4.250 4.550 -0.001 0.000 0.286 92 Y C 2.426 178.146 175.900 -0.300 0.000 1.145 92 Y CA 1.102 58.977 58.100 -0.374 0.000 1.148 92 Y CB -0.640 37.808 38.460 -0.020 0.000 0.981 92 Y HN 0.049 nan 8.280 nan 0.000 0.507 93 A N 0.634 123.335 122.820 -0.199 0.000 1.902 93 A HA -0.109 4.211 4.320 -0.001 0.000 0.217 93 A C 2.301 179.748 177.584 -0.229 0.000 1.181 93 A CA 1.742 53.653 52.037 -0.210 0.000 0.623 93 A CB -1.513 17.439 19.000 -0.080 0.000 0.818 93 A HN 0.611 nan 8.150 nan 0.000 0.443 94 A N -0.803 121.911 122.820 -0.178 0.000 2.248 94 A HA -0.058 4.262 4.320 -0.001 0.000 0.210 94 A C 1.688 179.174 177.584 -0.163 0.000 1.174 94 A CA 1.219 53.179 52.037 -0.127 0.000 0.750 94 A CB -0.443 18.523 19.000 -0.055 0.000 0.780 94 A HN 0.592 nan 8.150 nan 0.000 0.478 95 N N -0.991 117.529 118.700 -0.299 0.000 2.397 95 N HA 0.012 4.752 4.740 -0.001 0.000 0.190 95 N C 1.427 176.746 175.510 -0.317 0.000 1.099 95 N CA 1.442 54.309 53.050 -0.304 0.000 0.876 95 N CB 0.912 39.101 38.487 -0.496 0.000 1.143 95 N HN 0.486 nan 8.380 nan 0.000 0.468 96 V N -1.845 117.800 119.914 -0.449 0.000 3.635 96 V HA 0.365 4.485 4.120 -0.001 0.000 0.266 96 V C 1.081 177.057 176.094 -0.197 0.000 1.316 96 V CA -0.022 62.070 62.300 -0.348 0.000 1.060 96 V CB 0.050 31.539 31.823 -0.556 0.000 0.820 96 V HN -0.112 nan 8.190 nan 0.000 0.447 97 L N 0.377 121.490 121.223 -0.184 0.000 2.482 97 L HA 0.537 4.877 4.340 -0.001 0.000 0.242 97 L C 2.480 179.306 176.870 -0.073 0.000 1.210 97 L CA 0.620 55.398 54.840 -0.104 0.000 0.819 97 L CB 0.124 42.130 42.059 -0.089 0.000 1.203 97 L HN 0.337 nan 8.230 nan 0.000 0.495 98 E N 0.925 121.097 120.200 -0.048 0.000 2.038 98 E HA -0.032 4.317 4.350 -0.001 0.000 0.195 98 E C 1.050 177.630 176.600 -0.034 0.000 1.000 98 E CA 1.088 57.468 56.400 -0.034 0.000 0.803 98 E CB -0.984 28.702 29.700 -0.023 0.000 0.750 98 E HN 0.823 nan 8.360 nan 0.000 0.448 99 G N -0.542 108.237 108.800 -0.035 0.000 2.539 99 G HA2 0.394 4.354 3.960 -0.001 0.000 0.258 99 G HA3 0.394 4.354 3.960 -0.001 0.000 0.258 99 G C 0.380 175.257 174.900 -0.038 0.000 1.202 99 G CA -0.188 44.894 45.100 -0.030 0.000 0.851 99 G HN 0.132 nan 8.290 nan 0.000 0.556 100 K N 0.376 120.759 120.400 -0.027 0.000 2.397 100 K HA 0.202 4.521 4.320 -0.001 0.000 0.202 100 K C 0.520 177.110 176.600 -0.015 0.000 1.022 100 K CA -0.043 56.228 56.287 -0.026 0.000 1.141 100 K CB 0.724 33.214 32.500 -0.016 0.000 0.857 100 K HN 0.261 nan 8.250 nan 0.000 0.514 101 S N 0.236 115.929 115.700 -0.012 0.000 2.525 101 S HA 0.711 5.181 4.470 -0.001 0.000 0.290 101 S C 0.105 174.708 174.600 0.005 0.000 1.152 101 S CA -0.655 57.546 58.200 0.002 0.000 1.072 101 S CB 1.926 65.127 63.200 0.003 0.000 1.027 101 S HN 0.355 nan 8.310 nan 0.000 0.500 102 G N 0.820 109.638 108.800 0.031 0.000 2.753 102 G HA2 0.573 4.533 3.960 -0.001 0.000 0.297 102 G HA3 0.573 4.533 3.960 -0.001 0.000 0.297 102 G C -1.668 173.280 174.900 0.080 0.000 1.430 102 G CA -0.445 44.681 45.100 0.042 0.000 1.040 102 G HN 0.619 nan 8.290 nan 0.000 0.530 103 V N 2.171 122.128 119.914 0.072 0.000 2.540 103 V HA 0.660 4.779 4.120 -0.001 0.000 0.302 103 V C -0.307 175.841 176.094 0.090 0.000 1.035 103 V CA -0.821 61.551 62.300 0.119 0.000 0.873 103 V CB 1.713 33.622 31.823 0.144 0.000 0.992 103 V HN 0.816 nan 8.190 nan 0.000 0.428 104 M N 5.658 125.315 119.600 0.094 0.000 2.101 104 M HA 0.558 5.038 4.480 -0.001 0.000 0.340 104 M C -1.108 175.184 176.300 -0.013 0.000 1.057 104 M CA -0.770 54.527 55.300 -0.004 0.000 0.984 104 M CB 1.173 33.716 32.600 -0.095 0.000 1.560 104 M HN 0.614 nan 8.290 nan 0.000 0.435 105 L N 5.585 126.757 121.223 -0.085 0.000 2.385 105 L HA 0.566 4.905 4.340 -0.001 0.000 0.285 105 L C -0.620 176.123 176.870 -0.212 0.000 1.125 105 L CA 0.756 55.438 54.840 -0.262 0.000 0.890 105 L CB 0.012 41.931 42.059 -0.233 0.000 1.251 105 L HN 0.866 nan 8.230 nan 0.000 0.445 106 T N 2.589 117.017 114.554 -0.210 0.000 2.894 106 T HA 0.806 5.155 4.350 -0.001 0.000 0.309 106 T C -0.241 174.402 174.700 -0.096 0.000 1.208 106 T CA -0.054 61.974 62.100 -0.120 0.000 1.016 106 T CB 1.261 70.083 68.868 -0.078 0.000 1.192 106 T HN 0.657 nan 8.240 nan 0.000 0.491 110 N N 3.256 121.633 118.700 -0.539 0.000 2.424 110 N HA 0.237 4.976 4.740 -0.001 0.000 0.257 110 N C -2.312 173.057 175.510 -0.235 0.000 1.250 110 N CA -1.286 51.459 53.050 -0.510 0.000 0.946 110 N CB 0.650 38.726 38.487 -0.684 0.000 1.175 110 N HN 0.161 nan 8.380 nan 0.000 0.477 111 P HA 0.066 nan 4.420 nan 0.000 0.268 111 P C -1.641 175.794 177.300 0.225 0.000 1.208 111 P CA -0.676 62.459 63.100 0.059 0.000 0.777 111 P CB -0.021 31.868 31.700 0.315 0.000 0.875 112 P HA -0.235 nan 4.420 nan 0.000 0.218 112 P C 0.680 177.996 177.300 0.026 0.000 1.152 112 P CA 1.656 64.763 63.100 0.012 0.000 0.857 112 P CB -0.087 31.553 31.700 -0.099 0.000 0.787 113 D N -3.094 117.347 120.400 0.067 0.000 2.347 113 D HA -0.040 4.599 4.640 -0.001 0.000 0.215 113 D C 0.376 176.618 176.300 -0.096 0.000 0.976 113 D CA 0.524 54.496 54.000 -0.046 0.000 0.884 113 D CB -0.422 40.314 40.800 -0.108 0.000 0.915 113 D HN 0.234 nan 8.370 nan 0.000 0.526 114 Y N 0.660 120.943 120.300 -0.030 0.000 2.309 114 Y HA 0.287 4.836 4.550 -0.001 0.000 0.327 114 Y C 1.163 177.024 175.900 -0.064 0.000 1.172 114 Y CA 0.012 58.087 58.100 -0.041 0.000 1.280 114 Y CB 0.681 39.114 38.460 -0.044 0.000 1.234 114 Y HN -0.236 nan 8.280 nan 0.000 0.512 115 N N -0.388 118.345 118.700 0.055 0.000 3.316 115 N HA 0.744 5.484 4.740 -0.001 0.000 0.300 115 N C -0.588 174.858 175.510 -0.107 0.000 1.567 115 N CA 0.119 53.136 53.050 -0.054 0.000 0.821 115 N CB 2.172 40.580 38.487 -0.131 0.000 1.748 115 N HN 0.814 nan 8.380 nan 0.000 0.603 116 G N -0.720 107.896 108.800 -0.305 0.000 2.336 116 G HA2 0.392 4.351 3.960 -0.001 0.000 0.286 116 G HA3 0.392 4.351 3.960 -0.001 0.000 0.286 116 G C -2.190 172.319 174.900 -0.652 0.000 1.269 116 G CA -0.653 44.226 45.100 -0.368 0.000 0.873 116 G HN 0.270 nan 8.290 nan 0.000 0.494 117 F N 0.564 120.520 119.950 0.011 0.000 2.547 117 F HA 0.658 5.185 4.527 -0.001 0.000 0.316 117 F C 0.212 176.058 175.800 0.077 0.000 1.121 117 F CA -0.725 57.291 58.000 0.027 0.000 0.911 117 F CB 2.759 41.765 39.000 0.010 0.000 1.179 117 F HN 0.178 nan 8.300 nan 0.000 0.443 118 K N 4.094 124.642 120.400 0.247 0.000 2.244 118 K HA 0.767 5.086 4.320 -0.001 0.000 0.260 118 K C -1.161 175.617 176.600 0.296 0.000 0.951 118 K CA -0.519 55.939 56.287 0.286 0.000 0.826 118 K CB 2.105 34.755 32.500 0.251 0.000 1.108 118 K HN 0.529 nan 8.250 nan 0.000 0.433 119 I N 2.607 123.352 120.570 0.291 0.000 2.466 119 I HA 0.309 4.478 4.170 -0.001 0.000 0.289 119 I C -0.876 175.347 176.117 0.175 0.000 1.026 119 I CA -1.183 60.243 61.300 0.210 0.000 1.078 119 I CB 1.986 40.080 38.000 0.157 0.000 1.249 119 I HN 0.158 nan 8.210 nan 0.000 0.429 120 V N 6.867 126.864 119.914 0.139 0.000 2.448 120 V HA 0.470 4.590 4.120 -0.001 0.000 0.295 120 V C -0.273 175.854 176.094 0.055 0.000 1.025 120 V CA -0.674 61.675 62.300 0.082 0.000 0.859 120 V CB 2.157 34.018 31.823 0.065 0.000 0.988 120 V HN 0.428 nan 8.190 nan 0.000 0.431 121 V N 3.790 123.727 119.914 0.038 0.000 2.444 121 V HA 0.672 4.791 4.120 -0.001 0.000 0.294 121 V C 0.611 176.714 176.094 0.014 0.000 1.022 121 V CA -0.238 62.076 62.300 0.024 0.000 0.850 121 V CB 1.315 33.152 31.823 0.024 0.000 0.992 121 V HN 1.298 nan 8.190 nan 0.000 0.426 122 A N 4.195 127.019 122.820 0.007 0.000 2.511 122 A HA 0.046 4.365 4.320 -0.001 0.000 0.297 122 A C 1.810 179.395 177.584 0.002 0.000 1.476 122 A CA 1.452 53.490 52.037 0.001 0.000 0.757 122 A CB -1.462 17.538 19.000 0.001 0.000 1.072 122 A HN 2.648 nan 8.150 nan 0.000 0.413 123 G N -1.551 107.250 108.800 0.003 0.000 2.267 123 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.257 123 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.257 123 G C 0.027 174.930 174.900 0.005 0.000 0.998 123 G CA 1.275 46.378 45.100 0.005 0.000 0.620 123 G HN 1.947 nan 8.290 nan 0.000 0.529 124 E N 1.747 121.950 120.200 0.006 0.000 2.115 124 E HA 0.585 4.935 4.350 -0.001 0.000 0.282 124 E C 0.217 176.828 176.600 0.018 0.000 0.987 124 E CA -0.157 56.248 56.400 0.007 0.000 0.797 124 E CB 0.525 30.230 29.700 0.009 0.000 1.086 124 E HN 0.135 nan 8.360 nan 0.000 0.397 125 T N 5.468 120.029 114.554 0.011 0.000 2.799 125 T HA 0.206 4.555 4.350 -0.001 0.000 0.296 125 T C 0.286 175.013 174.700 0.045 0.000 0.947 125 T CA -0.291 61.829 62.100 0.033 0.000 1.141 125 T CB 0.055 68.928 68.868 0.009 0.000 0.891 125 T HN 0.385 nan 8.240 nan 0.000 0.533 126 L N 2.558 123.831 121.223 0.083 0.000 2.395 126 L HA 0.684 5.024 4.340 -0.001 0.000 0.269 126 L C 0.541 177.474 176.870 0.104 0.000 1.133 126 L CA -0.632 54.259 54.840 0.085 0.000 0.812 126 L CB 0.625 42.742 42.059 0.096 0.000 1.125 126 L HN 0.734 nan 8.230 nan 0.000 0.452 127 A N 1.614 124.495 122.820 0.101 0.000 2.594 127 A HA 0.578 4.898 4.320 -0.001 0.000 0.291 127 A C -0.060 177.574 177.584 0.083 0.000 1.105 127 A CA -0.638 51.481 52.037 0.137 0.000 0.694 127 A CB 1.385 20.513 19.000 0.213 0.000 1.291 127 A HN 0.799 nan 8.150 nan 0.000 0.410 128 N N -0.035 118.687 118.700 0.035 0.000 1.414 128 N HA -0.309 4.430 4.740 -0.001 0.000 0.142 128 N C 1.136 176.658 175.510 0.020 0.000 0.587 128 N CA 2.160 55.212 53.050 0.003 0.000 1.068 128 N CB -0.836 37.661 38.487 0.016 0.000 1.317 128 N HN 0.935 nan 8.380 nan 0.000 0.463 129 E N 1.672 121.883 120.200 0.017 0.000 2.150 129 E HA -0.072 4.277 4.350 -0.001 0.000 0.193 129 E C 1.940 178.551 176.600 0.017 0.000 0.985 129 E CA 1.902 58.308 56.400 0.009 0.000 0.814 129 E CB -0.244 29.457 29.700 0.003 0.000 0.752 129 E HN 0.540 nan 8.360 nan 0.000 0.466 130 Q N -0.378 119.441 119.800 0.032 0.000 2.170 130 Q HA -0.100 4.240 4.340 -0.001 0.000 0.203 130 Q C 2.175 178.210 176.000 0.058 0.000 0.976 130 Q CA 1.482 57.309 55.803 0.039 0.000 0.858 130 Q CB -0.079 28.687 28.738 0.046 0.000 0.907 130 Q HN 0.410 nan 8.270 nan 0.000 0.433 131 I N 0.211 120.831 120.570 0.083 0.000 2.333 131 I HA -0.219 3.950 4.170 -0.001 0.000 0.246 131 I C 2.151 178.347 176.117 0.132 0.000 1.106 131 I CA 0.585 61.973 61.300 0.146 0.000 1.411 131 I CB -0.185 37.921 38.000 0.176 0.000 1.082 131 I HN 0.178 nan 8.210 nan 0.000 0.420 132 Q N 0.904 120.733 119.800 0.049 0.000 2.181 132 Q HA -0.174 4.165 4.340 -0.001 0.000 0.205 132 Q C 2.389 178.325 176.000 -0.107 0.000 0.980 132 Q CA 1.771 57.538 55.803 -0.059 0.000 0.862 132 Q CB -0.624 28.086 28.738 -0.047 0.000 0.905 132 Q HN 0.554 nan 8.270 nan 0.000 0.429 133 A N 0.544 123.336 122.820 -0.047 0.000 2.019 133 A HA -0.123 4.197 4.320 -0.001 0.000 0.219 133 A C 2.207 179.757 177.584 -0.056 0.000 1.164 133 A CA 0.941 52.949 52.037 -0.048 0.000 0.644 133 A CB -0.560 18.429 19.000 -0.018 0.000 0.805 133 A HN 0.323 nan 8.150 nan 0.000 0.449 134 L N -1.302 119.904 121.223 -0.029 0.000 2.044 134 L HA -0.122 4.217 4.340 -0.001 0.000 0.205 134 L C 2.738 179.546 176.870 -0.103 0.000 1.075 134 L CA 1.631 56.474 54.840 0.005 0.000 0.747 134 L CB -0.487 41.656 42.059 0.141 0.000 0.903 134 L HN 0.454 nan 8.230 nan 0.000 0.435 135 R N 0.550 120.808 120.500 -0.403 0.000 2.091 135 R HA -0.230 4.109 4.340 -0.001 0.000 0.238 135 R C 2.211 178.295 176.300 -0.360 0.000 1.136 135 R CA 1.846 57.495 56.100 -0.751 0.000 0.959 135 R CB -0.163 29.317 30.300 -1.368 0.000 0.856 135 R HN 0.345 nan 8.270 nan 0.000 0.437 136 E N 0.023 120.069 120.200 -0.257 0.000 2.110 136 E HA -0.196 4.154 4.350 -0.001 0.000 0.193 136 E C 2.073 178.602 176.600 -0.118 0.000 0.988 136 E CA 1.030 57.333 56.400 -0.162 0.000 0.804 136 E CB 0.133 29.761 29.700 -0.120 0.000 0.745 136 E HN 0.364 nan 8.360 nan 0.000 0.458 137 R N 0.073 120.515 120.500 -0.096 0.000 2.081 137 R HA -0.126 4.213 4.340 -0.001 0.000 0.235 137 R C 2.466 178.726 176.300 -0.067 0.000 1.131 137 R CA 1.394 57.459 56.100 -0.059 0.000 0.960 137 R CB -0.333 29.951 30.300 -0.027 0.000 0.856 137 R HN 0.264 nan 8.270 nan 0.000 0.436 138 I N 0.929 121.452 120.570 -0.079 0.000 2.113 138 I HA -0.269 3.901 4.170 -0.001 0.000 0.238 138 I C 2.184 178.194 176.117 -0.177 0.000 1.070 138 I CA 1.531 62.766 61.300 -0.108 0.000 1.332 138 I CB -0.387 37.577 38.000 -0.060 0.000 1.044 138 I HN 0.185 nan 8.210 nan 0.000 0.402 139 E N 0.891 120.994 120.200 -0.162 0.000 2.070 139 E HA -0.269 4.080 4.350 -0.001 0.000 0.197 139 E C 2.094 178.619 176.600 -0.125 0.000 1.004 139 E CA 1.413 57.725 56.400 -0.148 0.000 0.805 139 E CB -0.099 29.519 29.700 -0.136 0.000 0.744 139 E HN 0.355 nan 8.360 nan 0.000 0.451 140 K N 0.124 120.461 120.400 -0.105 0.000 2.439 140 K HA -0.036 4.283 4.320 -0.001 0.000 0.197 140 K C -0.179 176.375 176.600 -0.077 0.000 1.041 140 K CA 0.514 56.753 56.287 -0.080 0.000 0.970 140 K CB -0.120 32.342 32.500 -0.063 0.000 0.773 140 K HN 0.200 nan 8.250 nan 0.000 0.479 141 N N 1.674 120.315 118.700 -0.099 0.000 2.735 141 N HA -0.184 4.555 4.740 -0.001 0.000 0.248 141 N C -0.758 174.732 175.510 -0.033 0.000 1.083 141 N CA 0.548 53.548 53.050 -0.083 0.000 0.703 141 N CB -0.798 37.639 38.487 -0.084 0.000 1.005 141 N HN 0.164 nan 8.380 nan 0.000 0.550 142 D N 1.242 121.624 120.400 -0.029 0.000 2.767 142 D HA 0.322 4.962 4.640 -0.001 0.000 0.241 142 D C -0.787 175.516 176.300 0.007 0.000 1.187 142 D CA 0.023 54.016 54.000 -0.013 0.000 0.999 142 D CB 0.062 40.848 40.800 -0.023 0.000 1.042 142 D HN 0.297 nan 8.370 nan 0.000 0.510 143 L N 1.125 122.365 121.223 0.028 0.000 2.386 143 L HA 0.686 5.026 4.340 -0.001 0.000 0.271 143 L C 0.440 177.340 176.870 0.049 0.000 0.993 143 L CA -1.360 53.512 54.840 0.054 0.000 0.819 143 L CB 1.959 44.089 42.059 0.118 0.000 1.294 143 L HN 0.091 nan 8.230 nan 0.000 0.414 144 A N 1.856 124.697 122.820 0.035 0.000 2.406 144 A HA 0.632 4.951 4.320 -0.001 0.000 0.243 144 A C -0.029 177.578 177.584 0.039 0.000 1.082 144 A CA -0.011 52.042 52.037 0.027 0.000 0.786 144 A CB 0.525 19.532 19.000 0.011 0.000 1.029 144 A HN 0.615 nan 8.150 nan 0.000 0.495 145 S N -0.795 114.925 115.700 0.034 0.000 2.538 145 S HA 0.818 5.287 4.470 -0.001 0.000 0.288 145 S C -0.019 174.596 174.600 0.025 0.000 1.108 145 S CA 0.104 58.328 58.200 0.040 0.000 0.971 145 S CB 1.866 65.096 63.200 0.050 0.000 1.041 145 S HN 1.685 nan 8.310 nan 0.000 0.483 146 G N 0.537 109.350 108.800 0.022 0.000 2.506 146 G HA2 0.480 4.440 3.960 -0.001 0.000 0.292 146 G HA3 0.480 4.440 3.960 -0.001 0.000 0.292 146 G C -1.926 172.981 174.900 0.013 0.000 1.425 146 G CA -0.472 44.636 45.100 0.014 0.000 0.788 146 G HN 0.597 nan 8.290 nan 0.000 0.490 147 V N 1.736 121.655 119.914 0.009 0.000 2.288 147 V HA 0.597 4.717 4.120 -0.001 0.000 0.266 147 V C 1.223 177.318 176.094 0.003 0.000 1.048 147 V CA 0.356 62.660 62.300 0.007 0.000 0.842 147 V CB 0.346 32.173 31.823 0.007 0.000 1.064 147 V HN 1.071 nan 8.190 nan 0.000 0.472 148 G N 3.073 111.874 108.800 0.000 0.000 2.508 148 G HA2 0.483 4.442 3.960 -0.001 0.000 0.278 148 G HA3 0.483 4.442 3.960 -0.001 0.000 0.278 148 G C -0.266 174.632 174.900 -0.003 0.000 1.389 148 G CA -0.279 44.818 45.100 -0.004 0.000 1.050 148 G HN 0.631 nan 8.290 nan 0.000 0.522 149 S N -2.265 113.432 115.700 -0.006 0.000 2.540 149 S HA 0.596 5.065 4.470 -0.001 0.000 0.275 149 S C -1.048 173.548 174.600 -0.006 0.000 1.123 149 S CA -0.540 57.657 58.200 -0.005 0.000 0.907 149 S CB 1.727 64.924 63.200 -0.005 0.000 1.081 149 S HN 0.561 nan 8.310 nan 0.000 0.476 150 V N 3.415 123.326 119.914 -0.005 0.000 2.656 150 V HA 0.675 4.794 4.120 -0.001 0.000 0.307 150 V C -0.459 175.632 176.094 -0.005 0.000 1.051 150 V CA -0.670 61.627 62.300 -0.005 0.000 0.893 150 V CB 1.710 33.530 31.823 -0.004 0.000 0.999 150 V HN 0.908 nan 8.190 nan 0.000 0.426 151 E N 2.671 122.868 120.200 -0.006 0.000 2.275 151 E HA 0.504 4.854 4.350 -0.001 0.000 0.270 151 E C -1.268 175.329 176.600 -0.006 0.000 0.882 151 E CA -0.860 55.537 56.400 -0.006 0.000 0.758 151 E CB 2.071 31.767 29.700 -0.006 0.000 1.195 151 E HN 0.570 nan 8.360 nan 0.000 0.419 152 Q N 1.858 121.655 119.800 -0.005 0.000 2.296 152 Q HA 0.337 4.677 4.340 -0.001 0.000 0.262 152 Q C -1.172 174.826 176.000 -0.003 0.000 0.981 152 Q CA -0.048 55.752 55.803 -0.006 0.000 0.905 152 Q CB 1.575 30.309 28.738 -0.005 0.000 1.186 152 Q HN 0.369 nan 8.270 nan 0.000 0.399 153 V N 2.903 122.815 119.914 -0.003 0.000 2.588 153 V HA 0.261 4.380 4.120 -0.001 0.000 0.304 153 V C -0.890 175.208 176.094 0.007 0.000 1.042 153 V CA -0.993 61.309 62.300 0.003 0.000 0.877 153 V CB 2.151 33.974 31.823 0.001 0.000 0.996 153 V HN 0.661 nan 8.190 nan 0.000 0.425 154 D N 3.082 123.491 120.400 0.015 0.000 2.428 154 D HA 0.400 5.039 4.640 -0.001 0.000 0.221 154 D C 0.282 176.609 176.300 0.046 0.000 1.123 154 D CA -0.134 53.877 54.000 0.020 0.000 0.869 154 D CB 1.332 42.140 40.800 0.014 0.000 1.032 154 D HN 0.424 nan 8.370 nan 0.000 0.506 155 I N 3.897 124.500 120.570 0.056 0.000 3.939 155 I HA 0.141 4.311 4.170 -0.001 0.000 0.313 155 I C 1.502 177.714 176.117 0.159 0.000 1.274 155 I CA 0.063 61.434 61.300 0.118 0.000 1.301 155 I CB 0.146 38.219 38.000 0.121 0.000 1.105 155 I HN 0.422 nan 8.210 nan 0.000 0.427 156 L N 2.064 123.341 121.223 0.090 0.000 2.013 156 L HA -0.089 4.250 4.340 -0.001 0.000 0.212 156 L C -0.639 176.340 176.870 0.183 0.000 1.073 156 L CA 2.416 57.321 54.840 0.108 0.000 0.753 156 L CB -1.597 40.481 42.059 0.032 0.000 0.890 156 L HN 0.146 nan 8.230 nan 0.000 0.432 157 P HA -0.187 nan 4.420 nan 0.000 0.218 157 P C 1.512 178.946 177.300 0.222 0.000 1.148 157 P CA 1.421 64.590 63.100 0.115 0.000 0.822 157 P CB -0.095 31.633 31.700 0.047 0.000 0.784 158 R N -1.533 119.104 120.500 0.229 0.000 2.073 158 R HA -0.158 4.182 4.340 -0.001 0.000 0.229 158 R C 2.392 178.856 176.300 0.273 0.000 1.120 158 R CA 1.131 57.394 56.100 0.271 0.000 0.967 158 R CB -0.933 29.550 30.300 0.306 0.000 0.862 158 R HN 0.126 nan 8.270 nan 0.000 0.436 159 Y N 0.333 120.652 120.300 0.033 0.000 2.097 159 Y HA -0.324 4.226 4.550 -0.001 0.000 0.282 159 Y C 1.943 177.832 175.900 -0.018 0.000 1.152 159 Y CA 2.187 60.093 58.100 -0.324 0.000 1.136 159 Y CB -0.565 37.710 38.460 -0.309 0.000 0.975 159 Y HN 0.135 nan 8.280 nan 0.000 0.498 160 F N 1.395 121.392 119.950 0.079 0.000 2.065 160 F HA -0.270 4.257 4.527 -0.001 0.000 0.298 160 F C 2.427 178.209 175.800 -0.030 0.000 1.112 160 F CA 3.227 61.235 58.000 0.014 0.000 1.212 160 F CB -0.884 38.161 39.000 0.075 0.000 0.975 160 F HN 0.045 nan 8.300 nan 0.000 0.476 161 K N 0.074 120.628 120.400 0.258 0.000 2.057 161 K HA -0.207 4.113 4.320 -0.001 0.000 0.207 161 K C 1.892 178.516 176.600 0.041 0.000 1.049 161 K CA 1.665 58.043 56.287 0.153 0.000 0.931 161 K CB -1.316 31.308 32.500 0.207 0.000 0.714 161 K HN 0.574 nan 8.250 nan 0.000 0.440 162 Q N 0.062 119.902 119.800 0.067 0.000 2.077 162 Q HA -0.078 4.262 4.340 -0.001 0.000 0.206 162 Q C 2.029 178.061 176.000 0.053 0.000 0.989 162 Q CA 2.228 58.102 55.803 0.119 0.000 0.853 162 Q CB -0.300 28.572 28.738 0.223 0.000 0.907 162 Q HN 0.682 nan 8.270 nan 0.000 0.418 163 I N -0.338 120.163 120.570 -0.116 0.000 2.233 163 I HA -0.242 3.928 4.170 -0.001 0.000 0.243 163 I C 2.634 178.630 176.117 -0.203 0.000 1.093 163 I CA 1.330 62.521 61.300 -0.182 0.000 1.380 163 I CB -0.409 37.376 38.000 -0.359 0.000 1.067 163 I HN 0.241 nan 8.210 nan 0.000 0.413 164 R N 1.191 121.511 120.500 -0.300 0.000 2.091 164 R HA -0.229 4.111 4.340 -0.001 0.000 0.238 164 R C 1.736 177.955 176.300 -0.135 0.000 1.136 164 R CA 2.211 58.143 56.100 -0.280 0.000 0.959 164 R CB -0.278 29.781 30.300 -0.402 0.000 0.856 164 R HN 0.266 nan 8.270 nan 0.000 0.437 165 D N -0.036 120.320 120.400 -0.073 0.000 2.218 165 D HA -0.137 4.503 4.640 -0.001 0.000 0.204 165 D C 1.175 177.461 176.300 -0.023 0.000 0.976 165 D CA 1.349 55.336 54.000 -0.022 0.000 0.853 165 D CB -0.185 40.627 40.800 0.020 0.000 0.939 165 D HN 0.383 nan 8.370 nan 0.000 0.481 166 D N -0.977 119.407 120.400 -0.027 0.000 2.355 166 D HA 0.012 4.651 4.640 -0.001 0.000 0.206 166 D C 0.143 176.403 176.300 -0.068 0.000 1.010 166 D CA 0.019 54.008 54.000 -0.019 0.000 0.875 166 D CB 0.505 41.328 40.800 0.039 0.000 0.966 166 D HN -0.055 nan 8.370 nan 0.000 0.512 167 I N 1.703 122.207 120.570 -0.111 0.000 2.342 167 I HA 0.380 4.550 4.170 -0.001 0.000 0.291 167 I C -0.079 175.972 176.117 -0.110 0.000 1.010 167 I CA -0.566 60.644 61.300 -0.150 0.000 1.308 167 I CB 0.971 38.845 38.000 -0.211 0.000 1.400 167 I HN -0.060 nan 8.210 nan 0.000 0.488 168 A N 8.361 131.122 122.820 -0.097 0.000 2.508 168 A HA 0.569 4.889 4.320 -0.001 0.000 0.336 168 A C -0.021 177.521 177.584 -0.069 0.000 1.360 168 A CA -0.611 51.383 52.037 -0.071 0.000 0.841 168 A CB 0.381 19.348 19.000 -0.055 0.000 1.136 168 A HN 0.729 nan 8.150 nan 0.000 0.489 169 M N 1.918 121.479 119.600 -0.066 0.000 2.217 169 M HA 0.275 4.755 4.480 -0.001 0.000 0.354 169 M C 1.280 177.555 176.300 -0.042 0.000 1.225 169 M CA -0.038 55.228 55.300 -0.056 0.000 1.137 169 M CB 1.625 34.193 32.600 -0.054 0.000 1.576 169 M HN 0.738 nan 8.290 nan 0.000 0.461 170 A N 3.898 126.694 122.820 -0.039 0.000 2.044 170 A HA 0.077 4.397 4.320 -0.001 0.000 0.213 170 A C 0.486 178.054 177.584 -0.027 0.000 1.169 170 A CA 0.776 52.793 52.037 -0.032 0.000 0.724 170 A CB 0.271 19.250 19.000 -0.034 0.000 0.840 170 A HN 0.809 nan 8.150 nan 0.000 0.463 171 K N -0.359 120.025 120.400 -0.027 0.000 2.532 171 K HA 0.551 4.871 4.320 -0.001 0.000 0.265 171 K C -3.450 173.139 176.600 -0.019 0.000 0.948 171 K CA -1.954 54.320 56.287 -0.022 0.000 0.842 171 K CB 1.916 34.403 32.500 -0.022 0.000 1.392 171 K HN -0.135 nan 8.250 nan 0.000 0.436 172 P HA 0.143 nan 4.420 nan 0.000 0.271 172 P C -0.985 176.310 177.300 -0.009 0.000 1.218 172 P CA -0.165 62.929 63.100 -0.011 0.000 0.780 172 P CB 0.671 32.367 31.700 -0.007 0.000 0.901 173 M N 1.145 120.742 119.600 -0.006 0.000 2.572 173 M HA 0.380 4.860 4.480 -0.001 0.000 0.299 173 M C -0.087 176.214 176.300 0.002 0.000 1.205 173 M CA -0.838 54.461 55.300 -0.002 0.000 0.876 173 M CB 3.203 35.802 32.600 -0.002 0.000 1.728 173 M HN 0.186 nan 8.290 nan 0.000 0.458 174 K N 1.874 122.276 120.400 0.004 0.000 2.265 174 K HA 0.674 4.993 4.320 -0.001 0.000 0.267 174 K C -1.900 174.704 176.600 0.007 0.000 0.994 174 K CA -0.465 55.826 56.287 0.005 0.000 0.860 174 K CB 1.160 33.662 32.500 0.003 0.000 1.099 174 K HN 0.528 nan 8.250 nan 0.000 0.448 175 V N 4.931 124.852 119.914 0.011 0.000 2.577 175 V HA 0.264 4.384 4.120 -0.001 0.000 0.303 175 V C -0.549 175.553 176.094 0.014 0.000 1.042 175 V CA -1.079 61.229 62.300 0.014 0.000 0.872 175 V CB 1.775 33.612 31.823 0.024 0.000 0.998 175 V HN 0.563 nan 8.190 nan 0.000 0.423 176 V N 5.534 125.450 119.914 0.003 0.000 2.530 176 V HA 0.345 4.465 4.120 -0.001 0.000 0.282 176 V C 0.032 176.135 176.094 0.016 0.000 1.048 176 V CA -0.245 62.054 62.300 -0.001 0.000 0.997 176 V CB 1.435 33.246 31.823 -0.020 0.000 0.987 176 V HN 0.605 nan 8.190 nan 0.000 0.477 177 V N 4.068 124.008 119.914 0.043 0.000 2.407 177 V HA 0.414 4.533 4.120 -0.001 0.000 0.291 177 V C -0.509 175.654 176.094 0.114 0.000 1.018 177 V CA -0.514 61.851 62.300 0.109 0.000 0.842 177 V CB 1.809 33.737 31.823 0.176 0.000 0.996 177 V HN 0.908 nan 8.190 nan 0.000 0.426 178 D N 3.342 123.823 120.400 0.135 0.000 2.453 178 D HA 0.308 4.948 4.640 -0.001 0.000 0.238 178 D C 0.399 176.874 176.300 0.292 0.000 1.088 178 D CA -0.274 53.838 54.000 0.186 0.000 0.854 178 D CB 1.731 42.642 40.800 0.185 0.000 1.076 178 D HN 0.520 nan 8.370 nan 0.000 0.533 179 C N 2.235 121.713 119.300 0.297 0.000 2.696 179 C HA 0.349 4.809 4.460 -0.001 0.000 0.264 179 C C 1.754 176.873 174.990 0.215 0.000 1.288 179 C CA 0.220 59.414 59.018 0.293 0.000 1.717 179 C CB -0.918 26.941 27.740 0.199 0.000 1.893 179 C HN 0.899 nan 8.230 nan 0.000 0.577 180 G N 2.506 111.433 108.800 0.213 0.000 2.258 180 G HA2 -0.320 3.640 3.960 -0.001 0.000 0.274 180 G HA3 -0.320 3.640 3.960 -0.001 0.000 0.274 180 G C 0.292 175.173 174.900 -0.032 0.000 1.021 180 G CA 0.660 45.730 45.100 -0.049 0.000 0.798 180 G HN 0.609 nan 8.290 nan 0.000 0.507 181 N N -2.161 116.610 118.700 0.119 0.000 2.800 181 N HA -0.172 4.568 4.740 -0.001 0.000 0.250 181 N C 1.178 176.851 175.510 0.271 0.000 1.078 181 N CA 1.714 54.875 53.050 0.185 0.000 0.804 181 N CB -1.276 37.327 38.487 0.193 0.000 1.135 181 N HN 1.538 nan 8.380 nan 0.000 0.565 182 G N -0.225 108.696 108.800 0.200 0.000 2.543 182 G HA2 0.400 4.360 3.960 -0.001 0.000 0.290 182 G HA3 0.400 4.360 3.960 -0.001 0.000 0.290 182 G C 1.039 176.006 174.900 0.112 0.000 1.310 182 G CA 0.160 45.383 45.100 0.205 0.000 1.025 182 G HN 0.105 nan 8.290 nan 0.000 0.502 183 V N 0.342 120.297 119.914 0.069 0.000 3.305 183 V HA 0.067 4.187 4.120 -0.001 0.000 0.269 183 V C 2.704 178.775 176.094 -0.038 0.000 1.157 183 V CA 2.078 64.382 62.300 0.008 0.000 1.157 183 V CB -0.615 31.198 31.823 -0.017 0.000 0.772 183 V HN 0.794 nan 8.190 nan 0.000 0.498 184 A N 0.078 122.867 122.820 -0.052 0.000 2.015 184 A HA 0.020 4.340 4.320 -0.001 0.000 0.219 184 A C 2.308 179.807 177.584 -0.142 0.000 1.163 184 A CA 1.359 53.293 52.037 -0.173 0.000 0.646 184 A CB -1.032 17.774 19.000 -0.323 0.000 0.806 184 A HN 0.638 nan 8.150 nan 0.000 0.448 185 G N 0.161 108.938 108.800 -0.038 0.000 2.499 185 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.221 185 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.221 185 G C 1.491 176.385 174.900 -0.012 0.000 1.109 185 G CA 1.580 46.679 45.100 -0.002 0.000 0.749 185 G HN 1.069 nan 8.290 nan 0.000 0.568 186 V N -2.013 117.884 119.914 -0.028 0.000 2.913 186 V HA 0.176 4.295 4.120 -0.001 0.000 0.260 186 V C 1.993 178.083 176.094 -0.007 0.000 1.098 186 V CA 1.939 64.225 62.300 -0.023 0.000 1.121 186 V CB -0.004 31.797 31.823 -0.037 0.000 0.714 186 V HN 0.287 nan 8.190 nan 0.000 0.487 187 I N -1.433 119.132 120.570 -0.007 0.000 5.010 187 I HA 0.544 4.714 4.170 -0.001 0.000 0.329 187 I C 2.110 178.261 176.117 0.057 0.000 1.229 187 I CA 1.058 62.399 61.300 0.069 0.000 1.399 187 I CB 0.131 38.198 38.000 0.112 0.000 1.459 187 I HN 0.046 nan 8.210 nan 0.000 0.500 188 A N 2.021 124.794 122.820 -0.079 0.000 1.858 188 A HA 0.060 4.380 4.320 -0.001 0.000 0.216 188 A C -0.285 177.312 177.584 0.022 0.000 1.190 188 A CA 2.123 54.081 52.037 -0.132 0.000 0.617 188 A CB -2.091 16.587 19.000 -0.537 0.000 0.827 188 A HN 0.383 nan 8.150 nan 0.000 0.443 189 P HA -0.131 nan 4.420 nan 0.000 0.218 189 P C 1.199 178.552 177.300 0.088 0.000 1.149 189 P CA 1.429 64.574 63.100 0.075 0.000 0.817 189 P CB -0.066 31.671 31.700 0.062 0.000 0.785 190 Q N -1.103 118.763 119.800 0.110 0.000 2.083 190 Q HA -0.093 4.246 4.340 -0.001 0.000 0.198 190 Q C 2.040 178.223 176.000 0.306 0.000 0.969 190 Q CA 0.925 56.832 55.803 0.174 0.000 0.838 190 Q CB -1.152 27.672 28.738 0.143 0.000 0.900 190 Q HN 0.133 nan 8.270 nan 0.000 0.436 191 L N 0.451 121.840 121.223 0.277 0.000 2.017 191 L HA -0.099 4.240 4.340 -0.001 0.000 0.208 191 L C 1.849 178.710 176.870 -0.014 0.000 1.073 191 L CA 1.677 56.566 54.840 0.082 0.000 0.745 191 L CB -0.491 41.556 42.059 -0.021 0.000 0.894 191 L HN 0.251 nan 8.230 nan 0.000 0.432 192 I N -0.630 119.957 120.570 0.029 0.000 2.286 192 I HA -0.269 3.901 4.170 -0.001 0.000 0.248 192 I C 2.516 178.648 176.117 0.026 0.000 1.115 192 I CA 1.342 62.653 61.300 0.019 0.000 1.392 192 I CB -0.400 37.634 38.000 0.057 0.000 1.065 192 I HN 0.431 nan 8.210 nan 0.000 0.418 193 E N 1.307 121.542 120.200 0.058 0.000 2.058 193 E HA -0.266 4.083 4.350 -0.001 0.000 0.194 193 E C 2.275 178.907 176.600 0.054 0.000 0.997 193 E CA 1.506 57.941 56.400 0.058 0.000 0.801 193 E CB -0.021 29.724 29.700 0.074 0.000 0.746 193 E HN 0.511 nan 8.360 nan 0.000 0.450 194 A N 0.804 123.673 122.820 0.081 0.000 2.014 194 A HA -0.066 4.254 4.320 -0.001 0.000 0.218 194 A C 2.125 179.698 177.584 -0.019 0.000 1.163 194 A CA 0.540 52.623 52.037 0.077 0.000 0.652 194 A CB -0.432 18.686 19.000 0.198 0.000 0.808 194 A HN 0.274 nan 8.150 nan 0.000 0.449 195 L N -1.310 119.876 121.223 -0.061 0.000 2.265 195 L HA -0.027 4.312 4.340 -0.001 0.000 0.215 195 L C 1.608 178.453 176.870 -0.042 0.000 1.117 195 L CA 0.928 55.722 54.840 -0.077 0.000 0.782 195 L CB -0.405 41.599 42.059 -0.093 0.000 0.914 195 L HN 0.628 nan 8.230 nan 0.000 0.441 196 G N -1.294 107.496 108.800 -0.016 0.000 2.186 196 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.130 196 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.130 196 G C -0.171 174.726 174.900 -0.004 0.000 1.031 196 G CA -0.387 44.708 45.100 -0.008 0.000 0.697 196 G HN 0.230 nan 8.290 nan 0.000 0.494 197 C N 0.233 119.535 119.300 0.002 0.000 2.470 197 C HA 0.833 5.293 4.460 -0.001 0.000 0.341 197 C C 0.998 175.996 174.990 0.014 0.000 1.190 197 C CA -0.441 58.581 59.018 0.007 0.000 1.904 197 C CB 1.707 29.453 27.740 0.010 0.000 2.354 197 C HN 0.546 nan 8.230 nan 0.000 0.509 198 S N 1.024 116.731 115.700 0.012 0.000 2.489 198 S HA 0.439 4.909 4.470 -0.001 0.000 0.277 198 S C -0.355 174.256 174.600 0.017 0.000 1.230 198 S CA -0.348 57.861 58.200 0.014 0.000 1.053 198 S CB 0.633 63.838 63.200 0.009 0.000 0.955 198 S HN 0.479 nan 8.310 nan 0.000 0.488 199 V N 5.425 125.352 119.914 0.022 0.000 2.398 199 V HA 0.409 4.528 4.120 -0.001 0.000 0.286 199 V C -0.165 175.940 176.094 0.017 0.000 1.026 199 V CA -0.565 61.751 62.300 0.027 0.000 0.868 199 V CB 1.271 33.119 31.823 0.042 0.000 0.982 199 V HN 0.756 nan 8.190 nan 0.000 0.443 200 I N 8.124 128.700 120.570 0.011 0.000 2.306 200 I HA 0.327 4.496 4.170 -0.001 0.000 0.288 200 I C -2.196 173.916 176.117 -0.009 0.000 1.036 200 I CA -1.774 59.523 61.300 -0.004 0.000 1.221 200 I CB 1.734 39.726 38.000 -0.014 0.000 1.385 200 I HN 0.436 nan 8.210 nan 0.000 0.472 201 P HA 0.277 nan 4.420 nan 0.000 0.286 201 P C -0.940 176.310 177.300 -0.082 0.000 1.269 201 P CA -0.245 62.847 63.100 -0.014 0.000 0.787 201 P CB 1.508 33.209 31.700 0.002 0.000 0.920 202 L N 5.164 126.322 121.223 -0.108 0.000 2.372 202 L HA 0.336 4.675 4.340 -0.001 0.000 0.274 202 L C -0.076 176.694 176.870 -0.167 0.000 0.988 202 L CA -0.854 53.786 54.840 -0.335 0.000 0.833 202 L CB 0.833 42.677 42.059 -0.358 0.000 1.236 202 L HN 0.504 nan 8.230 nan 0.000 0.410 203 Y N 1.340 121.669 120.300 0.048 0.000 3.234 203 Y HA -0.299 4.251 4.550 -0.001 0.000 0.207 203 Y C 1.287 177.213 175.900 0.044 0.000 1.316 203 Y CA -0.332 57.784 58.100 0.027 0.000 1.309 203 Y CB -2.037 36.407 38.460 -0.025 0.000 1.408 203 Y HN 0.615 nan 8.280 nan 0.000 0.544 204 C N -0.403 118.980 119.300 0.138 0.000 2.799 204 C HA 0.235 4.694 4.460 -0.001 0.000 0.267 204 C C 1.714 176.752 174.990 0.081 0.000 1.257 204 C CA 0.643 59.722 59.018 0.103 0.000 1.702 204 C CB -0.977 26.805 27.740 0.070 0.000 1.934 204 C HN 0.646 nan 8.230 nan 0.000 0.594 205 E N 0.930 121.182 120.200 0.086 0.000 2.366 205 E HA 0.391 4.741 4.350 -0.001 0.000 0.266 205 E C -0.281 176.358 176.600 0.066 0.000 1.015 205 E CA 0.038 56.475 56.400 0.062 0.000 0.906 205 E CB 0.285 30.019 29.700 0.058 0.000 0.979 205 E HN 0.339 nan 8.360 nan 0.000 0.443 206 V N 3.889 123.827 119.914 0.041 0.000 2.415 206 V HA 0.280 4.399 4.120 -0.001 0.000 0.267 206 V C -0.154 175.944 176.094 0.007 0.000 1.042 206 V CA -0.028 62.294 62.300 0.037 0.000 1.000 206 V CB 0.787 32.618 31.823 0.013 0.000 1.015 206 V HN 0.849 nan 8.190 nan 0.000 0.478 207 D N 3.960 124.363 120.400 0.004 0.000 2.323 207 D HA 0.290 4.930 4.640 -0.001 0.000 0.242 207 D C 1.024 177.161 176.300 -0.273 0.000 1.347 207 D CA -0.140 53.812 54.000 -0.079 0.000 0.988 207 D CB 1.636 42.418 40.800 -0.029 0.000 1.314 207 D HN 0.493 nan 8.370 nan 0.000 0.564 208 G N 2.665 111.229 108.800 -0.392 0.000 2.586 208 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.215 208 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.215 208 G C 1.200 175.561 174.900 -0.900 0.000 1.128 208 G CA 0.135 44.775 45.100 -0.766 0.000 0.774 208 G HN 0.449 nan 8.290 nan 0.000 0.543 209 N N 0.529 118.920 118.700 -0.516 0.000 2.409 209 N HA -0.042 4.697 4.740 -0.001 0.000 0.179 209 N C -0.018 175.364 175.510 -0.214 0.000 1.032 209 N CA 0.237 53.099 53.050 -0.313 0.000 0.898 209 N CB -0.072 38.331 38.487 -0.140 0.000 0.971 209 N HN 0.217 nan 8.380 nan 0.000 0.441 210 F N -0.524 119.395 119.950 -0.052 0.000 2.667 210 F HA -0.125 4.401 4.527 -0.001 0.000 0.250 210 F C -1.647 174.137 175.800 -0.027 0.000 1.029 210 F CA -0.499 57.469 58.000 -0.054 0.000 0.944 210 F CB -1.836 37.120 39.000 -0.075 0.000 0.994 210 F HN 0.126 nan 8.300 nan 0.000 0.842 211 P HA -0.058 nan 4.420 nan 0.000 0.223 211 P C 0.343 177.615 177.300 -0.046 0.000 1.151 211 P CA 1.490 64.598 63.100 0.013 0.000 0.787 211 P CB 0.386 32.082 31.700 -0.007 0.000 0.788 212 N N -1.562 117.037 118.700 -0.168 0.000 2.818 212 N HA 0.203 4.943 4.740 -0.001 0.000 0.312 212 N C 0.043 175.413 175.510 -0.233 0.000 1.368 212 N CA -0.692 52.153 53.050 -0.341 0.000 0.817 212 N CB -0.590 37.333 38.487 -0.939 0.000 1.116 212 N HN 0.112 nan 8.380 nan 0.000 0.519 213 H N -0.666 118.257 119.070 -0.245 0.000 2.852 213 H HA 0.143 4.698 4.556 -0.001 0.000 0.362 213 H C -0.517 174.810 175.328 -0.001 0.000 1.122 213 H CA -0.063 55.918 56.048 -0.111 0.000 1.419 213 H CB 0.071 29.777 29.762 -0.093 0.000 1.401 213 H HN 0.342 nan 8.280 nan 0.000 0.609 214 H N 2.471 121.549 119.070 0.012 0.000 2.897 214 H HA 0.094 4.649 4.556 -0.001 0.000 0.347 214 H C -1.906 173.387 175.328 -0.058 0.000 1.068 214 H CA -2.212 53.747 56.048 -0.148 0.000 1.426 214 H CB 0.459 30.164 29.762 -0.096 0.000 1.410 214 H HN 0.667 nan 8.280 nan 0.000 0.597 215 P HA 0.051 nan 4.420 nan 0.000 0.244 215 P C -0.571 176.730 177.300 0.001 0.000 1.769 215 P CA 0.038 63.090 63.100 -0.079 0.000 1.102 215 P CB -0.059 31.489 31.700 -0.254 0.000 1.937 216 D N 3.982 124.424 120.400 0.069 0.000 2.364 216 D HA 0.156 4.796 4.640 -0.001 0.000 0.251 216 D C -1.740 174.540 176.300 -0.033 0.000 1.282 216 D CA -2.196 51.818 54.000 0.023 0.000 0.927 216 D CB 1.208 42.060 40.800 0.087 0.000 1.267 216 D HN 0.044 nan 8.370 nan 0.000 0.531 217 P HA 0.019 nan 4.420 nan 0.000 0.231 217 P C 1.257 178.495 177.300 -0.103 0.000 1.158 217 P CA 0.434 63.474 63.100 -0.101 0.000 0.763 217 P CB 0.247 31.873 31.700 -0.125 0.000 0.805 218 G N -0.552 108.193 108.800 -0.092 0.000 2.572 218 G HA2 0.030 3.989 3.960 -0.001 0.000 0.216 218 G HA3 0.030 3.989 3.960 -0.001 0.000 0.216 218 G C 0.789 175.674 174.900 -0.026 0.000 1.133 218 G CA 0.179 45.243 45.100 -0.060 0.000 0.791 218 G HN 0.492 nan 8.290 nan 0.000 0.538 219 K N 1.093 121.470 120.400 -0.039 0.000 2.293 219 K HA 0.624 4.944 4.320 -0.001 0.000 0.267 219 K C -1.643 174.927 176.600 -0.049 0.000 1.010 219 K CA -1.707 54.566 56.287 -0.024 0.000 0.875 219 K CB 1.215 33.706 32.500 -0.014 0.000 1.106 219 K HN -0.070 nan 8.250 nan 0.000 0.450 220 P HA -0.213 nan 4.420 nan 0.000 0.217 220 P C 1.650 178.904 177.300 -0.076 0.000 1.148 220 P CA 2.007 65.076 63.100 -0.051 0.000 0.828 220 P CB 0.329 32.026 31.700 -0.005 0.000 0.783 221 E N -0.261 119.900 120.200 -0.064 0.000 2.265 221 E HA -0.202 4.147 4.350 -0.001 0.000 0.196 221 E C 1.654 178.174 176.600 -0.133 0.000 0.996 221 E CA 1.205 57.562 56.400 -0.073 0.000 0.832 221 E CB -1.549 28.123 29.700 -0.047 0.000 0.756 221 E HN 0.312 nan 8.360 nan 0.000 0.491 222 N N -0.489 118.099 118.700 -0.186 0.000 2.461 222 N HA 0.112 4.852 4.740 -0.001 0.000 0.188 222 N C 1.143 176.364 175.510 -0.482 0.000 1.134 222 N CA 0.382 53.188 53.050 -0.407 0.000 0.878 222 N CB 0.448 38.772 38.487 -0.271 0.000 0.972 222 N HN 0.449 nan 8.380 nan 0.000 0.456 223 L N -0.313 120.757 121.223 -0.254 0.000 2.731 223 L HA 0.146 4.485 4.340 -0.001 0.000 0.240 223 L C 2.366 179.163 176.870 -0.122 0.000 1.120 223 L CA 0.100 54.829 54.840 -0.186 0.000 0.913 223 L CB -0.070 41.890 42.059 -0.164 0.000 1.213 223 L HN 0.008 nan 8.230 nan 0.000 0.515 224 K N 0.386 120.725 120.400 -0.102 0.000 2.009 224 K HA -0.227 4.092 4.320 -0.001 0.000 0.210 224 K C 1.583 178.175 176.600 -0.013 0.000 1.049 224 K CA 2.224 58.482 56.287 -0.047 0.000 0.929 224 K CB -0.817 31.665 32.500 -0.029 0.000 0.714 224 K HN 0.216 nan 8.250 nan 0.000 0.440 225 D N 0.150 120.567 120.400 0.028 0.000 2.117 225 D HA -0.101 4.539 4.640 -0.001 0.000 0.197 225 D C 1.916 178.233 176.300 0.028 0.000 0.987 225 D CA 1.236 55.285 54.000 0.081 0.000 0.829 225 D CB -0.322 40.630 40.800 0.255 0.000 0.961 225 D HN 0.253 nan 8.370 nan 0.000 0.460 226 L N 0.934 122.164 121.223 0.011 0.000 1.989 226 L HA -0.138 4.201 4.340 -0.001 0.000 0.211 226 L C 2.132 178.979 176.870 -0.038 0.000 1.071 226 L CA 1.463 56.290 54.840 -0.022 0.000 0.749 226 L CB -0.646 41.386 42.059 -0.044 0.000 0.890 226 L HN -0.002 nan 8.230 nan 0.000 0.431 227 I N -0.556 119.987 120.570 -0.046 0.000 2.226 227 I HA -0.283 3.886 4.170 -0.001 0.000 0.245 227 I C 2.566 178.665 176.117 -0.029 0.000 1.100 227 I CA 1.237 62.510 61.300 -0.046 0.000 1.374 227 I CB -0.662 37.305 38.000 -0.054 0.000 1.057 227 I HN 0.353 nan 8.210 nan 0.000 0.413 228 A N 0.556 123.365 122.820 -0.019 0.000 1.898 228 A HA -0.244 4.076 4.320 -0.001 0.000 0.216 228 A C 2.271 179.848 177.584 -0.013 0.000 1.181 228 A CA 1.918 53.949 52.037 -0.010 0.000 0.620 228 A CB -0.414 18.587 19.000 0.001 0.000 0.819 228 A HN 0.248 nan 8.150 nan 0.000 0.442 229 K N -0.051 120.338 120.400 -0.018 0.000 2.025 229 K HA -0.040 4.279 4.320 -0.001 0.000 0.207 229 K C 1.714 178.301 176.600 -0.023 0.000 1.049 229 K CA 1.736 58.008 56.287 -0.025 0.000 0.933 229 K CB -0.820 31.654 32.500 -0.043 0.000 0.714 229 K HN 0.148 nan 8.250 nan 0.000 0.438 230 V N 1.422 121.321 119.914 -0.025 0.000 2.278 230 V HA -0.343 3.777 4.120 -0.001 0.000 0.251 230 V C 2.180 178.264 176.094 -0.016 0.000 1.062 230 V CA 2.359 64.646 62.300 -0.022 0.000 1.038 230 V CB -0.444 31.362 31.823 -0.030 0.000 0.646 230 V HN 0.375 nan 8.190 nan 0.000 0.447 231 K N 0.009 120.399 120.400 -0.016 0.000 2.025 231 K HA -0.053 4.266 4.320 -0.001 0.000 0.207 231 K C 2.286 178.882 176.600 -0.008 0.000 1.049 231 K CA 1.429 57.709 56.287 -0.011 0.000 0.933 231 K CB -0.435 32.058 32.500 -0.012 0.000 0.714 231 K HN 0.472 nan 8.250 nan 0.000 0.438 232 A N 1.372 124.187 122.820 -0.009 0.000 1.969 232 A HA -0.120 4.200 4.320 -0.001 0.000 0.218 232 A C 1.598 179.178 177.584 -0.006 0.000 1.169 232 A CA 1.297 53.331 52.037 -0.006 0.000 0.635 232 A CB -0.091 18.905 19.000 -0.006 0.000 0.810 232 A HN 0.116 nan 8.150 nan 0.000 0.445 233 E N 0.450 120.645 120.200 -0.009 0.000 2.489 233 E HA 0.006 4.355 4.350 -0.001 0.000 0.193 233 E C -0.345 176.252 176.600 -0.005 0.000 1.057 233 E CA -0.156 56.239 56.400 -0.008 0.000 0.866 233 E CB -0.312 29.382 29.700 -0.011 0.000 0.916 233 E HN 0.529 nan 8.360 nan 0.000 0.500 234 N N 0.868 119.566 118.700 -0.004 0.000 2.714 234 N HA -0.205 4.534 4.740 -0.001 0.000 0.252 234 N C -0.186 175.324 175.510 -0.000 0.000 1.014 234 N CA 0.931 53.980 53.050 -0.001 0.000 0.735 234 N CB -1.160 37.327 38.487 0.001 0.000 0.924 234 N HN 0.187 nan 8.380 nan 0.000 0.540 235 A N -0.142 122.677 122.820 -0.002 0.000 2.287 235 A HA 0.314 4.634 4.320 -0.001 0.000 0.273 235 A C 1.090 178.676 177.584 0.003 0.000 1.091 235 A CA -0.251 51.786 52.037 -0.001 0.000 0.817 235 A CB 0.539 19.536 19.000 -0.005 0.000 1.069 235 A HN 0.182 nan 8.150 nan 0.000 0.492 236 D N -1.123 119.280 120.400 0.006 0.000 2.348 236 D HA 0.260 4.899 4.640 -0.001 0.000 0.211 236 D C -0.293 176.018 176.300 0.018 0.000 0.998 236 D CA 0.910 54.918 54.000 0.013 0.000 0.873 236 D CB 0.303 41.110 40.800 0.011 0.000 0.925 236 D HN 0.260 nan 8.370 nan 0.000 0.524 237 L N -0.956 120.272 121.223 0.008 0.000 2.789 237 L HA 0.496 4.836 4.340 -0.001 0.000 0.258 237 L C -1.421 175.438 176.870 -0.018 0.000 0.966 237 L CA -0.566 54.276 54.840 0.003 0.000 0.916 237 L CB 1.887 43.958 42.059 0.019 0.000 1.475 237 L HN -0.099 nan 8.230 nan 0.000 0.418 238 G N 2.682 111.455 108.800 -0.045 0.000 2.495 238 G HA2 0.712 4.671 3.960 -0.001 0.000 0.318 238 G HA3 0.712 4.671 3.960 -0.001 0.000 0.318 238 G C -1.881 172.955 174.900 -0.107 0.000 1.257 238 G CA -0.552 44.510 45.100 -0.064 0.000 0.962 238 G HN 0.579 nan 8.290 nan 0.000 0.483 239 L N 1.126 122.275 121.223 -0.124 0.000 2.385 239 L HA 0.748 5.087 4.340 -0.001 0.000 0.273 239 L C 0.054 176.736 176.870 -0.314 0.000 0.990 239 L CA -0.996 53.685 54.840 -0.264 0.000 0.821 239 L CB 2.387 44.293 42.059 -0.256 0.000 1.279 239 L HN 0.647 nan 8.230 nan 0.000 0.412 240 A N 3.100 125.659 122.820 -0.436 0.000 2.330 240 A HA 0.833 5.152 4.320 -0.001 0.000 0.313 240 A C -1.193 176.103 177.584 -0.481 0.000 1.124 240 A CA -0.323 51.538 52.037 -0.292 0.000 0.774 240 A CB 0.628 19.535 19.000 -0.154 0.000 1.198 240 A HN 0.472 nan 8.150 nan 0.000 0.465 241 F N 1.809 121.778 119.950 0.032 0.000 2.425 241 F HA 0.402 4.929 4.527 -0.001 0.000 0.331 241 F C 0.926 176.730 175.800 0.006 0.000 1.085 241 F CA -0.517 57.492 58.000 0.014 0.000 1.028 241 F CB 1.282 40.297 39.000 0.026 0.000 1.177 241 F HN 0.726 nan 8.300 nan 0.000 0.487 242 D N 0.846 121.335 120.400 0.149 0.000 2.414 242 D HA 0.128 4.768 4.640 -0.001 0.000 0.251 242 D C 1.389 177.734 176.300 0.075 0.000 1.252 242 D CA -0.221 53.822 54.000 0.073 0.000 0.999 242 D CB 0.446 41.257 40.800 0.018 0.000 1.093 242 D HN 0.605 nan 8.370 nan 0.000 0.515 243 G N -0.199 108.605 108.800 0.008 0.000 2.442 243 G HA2 -0.279 3.681 3.960 -0.001 0.000 0.219 243 G HA3 -0.279 3.681 3.960 -0.001 0.000 0.219 243 G C 0.956 175.875 174.900 0.032 0.000 1.141 243 G CA 1.345 46.433 45.100 -0.019 0.000 0.763 243 G HN 0.755 nan 8.290 nan 0.000 0.554 244 D N -1.093 119.321 120.400 0.024 0.000 2.369 244 D HA 0.199 4.839 4.640 -0.001 0.000 0.211 244 D C 1.646 177.931 176.300 -0.025 0.000 1.077 244 D CA 0.812 54.806 54.000 -0.010 0.000 0.842 244 D CB -0.321 40.462 40.800 -0.029 0.000 0.947 244 D HN 0.578 nan 8.370 nan 0.000 0.509 245 G N 2.193 111.008 108.800 0.025 0.000 2.157 245 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.248 245 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.248 245 G C 0.439 175.393 174.900 0.089 0.000 0.979 245 G CA 0.467 45.594 45.100 0.045 0.000 0.650 245 G HN 0.514 nan 8.290 nan 0.000 0.529 246 D N -0.668 119.761 120.400 0.049 0.000 2.339 246 D HA 0.270 4.910 4.640 -0.001 0.000 0.217 246 D C 0.914 177.148 176.300 -0.111 0.000 1.050 246 D CA 0.035 54.075 54.000 0.067 0.000 0.856 246 D CB 0.310 41.196 40.800 0.143 0.000 0.922 246 D HN 0.504 nan 8.370 nan 0.000 0.518 247 R N -0.469 119.974 120.500 -0.094 0.000 2.686 247 R HA 0.643 4.982 4.340 -0.001 0.000 0.283 247 R C -2.011 174.288 176.300 -0.002 0.000 0.978 247 R CA -0.901 55.087 56.100 -0.187 0.000 0.897 247 R CB 2.715 32.837 30.300 -0.297 0.000 1.192 247 R HN -0.016 nan 8.270 nan 0.000 0.457 248 V N 2.468 122.345 119.914 -0.061 0.000 2.789 248 V HA 0.846 4.965 4.120 -0.001 0.000 0.311 248 V C -0.638 175.332 176.094 -0.205 0.000 1.073 248 V CA -0.349 61.840 62.300 -0.184 0.000 0.921 248 V CB 2.001 33.741 31.823 -0.138 0.000 1.009 248 V HN 0.861 nan 8.190 nan 0.000 0.426 249 G N 4.114 112.739 108.800 -0.292 0.000 2.420 249 G HA2 0.650 4.609 3.960 -0.001 0.000 0.331 249 G HA3 0.650 4.609 3.960 -0.001 0.000 0.331 249 G C -1.501 173.228 174.900 -0.285 0.000 1.168 249 G CA -0.538 44.406 45.100 -0.259 0.000 0.936 249 G HN 0.827 nan 8.290 nan 0.000 0.479 250 V N 1.469 121.210 119.914 -0.289 0.000 2.588 250 V HA 0.642 4.762 4.120 -0.001 0.000 0.304 250 V C 0.013 175.930 176.094 -0.296 0.000 1.042 250 V CA -0.725 61.409 62.300 -0.278 0.000 0.877 250 V CB 1.499 33.142 31.823 -0.300 0.000 0.996 250 V HN 0.930 nan 8.190 nan 0.000 0.425 251 V N 1.556 121.339 119.914 -0.218 0.000 2.769 251 V HA 0.889 5.009 4.120 -0.001 0.000 0.312 251 V C 0.170 176.192 176.094 -0.120 0.000 1.061 251 V CA -0.285 61.902 62.300 -0.188 0.000 0.931 251 V CB 1.846 33.578 31.823 -0.152 0.000 1.010 251 V HN 0.949 nan 8.190 nan 0.000 0.433 252 T N 0.755 115.252 114.554 -0.095 0.000 2.788 252 T HA 0.227 4.577 4.350 -0.001 0.000 0.280 252 T C 1.278 175.970 174.700 -0.014 0.000 0.984 252 T CA 0.172 62.262 62.100 -0.017 0.000 0.972 252 T CB 0.622 69.499 68.868 0.015 0.000 1.039 252 T HN 1.016 nan 8.240 nan 0.000 0.530 253 N N 0.352 119.060 118.700 0.012 0.000 2.348 253 N HA -0.154 4.586 4.740 -0.001 0.000 0.185 253 N C 1.404 176.913 175.510 -0.002 0.000 1.019 253 N CA 1.751 54.806 53.050 0.008 0.000 0.880 253 N CB -1.026 37.476 38.487 0.025 0.000 0.965 253 N HN 0.851 nan 8.380 nan 0.000 0.437 254 T N -5.220 109.328 114.554 -0.009 0.000 3.105 254 T HA 0.451 4.801 4.350 -0.001 0.000 0.253 254 T C 1.199 175.881 174.700 -0.031 0.000 1.047 254 T CA 0.220 62.310 62.100 -0.017 0.000 0.944 254 T CB -0.146 68.709 68.868 -0.021 0.000 1.016 254 T HN 0.385 nan 8.240 nan 0.000 0.544 255 G N 1.134 109.909 108.800 -0.042 0.000 2.136 255 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.242 255 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.242 255 G C 0.094 174.947 174.900 -0.078 0.000 0.989 255 G CA 0.054 45.119 45.100 -0.058 0.000 0.682 255 G HN 0.679 nan 8.290 nan 0.000 0.522 256 T N 1.153 115.657 114.554 -0.082 0.000 2.851 256 T HA 0.474 4.824 4.350 -0.001 0.000 0.298 256 T C 1.064 175.660 174.700 -0.173 0.000 0.977 256 T CA 0.055 62.094 62.100 -0.102 0.000 1.126 256 T CB 1.027 69.847 68.868 -0.081 0.000 0.916 256 T HN 0.318 nan 8.240 nan 0.000 0.529 257 I N 4.302 124.745 120.570 -0.211 0.000 2.471 257 I HA 0.159 4.328 4.170 -0.001 0.000 0.286 257 I C 0.121 175.962 176.117 -0.460 0.000 1.079 257 I CA -0.350 60.725 61.300 -0.375 0.000 1.398 257 I CB 0.483 38.197 38.000 -0.477 0.000 1.403 257 I HN 0.346 nan 8.210 nan 0.000 0.530 258 I N 7.850 128.103 120.570 -0.530 0.000 2.306 258 I HA 0.212 4.381 4.170 -0.001 0.000 0.288 258 I C 0.016 175.829 176.117 -0.507 0.000 1.036 258 I CA -0.562 60.411 61.300 -0.546 0.000 1.221 258 I CB 0.009 37.481 38.000 -0.880 0.000 1.385 258 I HN 0.394 nan 8.210 nan 0.000 0.472 259 Y N 7.840 128.020 120.300 -0.200 0.000 2.457 259 Y HA 0.080 4.630 4.550 -0.001 0.000 0.341 259 Y C -1.004 174.819 175.900 -0.129 0.000 1.240 259 Y CA -0.839 57.181 58.100 -0.134 0.000 1.437 259 Y CB 0.056 38.465 38.460 -0.085 0.000 1.328 259 Y HN 0.445 nan 8.280 nan 0.000 0.588 260 P HA -0.195 nan 4.420 nan 0.000 0.218 260 P C 0.765 178.091 177.300 0.043 0.000 1.148 260 P CA 1.922 65.052 63.100 0.051 0.000 0.822 260 P CB 0.150 31.911 31.700 0.102 0.000 0.784 261 D N -0.716 119.711 120.400 0.045 0.000 2.183 261 D HA -0.161 4.479 4.640 -0.001 0.000 0.203 261 D C 1.991 178.244 176.300 -0.079 0.000 0.969 261 D CA 1.051 55.044 54.000 -0.011 0.000 0.842 261 D CB -0.902 39.884 40.800 -0.023 0.000 0.957 261 D HN 0.125 nan 8.370 nan 0.000 0.484 262 R N 0.046 120.507 120.500 -0.065 0.000 2.073 262 R HA 0.080 4.419 4.340 -0.001 0.000 0.229 262 R C 2.535 178.776 176.300 -0.098 0.000 1.120 262 R CA 0.369 56.405 56.100 -0.106 0.000 0.967 262 R CB -0.388 29.887 30.300 -0.043 0.000 0.862 262 R HN 0.154 nan 8.270 nan 0.000 0.436 263 L N 0.661 121.817 121.223 -0.111 0.000 2.013 263 L HA -0.231 4.109 4.340 -0.001 0.000 0.212 263 L C 2.180 178.929 176.870 -0.201 0.000 1.073 263 L CA 1.547 56.304 54.840 -0.137 0.000 0.753 263 L CB -0.332 41.629 42.059 -0.164 0.000 0.890 263 L HN 0.412 nan 8.230 nan 0.000 0.432 264 L N -0.865 120.325 121.223 -0.054 0.000 2.079 264 L HA -0.300 4.039 4.340 -0.001 0.000 0.210 264 L C 2.701 179.542 176.870 -0.049 0.000 1.081 264 L CA 1.457 56.319 54.840 0.037 0.000 0.752 264 L CB -0.265 41.825 42.059 0.051 0.000 0.896 264 L HN 0.402 nan 8.230 nan 0.000 0.433 265 M N -1.003 118.464 119.600 -0.222 0.000 2.082 265 M HA -0.296 4.184 4.480 -0.001 0.000 0.258 265 M C 2.260 178.390 176.300 -0.282 0.000 1.069 265 M CA 1.758 56.822 55.300 -0.394 0.000 1.102 265 M CB -0.476 31.587 32.600 -0.895 0.000 1.336 265 M HN 0.232 nan 8.290 nan 0.000 0.404 266 L N -0.065 121.010 121.223 -0.246 0.000 2.027 266 L HA -0.073 4.266 4.340 -0.001 0.000 0.206 266 L C 2.086 179.015 176.870 0.100 0.000 1.074 266 L CA 1.802 56.660 54.840 0.030 0.000 0.745 266 L CB -0.642 41.388 42.059 -0.048 0.000 0.898 266 L HN 0.152 nan 8.230 nan 0.000 0.433 267 F N -0.493 119.518 119.950 0.101 0.000 2.161 267 F HA -0.270 4.257 4.527 -0.001 0.000 0.300 267 F C 2.458 178.310 175.800 0.086 0.000 1.089 267 F CA 0.608 58.688 58.000 0.133 0.000 1.282 267 F CB -0.500 38.570 39.000 0.115 0.000 1.010 267 F HN 0.270 nan 8.300 nan 0.000 0.485 268 A N 0.216 123.175 122.820 0.232 0.000 1.873 268 A HA -0.226 4.094 4.320 -0.001 0.000 0.215 268 A C 2.130 179.779 177.584 0.109 0.000 1.186 268 A CA 1.733 53.864 52.037 0.155 0.000 0.616 268 A CB -0.774 18.302 19.000 0.127 0.000 0.823 268 A HN 0.308 nan 8.150 nan 0.000 0.442 269 K N -0.294 120.146 120.400 0.066 0.000 2.077 269 K HA -0.314 4.005 4.320 -0.001 0.000 0.213 269 K C 1.796 178.298 176.600 -0.163 0.000 1.051 269 K CA 2.370 58.520 56.287 -0.227 0.000 0.929 269 K CB -0.342 32.043 32.500 -0.191 0.000 0.715 269 K HN 0.521 nan 8.250 nan 0.000 0.451 270 D N -0.590 119.814 120.400 0.006 0.000 2.084 270 D HA -0.129 4.511 4.640 -0.001 0.000 0.196 270 D C 1.865 178.198 176.300 0.054 0.000 0.985 270 D CA 1.418 55.440 54.000 0.036 0.000 0.826 270 D CB 0.124 41.000 40.800 0.127 0.000 0.978 270 D HN 0.073 nan 8.370 nan 0.000 0.456 271 V N 0.008 119.993 119.914 0.118 0.000 2.295 271 V HA -0.215 3.905 4.120 -0.001 0.000 0.246 271 V C 2.574 178.708 176.094 0.068 0.000 1.049 271 V CA 1.397 63.765 62.300 0.113 0.000 1.024 271 V CB -0.395 31.522 31.823 0.156 0.000 0.648 271 V HN 0.192 nan 8.190 nan 0.000 0.447 272 V N 1.013 120.963 119.914 0.059 0.000 2.407 272 V HA -0.226 3.893 4.120 -0.001 0.000 0.248 272 V C 2.713 178.821 176.094 0.025 0.000 1.055 272 V CA 2.085 64.418 62.300 0.055 0.000 1.049 272 V CB -0.912 30.970 31.823 0.097 0.000 0.662 272 V HN 0.784 nan 8.190 nan 0.000 0.455 273 S N 0.741 116.426 115.700 -0.025 0.000 2.420 273 S HA -0.245 4.224 4.470 -0.001 0.000 0.237 273 S C 1.942 176.539 174.600 -0.005 0.000 1.023 273 S CA 1.559 59.737 58.200 -0.036 0.000 0.991 273 S CB -0.419 62.732 63.200 -0.082 0.000 0.792 273 S HN 0.655 nan 8.310 nan 0.000 0.488 274 R N 0.999 121.503 120.500 0.007 0.000 2.334 274 R HA 0.306 4.645 4.340 -0.001 0.000 0.212 274 R C -0.278 176.033 176.300 0.019 0.000 0.897 274 R CA 0.101 56.208 56.100 0.011 0.000 1.056 274 R CB 0.185 30.492 30.300 0.012 0.000 1.046 274 R HN 0.411 nan 8.270 nan 0.000 0.513 275 N N 1.296 120.011 118.700 0.026 0.000 2.750 275 N HA 0.209 4.949 4.740 -0.001 0.000 0.253 275 N C -2.887 172.644 175.510 0.034 0.000 1.408 275 N CA -1.237 51.831 53.050 0.029 0.000 0.780 275 N CB 1.912 40.421 38.487 0.036 0.000 1.191 275 N HN -0.128 nan 8.380 nan 0.000 0.511 276 P HA 0.075 nan 4.420 nan 0.000 0.265 276 P C 1.066 178.386 177.300 0.034 0.000 1.193 276 P CA 0.846 63.968 63.100 0.037 0.000 0.765 276 P CB 0.522 32.241 31.700 0.030 0.000 0.823 277 G N 1.758 110.582 108.800 0.040 0.000 2.162 277 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.260 277 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.260 277 G C 0.454 175.371 174.900 0.028 0.000 0.976 277 G CA -0.001 45.118 45.100 0.032 0.000 0.655 277 G HN 0.861 nan 8.290 nan 0.000 0.533 278 A N -0.014 122.827 122.820 0.036 0.000 2.462 278 A HA 0.517 4.836 4.320 -0.001 0.000 0.243 278 A C 0.294 177.896 177.584 0.030 0.000 1.076 278 A CA 0.501 52.556 52.037 0.030 0.000 0.773 278 A CB 0.238 19.262 19.000 0.039 0.000 1.010 278 A HN 0.385 nan 8.150 nan 0.000 0.493 279 D N 0.834 121.240 120.400 0.009 0.000 2.389 279 D HA 0.447 5.087 4.640 -0.001 0.000 0.247 279 D C -0.199 176.110 176.300 0.014 0.000 1.128 279 D CA 0.592 54.591 54.000 -0.002 0.000 0.884 279 D CB 0.635 41.409 40.800 -0.043 0.000 1.194 279 D HN 0.248 nan 8.370 nan 0.000 0.441 280 I N 2.941 123.535 120.570 0.041 0.000 2.478 280 I HA 0.351 4.521 4.170 -0.001 0.000 0.287 280 I C -0.312 175.855 176.117 0.084 0.000 1.042 280 I CA -0.534 60.815 61.300 0.081 0.000 1.067 280 I CB 1.258 39.344 38.000 0.144 0.000 1.233 280 I HN 0.297 nan 8.210 nan 0.000 0.431 281 I N 6.976 127.557 120.570 0.018 0.000 2.437 281 I HA 0.519 4.688 4.170 -0.001 0.000 0.298 281 I C -0.465 175.668 176.117 0.027 0.000 0.984 281 I CA -0.508 60.719 61.300 -0.121 0.000 1.214 281 I CB 1.342 39.236 38.000 -0.177 0.000 1.365 281 I HN 0.455 nan 8.210 nan 0.000 0.469 282 F N 2.067 122.017 119.950 -0.000 0.000 2.664 282 F HA 0.697 5.224 4.527 -0.001 0.000 0.317 282 F C -0.898 174.905 175.800 0.004 0.000 1.108 282 F CA -1.338 56.663 58.000 0.003 0.000 0.957 282 F CB 0.543 39.527 39.000 -0.026 0.000 1.365 282 F HN 0.441 nan 8.300 nan 0.000 0.475 283 D N -0.397 120.095 120.400 0.152 0.000 2.437 283 D HA 0.355 4.994 4.640 -0.001 0.000 0.259 283 D C 1.000 177.331 176.300 0.051 0.000 1.118 283 D CA -0.386 53.634 54.000 0.034 0.000 1.017 283 D CB 1.216 42.035 40.800 0.032 0.000 1.120 283 D HN 0.616 nan 8.370 nan 0.000 0.541 284 V N -2.162 117.731 119.914 -0.035 0.000 3.026 284 V HA -0.106 4.013 4.120 -0.001 0.000 0.265 284 V C 1.569 177.636 176.094 -0.045 0.000 1.121 284 V CA 1.119 63.382 62.300 -0.061 0.000 1.142 284 V CB -1.125 30.655 31.823 -0.071 0.000 0.730 284 V HN 0.493 nan 8.190 nan 0.000 0.503 285 K N -0.546 119.870 120.400 0.027 0.000 2.361 285 K HA 0.192 4.512 4.320 -0.001 0.000 0.196 285 K C 0.756 177.426 176.600 0.116 0.000 1.039 285 K CA 0.255 56.611 56.287 0.115 0.000 1.001 285 K CB 0.032 32.583 32.500 0.084 0.000 0.795 285 K HN 0.499 nan 8.250 nan 0.000 0.495 286 C N 1.906 121.206 119.300 -0.001 0.000 2.601 286 C HA 0.069 4.528 4.460 -0.001 0.000 0.409 286 C C 1.176 175.999 174.990 -0.278 0.000 1.293 286 C CA -0.722 58.264 59.018 -0.054 0.000 2.101 286 C CB 0.396 28.134 27.740 -0.003 0.000 2.639 286 C HN 0.341 nan 8.230 nan 0.000 0.592 287 T N 1.996 116.477 114.554 -0.122 0.000 2.933 287 T HA 0.184 4.534 4.350 -0.001 0.000 0.306 287 T C 1.496 175.951 174.700 -0.409 0.000 1.045 287 T CA 0.786 62.836 62.100 -0.083 0.000 1.143 287 T CB 0.447 69.347 68.868 0.052 0.000 1.003 287 T HN 0.905 nan 8.240 nan 0.000 0.540 288 R N 4.365 124.559 120.500 -0.511 0.000 2.117 288 R HA -0.127 4.213 4.340 -0.001 0.000 0.243 288 R C 2.456 178.617 176.300 -0.230 0.000 1.143 288 R CA 2.510 58.364 56.100 -0.410 0.000 0.968 288 R CB -1.243 28.918 30.300 -0.231 0.000 0.863 288 R HN 0.892 nan 8.270 nan 0.000 0.444 289 R N -0.483 119.943 120.500 -0.124 0.000 2.139 289 R HA -0.092 4.248 4.340 -0.001 0.000 0.243 289 R C 2.322 178.512 176.300 -0.182 0.000 1.145 289 R CA 1.502 57.543 56.100 -0.099 0.000 0.976 289 R CB -0.511 29.763 30.300 -0.042 0.000 0.866 289 R HN 0.413 nan 8.270 nan 0.000 0.449 290 L N 1.026 122.066 121.223 -0.305 0.000 2.093 290 L HA -0.103 4.237 4.340 -0.001 0.000 0.208 290 L C 1.900 178.501 176.870 -0.448 0.000 1.085 290 L CA 1.490 56.082 54.840 -0.414 0.000 0.755 290 L CB -0.183 41.523 42.059 -0.589 0.000 0.904 290 L HN 0.110 nan 8.230 nan 0.000 0.435 291 I N -0.454 119.829 120.570 -0.479 0.000 2.127 291 I HA -0.332 3.837 4.170 -0.001 0.000 0.241 291 I C 2.619 178.667 176.117 -0.115 0.000 1.075 291 I CA 1.341 62.495 61.300 -0.242 0.000 1.334 291 I CB -1.043 36.874 38.000 -0.138 0.000 1.040 291 I HN 0.335 nan 8.210 nan 0.000 0.405 292 A N 1.276 124.026 122.820 -0.117 0.000 1.883 292 A HA -0.210 4.109 4.320 -0.001 0.000 0.217 292 A C 2.370 179.889 177.584 -0.108 0.000 1.186 292 A CA 1.511 53.497 52.037 -0.086 0.000 0.624 292 A CB -0.899 18.058 19.000 -0.072 0.000 0.822 292 A HN 0.434 nan 8.150 nan 0.000 0.444 293 L N 0.006 121.156 121.223 -0.121 0.000 2.017 293 L HA -0.140 4.199 4.340 -0.001 0.000 0.208 293 L C 2.295 179.128 176.870 -0.061 0.000 1.073 293 L CA 2.045 56.805 54.840 -0.133 0.000 0.745 293 L CB -1.050 40.974 42.059 -0.058 0.000 0.894 293 L HN 0.476 nan 8.230 nan 0.000 0.432 294 I N -0.470 120.100 120.570 0.001 0.000 2.179 294 I HA -0.287 3.883 4.170 -0.001 0.000 0.242 294 I C 2.494 178.655 176.117 0.073 0.000 1.088 294 I CA 1.315 62.669 61.300 0.089 0.000 1.357 294 I CB -0.273 37.779 38.000 0.087 0.000 1.051 294 I HN 0.207 nan 8.210 nan 0.000 0.409 295 S N 0.775 116.485 115.700 0.017 0.000 2.356 295 S HA -0.144 4.326 4.470 -0.001 0.000 0.223 295 S C 2.185 176.774 174.600 -0.018 0.000 1.032 295 S CA 1.378 59.583 58.200 0.009 0.000 1.005 295 S CB -0.988 62.211 63.200 -0.003 0.000 0.867 295 S HN 0.633 nan 8.310 nan 0.000 0.449 296 G N 0.179 108.919 108.800 -0.100 0.000 2.475 296 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.220 296 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.220 296 G C 0.897 175.708 174.900 -0.149 0.000 1.125 296 G CA 0.753 45.745 45.100 -0.180 0.000 0.755 296 G HN 0.527 nan 8.290 nan 0.000 0.565 297 Y N 0.260 120.580 120.300 0.034 0.000 2.490 297 Y HA 0.341 4.891 4.550 -0.001 0.000 0.281 297 Y C 2.078 177.998 175.900 0.033 0.000 1.174 297 Y CA -0.430 57.693 58.100 0.038 0.000 1.295 297 Y CB 0.064 38.554 38.460 0.050 0.000 1.062 297 Y HN 0.305 nan 8.280 nan 0.000 0.522 298 G N -0.430 108.458 108.800 0.148 0.000 2.130 298 G HA2 -0.159 3.801 3.960 -0.001 0.000 0.216 298 G HA3 -0.159 3.801 3.960 -0.001 0.000 0.216 298 G C 0.538 175.491 174.900 0.089 0.000 0.999 298 G CA -0.085 45.074 45.100 0.098 0.000 0.686 298 G HN 0.725 nan 8.290 nan 0.000 0.515 299 G N -0.977 107.885 108.800 0.103 0.000 2.491 299 G HA2 0.667 4.627 3.960 -0.001 0.000 0.327 299 G HA3 0.667 4.627 3.960 -0.001 0.000 0.327 299 G C -0.187 174.755 174.900 0.070 0.000 1.189 299 G CA -0.532 44.620 45.100 0.088 0.000 0.956 299 G HN 0.586 nan 8.290 nan 0.000 0.491 300 R N 1.303 121.839 120.500 0.059 0.000 2.239 300 R HA 0.393 4.732 4.340 -0.001 0.000 0.332 300 R C -2.473 173.866 176.300 0.065 0.000 0.988 300 R CA -1.685 54.442 56.100 0.045 0.000 0.859 300 R CB 1.620 31.930 30.300 0.016 0.000 1.148 300 R HN 0.272 nan 8.270 nan 0.000 0.482 301 P HA 0.090 nan 4.420 nan 0.000 0.281 301 P C -0.976 176.358 177.300 0.058 0.000 1.252 301 P CA -0.251 62.975 63.100 0.209 0.000 0.778 301 P CB 1.593 33.471 31.700 0.297 0.000 0.895 302 V N 4.969 124.811 119.914 -0.121 0.000 2.447 302 V HA 0.309 4.429 4.120 -0.001 0.000 0.292 302 V C 0.348 176.013 176.094 -0.714 0.000 1.021 302 V CA -0.603 61.523 62.300 -0.291 0.000 0.850 302 V CB 1.562 33.251 31.823 -0.224 0.000 1.005 302 V HN 0.602 nan 8.190 nan 0.000 0.426 303 M N 5.744 124.961 119.600 -0.638 0.000 2.162 303 M HA 0.378 4.858 4.480 -0.001 0.000 0.356 303 M C -0.891 175.329 176.300 -0.132 0.000 1.303 303 M CA 0.163 55.054 55.300 -0.681 0.000 1.116 303 M CB 0.821 33.228 32.600 -0.323 0.000 1.632 303 M HN 0.821 nan 8.290 nan 0.000 0.469 304 W N 4.386 125.440 121.300 -0.410 0.000 3.205 304 W HA 0.411 5.071 4.660 -0.001 0.000 0.336 304 W C -0.835 175.578 176.519 -0.176 0.000 1.171 304 W CA -0.940 56.251 57.345 -0.256 0.000 1.035 304 W CB 1.625 30.933 29.460 -0.254 0.000 1.500 304 W HN 0.486 nan 8.180 nan 0.000 0.602 305 K N 1.247 121.039 120.400 -1.013 0.000 2.319 305 K HA 0.134 4.454 4.320 -0.001 0.000 0.265 305 K C 0.396 176.822 176.600 -0.289 0.000 1.000 305 K CA 0.156 56.043 56.287 -0.667 0.000 0.943 305 K CB 0.586 32.584 32.500 -0.837 0.000 0.950 305 K HN 0.302 nan 8.250 nan 0.000 0.485 306 T N -1.362 113.087 114.554 -0.174 0.000 2.860 306 T HA 0.475 4.824 4.350 -0.001 0.000 0.299 306 T C 0.535 175.114 174.700 -0.202 0.000 1.045 306 T CA -0.234 61.809 62.100 -0.094 0.000 1.071 306 T CB 0.958 69.821 68.868 -0.009 0.000 0.985 306 T HN 0.817 nan 8.240 nan 0.000 0.537 307 G N 1.678 110.308 108.800 -0.284 0.000 3.400 307 G HA2 0.053 4.013 3.960 -0.001 0.000 0.679 307 G HA3 0.053 4.013 3.960 -0.001 0.000 0.679 307 G C -0.075 174.491 174.900 -0.557 0.000 1.239 307 G CA 0.242 44.859 45.100 -0.805 0.000 1.049 307 G HN 1.411 nan 8.290 nan 0.000 0.539 308 H N 0.864 119.691 119.070 -0.405 0.000 2.353 308 H HA -0.064 4.492 4.556 -0.001 0.000 0.298 308 H C 2.474 177.773 175.328 -0.050 0.000 1.103 308 H CA 2.540 58.547 56.048 -0.068 0.000 1.293 308 H CB -0.011 29.699 29.762 -0.087 0.000 1.372 308 H HN 0.397 nan 8.280 nan 0.000 0.501 309 S N 0.520 115.692 115.700 -0.880 0.000 2.402 309 S HA -0.024 4.446 4.470 -0.001 0.000 0.229 309 S C 2.102 176.564 174.600 -0.231 0.000 1.021 309 S CA 1.225 59.126 58.200 -0.499 0.000 0.974 309 S CB -0.167 62.825 63.200 -0.346 0.000 0.800 309 S HN 0.368 nan 8.310 nan 0.000 0.484 310 L N 0.819 121.889 121.223 -0.255 0.000 2.131 310 L HA 0.011 4.351 4.340 -0.001 0.000 0.206 310 L C 2.137 179.012 176.870 0.008 0.000 1.087 310 L CA 0.707 55.528 54.840 -0.032 0.000 0.767 310 L CB -0.514 41.543 42.059 -0.003 0.000 0.917 310 L HN 0.292 nan 8.230 nan 0.000 0.441 311 I N 0.378 120.855 120.570 -0.154 0.000 2.252 311 I HA -0.268 3.902 4.170 -0.001 0.000 0.245 311 I C 2.482 178.335 176.117 -0.439 0.000 1.102 311 I CA 1.499 62.599 61.300 -0.332 0.000 1.385 311 I CB -0.663 36.926 38.000 -0.685 0.000 1.064 311 I HN 0.251 nan 8.210 nan 0.000 0.414 312 K N 1.147 121.323 120.400 -0.373 0.000 2.026 312 K HA -0.165 4.154 4.320 -0.001 0.000 0.208 312 K C 2.128 178.644 176.600 -0.139 0.000 1.048 312 K CA 1.362 57.533 56.287 -0.194 0.000 0.929 312 K CB 0.036 32.535 32.500 -0.002 0.000 0.713 312 K HN 0.167 nan 8.250 nan 0.000 0.439 313 K N 0.442 120.766 120.400 -0.126 0.000 2.020 313 K HA -0.237 4.082 4.320 -0.001 0.000 0.212 313 K C 2.116 178.593 176.600 -0.206 0.000 1.050 313 K CA 1.777 57.991 56.287 -0.121 0.000 0.929 313 K CB -0.153 32.302 32.500 -0.074 0.000 0.714 313 K HN -0.083 nan 8.250 nan 0.000 0.443 314 K N 1.068 121.283 120.400 -0.309 0.000 2.103 314 K HA -0.087 4.232 4.320 -0.001 0.000 0.207 314 K C 1.948 178.335 176.600 -0.356 0.000 1.048 314 K CA 1.490 57.474 56.287 -0.505 0.000 0.930 314 K CB -0.065 31.932 32.500 -0.839 0.000 0.716 314 K HN 0.104 nan 8.250 nan 0.000 0.444 315 M N -0.069 119.369 119.600 -0.271 0.000 2.117 315 M HA -0.191 4.288 4.480 -0.001 0.000 0.262 315 M C 2.487 178.706 176.300 -0.135 0.000 1.065 315 M CA 2.335 57.523 55.300 -0.187 0.000 1.114 315 M CB -0.356 32.156 32.600 -0.146 0.000 1.361 315 M HN 0.253 nan 8.290 nan 0.000 0.408 316 K N 0.758 121.084 120.400 -0.123 0.000 2.057 316 K HA -0.137 4.183 4.320 -0.001 0.000 0.206 316 K C 1.493 178.027 176.600 -0.109 0.000 1.050 316 K CA 1.808 58.041 56.287 -0.089 0.000 0.935 316 K CB -1.164 31.295 32.500 -0.068 0.000 0.715 316 K HN 0.581 nan 8.250 nan 0.000 0.439 317 E N 0.250 120.358 120.200 -0.154 0.000 2.153 317 E HA -0.120 4.230 4.350 -0.001 0.000 0.194 317 E C 2.109 178.613 176.600 -0.161 0.000 0.988 317 E CA 1.735 58.036 56.400 -0.165 0.000 0.811 317 E CB -0.006 29.556 29.700 -0.229 0.000 0.746 317 E HN 0.801 nan 8.360 nan 0.000 0.466 318 T N -3.932 110.517 114.554 -0.175 0.000 3.001 318 T HA 0.301 4.650 4.350 -0.001 0.000 0.251 318 T C 1.517 176.156 174.700 -0.103 0.000 1.040 318 T CA 0.315 62.324 62.100 -0.152 0.000 0.985 318 T CB 0.840 69.593 68.868 -0.192 0.000 1.011 318 T HN 0.239 nan 8.240 nan 0.000 0.509 319 G N 1.734 110.480 108.800 -0.089 0.000 2.155 319 G HA2 -0.082 3.878 3.960 -0.001 0.000 0.257 319 G HA3 -0.082 3.878 3.960 -0.001 0.000 0.257 319 G C 0.369 175.242 174.900 -0.046 0.000 0.983 319 G CA 0.006 45.071 45.100 -0.058 0.000 0.676 319 G HN 1.255 nan 8.290 nan 0.000 0.528 320 A N -0.480 122.301 122.820 -0.063 0.000 2.531 320 A HA 0.586 4.906 4.320 -0.001 0.000 0.236 320 A C 1.457 179.035 177.584 -0.012 0.000 1.062 320 A CA 0.715 52.724 52.037 -0.045 0.000 0.760 320 A CB 0.227 19.180 19.000 -0.077 0.000 0.995 320 A HN 0.815 nan 8.150 nan 0.000 0.501 321 L N 0.988 122.220 121.223 0.015 0.000 2.529 321 L HA 0.237 4.577 4.340 -0.001 0.000 0.223 321 L C 0.002 176.908 176.870 0.060 0.000 1.113 321 L CA 0.349 55.218 54.840 0.049 0.000 0.861 321 L CB -0.124 41.972 42.059 0.061 0.000 1.012 321 L HN 0.641 nan 8.230 nan 0.000 0.461 322 L N -0.369 120.865 121.223 0.018 0.000 2.505 322 L HA 0.795 5.135 4.340 -0.001 0.000 0.259 322 L C -1.436 175.427 176.870 -0.012 0.000 0.952 322 L CA -0.290 54.525 54.840 -0.042 0.000 0.840 322 L CB 1.918 43.937 42.059 -0.066 0.000 1.358 322 L HN -0.131 nan 8.230 nan 0.000 0.409 323 A N 2.149 124.979 122.820 0.018 0.000 2.587 323 A HA 1.025 5.344 4.320 -0.001 0.000 0.293 323 A C -0.733 177.010 177.584 0.265 0.000 1.087 323 A CA -0.022 52.057 52.037 0.070 0.000 0.692 323 A CB 1.809 20.726 19.000 -0.138 0.000 1.291 323 A HN 1.340 nan 8.150 nan 0.000 0.407 324 G N -0.241 108.725 108.800 0.276 0.000 2.677 324 G HA2 0.655 4.615 3.960 -0.001 0.000 0.291 324 G HA3 0.655 4.615 3.960 -0.001 0.000 0.291 324 G C -1.401 173.693 174.900 0.324 0.000 1.435 324 G CA -0.144 45.182 45.100 0.376 0.000 0.826 324 G HN 1.125 nan 8.290 nan 0.000 0.491 325 E N 0.192 120.599 120.200 0.345 0.000 2.416 325 E HA 0.460 4.810 4.350 -0.001 0.000 0.273 325 E C 0.470 177.197 176.600 0.213 0.000 0.935 325 E CA -1.131 55.423 56.400 0.257 0.000 0.784 325 E CB 1.558 31.410 29.700 0.252 0.000 1.301 325 E HN 0.197 nan 8.360 nan 0.000 0.454 326 M N 1.175 120.871 119.600 0.161 0.000 2.267 326 M HA -0.124 4.355 4.480 -0.001 0.000 0.263 326 M C 1.873 178.255 176.300 0.137 0.000 1.063 326 M CA 1.853 57.232 55.300 0.132 0.000 1.090 326 M CB -1.235 31.422 32.600 0.094 0.000 1.392 326 M HN 0.742 nan 8.290 nan 0.000 0.422 327 S N -1.115 114.683 115.700 0.163 0.000 2.515 327 S HA 0.141 4.611 4.470 -0.001 0.000 0.231 327 S C 1.583 176.248 174.600 0.109 0.000 0.987 327 S CA 0.884 59.175 58.200 0.151 0.000 0.936 327 S CB -0.311 63.022 63.200 0.221 0.000 0.766 327 S HN 0.646 nan 8.310 nan 0.000 0.528 328 G N 0.105 108.983 108.800 0.130 0.000 2.184 328 G HA2 -0.179 3.781 3.960 -0.001 0.000 0.206 328 G HA3 -0.179 3.781 3.960 -0.001 0.000 0.206 328 G C -0.267 174.631 174.900 -0.004 0.000 0.995 328 G CA -0.242 44.881 45.100 0.038 0.000 0.651 328 G HN 0.660 nan 8.290 nan 0.000 0.511 329 H N 0.014 119.126 119.070 0.070 0.000 2.767 329 H HA 0.515 5.071 4.556 -0.001 0.000 0.316 329 H C 0.080 175.365 175.328 -0.072 0.000 1.059 329 H CA 0.365 56.379 56.048 -0.057 0.000 1.461 329 H CB 1.436 31.162 29.762 -0.061 0.000 1.475 329 H HN 0.161 nan 8.280 nan 0.000 0.531 330 V N 5.426 125.291 119.914 -0.081 0.000 2.487 330 V HA 0.248 4.367 4.120 -0.001 0.000 0.298 330 V C -0.880 175.147 176.094 -0.111 0.000 1.028 330 V CA -0.780 61.529 62.300 0.015 0.000 0.860 330 V CB 0.888 32.782 31.823 0.117 0.000 0.991 330 V HN 0.551 nan 8.190 nan 0.000 0.427 331 F N 4.660 124.619 119.950 0.015 0.000 2.382 331 F HA 0.596 5.122 4.527 -0.001 0.000 0.361 331 F C -0.289 175.474 175.800 -0.062 0.000 1.109 331 F CA -0.874 57.178 58.000 0.087 0.000 1.031 331 F CB 0.807 39.870 39.000 0.105 0.000 1.234 331 F HN 0.264 nan 8.300 nan 0.000 0.445 332 F N 2.750 122.856 119.950 0.261 0.000 2.404 332 F HA 0.379 4.906 4.527 -0.001 0.000 0.345 332 F C 1.278 177.211 175.800 0.222 0.000 1.110 332 F CA -0.376 57.743 58.000 0.197 0.000 1.130 332 F CB 1.708 40.828 39.000 0.201 0.000 1.129 332 F HN 0.374 nan 8.300 nan 0.000 0.500 333 K N 1.597 122.175 120.400 0.298 0.000 2.306 333 K HA 0.039 4.358 4.320 -0.001 0.000 0.200 333 K C 0.433 177.124 176.600 0.151 0.000 1.083 333 K CA 0.309 56.700 56.287 0.174 0.000 0.959 333 K CB 0.052 32.606 32.500 0.090 0.000 0.994 333 K HN 0.538 nan 8.250 nan 0.000 0.492 334 E N 1.862 122.174 120.200 0.188 0.000 2.480 334 E HA -0.072 4.278 4.350 -0.001 0.000 0.258 334 E C -0.612 176.081 176.600 0.154 0.000 0.984 334 E CA 0.380 56.865 56.400 0.141 0.000 0.930 334 E CB 0.151 29.940 29.700 0.149 0.000 0.936 334 E HN 0.290 nan 8.360 nan 0.000 0.466 335 R N 1.530 122.070 120.500 0.067 0.000 3.994 335 R HA -0.214 4.126 4.340 -0.001 0.000 0.403 335 R C -0.124 176.236 176.300 0.101 0.000 1.126 335 R CA 1.701 57.837 56.100 0.060 0.000 1.143 335 R CB -1.490 28.858 30.300 0.081 0.000 1.695 335 R HN 0.760 nan 8.270 nan 0.000 0.555 336 W N -1.900 119.213 121.300 -0.312 0.000 3.898 336 W HA 0.368 5.028 4.660 -0.001 0.000 0.387 336 W C -0.525 175.633 176.519 -0.600 0.000 1.146 336 W CA -0.532 56.497 57.345 -0.526 0.000 1.065 336 W CB 0.434 29.600 29.460 -0.489 0.000 1.660 336 W HN -0.178 nan 8.180 nan 0.000 0.627 337 F N 0.402 119.946 119.950 -0.676 0.000 2.784 337 F HA 0.291 4.817 4.527 -0.001 0.000 0.323 337 F C 1.426 177.075 175.800 -0.251 0.000 1.085 337 F CA 0.852 58.543 58.000 -0.514 0.000 1.196 337 F CB 0.815 39.429 39.000 -0.643 0.000 1.053 337 F HN 0.573 nan 8.300 nan 0.000 0.578 338 G N 1.056 109.831 108.800 -0.041 0.000 2.141 338 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.231 338 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.231 338 G C 0.061 175.127 174.900 0.277 0.000 0.984 338 G CA 0.047 45.229 45.100 0.137 0.000 0.660 338 G HN 0.288 nan 8.290 nan 0.000 0.525 339 F N 0.905 121.080 119.950 0.376 0.000 2.450 339 F HA 0.730 5.257 4.527 -0.001 0.000 0.328 339 F C 0.250 176.307 175.800 0.428 0.000 1.068 339 F CA -2.171 56.052 58.000 0.373 0.000 1.007 339 F CB 0.597 39.706 39.000 0.182 0.000 1.251 339 F HN 0.082 nan 8.300 nan 0.000 0.492 340 D N 0.598 121.269 120.400 0.451 0.000 2.389 340 D HA 0.264 4.903 4.640 -0.001 0.000 0.247 340 D C -1.055 175.532 176.300 0.478 0.000 1.128 340 D CA 0.042 54.001 54.000 -0.067 0.000 0.884 340 D CB 1.352 41.837 40.800 -0.524 0.000 1.194 340 D HN 0.659 nan 8.370 nan 0.000 0.441 341 D N 0.545 121.165 120.400 0.367 0.000 2.419 341 D HA 0.222 4.862 4.640 -0.001 0.000 0.219 341 D C 0.881 177.386 176.300 0.341 0.000 1.349 341 D CA -0.672 53.619 54.000 0.485 0.000 0.964 341 D CB 1.225 42.489 40.800 0.774 0.000 1.463 341 D HN 0.379 nan 8.370 nan 0.000 0.573 342 G N 2.436 111.414 108.800 0.295 0.000 2.421 342 G HA2 -0.102 3.858 3.960 -0.001 0.000 0.217 342 G HA3 -0.102 3.858 3.960 -0.001 0.000 0.217 342 G C 1.537 176.727 174.900 0.483 0.000 1.143 342 G CA 0.495 45.801 45.100 0.344 0.000 0.784 342 G HN 0.550 nan 8.290 nan 0.000 0.541 343 I N -0.988 119.798 120.570 0.361 0.000 2.233 343 I HA -0.043 4.127 4.170 -0.001 0.000 0.243 343 I C 2.362 178.569 176.117 0.149 0.000 1.093 343 I CA 0.771 62.205 61.300 0.223 0.000 1.380 343 I CB -0.237 37.817 38.000 0.090 0.000 1.067 343 I HN 0.173 nan 8.210 nan 0.000 0.413 344 Y N 1.417 121.701 120.300 -0.027 0.000 2.242 344 Y HA -0.221 4.328 4.550 -0.001 0.000 0.291 344 Y C 2.665 178.362 175.900 -0.338 0.000 1.137 344 Y CA 1.538 59.408 58.100 -0.382 0.000 1.181 344 Y CB -0.218 37.759 38.460 -0.805 0.000 0.989 344 Y HN 0.053 nan 8.280 nan 0.000 0.527 345 S N 0.456 116.102 115.700 -0.090 0.000 2.368 345 S HA -0.186 4.284 4.470 -0.001 0.000 0.224 345 S C 2.322 176.959 174.600 0.061 0.000 1.029 345 S CA 0.963 59.162 58.200 -0.003 0.000 0.988 345 S CB -0.873 62.517 63.200 0.316 0.000 0.838 345 S HN 0.630 nan 8.310 nan 0.000 0.462 346 A N 1.985 124.877 122.820 0.120 0.000 1.892 346 A HA -0.069 4.250 4.320 -0.001 0.000 0.218 346 A C 2.399 179.980 177.584 -0.005 0.000 1.188 346 A CA 2.017 54.129 52.037 0.124 0.000 0.631 346 A CB -1.295 17.873 19.000 0.279 0.000 0.822 346 A HN 0.544 nan 8.150 nan 0.000 0.447 347 A N -0.687 122.037 122.820 -0.160 0.000 1.877 347 A HA -0.170 4.149 4.320 -0.001 0.000 0.216 347 A C 2.203 179.573 177.584 -0.356 0.000 1.186 347 A CA 1.563 53.432 52.037 -0.279 0.000 0.620 347 A CB -0.480 18.273 19.000 -0.411 0.000 0.822 347 A HN 0.430 nan 8.150 nan 0.000 0.443 348 R N -0.892 119.248 120.500 -0.600 0.000 2.120 348 R HA -0.111 4.229 4.340 -0.001 0.000 0.234 348 R C 2.021 178.313 176.300 -0.014 0.000 1.123 348 R CA 1.365 57.128 56.100 -0.561 0.000 0.975 348 R CB -1.187 28.360 30.300 -1.254 0.000 0.866 348 R HN 0.554 nan 8.270 nan 0.000 0.446 349 L N 0.887 122.238 121.223 0.214 0.000 2.056 349 L HA -0.056 4.283 4.340 -0.001 0.000 0.207 349 L C 2.083 179.003 176.870 0.084 0.000 1.078 349 L CA 1.483 56.493 54.840 0.282 0.000 0.749 349 L CB -0.458 41.763 42.059 0.269 0.000 0.901 349 L HN 0.047 nan 8.230 nan 0.000 0.433 350 L N -0.491 120.745 121.223 0.021 0.000 2.141 350 L HA -0.172 4.168 4.340 -0.001 0.000 0.209 350 L C 2.558 179.405 176.870 -0.037 0.000 1.094 350 L CA 1.463 56.297 54.840 -0.010 0.000 0.763 350 L CB -0.573 41.471 42.059 -0.025 0.000 0.908 350 L HN 0.459 nan 8.230 nan 0.000 0.437 351 E N 1.049 121.208 120.200 -0.068 0.000 2.051 351 E HA -0.238 4.111 4.350 -0.001 0.000 0.192 351 E C 2.284 178.854 176.600 -0.050 0.000 0.991 351 E CA 1.442 57.794 56.400 -0.080 0.000 0.799 351 E CB -0.057 29.564 29.700 -0.131 0.000 0.748 351 E HN 0.444 nan 8.360 nan 0.000 0.449 352 I N 0.958 121.515 120.570 -0.022 0.000 2.142 352 I HA -0.305 3.865 4.170 -0.001 0.000 0.240 352 I C 2.527 178.616 176.117 -0.047 0.000 1.078 352 I CA 1.033 62.321 61.300 -0.019 0.000 1.343 352 I CB -0.265 37.749 38.000 0.024 0.000 1.046 352 I HN 0.206 nan 8.210 nan 0.000 0.405 353 L N 0.464 121.660 121.223 -0.045 0.000 2.127 353 L HA -0.214 4.125 4.340 -0.001 0.000 0.211 353 L C 2.718 179.560 176.870 -0.046 0.000 1.089 353 L CA 1.675 56.480 54.840 -0.057 0.000 0.757 353 L CB -0.760 41.281 42.059 -0.030 0.000 0.899 353 L HN 0.407 nan 8.230 nan 0.000 0.434 354 S N -1.015 114.662 115.700 -0.038 0.000 2.481 354 S HA -0.186 4.283 4.470 -0.001 0.000 0.231 354 S C 1.712 176.288 174.600 -0.040 0.000 0.996 354 S CA 0.658 58.837 58.200 -0.036 0.000 0.942 354 S CB -0.171 63.007 63.200 -0.036 0.000 0.768 354 S HN 0.511 nan 8.310 nan 0.000 0.520 355 Q N 0.647 120.420 119.800 -0.046 0.000 2.360 355 Q HA 0.272 4.611 4.340 -0.001 0.000 0.202 355 Q C -0.370 175.598 176.000 -0.053 0.000 0.915 355 Q CA 0.091 55.866 55.803 -0.047 0.000 0.943 355 Q CB 0.298 29.008 28.738 -0.046 0.000 1.064 355 Q HN 0.508 nan 8.270 nan 0.000 0.511 356 D N -0.640 119.725 120.400 -0.059 0.000 2.278 356 D HA 0.137 4.777 4.640 -0.001 0.000 0.245 356 D C 0.515 176.782 176.300 -0.056 0.000 1.052 356 D CA 0.078 54.038 54.000 -0.067 0.000 0.834 356 D CB 1.562 42.307 40.800 -0.091 0.000 1.194 356 D HN 0.135 nan 8.370 nan 0.000 0.481 357 Q N 3.485 123.252 119.800 -0.055 0.000 2.369 357 Q HA -0.048 4.291 4.340 -0.001 0.000 0.206 357 Q C 1.053 177.022 176.000 -0.053 0.000 0.963 357 Q CA 0.834 56.607 55.803 -0.050 0.000 0.894 357 Q CB -0.256 28.452 28.738 -0.050 0.000 0.965 357 Q HN 0.455 nan 8.270 nan 0.000 0.475 358 R N 2.025 122.489 120.500 -0.059 0.000 2.582 358 R HA 0.344 4.683 4.340 -0.001 0.000 0.271 358 R C -0.382 175.911 176.300 -0.011 0.000 1.078 358 R CA -0.206 55.864 56.100 -0.051 0.000 1.127 358 R CB 0.520 30.789 30.300 -0.051 0.000 1.038 358 R HN 0.679 nan 8.270 nan 0.000 0.500 359 D N 0.047 120.470 120.400 0.037 0.000 2.363 359 D HA -0.072 4.568 4.640 -0.001 0.000 0.240 359 D C 0.786 177.131 176.300 0.074 0.000 1.236 359 D CA -0.273 53.767 54.000 0.067 0.000 0.927 359 D CB 0.596 41.458 40.800 0.104 0.000 1.150 359 D HN 0.446 nan 8.370 nan 0.000 0.458 360 S N -0.388 115.355 115.700 0.072 0.000 2.399 360 S HA -0.292 4.177 4.470 -0.001 0.000 0.231 360 S C 1.648 176.358 174.600 0.183 0.000 1.022 360 S CA 1.227 59.495 58.200 0.113 0.000 0.983 360 S CB -0.553 62.750 63.200 0.173 0.000 0.803 360 S HN 0.609 nan 8.310 nan 0.000 0.480 361 E N 1.745 122.012 120.200 0.112 0.000 2.085 361 E HA -0.223 4.126 4.350 -0.001 0.000 0.194 361 E C 1.937 178.499 176.600 -0.062 0.000 0.994 361 E CA 1.872 58.284 56.400 0.021 0.000 0.801 361 E CB -0.536 29.118 29.700 -0.077 0.000 0.743 361 E HN 0.773 nan 8.360 nan 0.000 0.453 362 H N -0.863 118.223 119.070 0.026 0.000 2.436 362 H HA 0.032 4.587 4.556 -0.001 0.000 0.294 362 H C 2.188 177.468 175.328 -0.081 0.000 1.048 362 H CA 1.235 57.272 56.048 -0.019 0.000 1.353 362 H CB 0.124 29.864 29.762 -0.037 0.000 1.414 362 H HN 0.105 nan 8.280 nan 0.000 0.536 363 V N 0.810 120.702 119.914 -0.038 0.000 2.332 363 V HA -0.261 3.858 4.120 -0.001 0.000 0.248 363 V C 2.137 178.044 176.094 -0.311 0.000 1.055 363 V CA 1.823 63.968 62.300 -0.258 0.000 1.038 363 V CB -0.763 30.830 31.823 -0.383 0.000 0.651 363 V HN 0.222 nan 8.190 nan 0.000 0.450 364 F N 0.711 120.679 119.950 0.030 0.000 2.270 364 F HA -0.078 4.448 4.527 -0.001 0.000 0.295 364 F C 2.711 178.594 175.800 0.138 0.000 1.087 364 F CA 1.124 59.216 58.000 0.154 0.000 1.365 364 F CB -0.429 38.621 39.000 0.082 0.000 1.056 364 F HN 0.219 nan 8.300 nan 0.000 0.506 365 S N 0.332 116.141 115.700 0.182 0.000 2.447 365 S HA -0.076 4.394 4.470 -0.001 0.000 0.233 365 S C 2.061 176.692 174.600 0.053 0.000 1.006 365 S CA 0.661 58.914 58.200 0.089 0.000 0.957 365 S CB -0.606 62.578 63.200 -0.028 0.000 0.773 365 S HN 0.225 nan 8.310 nan 0.000 0.507 366 A N 0.878 123.678 122.820 -0.034 0.000 2.015 366 A HA 0.178 4.497 4.320 -0.001 0.000 0.219 366 A C 1.663 179.167 177.584 -0.132 0.000 1.163 366 A CA 0.870 52.837 52.037 -0.118 0.000 0.646 366 A CB -1.016 17.849 19.000 -0.225 0.000 0.806 366 A HN 0.541 nan 8.150 nan 0.000 0.448 367 F N 0.056 120.031 119.950 0.043 0.000 2.333 367 F HA 0.220 4.746 4.527 -0.001 0.000 0.300 367 F C 1.842 177.666 175.800 0.040 0.000 1.083 367 F CA 0.679 58.708 58.000 0.048 0.000 1.395 367 F CB -0.828 38.214 39.000 0.069 0.000 1.056 367 F HN 0.473 nan 8.300 nan 0.000 0.529 368 G N -0.154 108.753 108.800 0.178 0.000 2.741 368 G HA2 -0.020 3.939 3.960 -0.001 0.000 0.222 368 G HA3 -0.020 3.939 3.960 -0.001 0.000 0.222 368 G C -0.373 174.597 174.900 0.116 0.000 1.364 368 G CA -0.477 44.691 45.100 0.113 0.000 0.866 368 G HN 0.727 nan 8.290 nan 0.000 0.555 369 S N -1.782 113.966 115.700 0.079 0.000 2.661 369 S HA 0.943 5.413 4.470 -0.001 0.000 0.285 369 S C -0.282 174.350 174.600 0.053 0.000 1.138 369 S CA 0.650 58.889 58.200 0.066 0.000 0.855 369 S CB 1.678 64.909 63.200 0.051 0.000 1.136 369 S HN 2.253 nan 8.310 nan 0.000 0.484 370 D N 0.178 120.606 120.400 0.048 0.000 2.497 370 D HA 0.672 5.312 4.640 -0.001 0.000 0.243 370 D C -0.459 175.851 176.300 0.016 0.000 1.039 370 D CA -0.982 53.041 54.000 0.040 0.000 1.052 370 D CB 0.566 41.404 40.800 0.062 0.000 1.344 370 D HN 0.619 nan 8.370 nan 0.000 0.553 371 I N 1.474 122.045 120.570 0.001 0.000 2.452 371 I HA 0.392 4.562 4.170 -0.001 0.000 0.287 371 I C 0.602 176.689 176.117 -0.049 0.000 1.079 371 I CA -0.058 61.229 61.300 -0.022 0.000 1.387 371 I CB 0.150 38.133 38.000 -0.027 0.000 1.404 371 I HN 0.382 nan 8.210 nan 0.000 0.522 372 S N 5.108 120.774 115.700 -0.058 0.000 2.521 372 S HA 0.630 5.100 4.470 -0.001 0.000 0.295 372 S C -0.085 174.454 174.600 -0.102 0.000 1.098 372 S CA -0.553 57.590 58.200 -0.095 0.000 0.999 372 S CB 1.541 64.696 63.200 -0.074 0.000 1.034 372 S HN 0.756 nan 8.310 nan 0.000 0.483 373 T N 2.594 117.069 114.554 -0.132 0.000 2.913 373 T HA 0.632 4.982 4.350 -0.001 0.000 0.287 373 T C -2.378 172.237 174.700 -0.142 0.000 1.008 373 T CA -1.418 60.615 62.100 -0.112 0.000 1.067 373 T CB 0.520 69.339 68.868 -0.082 0.000 0.996 373 T HN 0.544 nan 8.240 nan 0.000 0.513 374 P HA 0.139 nan 4.420 nan 0.000 0.271 374 P C -0.177 177.032 177.300 -0.152 0.000 1.244 374 P CA -0.414 62.605 63.100 -0.134 0.000 0.793 374 P CB 0.352 32.005 31.700 -0.078 0.000 0.984 375 E N 0.442 120.545 120.200 -0.162 0.000 2.376 375 E HA 0.147 4.497 4.350 -0.001 0.000 0.266 375 E C -0.666 175.876 176.600 -0.097 0.000 1.009 375 E CA -0.200 56.109 56.400 -0.152 0.000 0.902 375 E CB -0.038 29.586 29.700 -0.127 0.000 0.972 375 E HN 0.248 nan 8.360 nan 0.000 0.439 376 I N 4.588 125.096 120.570 -0.103 0.000 2.354 376 I HA 0.236 4.405 4.170 -0.001 0.000 0.292 376 I C -0.475 175.646 176.117 0.007 0.000 0.989 376 I CA -0.792 60.495 61.300 -0.021 0.000 1.188 376 I CB 1.504 39.510 38.000 0.011 0.000 1.342 376 I HN 0.448 nan 8.210 nan 0.000 0.457 377 N N 7.068 125.791 118.700 0.037 0.000 2.372 377 N HA 0.599 5.339 4.740 -0.001 0.000 0.291 377 N C -0.959 174.594 175.510 0.071 0.000 1.024 377 N CA -0.384 52.692 53.050 0.043 0.000 0.873 377 N CB 2.096 40.598 38.487 0.026 0.000 1.206 377 N HN 0.399 nan 8.380 nan 0.000 0.486 378 I N 1.267 121.883 120.570 0.076 0.000 2.411 378 I HA 0.219 4.389 4.170 -0.001 0.000 0.284 378 I C -0.080 176.063 176.117 0.043 0.000 1.012 378 I CA -0.648 60.696 61.300 0.073 0.000 1.119 378 I CB 1.406 39.468 38.000 0.103 0.000 1.261 378 I HN 0.215 nan 8.210 nan 0.000 0.448 379 T N 6.235 120.807 114.554 0.030 0.000 2.834 379 T HA 0.303 4.653 4.350 -0.001 0.000 0.298 379 T C 0.718 175.425 174.700 0.012 0.000 0.966 379 T CA -0.409 61.700 62.100 0.016 0.000 1.141 379 T CB 1.057 69.933 68.868 0.014 0.000 0.905 379 T HN 0.482 nan 8.240 nan 0.000 0.535 380 V N 1.141 121.055 119.914 -0.000 0.000 6.168 380 V HA 0.854 4.973 4.120 -0.001 0.000 0.275 380 V C 0.482 176.568 176.094 -0.013 0.000 1.598 380 V CA -0.467 61.831 62.300 -0.004 0.000 0.646 380 V CB 0.800 32.619 31.823 -0.007 0.000 1.463 380 V HN 0.862 nan 8.190 nan 0.000 0.394 381 T N -3.367 111.173 114.554 -0.023 0.000 2.907 381 T HA 0.546 4.896 4.350 -0.001 0.000 0.290 381 T C 0.436 175.106 174.700 -0.050 0.000 1.066 381 T CA 0.277 62.362 62.100 -0.024 0.000 1.012 381 T CB 2.121 70.984 68.868 -0.009 0.000 1.184 381 T HN 0.695 nan 8.240 nan 0.000 0.522 382 E N 0.119 120.295 120.200 -0.041 0.000 2.208 382 E HA -0.056 4.294 4.350 -0.001 0.000 0.193 382 E C 1.314 177.891 176.600 -0.038 0.000 0.988 382 E CA 1.273 57.638 56.400 -0.058 0.000 0.828 382 E CB -0.308 29.380 29.700 -0.020 0.000 0.763 382 E HN 0.653 nan 8.360 nan 0.000 0.478 383 D N -0.846 119.549 120.400 -0.009 0.000 2.117 383 D HA -0.096 4.544 4.640 -0.001 0.000 0.198 383 D C 1.773 178.083 176.300 0.017 0.000 0.982 383 D CA 1.633 55.643 54.000 0.015 0.000 0.828 383 D CB -0.188 40.623 40.800 0.018 0.000 0.967 383 D HN 0.294 nan 8.370 nan 0.000 0.464 384 S N -0.646 115.051 115.700 -0.005 0.000 2.517 384 S HA 0.079 4.548 4.470 -0.001 0.000 0.214 384 S C 1.631 176.222 174.600 -0.014 0.000 0.991 384 S CA -0.117 58.086 58.200 0.005 0.000 0.906 384 S CB 0.607 63.811 63.200 0.006 0.000 0.789 384 S HN 0.029 nan 8.310 nan 0.000 0.513 385 K N 1.186 121.528 120.400 -0.097 0.000 1.988 385 K HA -0.140 4.179 4.320 -0.001 0.000 0.221 385 K C 1.486 177.996 176.600 -0.151 0.000 1.053 385 K CA 2.273 58.433 56.287 -0.213 0.000 0.959 385 K CB -0.449 31.766 32.500 -0.474 0.000 0.728 385 K HN 0.481 nan 8.250 nan 0.000 0.447 386 F N 0.225 120.199 119.950 0.039 0.000 2.259 386 F HA -0.074 4.453 4.527 -0.001 0.000 0.298 386 F C 2.416 178.239 175.800 0.039 0.000 1.088 386 F CA 0.435 58.457 58.000 0.037 0.000 1.358 386 F CB -0.175 38.843 39.000 0.029 0.000 1.040 386 F HN 0.215 nan 8.300 nan 0.000 0.505 387 A N 0.568 123.507 122.820 0.199 0.000 1.972 387 A HA -0.143 4.176 4.320 -0.001 0.000 0.219 387 A C 2.103 179.749 177.584 0.103 0.000 1.169 387 A CA 1.430 53.544 52.037 0.128 0.000 0.635 387 A CB -0.965 18.090 19.000 0.091 0.000 0.810 387 A HN 0.408 nan 8.150 nan 0.000 0.446 388 I N -0.132 120.494 120.570 0.093 0.000 2.202 388 I HA -0.212 3.958 4.170 -0.001 0.000 0.242 388 I C 2.135 178.324 176.117 0.121 0.000 1.091 388 I CA 0.764 62.118 61.300 0.090 0.000 1.368 388 I CB -0.276 37.771 38.000 0.078 0.000 1.058 388 I HN 0.210 nan 8.210 nan 0.000 0.410 389 I N 0.898 121.555 120.570 0.144 0.000 2.151 389 I HA -0.304 3.866 4.170 -0.001 0.000 0.243 389 I C 2.476 178.680 176.117 0.145 0.000 1.080 389 I CA 1.820 63.218 61.300 0.163 0.000 1.339 389 I CB -1.335 36.780 38.000 0.191 0.000 1.039 389 I HN 0.341 nan 8.210 nan 0.000 0.409 390 E N 0.608 120.888 120.200 0.133 0.000 2.110 390 E HA -0.158 4.192 4.350 -0.001 0.000 0.193 390 E C 2.349 179.001 176.600 0.086 0.000 0.988 390 E CA 1.332 57.792 56.400 0.100 0.000 0.804 390 E CB -0.145 29.607 29.700 0.087 0.000 0.745 390 E HN 0.506 nan 8.360 nan 0.000 0.458 391 A N 0.983 123.852 122.820 0.082 0.000 1.908 391 A HA -0.191 4.129 4.320 -0.001 0.000 0.218 391 A C 2.155 179.777 177.584 0.064 0.000 1.181 391 A CA 1.138 53.211 52.037 0.059 0.000 0.627 391 A CB -0.669 18.360 19.000 0.048 0.000 0.818 391 A HN 0.143 nan 8.150 nan 0.000 0.445 392 L N -1.004 120.281 121.223 0.104 0.000 1.989 392 L HA -0.280 4.059 4.340 -0.001 0.000 0.211 392 L C 2.886 179.873 176.870 0.196 0.000 1.071 392 L CA 1.854 56.786 54.840 0.154 0.000 0.749 392 L CB -0.765 41.453 42.059 0.266 0.000 0.890 392 L HN 0.464 nan 8.230 nan 0.000 0.431 393 Q N -0.733 119.175 119.800 0.180 0.000 2.234 393 Q HA -0.246 4.093 4.340 -0.001 0.000 0.206 393 Q C 2.269 178.339 176.000 0.117 0.000 0.980 393 Q CA 1.449 57.347 55.803 0.158 0.000 0.869 393 Q CB -0.073 28.727 28.738 0.104 0.000 0.912 393 Q HN 0.379 nan 8.270 nan 0.000 0.436 394 R N -0.189 120.361 120.500 0.083 0.000 2.074 394 R HA -0.052 4.288 4.340 -0.001 0.000 0.218 394 R C 0.836 177.153 176.300 0.028 0.000 1.137 394 R CA 1.175 57.305 56.100 0.050 0.000 0.998 394 R CB 0.509 30.831 30.300 0.037 0.000 0.895 394 R HN 0.120 nan 8.270 nan 0.000 0.442 395 D N -0.129 120.274 120.400 0.004 0.000 2.454 395 D HA 0.173 4.812 4.640 -0.001 0.000 0.214 395 D C -0.278 175.947 176.300 -0.125 0.000 1.088 395 D CA 0.134 54.107 54.000 -0.044 0.000 0.855 395 D CB 0.826 41.600 40.800 -0.043 0.000 1.025 395 D HN 0.223 nan 8.370 nan 0.000 0.502 396 A N 0.772 123.487 122.820 -0.175 0.000 2.498 396 A HA 0.452 4.772 4.320 -0.001 0.000 0.239 396 A C 0.550 177.758 177.584 -0.627 0.000 1.068 396 A CA 0.165 51.901 52.037 -0.503 0.000 0.766 396 A CB -0.071 18.513 19.000 -0.693 0.000 1.003 396 A HN 0.162 nan 8.150 nan 0.000 0.497 397 Q N 1.011 120.395 119.800 -0.692 0.000 2.340 397 Q HA 0.482 4.821 4.340 -0.001 0.000 0.259 397 Q C -0.198 175.489 176.000 -0.523 0.000 0.964 397 Q CA -0.374 55.162 55.803 -0.445 0.000 0.900 397 Q CB 0.219 28.820 28.738 -0.229 0.000 1.228 397 Q HN 0.937 nan 8.270 nan 0.000 0.449 398 W N 1.665 122.980 121.300 0.026 0.000 3.008 398 W HA 0.441 5.101 4.660 -0.001 0.000 0.355 398 W C 1.421 178.055 176.519 0.192 0.000 1.095 398 W CA 0.320 57.716 57.345 0.085 0.000 1.738 398 W CB 0.934 30.401 29.460 0.012 0.000 1.091 398 W HN 1.379 nan 8.180 nan 0.000 0.574 399 G N 1.974 110.939 108.800 0.275 0.000 2.559 399 G HA2 -0.375 3.585 3.960 -0.001 0.000 0.282 399 G HA3 -0.375 3.585 3.960 -0.001 0.000 0.282 399 G C 0.634 175.672 174.900 0.231 0.000 1.177 399 G CA 0.742 45.982 45.100 0.233 0.000 0.960 399 G HN 0.322 nan 8.290 nan 0.000 0.540 400 E N 1.543 121.911 120.200 0.280 0.000 2.476 400 E HA 0.392 4.741 4.350 -0.001 0.000 0.196 400 E C 1.416 178.111 176.600 0.160 0.000 1.029 400 E CA 0.145 56.666 56.400 0.202 0.000 0.896 400 E CB 0.430 30.235 29.700 0.175 0.000 1.012 400 E HN 0.767 nan 8.360 nan 0.000 0.475 401 G N 1.826 110.698 108.800 0.120 0.000 2.474 401 G HA2 -0.151 3.809 3.960 -0.001 0.000 0.233 401 G HA3 -0.151 3.809 3.960 -0.001 0.000 0.233 401 G C 0.089 174.889 174.900 -0.165 0.000 1.278 401 G CA -0.295 44.594 45.100 -0.353 0.000 0.861 401 G HN 0.104 nan 8.290 nan 0.000 0.567 402 N N 1.376 119.966 118.700 -0.184 0.000 2.401 402 N HA 0.090 4.829 4.740 -0.001 0.000 0.255 402 N C -0.043 175.368 175.510 -0.165 0.000 1.110 402 N CA -0.156 52.825 53.050 -0.115 0.000 0.949 402 N CB 0.345 38.788 38.487 -0.074 0.000 1.110 402 N HN 0.307 nan 8.380 nan 0.000 0.490 403 I N 2.494 122.983 120.570 -0.135 0.000 2.331 403 I HA 0.155 4.325 4.170 -0.001 0.000 0.292 403 I C 0.284 176.331 176.117 -0.117 0.000 0.998 403 I CA -0.340 60.853 61.300 -0.179 0.000 1.267 403 I CB 1.455 39.373 38.000 -0.137 0.000 1.386 403 I HN 0.238 nan 8.210 nan 0.000 0.476 404 T N 3.110 117.586 114.554 -0.129 0.000 2.792 404 T HA 0.321 4.670 4.350 -0.001 0.000 0.280 404 T C 0.581 175.227 174.700 -0.091 0.000 0.990 404 T CA -0.590 61.455 62.100 -0.093 0.000 0.960 404 T CB 1.251 70.065 68.868 -0.091 0.000 0.939 404 T HN 0.744 nan 8.240 nan 0.000 0.439 405 T N 0.814 115.324 114.554 -0.073 0.000 3.266 405 T HA 0.287 4.636 4.350 -0.001 0.000 0.278 405 T C 1.621 176.266 174.700 -0.091 0.000 1.010 405 T CA -0.356 61.709 62.100 -0.058 0.000 0.909 405 T CB -0.438 68.417 68.868 -0.022 0.000 1.122 405 T HN 0.397 nan 8.240 nan 0.000 0.536 406 L N 0.608 121.745 121.223 -0.144 0.000 2.127 406 L HA 0.095 4.435 4.340 -0.001 0.000 0.211 406 L C 0.754 177.475 176.870 -0.247 0.000 1.089 406 L CA 1.259 55.943 54.840 -0.261 0.000 0.757 406 L CB -0.008 41.815 42.059 -0.392 0.000 0.899 406 L HN 0.384 nan 8.230 nan 0.000 0.434 407 D N -0.973 119.331 120.400 -0.160 0.000 2.362 407 D HA 0.359 4.998 4.640 -0.001 0.000 0.232 407 D C 0.080 176.361 176.300 -0.032 0.000 1.329 407 D CA 0.840 54.778 54.000 -0.104 0.000 0.944 407 D CB 0.473 41.188 40.800 -0.141 0.000 1.471 407 D HN 0.218 nan 8.370 nan 0.000 0.533 408 G N 1.155 109.963 108.800 0.014 0.000 2.562 408 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.250 408 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.250 408 G C -0.865 174.054 174.900 0.032 0.000 1.269 408 G CA -0.041 45.092 45.100 0.056 0.000 0.919 408 G HN 0.845 nan 8.290 nan 0.000 0.574 409 V N 1.326 121.270 119.914 0.050 0.000 2.376 409 V HA 0.632 4.751 4.120 -0.001 0.000 0.287 409 V C 0.526 176.607 176.094 -0.022 0.000 1.015 409 V CA -0.364 61.925 62.300 -0.018 0.000 0.834 409 V CB 1.387 33.208 31.823 -0.003 0.000 1.001 409 V HN 0.847 nan 8.190 nan 0.000 0.428 410 R N 3.701 124.163 120.500 -0.064 0.000 2.346 410 R HA 0.777 5.116 4.340 -0.001 0.000 0.311 410 R C -1.542 174.682 176.300 -0.127 0.000 0.983 410 R CA -0.389 55.709 56.100 -0.004 0.000 0.880 410 R CB 1.832 32.134 30.300 0.003 0.000 1.100 410 R HN 0.515 nan 8.270 nan 0.000 0.453 411 V N 4.293 124.182 119.914 -0.041 0.000 2.444 411 V HA 0.262 4.382 4.120 -0.001 0.000 0.294 411 V C -0.621 175.415 176.094 -0.097 0.000 1.022 411 V CA -0.830 61.326 62.300 -0.239 0.000 0.850 411 V CB 1.745 33.262 31.823 -0.510 0.000 0.992 411 V HN 0.790 nan 8.190 nan 0.000 0.426 412 D N 3.899 124.194 120.400 -0.174 0.000 2.280 412 D HA 0.432 5.072 4.640 -0.001 0.000 0.236 412 D C -0.897 175.302 176.300 -0.168 0.000 1.082 412 D CA 0.022 53.998 54.000 -0.041 0.000 0.834 412 D CB 1.933 42.714 40.800 -0.032 0.000 1.100 412 D HN 0.437 nan 8.370 nan 0.000 0.486 413 Y N 1.191 121.593 120.300 0.171 0.000 2.545 413 Y HA 0.218 4.767 4.550 -0.001 0.000 0.324 413 Y C -1.087 174.880 175.900 0.112 0.000 1.220 413 Y CA -1.804 56.379 58.100 0.138 0.000 1.290 413 Y CB 0.516 39.068 38.460 0.154 0.000 1.355 413 Y HN 0.244 nan 8.280 nan 0.000 0.516 414 P HA -0.121 nan 4.420 nan 0.000 0.216 414 P C 0.716 178.107 177.300 0.151 0.000 1.150 414 P CA 2.094 65.292 63.100 0.163 0.000 0.837 414 P CB 0.156 31.935 31.700 0.132 0.000 0.786 415 K N -0.490 120.012 120.400 0.170 0.000 2.455 415 K HA 0.585 4.904 4.320 -0.001 0.000 0.206 415 K C 0.640 177.335 176.600 0.158 0.000 1.027 415 K CA 0.434 56.799 56.287 0.130 0.000 1.113 415 K CB 0.154 32.704 32.500 0.082 0.000 0.850 415 K HN 0.385 nan 8.250 nan 0.000 0.503 416 G N -0.273 108.675 108.800 0.247 0.000 2.315 416 G HA2 0.466 4.426 3.960 -0.001 0.000 0.294 416 G HA3 0.466 4.426 3.960 -0.001 0.000 0.294 416 G C -1.803 173.367 174.900 0.451 0.000 1.300 416 G CA -0.097 45.176 45.100 0.288 0.000 0.843 416 G HN 0.762 nan 8.290 nan 0.000 0.527 417 W N -0.521 120.875 121.300 0.160 0.000 3.074 417 W HA 0.795 5.455 4.660 -0.001 0.000 0.332 417 W C -0.527 176.045 176.519 0.087 0.000 1.253 417 W CA -1.124 56.304 57.345 0.138 0.000 1.180 417 W CB 1.265 30.737 29.460 0.020 0.000 1.445 417 W HN 1.626 nan 8.180 nan 0.000 0.573 418 G N 1.140 109.984 108.800 0.073 0.000 2.659 418 G HA2 0.669 4.629 3.960 -0.001 0.000 0.296 418 G HA3 0.669 4.629 3.960 -0.001 0.000 0.296 418 G C -2.676 171.957 174.900 -0.445 0.000 1.369 418 G CA -0.938 43.774 45.100 -0.646 0.000 0.937 418 G HN 0.778 nan 8.290 nan 0.000 0.485 419 L N 1.139 121.902 121.223 -0.766 0.000 2.422 419 L HA 0.895 5.235 4.340 -0.001 0.000 0.264 419 L C -1.371 175.330 176.870 -0.282 0.000 0.984 419 L CA -1.017 53.691 54.840 -0.220 0.000 0.819 419 L CB 2.357 44.443 42.059 0.045 0.000 1.330 419 L HN 0.693 nan 8.230 nan 0.000 0.410 420 V N 5.527 125.474 119.914 0.055 0.000 2.623 420 V HA 0.822 4.941 4.120 -0.001 0.000 0.304 420 V C -1.042 175.112 176.094 0.100 0.000 1.054 420 V CA -0.233 62.123 62.300 0.094 0.000 0.882 420 V CB 1.766 33.773 31.823 0.306 0.000 1.002 420 V HN 1.067 nan 8.190 nan 0.000 0.424 421 R N 5.282 125.822 120.500 0.065 0.000 2.817 421 R HA 0.948 5.288 4.340 -0.001 0.000 0.268 421 R C -0.954 175.392 176.300 0.077 0.000 1.027 421 R CA -0.568 55.579 56.100 0.078 0.000 0.928 421 R CB 2.048 32.382 30.300 0.056 0.000 1.228 421 R HN 0.868 nan 8.270 nan 0.000 0.469 422 A N 1.055 123.938 122.820 0.105 0.000 2.290 422 A HA 0.393 4.712 4.320 -0.001 0.000 0.310 422 A C -0.061 177.555 177.584 0.054 0.000 1.202 422 A CA -0.540 51.523 52.037 0.042 0.000 0.837 422 A CB 1.214 20.211 19.000 -0.005 0.000 1.139 422 A HN 0.674 nan 8.150 nan 0.000 0.509 423 S N 1.775 117.476 115.700 0.001 0.000 2.537 423 S HA 0.269 4.738 4.470 -0.001 0.000 0.286 423 S C 1.518 176.141 174.600 0.039 0.000 1.299 423 S CA 0.430 58.647 58.200 0.028 0.000 1.067 423 S CB -0.145 63.061 63.200 0.011 0.000 0.864 423 S HN 1.158 nan 8.310 nan 0.000 0.494 424 N N 2.413 121.185 118.700 0.119 0.000 2.409 424 N HA -0.055 4.684 4.740 -0.001 0.000 0.179 424 N C 1.682 177.263 175.510 0.118 0.000 1.032 424 N CA 1.364 54.517 53.050 0.173 0.000 0.898 424 N CB -0.655 37.944 38.487 0.186 0.000 0.971 424 N HN 0.852 nan 8.380 nan 0.000 0.441 425 T N -3.914 110.692 114.554 0.088 0.000 3.023 425 T HA 0.234 4.584 4.350 -0.001 0.000 0.253 425 T C 0.704 175.433 174.700 0.048 0.000 1.038 425 T CA 0.826 62.971 62.100 0.075 0.000 0.962 425 T CB -0.302 68.618 68.868 0.087 0.000 1.018 425 T HN 0.558 nan 8.240 nan 0.000 0.521 426 T N -0.510 114.058 114.554 0.023 0.000 2.896 426 T HA 0.571 4.921 4.350 -0.001 0.000 0.297 426 T C -3.257 171.422 174.700 -0.035 0.000 1.108 426 T CA -1.899 60.205 62.100 0.006 0.000 1.004 426 T CB 2.114 70.994 68.868 0.020 0.000 1.159 426 T HN -0.205 nan 8.240 nan 0.000 0.499 427 P HA 0.363 nan 4.420 nan 0.000 0.225 427 P C -0.810 176.461 177.300 -0.048 0.000 1.768 427 P CA -0.232 62.831 63.100 -0.061 0.000 0.943 427 P CB -0.380 31.300 31.700 -0.035 0.000 1.936 428 V N 2.024 121.907 119.914 -0.052 0.000 2.760 428 V HA 0.323 4.442 4.120 -0.001 0.000 0.309 428 V C 0.207 176.291 176.094 -0.017 0.000 1.077 428 V CA -0.862 61.427 62.300 -0.018 0.000 0.910 428 V CB 2.764 34.588 31.823 0.001 0.000 1.008 428 V HN 0.104 nan 8.190 nan 0.000 0.424 429 L N 4.249 125.480 121.223 0.013 0.000 2.292 429 L HA 0.603 4.942 4.340 -0.001 0.000 0.284 429 L C -0.576 176.318 176.870 0.040 0.000 1.065 429 L CA -0.667 54.195 54.840 0.037 0.000 0.806 429 L CB 1.652 43.757 42.059 0.077 0.000 1.175 429 L HN 0.359 nan 8.230 nan 0.000 0.431 430 V N 5.216 125.143 119.914 0.022 0.000 2.384 430 V HA 0.444 4.563 4.120 -0.001 0.000 0.287 430 V C -0.047 176.006 176.094 -0.069 0.000 1.020 430 V CA -0.415 61.877 62.300 -0.013 0.000 0.850 430 V CB 1.666 33.483 31.823 -0.009 0.000 0.987 430 V HN 0.465 nan 8.190 nan 0.000 0.436 431 L N 5.154 126.289 121.223 -0.148 0.000 2.333 431 L HA 0.772 5.112 4.340 -0.001 0.000 0.269 431 L C -0.095 176.445 176.870 -0.550 0.000 1.010 431 L CA -0.411 54.195 54.840 -0.391 0.000 0.818 431 L CB 1.872 43.676 42.059 -0.424 0.000 1.306 431 L HN 0.550 nan 8.230 nan 0.000 0.430 432 R N 0.946 120.897 120.500 -0.915 0.000 2.668 432 R HA 0.731 5.071 4.340 -0.001 0.000 0.272 432 R C -2.014 173.377 176.300 -1.514 0.000 1.019 432 R CA -0.571 54.993 56.100 -0.894 0.000 0.894 432 R CB 1.778 31.770 30.300 -0.513 0.000 1.228 432 R HN 0.495 nan 8.270 nan 0.000 0.460 433 F N 0.554 120.005 119.950 -0.833 0.000 2.613 433 F HA 0.496 5.023 4.527 -0.001 0.000 0.310 433 F C -0.229 175.061 175.800 -0.850 0.000 1.085 433 F CA -0.633 56.803 58.000 -0.940 0.000 0.945 433 F CB 2.670 41.263 39.000 -0.678 0.000 1.298 433 F HN 0.398 nan 8.300 nan 0.000 0.455 434 E N 0.913 120.700 120.200 -0.689 0.000 2.390 434 E HA 0.835 5.185 4.350 -0.001 0.000 0.280 434 E C -1.817 174.675 176.600 -0.181 0.000 0.992 434 E CA -0.934 55.229 56.400 -0.395 0.000 0.790 434 E CB 2.824 32.313 29.700 -0.350 0.000 1.248 434 E HN 0.811 nan 8.360 nan 0.000 0.447 435 A N 1.531 124.324 122.820 -0.046 0.000 2.597 435 A HA 0.331 4.650 4.320 -0.001 0.000 0.292 435 A C -1.003 176.598 177.584 0.029 0.000 1.057 435 A CA -0.427 51.623 52.037 0.021 0.000 0.674 435 A CB 0.960 19.956 19.000 -0.007 0.000 1.278 435 A HN 0.742 nan 8.150 nan 0.000 0.416 436 D N -0.121 120.306 120.400 0.044 0.000 2.355 436 D HA 0.182 4.821 4.640 -0.001 0.000 0.218 436 D C 0.815 177.126 176.300 0.018 0.000 1.004 436 D CA 1.366 55.387 54.000 0.035 0.000 0.880 436 D CB 0.056 40.882 40.800 0.043 0.000 0.911 436 D HN 0.748 nan 8.370 nan 0.000 0.528 437 T N -5.750 108.808 114.554 0.007 0.000 2.887 437 T HA 0.603 4.952 4.350 -0.001 0.000 0.292 437 T C 1.058 175.747 174.700 -0.018 0.000 1.087 437 T CA -0.235 61.863 62.100 -0.003 0.000 1.009 437 T CB 1.465 70.332 68.868 -0.002 0.000 1.203 437 T HN -0.109 nan 8.240 nan 0.000 0.518 438 E N 0.478 120.666 120.200 -0.020 0.000 2.106 438 E HA -0.063 4.286 4.350 -0.001 0.000 0.192 438 E C 1.693 178.271 176.600 -0.036 0.000 0.984 438 E CA 1.821 58.203 56.400 -0.030 0.000 0.806 438 E CB -1.054 28.632 29.700 -0.024 0.000 0.750 438 E HN 0.903 nan 8.360 nan 0.000 0.458 439 E N -0.099 120.084 120.200 -0.028 0.000 2.106 439 E HA -0.074 4.276 4.350 -0.001 0.000 0.192 439 E C 2.146 178.722 176.600 -0.040 0.000 0.984 439 E CA 1.268 57.650 56.400 -0.031 0.000 0.806 439 E CB 0.009 29.696 29.700 -0.022 0.000 0.750 439 E HN 0.541 nan 8.360 nan 0.000 0.458 440 E N 0.446 120.625 120.200 -0.036 0.000 2.072 440 E HA -0.121 4.229 4.350 -0.001 0.000 0.190 440 E C 1.797 178.358 176.600 -0.063 0.000 0.982 440 E CA 0.476 56.851 56.400 -0.042 0.000 0.803 440 E CB -0.190 29.501 29.700 -0.015 0.000 0.755 440 E HN 0.207 nan 8.360 nan 0.000 0.453 441 L N 0.824 122.005 121.223 -0.071 0.000 2.046 441 L HA -0.135 4.205 4.340 -0.001 0.000 0.208 441 L C 2.191 178.966 176.870 -0.157 0.000 1.077 441 L CA 2.003 56.772 54.840 -0.117 0.000 0.747 441 L CB -0.527 41.465 42.059 -0.111 0.000 0.896 441 L HN 0.110 nan 8.230 nan 0.000 0.432 442 E N -0.119 120.014 120.200 -0.110 0.000 2.110 442 E HA -0.211 4.139 4.350 -0.001 0.000 0.193 442 E C 2.329 178.875 176.600 -0.090 0.000 0.988 442 E CA 1.374 57.714 56.400 -0.100 0.000 0.804 442 E CB -0.103 29.559 29.700 -0.062 0.000 0.745 442 E HN 0.416 nan 8.360 nan 0.000 0.458 443 R N -0.243 120.208 120.500 -0.082 0.000 2.073 443 R HA -0.065 4.274 4.340 -0.001 0.000 0.234 443 R C 2.531 178.789 176.300 -0.070 0.000 1.134 443 R CA 1.678 57.732 56.100 -0.076 0.000 0.952 443 R CB -0.420 29.825 30.300 -0.092 0.000 0.850 443 R HN 0.287 nan 8.270 nan 0.000 0.433 444 I N 0.744 121.261 120.570 -0.089 0.000 2.202 444 I HA -0.276 3.893 4.170 -0.001 0.000 0.242 444 I C 2.210 178.315 176.117 -0.021 0.000 1.091 444 I CA 1.363 62.675 61.300 0.018 0.000 1.368 444 I CB -0.259 37.775 38.000 0.057 0.000 1.058 444 I HN 0.089 nan 8.210 nan 0.000 0.410 445 K N 0.490 120.642 120.400 -0.413 0.000 2.059 445 K HA -0.198 4.121 4.320 -0.001 0.000 0.212 445 K C 2.103 178.728 176.600 0.042 0.000 1.050 445 K CA 2.308 58.252 56.287 -0.570 0.000 0.927 445 K CB -0.401 31.811 32.500 -0.480 0.000 0.714 445 K HN 0.289 nan 8.250 nan 0.000 0.447 446 T N 0.682 115.259 114.554 0.039 0.000 2.720 446 T HA -0.145 4.204 4.350 -0.001 0.000 0.268 446 T C 1.926 176.715 174.700 0.148 0.000 1.037 446 T CA 1.454 63.602 62.100 0.081 0.000 1.144 446 T CB -0.278 68.602 68.868 0.020 0.000 0.864 446 T HN -0.041 nan 8.240 nan 0.000 0.444 447 V N 0.684 120.718 119.914 0.200 0.000 2.287 447 V HA -0.150 3.970 4.120 -0.001 0.000 0.248 447 V C 2.144 178.439 176.094 0.334 0.000 1.053 447 V CA 1.720 64.168 62.300 0.246 0.000 1.027 447 V CB -0.756 31.267 31.823 0.333 0.000 0.646 447 V HN 0.389 nan 8.190 nan 0.000 0.447 448 F N 0.178 120.378 119.950 0.416 0.000 2.186 448 F HA -0.092 4.434 4.527 -0.001 0.000 0.299 448 F C 2.573 178.632 175.800 0.432 0.000 1.090 448 F CA 1.875 60.216 58.000 0.568 0.000 1.307 448 F CB -0.557 38.882 39.000 0.730 0.000 1.019 448 F HN -0.010 nan 8.300 nan 0.000 0.489 449 R N 0.540 121.356 120.500 0.527 0.000 2.073 449 R HA -0.180 4.160 4.340 -0.001 0.000 0.234 449 R C 1.998 178.342 176.300 0.074 0.000 1.134 449 R CA 1.890 58.092 56.100 0.170 0.000 0.952 449 R CB -0.295 30.004 30.300 -0.002 0.000 0.850 449 R HN 0.151 nan 8.270 nan 0.000 0.433 450 N N 0.307 119.046 118.700 0.065 0.000 2.166 450 N HA -0.146 4.594 4.740 -0.001 0.000 0.186 450 N C 1.653 177.130 175.510 -0.055 0.000 1.019 450 N CA 1.134 54.178 53.050 -0.010 0.000 0.856 450 N CB -0.161 38.311 38.487 -0.025 0.000 0.993 450 N HN 0.312 nan 8.380 nan 0.000 0.426 451 Q N 0.311 120.060 119.800 -0.085 0.000 2.187 451 Q HA 0.105 4.444 4.340 -0.001 0.000 0.199 451 Q C 2.307 178.271 176.000 -0.060 0.000 0.957 451 Q CA 0.417 56.097 55.803 -0.205 0.000 0.857 451 Q CB -0.229 28.167 28.738 -0.570 0.000 0.929 451 Q HN 0.419 nan 8.270 nan 0.000 0.453 452 L N 0.575 121.836 121.223 0.064 0.000 2.056 452 L HA -0.151 4.189 4.340 -0.001 0.000 0.207 452 L C 2.201 179.087 176.870 0.027 0.000 1.078 452 L CA 0.975 55.869 54.840 0.091 0.000 0.749 452 L CB -0.279 41.880 42.059 0.166 0.000 0.901 452 L HN 0.046 nan 8.230 nan 0.000 0.433 453 K N 0.071 120.471 120.400 -0.000 0.000 2.288 453 K HA 0.002 4.321 4.320 -0.001 0.000 0.201 453 K C 2.039 178.622 176.600 -0.028 0.000 1.048 453 K CA 1.099 57.373 56.287 -0.021 0.000 0.956 453 K CB -0.210 32.269 32.500 -0.036 0.000 0.746 453 K HN 0.257 nan 8.250 nan 0.000 0.461 454 A N 0.826 123.621 122.820 -0.041 0.000 1.929 454 A HA -0.068 4.251 4.320 -0.001 0.000 0.216 454 A C 2.414 179.976 177.584 -0.036 0.000 1.176 454 A CA 1.029 53.035 52.037 -0.052 0.000 0.628 454 A CB -0.415 18.532 19.000 -0.089 0.000 0.816 454 A HN 0.021 nan 8.150 nan 0.000 0.444 455 V N 0.236 120.137 119.914 -0.023 0.000 2.223 455 V HA -0.105 4.015 4.120 -0.001 0.000 0.244 455 V C 0.812 176.907 176.094 0.001 0.000 1.045 455 V CA 2.116 64.414 62.300 -0.002 0.000 1.000 455 V CB -0.429 31.408 31.823 0.022 0.000 0.635 455 V HN 0.650 nan 8.190 nan 0.000 0.445 456 D N -1.432 118.971 120.400 0.004 0.000 2.575 456 D HA 0.206 4.845 4.640 -0.001 0.000 0.250 456 D C 0.851 177.147 176.300 -0.006 0.000 1.279 456 D CA 0.395 54.396 54.000 0.001 0.000 0.925 456 D CB 1.763 42.569 40.800 0.010 0.000 1.261 456 D HN 0.189 nan 8.370 nan 0.000 0.567 457 S N 1.562 117.254 115.700 -0.012 0.000 2.547 457 S HA -0.076 4.394 4.470 -0.001 0.000 0.235 457 S C 1.308 175.897 174.600 -0.020 0.000 0.980 457 S CA 0.608 58.797 58.200 -0.019 0.000 0.941 457 S CB 0.066 63.254 63.200 -0.020 0.000 0.763 457 S HN 0.213 nan 8.310 nan 0.000 0.532 458 S N 0.552 116.244 115.700 -0.014 0.000 2.517 458 S HA 0.360 4.829 4.470 -0.001 0.000 0.214 458 S C 0.286 174.877 174.600 -0.014 0.000 0.991 458 S CA -0.491 57.701 58.200 -0.013 0.000 0.906 458 S CB -0.254 62.941 63.200 -0.008 0.000 0.789 458 S HN 0.369 nan 8.310 nan 0.000 0.513 459 L N 4.397 125.614 121.223 -0.011 0.000 2.540 459 L HA 0.167 4.507 4.340 -0.001 0.000 0.276 459 L C -2.259 174.596 176.870 -0.025 0.000 1.212 459 L CA -1.667 53.169 54.840 -0.006 0.000 0.893 459 L CB -0.242 41.822 42.059 0.008 0.000 1.138 459 L HN 0.019 nan 8.230 nan 0.000 0.491 460 P HA 0.115 nan 4.420 nan 0.000 0.275 460 P C -0.927 176.339 177.300 -0.057 0.000 1.276 460 P CA -0.243 62.837 63.100 -0.033 0.000 0.782 460 P CB 0.576 32.270 31.700 -0.011 0.000 0.851 461 V N 2.358 122.189 119.914 -0.139 0.000 2.311 461 V HA 0.455 4.574 4.120 -0.001 0.000 0.275 461 V C -2.216 173.695 176.094 -0.306 0.000 1.022 461 V CA -2.249 59.865 62.300 -0.310 0.000 0.830 461 V CB 1.117 32.616 31.823 -0.541 0.000 1.012 461 V HN 0.280 nan 8.190 nan 0.000 0.452 462 P HA 0.436 nan 4.420 nan 0.000 0.220 462 P C -0.737 176.653 177.300 0.151 0.000 1.793 462 P CA 0.045 63.157 63.100 0.021 0.000 0.917 462 P CB -0.773 30.989 31.700 0.104 0.000 1.755 463 F N 0.000 119.959 119.950 0.015 0.000 2.286 463 F HA 0.000 4.526 4.527 -0.001 0.000 0.279 463 F CA 0.000 57.991 58.000 -0.016 0.000 1.383 463 F CB 0.000 38.996 39.000 -0.006 0.000 1.145 463 F HN 0.000 nan 8.300 nan 0.000 0.574