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 3fl7_1_A DATA FIRST_RESID 25 DATA SEQUENCE QGKEVVLLDF AAAGGELGWL THPYGKGWDL MQNIXXXMPI YMYSVcNVMS DATA SEQUENCE GDQDNWLRTN WVYRGEAERI FIELKFTVRD cNSFPXXXXS cKETFNLYYA DATA SEQUENCE ESDLDYGTNF QKRLFTKIDT IAPDEITVSX XXXXXHVKLN VEERSVGPLT DATA SEQUENCE RKGFYLAFQD IGAcVALLSV RVYYKKcPEL LQGLAHFPET IAGSDAPSLA DATA SEQUENCE TVAGTcVDHA VVPPXXEEPR MHcAVDGEWL VPIGQcLcQA GYEKVEDAcQ DATA SEQUENCE AcSPGFFKFE ASESPcLEcP EHTLPSPEGA TScEcEEGFF RAPQDPASMP DATA SEQUENCE cTRPPSAPHY LTAVGMGAKV ELRWTPPQDS GGREDIVYSV TcEQcWPXSG DATA SEQUENCE EcGPcEASVR YSEPPHGLTR TSVTVSDLEP HMNYTFTVEA RNGVSGLVTS DATA SEQUENCE RSFRTASVSI NQTEPPKVRL EGRSTXSLSV SWSIPPPQQS RVWKYEVTYR DATA SEQUENCE KKXXSNSYNV RRTEGFSVTL DDLAPDTTYL VQVQALTQXX XGAGSKVHEF DATA SEQUENCE QTLS 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 25 Q HA 0.000 nan 4.340 nan 0.000 0.214 25 Q C 0.000 175.961 176.000 -0.064 0.000 1.003 25 Q CA 0.000 55.763 55.803 -0.067 0.000 1.022 25 Q CB 0.000 28.689 28.738 -0.081 0.000 1.108 26 G N 0.150 108.896 108.800 -0.090 0.000 2.940 26 G HA2 0.607 4.565 3.960 -0.003 0.000 0.164 26 G HA3 0.607 4.565 3.960 -0.003 0.000 0.164 26 G C -0.354 174.489 174.900 -0.095 0.000 1.326 26 G CA -0.180 44.866 45.100 -0.089 0.000 1.020 26 G HN 0.695 nan 8.290 nan 0.000 0.586 27 K N 0.922 121.265 120.400 -0.096 0.000 2.297 27 K HA 0.233 4.551 4.320 -0.003 0.000 0.286 27 K C -0.533 175.989 176.600 -0.129 0.000 1.053 27 K CA 0.138 56.367 56.287 -0.096 0.000 0.940 27 K CB 0.435 32.892 32.500 -0.072 0.000 1.019 27 K HN 0.401 nan 8.250 nan 0.000 0.475 28 E N 2.713 122.825 120.200 -0.146 0.000 2.175 28 E HA 0.213 4.561 4.350 -0.003 0.000 0.278 28 E C -1.084 175.406 176.600 -0.184 0.000 0.969 28 E CA -0.826 55.481 56.400 -0.156 0.000 0.796 28 E CB 2.095 31.641 29.700 -0.256 0.000 1.104 28 E HN 0.217 nan 8.360 nan 0.000 0.395 29 V N 4.131 123.860 119.914 -0.309 0.000 2.357 29 V HA 0.166 4.284 4.120 -0.003 0.000 0.284 29 V C -0.024 176.005 176.094 -0.108 0.000 1.018 29 V CA -0.763 61.336 62.300 -0.335 0.000 0.841 29 V CB 1.563 32.942 31.823 -0.741 0.000 0.991 29 V HN 0.439 nan 8.190 nan 0.000 0.437 30 V N 6.753 126.688 119.914 0.036 0.000 2.583 30 V HA 0.270 4.388 4.120 -0.003 0.000 0.287 30 V C 0.826 177.036 176.094 0.193 0.000 1.051 30 V CA 0.002 62.399 62.300 0.162 0.000 1.010 30 V CB 1.528 33.426 31.823 0.125 0.000 0.988 30 V HN 0.758 nan 8.190 nan 0.000 0.478 31 L N 4.530 125.905 121.223 0.252 0.000 2.701 31 L HA 0.441 4.779 4.340 -0.003 0.000 0.238 31 L C -0.286 176.698 176.870 0.190 0.000 1.106 31 L CA 0.424 55.402 54.840 0.229 0.000 0.898 31 L CB 0.669 42.893 42.059 0.275 0.000 1.188 31 L HN 0.460 nan 8.230 nan 0.000 0.508 32 L N -0.383 120.978 121.223 0.229 0.000 2.735 32 L HA 0.463 4.801 4.340 -0.003 0.000 0.258 32 L C -2.191 174.852 176.870 0.289 0.000 0.920 32 L CA -0.137 54.859 54.840 0.259 0.000 0.958 32 L CB 1.894 44.126 42.059 0.288 0.000 1.499 32 L HN -0.196 nan 8.230 nan 0.000 0.441 33 D N 3.360 123.927 120.400 0.277 0.000 2.381 33 D HA 0.142 4.780 4.640 -0.003 0.000 0.245 33 D C 0.519 176.954 176.300 0.226 0.000 1.297 33 D CA -0.287 53.861 54.000 0.247 0.000 0.931 33 D CB 0.521 41.416 40.800 0.158 0.000 1.334 33 D HN 0.377 nan 8.370 nan 0.000 0.535 34 F N 3.403 123.454 119.950 0.168 0.000 2.043 34 F HA -0.209 4.317 4.527 -0.002 0.000 0.297 34 F C 1.984 177.774 175.800 -0.017 0.000 1.121 34 F CA 2.445 60.462 58.000 0.028 0.000 1.199 34 F CB -0.318 38.681 39.000 -0.003 0.000 0.968 34 F HN 0.350 nan 8.300 nan 0.000 0.478 35 A N 0.599 123.306 122.820 -0.189 0.000 1.917 35 A HA -0.086 4.232 4.320 -0.003 0.000 0.219 35 A C 2.182 179.644 177.584 -0.203 0.000 1.182 35 A CA 1.801 53.676 52.037 -0.270 0.000 0.633 35 A CB -1.733 17.245 19.000 -0.037 0.000 0.819 35 A HN 0.631 nan 8.150 nan 0.000 0.448 36 A N -1.245 121.522 122.820 -0.088 0.000 2.215 36 A HA 0.451 4.769 4.320 -0.003 0.000 0.208 36 A C 1.501 179.034 177.584 -0.085 0.000 1.296 36 A CA 1.198 53.202 52.037 -0.055 0.000 0.918 36 A CB -0.772 18.230 19.000 0.003 0.000 0.806 36 A HN 1.125 nan 8.150 nan 0.000 0.490 37 A N -1.995 120.714 122.820 -0.184 0.000 2.427 37 A HA 0.483 4.801 4.320 -0.003 0.000 0.225 37 A C 1.512 178.934 177.584 -0.269 0.000 1.257 37 A CA 0.851 52.774 52.037 -0.191 0.000 0.985 37 A CB -0.443 18.446 19.000 -0.184 0.000 1.136 37 A HN 1.786 nan 8.150 nan 0.000 0.538 38 G N -0.384 108.228 108.800 -0.313 0.000 2.371 38 G HA2 0.148 4.106 3.960 -0.003 0.000 0.299 38 G HA3 0.148 4.106 3.960 -0.003 0.000 0.299 38 G C 1.600 176.008 174.900 -0.819 0.000 1.014 38 G CA 1.137 46.057 45.100 -0.299 0.000 1.097 38 G HN 2.093 nan 8.290 nan 0.000 0.512 39 G N -0.703 107.391 108.800 -1.176 0.000 2.347 39 G HA2 -0.347 3.611 3.960 -0.003 0.000 0.247 39 G HA3 -0.347 3.611 3.960 -0.003 0.000 0.247 39 G C 1.046 175.602 174.900 -0.572 0.000 1.037 39 G CA 1.025 45.353 45.100 -1.287 0.000 0.622 39 G HN 0.875 nan 8.290 nan 0.000 0.521 40 E N -0.145 119.816 120.200 -0.397 0.000 2.472 40 E HA 0.088 4.436 4.350 -0.003 0.000 0.200 40 E C 1.037 177.565 176.600 -0.121 0.000 1.046 40 E CA 0.335 56.615 56.400 -0.199 0.000 0.871 40 E CB 0.135 29.755 29.700 -0.133 0.000 0.806 40 E HN 0.514 nan 8.360 nan 0.000 0.533 41 L N 0.962 122.095 121.223 -0.150 0.000 2.305 41 L HA 0.437 4.775 4.340 -0.003 0.000 0.281 41 L C 0.132 176.953 176.870 -0.082 0.000 1.085 41 L CA -0.130 54.668 54.840 -0.070 0.000 0.813 41 L CB 1.518 43.536 42.059 -0.069 0.000 1.157 41 L HN -0.079 nan 8.230 nan 0.000 0.436 42 G N 4.381 113.208 108.800 0.045 0.000 2.702 42 G HA2 0.450 4.408 3.960 -0.003 0.000 0.295 42 G HA3 0.450 4.408 3.960 -0.003 0.000 0.295 42 G C -1.803 173.294 174.900 0.329 0.000 1.446 42 G CA -0.337 44.843 45.100 0.132 0.000 0.983 42 G HN 0.442 nan 8.290 nan 0.000 0.520 43 W N 2.147 123.519 121.300 0.121 0.000 2.570 43 W HA 0.519 5.178 4.660 -0.002 0.000 0.337 43 W C 0.238 176.709 176.519 -0.080 0.000 1.067 43 W CA -1.625 55.702 57.345 -0.031 0.000 1.229 43 W CB 1.626 30.945 29.460 -0.234 0.000 1.355 43 W HN 0.409 nan 8.180 nan 0.000 0.555 44 L N 3.624 124.900 121.223 0.089 0.000 2.416 44 L HA 0.365 4.703 4.340 -0.003 0.000 0.272 44 L C 0.568 177.370 176.870 -0.113 0.000 1.161 44 L CA 0.456 55.284 54.840 -0.020 0.000 0.845 44 L CB 0.546 42.553 42.059 -0.087 0.000 1.119 44 L HN 0.510 nan 8.230 nan 0.000 0.464 45 T N 0.587 115.126 114.554 -0.025 0.000 2.841 45 T HA 0.378 4.726 4.350 -0.003 0.000 0.283 45 T C -0.841 173.915 174.700 0.094 0.000 1.000 45 T CA -0.680 61.428 62.100 0.013 0.000 0.977 45 T CB 1.251 70.181 68.868 0.103 0.000 0.979 45 T HN 0.751 nan 8.240 nan 0.000 0.446 46 H N 3.836 122.963 119.070 0.094 0.000 2.589 46 H HA 0.560 5.114 4.556 -0.003 0.000 0.335 46 H C -2.598 172.876 175.328 0.244 0.000 1.019 46 H CA -1.749 54.404 56.048 0.174 0.000 1.213 46 H CB 1.866 31.774 29.762 0.245 0.000 1.472 46 H HN 0.478 nan 8.280 nan 0.000 0.508 47 P HA 0.035 nan 4.420 nan 0.000 0.274 47 P C 0.669 177.882 177.300 -0.145 0.000 1.256 47 P CA 0.314 63.113 63.100 -0.501 0.000 0.795 47 P CB 0.411 31.928 31.700 -0.305 0.000 1.038 48 Y N 0.126 120.360 120.300 -0.111 0.000 2.181 48 Y HA -0.095 4.453 4.550 -0.003 0.000 0.288 48 Y C 2.550 178.457 175.900 0.011 0.000 1.146 48 Y CA 1.946 60.039 58.100 -0.011 0.000 1.164 48 Y CB -1.681 36.780 38.460 0.001 0.000 0.982 48 Y HN 0.549 nan 8.280 nan 0.000 0.515 49 G N 0.095 108.890 108.800 -0.008 0.000 2.572 49 G HA2 0.245 4.203 3.960 -0.003 0.000 0.214 49 G HA3 0.245 4.203 3.960 -0.003 0.000 0.214 49 G C 1.441 176.351 174.900 0.016 0.000 1.246 49 G CA 1.272 46.376 45.100 0.007 0.000 0.835 49 G HN 0.869 nan 8.290 nan 0.000 0.551 50 K N -0.315 120.086 120.400 0.001 0.000 2.181 50 K HA 0.548 4.866 4.320 -0.003 0.000 0.239 50 K C 1.369 177.984 176.600 0.025 0.000 1.073 50 K CA 0.861 57.149 56.287 0.002 0.000 0.839 50 K CB -1.122 31.372 32.500 -0.011 0.000 1.116 50 K HN 2.045 nan 8.250 nan 0.000 0.518 51 G N -1.336 107.458 108.800 -0.010 0.000 2.512 51 G HA2 -0.197 3.761 3.960 -0.003 0.000 0.254 51 G HA3 -0.197 3.761 3.960 -0.003 0.000 0.254 51 G C -0.045 174.844 174.900 -0.018 0.000 1.199 51 G CA 0.208 45.284 45.100 -0.040 0.000 0.941 51 G HN 1.228 nan 8.290 nan 0.000 0.569 52 W N 1.343 122.647 121.300 0.007 0.000 2.209 52 W HA 0.496 5.153 4.660 -0.004 0.000 0.344 52 W C 0.509 177.082 176.519 0.091 0.000 1.285 52 W CA 1.334 58.694 57.345 0.024 0.000 1.267 52 W CB 0.375 29.811 29.460 -0.039 0.000 1.167 52 W HN 0.748 nan 8.180 nan 0.000 0.574 53 D N 1.166 121.805 120.400 0.399 0.000 2.859 53 D HA 0.249 4.887 4.640 -0.003 0.000 0.223 53 D C -1.809 174.692 176.300 0.334 0.000 1.218 53 D CA -0.850 53.341 54.000 0.319 0.000 0.850 53 D CB 1.304 42.199 40.800 0.158 0.000 1.656 53 D HN 0.162 nan 8.370 nan 0.000 0.484 54 L N 3.057 124.411 121.223 0.218 0.000 2.410 54 L HA 0.450 4.788 4.340 -0.003 0.000 0.273 54 L C -0.727 176.120 176.870 -0.039 0.000 1.152 54 L CA 0.688 55.415 54.840 -0.189 0.000 0.855 54 L CB 0.172 42.084 42.059 -0.245 0.000 1.129 54 L HN 0.479 nan 8.230 nan 0.000 0.463 55 M N 5.069 124.640 119.600 -0.047 0.000 2.393 55 M HA 0.363 4.841 4.480 -0.003 0.000 0.316 55 M C -0.794 175.515 176.300 0.015 0.000 1.087 55 M CA -0.483 54.820 55.300 0.005 0.000 0.937 55 M CB 2.022 34.628 32.600 0.010 0.000 1.668 55 M HN 0.579 nan 8.290 nan 0.000 0.438 56 Q N 2.859 122.650 119.800 -0.015 0.000 2.293 56 Q HA 0.326 4.664 4.340 -0.003 0.000 0.261 56 Q C -1.405 174.491 176.000 -0.174 0.000 0.960 56 Q CA -0.502 55.196 55.803 -0.174 0.000 0.882 56 Q CB 1.534 30.169 28.738 -0.172 0.000 1.275 56 Q HN 0.614 nan 8.270 nan 0.000 0.445 57 N N 3.055 121.618 118.700 -0.228 0.000 2.399 57 N HA 0.598 5.336 4.740 -0.003 0.000 0.295 57 N C -0.775 174.621 175.510 -0.190 0.000 1.048 57 N CA 0.209 53.163 53.050 -0.160 0.000 0.886 57 N CB 1.415 39.835 38.487 -0.112 0.000 1.185 57 N HN 0.640 nan 8.380 nan 0.000 0.487 63 P HA 0.605 nan 4.420 nan 0.000 0.271 63 P C -0.940 176.146 177.300 -0.357 0.000 1.233 63 P CA -0.056 62.853 63.100 -0.318 0.000 0.764 63 P CB 0.698 32.209 31.700 -0.314 0.000 0.825 64 I N 4.580 124.915 120.570 -0.392 0.000 2.433 64 I HA 0.320 4.488 4.170 -0.003 0.000 0.292 64 I C 0.332 176.185 176.117 -0.440 0.000 1.001 64 I CA -1.214 59.892 61.300 -0.322 0.000 1.119 64 I CB 0.745 38.658 38.000 -0.143 0.000 1.289 64 I HN 0.313 nan 8.210 nan 0.000 0.438 65 Y N 6.244 126.473 120.300 -0.118 0.000 2.488 65 Y HA 0.779 5.327 4.550 -0.004 0.000 0.325 65 Y C 0.631 176.525 175.900 -0.010 0.000 1.204 65 Y CA -0.695 57.332 58.100 -0.122 0.000 1.229 65 Y CB 1.616 39.925 38.460 -0.252 0.000 1.274 65 Y HN 0.558 nan 8.280 nan 0.000 0.493 66 M N -0.187 119.541 119.600 0.213 0.000 2.822 66 M HA 0.413 4.891 4.480 -0.003 0.000 0.275 66 M C -2.583 173.689 176.300 -0.047 0.000 1.084 66 M CA -0.945 54.480 55.300 0.209 0.000 0.814 66 M CB 1.708 34.396 32.600 0.146 0.000 1.693 66 M HN 0.426 nan 8.290 nan 0.000 0.531 67 Y N 0.977 121.326 120.300 0.083 0.000 2.342 67 Y HA 0.691 5.239 4.550 -0.002 0.000 0.338 67 Y C -0.446 175.576 175.900 0.205 0.000 0.965 67 Y CA -0.154 57.996 58.100 0.084 0.000 1.159 67 Y CB 2.110 40.514 38.460 -0.092 0.000 1.157 67 Y HN 0.715 nan 8.280 nan 0.000 0.486 68 S N 2.702 118.594 115.700 0.321 0.000 2.503 68 S HA 0.716 5.184 4.470 -0.003 0.000 0.301 68 S C -1.078 173.523 174.600 0.003 0.000 1.087 68 S CA -0.815 57.468 58.200 0.137 0.000 1.042 68 S CB 2.074 65.314 63.200 0.065 0.000 1.043 68 S HN 0.411 nan 8.310 nan 0.000 0.489 69 V N 1.819 121.556 119.914 -0.296 0.000 2.841 69 V HA 0.709 4.827 4.120 -0.003 0.000 0.310 69 V C -1.160 174.748 176.094 -0.311 0.000 1.090 69 V CA -0.421 61.612 62.300 -0.446 0.000 0.930 69 V CB 1.795 33.007 31.823 -1.019 0.000 1.014 69 V HN 1.060 nan 8.190 nan 0.000 0.425 70 c N 6.190 124.655 118.600 -0.225 0.000 3.235 70 c HA 0.474 5.042 4.570 -0.003 0.000 0.198 70 c C -0.271 173.712 174.090 -0.179 0.000 1.527 70 c CA -0.631 55.596 56.329 -0.171 0.000 1.167 70 c CB -1.092 41.340 42.510 -0.130 0.000 1.938 70 c HN 0.863 nan 8.230 nan 0.000 0.593 71 N N 1.380 119.977 118.700 -0.171 0.000 3.271 71 N HA 0.117 4.855 4.740 -0.003 0.000 0.303 71 N C 1.294 176.741 175.510 -0.106 0.000 1.415 71 N CA 0.068 53.036 53.050 -0.136 0.000 1.159 71 N CB 1.066 39.483 38.487 -0.117 0.000 1.432 71 N HN 0.634 nan 8.380 nan 0.000 0.521 72 V N -2.333 117.515 119.914 -0.111 0.000 3.041 72 V HA -0.036 4.082 4.120 -0.003 0.000 0.260 72 V C 1.907 177.983 176.094 -0.030 0.000 1.105 72 V CA 0.798 63.075 62.300 -0.039 0.000 1.125 72 V CB -0.375 31.470 31.823 0.037 0.000 0.730 72 V HN 0.171 nan 8.190 nan 0.000 0.479 73 M N 2.257 121.816 119.600 -0.068 0.000 2.115 73 M HA 0.155 4.633 4.480 -0.003 0.000 0.261 73 M C 1.510 177.795 176.300 -0.026 0.000 1.079 73 M CA 1.423 56.696 55.300 -0.045 0.000 1.143 73 M CB -0.258 32.302 32.600 -0.067 0.000 1.332 73 M HN 0.643 nan 8.290 nan 0.000 0.421 74 S N 0.181 115.861 115.700 -0.034 0.000 2.593 74 S HA 0.102 4.570 4.470 -0.003 0.000 0.300 74 S C 1.272 175.867 174.600 -0.009 0.000 1.267 74 S CA -0.123 58.064 58.200 -0.021 0.000 1.065 74 S CB 0.164 63.348 63.200 -0.026 0.000 0.807 74 S HN 0.549 nan 8.310 nan 0.000 0.499 75 G N 1.147 109.946 108.800 -0.000 0.000 2.448 75 G HA2 -0.027 3.931 3.960 -0.003 0.000 0.219 75 G HA3 -0.027 3.931 3.960 -0.003 0.000 0.219 75 G C 0.251 175.159 174.900 0.014 0.000 1.127 75 G CA 0.648 45.753 45.100 0.008 0.000 0.766 75 G HN 0.814 nan 8.290 nan 0.000 0.552 76 D N -0.262 120.147 120.400 0.015 0.000 2.386 76 D HA 0.252 4.890 4.640 -0.003 0.000 0.247 76 D C -0.790 175.528 176.300 0.030 0.000 1.336 76 D CA -0.250 53.765 54.000 0.025 0.000 0.976 76 D CB 0.875 41.693 40.800 0.030 0.000 1.257 76 D HN 0.130 nan 8.370 nan 0.000 0.570 77 Q N 1.543 121.361 119.800 0.029 0.000 2.306 77 Q HA 0.460 4.798 4.340 -0.003 0.000 0.265 77 Q C -1.053 174.984 176.000 0.061 0.000 1.022 77 Q CA -0.809 55.011 55.803 0.029 0.000 0.853 77 Q CB 2.675 31.405 28.738 -0.013 0.000 1.327 77 Q HN 0.311 nan 8.270 nan 0.000 0.449 78 D N 1.500 121.964 120.400 0.106 0.000 2.823 78 D HA 0.120 4.758 4.640 -0.003 0.000 0.255 78 D C -1.238 175.234 176.300 0.286 0.000 1.257 78 D CA -0.237 53.875 54.000 0.187 0.000 0.803 78 D CB 0.231 41.196 40.800 0.275 0.000 1.384 78 D HN 0.292 nan 8.370 nan 0.000 0.541 79 N N 1.880 120.663 118.700 0.139 0.000 2.426 79 N HA 0.325 5.063 4.740 -0.003 0.000 0.275 79 N C -0.946 174.785 175.510 0.367 0.000 1.019 79 N CA -0.110 53.103 53.050 0.272 0.000 0.941 79 N CB 0.857 39.374 38.487 0.050 0.000 1.123 79 N HN 0.276 nan 8.380 nan 0.000 0.486 80 W N 1.749 123.261 121.300 0.354 0.000 2.666 80 W HA 0.491 5.149 4.660 -0.004 0.000 0.334 80 W C -0.318 176.088 176.519 -0.189 0.000 1.051 80 W CA -0.772 56.636 57.345 0.104 0.000 1.224 80 W CB 1.018 30.501 29.460 0.038 0.000 1.405 80 W HN 0.206 nan 8.180 nan 0.000 0.513 81 L N 4.337 125.352 121.223 -0.347 0.000 2.372 81 L HA 0.576 4.914 4.340 -0.003 0.000 0.274 81 L C -0.731 175.862 176.870 -0.462 0.000 0.988 81 L CA -1.244 53.238 54.840 -0.598 0.000 0.833 81 L CB 1.159 42.430 42.059 -1.313 0.000 1.236 81 L HN 0.481 nan 8.230 nan 0.000 0.410 82 R N 3.031 123.204 120.500 -0.546 0.000 2.437 82 R HA 0.549 4.887 4.340 -0.003 0.000 0.310 82 R C -0.364 175.603 176.300 -0.555 0.000 0.955 82 R CA -0.085 55.682 56.100 -0.554 0.000 0.851 82 R CB 1.347 31.131 30.300 -0.860 0.000 1.161 82 R HN 0.883 nan 8.270 nan 0.000 0.446 83 T N 0.928 115.065 114.554 -0.695 0.000 2.766 83 T HA 0.117 4.465 4.350 -0.003 0.000 0.295 83 T C 0.468 174.944 174.700 -0.373 0.000 1.024 83 T CA -0.373 60.948 62.100 -1.299 0.000 1.018 83 T CB 0.470 68.742 68.868 -0.994 0.000 1.002 83 T HN 0.661 nan 8.240 nan 0.000 0.532 84 N N -0.220 118.372 118.700 -0.181 0.000 2.381 84 N HA 0.128 4.866 4.740 -0.003 0.000 0.241 84 N C -0.687 174.882 175.510 0.098 0.000 1.279 84 N CA -0.535 52.630 53.050 0.190 0.000 0.896 84 N CB 0.251 38.918 38.487 0.300 0.000 1.118 84 N HN 0.729 nan 8.380 nan 0.000 0.438 85 W N 1.941 123.148 121.300 -0.155 0.000 2.347 85 W HA 0.185 4.843 4.660 -0.004 0.000 0.333 85 W C -1.047 175.216 176.519 -0.427 0.000 1.383 85 W CA -0.274 56.688 57.345 -0.638 0.000 1.283 85 W CB 0.245 29.411 29.460 -0.490 0.000 1.253 85 W HN 0.042 nan 8.180 nan 0.000 0.563 86 V N 9.076 128.310 119.914 -1.133 0.000 2.384 86 V HA 0.076 4.194 4.120 -0.003 0.000 0.287 86 V C -0.415 174.846 176.094 -1.389 0.000 1.020 86 V CA -1.169 60.502 62.300 -1.049 0.000 0.850 86 V CB 0.544 31.682 31.823 -1.143 0.000 0.987 86 V HN 0.349 nan 8.190 nan 0.000 0.436 87 Y N 4.883 124.588 120.300 -0.993 0.000 2.526 87 Y HA 0.174 4.722 4.550 -0.004 0.000 0.330 87 Y C 1.386 177.033 175.900 -0.422 0.000 1.156 87 Y CA 0.187 57.816 58.100 -0.786 0.000 1.419 87 Y CB 0.565 38.854 38.460 -0.284 0.000 1.250 87 Y HN 0.680 nan 8.280 nan 0.000 0.540 88 R N 3.936 123.880 120.500 -0.927 0.000 2.140 88 R HA 0.185 4.523 4.340 -0.003 0.000 0.213 88 R C 1.408 177.301 176.300 -0.679 0.000 1.059 88 R CA 0.982 56.761 56.100 -0.536 0.000 1.000 88 R CB -0.438 29.673 30.300 -0.315 0.000 0.910 88 R HN 1.133 nan 8.270 nan 0.000 0.455 89 G N 1.401 109.496 108.800 -1.175 0.000 2.591 89 G HA2 -0.434 3.524 3.960 -0.003 0.000 0.298 89 G HA3 -0.434 3.524 3.960 -0.003 0.000 0.298 89 G C 0.334 175.012 174.900 -0.370 0.000 1.195 89 G CA 0.623 45.335 45.100 -0.647 0.000 0.989 89 G HN 0.599 nan 8.290 nan 0.000 0.551 90 E N 1.006 121.027 120.200 -0.299 0.000 2.481 90 E HA 0.581 4.929 4.350 -0.003 0.000 0.198 90 E C 1.147 177.502 176.600 -0.409 0.000 1.027 90 E CA 0.417 56.671 56.400 -0.244 0.000 0.900 90 E CB 0.329 29.977 29.700 -0.087 0.000 0.993 90 E HN 1.118 nan 8.360 nan 0.000 0.482 91 A N 1.522 123.910 122.820 -0.720 0.000 2.477 91 A HA 0.054 4.372 4.320 -0.003 0.000 0.246 91 A C 0.531 177.866 177.584 -0.415 0.000 1.078 91 A CA -0.058 51.474 52.037 -0.841 0.000 0.770 91 A CB 0.522 18.908 19.000 -1.022 0.000 1.011 91 A HN 0.292 nan 8.150 nan 0.000 0.494 92 E N 0.619 120.643 120.200 -0.294 0.000 2.192 92 E HA 0.095 4.443 4.350 -0.003 0.000 0.196 92 E C 0.828 177.279 176.600 -0.250 0.000 0.922 92 E CA 0.067 56.336 56.400 -0.218 0.000 0.924 92 E CB 0.269 29.884 29.700 -0.141 0.000 0.911 92 E HN 0.700 nan 8.360 nan 0.000 0.478 93 R N 1.835 122.198 120.500 -0.229 0.000 2.338 93 R HA 0.371 4.709 4.340 -0.003 0.000 0.317 93 R C -0.719 175.352 176.300 -0.381 0.000 0.968 93 R CA -0.363 55.524 56.100 -0.354 0.000 0.849 93 R CB 0.620 30.703 30.300 -0.360 0.000 1.128 93 R HN 0.071 nan 8.270 nan 0.000 0.448 94 I N 0.399 120.647 120.570 -0.538 0.000 2.577 94 I HA 0.528 4.696 4.170 -0.003 0.000 0.305 94 I C -1.147 174.552 176.117 -0.697 0.000 0.986 94 I CA -0.851 60.178 61.300 -0.452 0.000 1.189 94 I CB 1.293 39.006 38.000 -0.479 0.000 1.355 94 I HN 0.387 nan 8.210 nan 0.000 0.476 95 F N 4.479 124.138 119.950 -0.485 0.000 2.482 95 F HA 0.628 5.153 4.527 -0.003 0.000 0.331 95 F C -0.221 175.354 175.800 -0.376 0.000 1.115 95 F CA -0.574 57.114 58.000 -0.520 0.000 0.955 95 F CB 1.823 40.302 39.000 -0.868 0.000 1.136 95 F HN 0.266 nan 8.300 nan 0.000 0.452 96 I N 2.670 123.228 120.570 -0.020 0.000 2.382 96 I HA 0.264 4.432 4.170 -0.003 0.000 0.285 96 I C -0.559 175.681 176.117 0.205 0.000 1.007 96 I CA -0.380 60.975 61.300 0.092 0.000 1.142 96 I CB 1.558 39.581 38.000 0.039 0.000 1.289 96 I HN 0.583 nan 8.210 nan 0.000 0.453 97 E N 7.777 128.154 120.200 0.295 0.000 2.145 97 E HA 0.578 4.926 4.350 -0.003 0.000 0.270 97 E C -1.513 175.291 176.600 0.340 0.000 0.906 97 E CA -0.607 55.984 56.400 0.319 0.000 0.761 97 E CB 1.337 31.249 29.700 0.352 0.000 1.116 97 E HN 0.532 nan 8.360 nan 0.000 0.408 98 L N 3.689 125.131 121.223 0.366 0.000 2.346 98 L HA 0.572 4.910 4.340 -0.003 0.000 0.274 98 L C -0.267 176.881 176.870 0.463 0.000 1.007 98 L CA -0.929 54.180 54.840 0.448 0.000 0.818 98 L CB 1.843 44.233 42.059 0.552 0.000 1.284 98 L HN 0.324 nan 8.230 nan 0.000 0.424 99 K N 3.317 123.978 120.400 0.435 0.000 2.397 99 K HA 0.738 5.055 4.320 -0.003 0.000 0.253 99 K C -1.355 175.498 176.600 0.422 0.000 0.932 99 K CA -0.511 55.971 56.287 0.325 0.000 0.795 99 K CB 2.337 34.956 32.500 0.198 0.000 1.159 99 K HN 0.472 nan 8.250 nan 0.000 0.424 100 F N -1.732 118.333 119.950 0.192 0.000 2.713 100 F HA 0.509 5.034 4.527 -0.004 0.000 0.311 100 F C -0.792 175.107 175.800 0.165 0.000 1.141 100 F CA -1.071 57.042 58.000 0.188 0.000 0.939 100 F CB 1.318 40.477 39.000 0.266 0.000 1.325 100 F HN 0.375 nan 8.300 nan 0.000 0.453 101 T N -0.062 114.671 114.554 0.298 0.000 2.888 101 T HA 0.824 5.171 4.350 -0.003 0.000 0.284 101 T C -1.343 173.564 174.700 0.346 0.000 1.017 101 T CA -0.754 61.471 62.100 0.208 0.000 1.022 101 T CB 1.642 70.590 68.868 0.134 0.000 1.013 101 T HN 0.775 nan 8.240 nan 0.000 0.465 102 V N 1.463 121.550 119.914 0.289 0.000 2.588 102 V HA 0.850 4.968 4.120 -0.003 0.000 0.304 102 V C 0.694 176.877 176.094 0.149 0.000 1.042 102 V CA -1.102 61.355 62.300 0.261 0.000 0.877 102 V CB 1.398 33.418 31.823 0.328 0.000 0.996 102 V HN 1.333 nan 8.190 nan 0.000 0.425 103 R N 1.586 122.164 120.500 0.130 0.000 2.459 103 R HA 0.456 4.794 4.340 -0.003 0.000 0.281 103 R C -0.104 176.163 176.300 -0.056 0.000 1.050 103 R CA -0.637 55.489 56.100 0.042 0.000 1.055 103 R CB 0.351 30.721 30.300 0.117 0.000 1.045 103 R HN 0.841 nan 8.270 nan 0.000 0.495 104 D N 0.805 121.105 120.400 -0.167 0.000 2.450 104 D HA 0.025 4.663 4.640 -0.003 0.000 0.247 104 D C 0.720 176.820 176.300 -0.333 0.000 1.162 104 D CA -0.251 53.635 54.000 -0.189 0.000 0.879 104 D CB 0.784 41.478 40.800 -0.176 0.000 1.163 104 D HN 0.510 nan 8.370 nan 0.000 0.472 105 c N 3.295 121.798 118.600 -0.162 0.000 2.419 105 c HA -0.107 4.461 4.570 -0.003 0.000 0.283 105 c C 1.981 175.987 174.090 -0.141 0.000 1.373 105 c CA 0.458 56.722 56.329 -0.108 0.000 1.781 105 c CB -1.209 41.306 42.510 0.007 0.000 1.886 105 c HN 0.668 nan 8.230 nan 0.000 0.520 106 N N 0.245 118.853 118.700 -0.154 0.000 2.398 106 N HA -0.047 4.691 4.740 -0.003 0.000 0.188 106 N C 1.693 177.097 175.510 -0.177 0.000 1.122 106 N CA 0.659 53.639 53.050 -0.117 0.000 0.866 106 N CB 0.125 38.569 38.487 -0.071 0.000 0.970 106 N HN 0.610 nan 8.380 nan 0.000 0.462 107 S N -0.299 115.182 115.700 -0.365 0.000 2.478 107 S HA 0.066 4.534 4.470 -0.003 0.000 0.222 107 S C 0.239 174.641 174.600 -0.329 0.000 1.008 107 S CA -0.071 57.907 58.200 -0.370 0.000 0.928 107 S CB -0.272 62.677 63.200 -0.418 0.000 0.781 107 S HN 0.156 nan 8.310 nan 0.000 0.518 108 F N 2.972 122.927 119.950 0.008 0.000 2.450 108 F HA 0.805 5.330 4.527 -0.004 0.000 0.332 108 F C -1.979 173.823 175.800 0.004 0.000 1.093 108 F CA -2.999 55.003 58.000 0.004 0.000 1.003 108 F CB -0.304 38.697 39.000 0.002 0.000 1.151 108 F HN -0.105 nan 8.300 nan 0.000 0.474 115 c N 3.068 121.699 118.600 0.052 0.000 2.563 115 c HA 0.875 5.443 4.570 -0.003 0.000 0.314 115 c C -0.883 173.243 174.090 0.060 0.000 1.199 115 c CA -0.054 56.317 56.329 0.071 0.000 1.564 115 c CB 1.212 43.787 42.510 0.108 0.000 2.173 115 c HN 0.935 nan 8.230 nan 0.000 0.485 116 K N 3.077 123.516 120.400 0.065 0.000 2.480 116 K HA 0.411 4.729 4.320 -0.003 0.000 0.258 116 K C -0.543 176.105 176.600 0.081 0.000 0.990 116 K CA -0.486 55.839 56.287 0.062 0.000 0.857 116 K CB 2.082 34.615 32.500 0.055 0.000 1.384 116 K HN 0.661 nan 8.250 nan 0.000 0.446 117 E N 0.636 120.886 120.200 0.083 0.000 2.693 117 E HA 0.043 4.391 4.350 -0.003 0.000 0.214 117 E C -0.450 176.235 176.600 0.141 0.000 0.990 117 E CA -0.054 56.411 56.400 0.109 0.000 1.047 117 E CB 1.276 31.026 29.700 0.082 0.000 1.039 117 E HN 0.650 nan 8.360 nan 0.000 0.475 118 T N -1.832 112.797 114.554 0.125 0.000 2.907 118 T HA 0.686 5.034 4.350 -0.003 0.000 0.290 118 T C -0.452 174.364 174.700 0.193 0.000 1.066 118 T CA -0.939 61.220 62.100 0.098 0.000 1.012 118 T CB 1.365 70.236 68.868 0.005 0.000 1.184 118 T HN 0.086 nan 8.240 nan 0.000 0.522 119 F N -0.799 119.152 119.950 0.001 0.000 2.691 119 F HA 0.811 5.336 4.527 -0.003 0.000 0.334 119 F C -0.864 174.951 175.800 0.026 0.000 1.107 119 F CA -1.379 56.643 58.000 0.035 0.000 0.991 119 F CB 1.175 40.248 39.000 0.121 0.000 1.400 119 F HN 0.463 nan 8.300 nan 0.000 0.503 120 N N 1.003 119.845 118.700 0.237 0.000 2.269 120 N HA 0.546 5.284 4.740 -0.003 0.000 0.304 120 N C -2.008 173.596 175.510 0.157 0.000 1.072 120 N CA -0.467 52.633 53.050 0.083 0.000 0.802 120 N CB 2.576 41.166 38.487 0.172 0.000 1.348 120 N HN 0.762 nan 8.380 nan 0.000 0.484 121 L N 2.360 123.550 121.223 -0.054 0.000 2.325 121 L HA 0.558 4.896 4.340 -0.003 0.000 0.281 121 L C -1.648 175.166 176.870 -0.094 0.000 1.004 121 L CA -0.348 54.430 54.840 -0.102 0.000 0.823 121 L CB 0.546 42.522 42.059 -0.138 0.000 1.236 121 L HN 0.393 nan 8.230 nan 0.000 0.415 122 Y N 4.094 124.360 120.300 -0.056 0.000 2.659 122 Y HA 0.713 5.261 4.550 -0.004 0.000 0.333 122 Y C -0.734 175.362 175.900 0.326 0.000 1.064 122 Y CA -0.669 57.551 58.100 0.200 0.000 1.141 122 Y CB 1.793 40.491 38.460 0.397 0.000 1.316 122 Y HN 0.616 nan 8.280 nan 0.000 0.509 123 Y N -1.011 119.515 120.300 0.376 0.000 2.597 123 Y HA 0.935 5.483 4.550 -0.003 0.000 0.340 123 Y C -1.762 174.106 175.900 -0.054 0.000 1.097 123 Y CA -1.763 56.471 58.100 0.222 0.000 1.037 123 Y CB 1.379 39.857 38.460 0.030 0.000 1.305 123 Y HN 0.733 nan 8.280 nan 0.000 0.463 124 A N 2.361 124.937 122.820 -0.408 0.000 2.427 124 A HA 0.587 4.905 4.320 -0.003 0.000 0.298 124 A C -1.291 176.259 177.584 -0.057 0.000 1.036 124 A CA -0.888 50.765 52.037 -0.639 0.000 0.701 124 A CB 1.353 19.535 19.000 -1.364 0.000 1.250 124 A HN 0.821 nan 8.150 nan 0.000 0.412 125 E N 0.524 120.710 120.200 -0.023 0.000 2.314 125 E HA 0.654 5.002 4.350 -0.003 0.000 0.262 125 E C -0.274 176.430 176.600 0.172 0.000 1.093 125 E CA -0.384 56.098 56.400 0.138 0.000 0.908 125 E CB 1.542 31.308 29.700 0.111 0.000 1.091 125 E HN 0.695 nan 8.360 nan 0.000 0.425 126 S N 0.261 116.103 115.700 0.236 0.000 2.678 126 S HA 0.075 4.543 4.470 -0.003 0.000 0.290 126 S C -1.313 173.481 174.600 0.324 0.000 1.047 126 S CA -0.611 57.772 58.200 0.305 0.000 0.851 126 S CB 0.852 64.353 63.200 0.502 0.000 1.058 126 S HN 0.481 nan 8.310 nan 0.000 0.451 127 D N 0.863 121.376 120.400 0.188 0.000 2.366 127 D HA 0.252 4.890 4.640 -0.003 0.000 0.205 127 D C 0.254 176.522 176.300 -0.052 0.000 1.022 127 D CA 0.488 54.585 54.000 0.161 0.000 0.868 127 D CB 0.732 41.584 40.800 0.086 0.000 0.953 127 D HN 0.278 nan 8.370 nan 0.000 0.514 128 L N 0.683 121.727 121.223 -0.300 0.000 2.342 128 L HA 0.482 4.820 4.340 -0.003 0.000 0.271 128 L C -1.260 174.972 176.870 -1.063 0.000 1.008 128 L CA -0.900 53.535 54.840 -0.676 0.000 0.818 128 L CB 1.731 43.446 42.059 -0.573 0.000 1.296 128 L HN -0.024 nan 8.230 nan 0.000 0.427 129 D N 1.373 121.088 120.400 -1.142 0.000 2.347 129 D HA 0.218 4.856 4.640 -0.003 0.000 0.235 129 D C 0.099 176.197 176.300 -0.337 0.000 1.149 129 D CA 0.272 53.782 54.000 -0.817 0.000 0.850 129 D CB 0.748 41.065 40.800 -0.806 0.000 1.061 129 D HN 0.565 nan 8.370 nan 0.000 0.487 130 Y N 3.281 123.655 120.300 0.123 0.000 2.466 130 Y HA 0.248 4.795 4.550 -0.004 0.000 0.272 130 Y C 2.014 177.954 175.900 0.068 0.000 1.169 130 Y CA 0.167 58.309 58.100 0.070 0.000 1.285 130 Y CB 0.246 38.751 38.460 0.076 0.000 1.078 130 Y HN 0.716 nan 8.280 nan 0.000 0.523 131 G N 0.987 109.927 108.800 0.234 0.000 2.582 131 G HA2 -0.459 3.499 3.960 -0.003 0.000 0.288 131 G HA3 -0.459 3.499 3.960 -0.003 0.000 0.288 131 G C 1.243 176.246 174.900 0.171 0.000 1.247 131 G CA 0.931 46.136 45.100 0.174 0.000 0.972 131 G HN 0.423 nan 8.290 nan 0.000 0.557 132 T N -1.096 113.534 114.554 0.126 0.000 3.051 132 T HA -0.044 4.304 4.350 -0.003 0.000 0.269 132 T C 1.155 175.924 174.700 0.116 0.000 1.127 132 T CA 1.456 63.623 62.100 0.112 0.000 1.107 132 T CB -0.239 68.683 68.868 0.090 0.000 0.898 132 T HN 1.090 nan 8.240 nan 0.000 0.517 133 N N 1.470 120.236 118.700 0.109 0.000 2.402 133 N HA 0.181 4.919 4.740 -0.003 0.000 0.259 133 N C -1.280 174.252 175.510 0.038 0.000 1.167 133 N CA -0.915 52.166 53.050 0.052 0.000 0.949 133 N CB -0.566 37.942 38.487 0.035 0.000 1.212 133 N HN 0.423 nan 8.380 nan 0.000 0.493 134 F N 3.153 123.001 119.950 -0.170 0.000 2.493 134 F HA 0.463 4.989 4.527 -0.003 0.000 0.329 134 F C -1.128 174.460 175.800 -0.353 0.000 1.126 134 F CA -0.693 57.147 58.000 -0.267 0.000 0.937 134 F CB 1.549 40.390 39.000 -0.266 0.000 1.146 134 F HN 0.330 nan 8.300 nan 0.000 0.442 135 Q N 6.900 126.079 119.800 -1.034 0.000 2.558 135 Q HA 0.130 4.468 4.340 -0.003 0.000 0.252 135 Q C 0.807 176.131 176.000 -1.127 0.000 1.015 135 Q CA -0.441 54.765 55.803 -0.995 0.000 0.720 135 Q CB 1.708 30.111 28.738 -0.558 0.000 1.215 135 Q HN 0.980 nan 8.270 nan 0.000 0.500 136 K N 1.952 121.347 120.400 -1.675 0.000 2.189 136 K HA -0.284 4.034 4.320 -0.003 0.000 0.207 136 K C 1.430 177.640 176.600 -0.649 0.000 1.046 136 K CA 2.181 57.583 56.287 -1.475 0.000 0.928 136 K CB -0.150 31.173 32.500 -1.961 0.000 0.720 136 K HN 0.386 nan 8.250 nan 0.000 0.458 137 R N 1.337 121.546 120.500 -0.487 0.000 2.241 137 R HA -0.060 4.278 4.340 -0.003 0.000 0.224 137 R C 1.633 177.842 176.300 -0.151 0.000 1.101 137 R CA 1.420 57.368 56.100 -0.253 0.000 0.995 137 R CB -0.617 29.546 30.300 -0.228 0.000 0.870 137 R HN 0.324 nan 8.270 nan 0.000 0.463 138 L N -0.323 120.816 121.223 -0.141 0.000 2.591 138 L HA 0.310 4.648 4.340 -0.003 0.000 0.228 138 L C -0.050 176.731 176.870 -0.148 0.000 1.133 138 L CA -0.259 54.500 54.840 -0.136 0.000 0.880 138 L CB -0.172 41.767 42.059 -0.201 0.000 1.033 138 L HN 0.002 nan 8.230 nan 0.000 0.450 139 F N 0.417 120.271 119.950 -0.160 0.000 2.404 139 F HA 0.286 4.811 4.527 -0.003 0.000 0.354 139 F C 0.766 176.655 175.800 0.147 0.000 1.122 139 F CA -0.560 57.430 58.000 -0.018 0.000 1.080 139 F CB 1.590 40.614 39.000 0.040 0.000 1.131 139 F HN -0.229 nan 8.300 nan 0.000 0.471 140 T N 3.624 118.199 114.554 0.036 0.000 2.817 140 T HA 0.137 4.485 4.350 -0.003 0.000 0.293 140 T C -0.146 174.603 174.700 0.082 0.000 0.964 140 T CA -0.743 61.351 62.100 -0.010 0.000 1.085 140 T CB 0.876 69.546 68.868 -0.330 0.000 0.921 140 T HN 0.418 nan 8.240 nan 0.000 0.502 141 K N 3.427 123.759 120.400 -0.112 0.000 2.349 141 K HA 0.237 4.555 4.320 -0.003 0.000 0.288 141 K C 0.701 177.152 176.600 -0.247 0.000 1.058 141 K CA -0.215 55.697 56.287 -0.625 0.000 0.953 141 K CB 0.153 32.234 32.500 -0.699 0.000 0.997 141 K HN 0.521 nan 8.250 nan 0.000 0.477 142 I N 2.020 122.475 120.570 -0.191 0.000 2.235 142 I HA -0.031 4.137 4.170 -0.003 0.000 0.241 142 I C 0.641 176.665 176.117 -0.154 0.000 1.085 142 I CA 0.876 62.115 61.300 -0.102 0.000 1.378 142 I CB 0.119 38.068 38.000 -0.085 0.000 1.076 142 I HN 0.694 nan 8.210 nan 0.000 0.415 143 D N -1.295 118.983 120.400 -0.203 0.000 2.728 143 D HA 0.147 4.785 4.640 -0.003 0.000 0.249 143 D C -1.220 174.960 176.300 -0.199 0.000 1.225 143 D CA -0.340 53.557 54.000 -0.172 0.000 0.748 143 D CB 1.825 42.546 40.800 -0.130 0.000 1.326 143 D HN -0.210 nan 8.370 nan 0.000 0.426 144 T N 1.946 116.402 114.554 -0.164 0.000 2.794 144 T HA 0.364 4.712 4.350 -0.003 0.000 0.296 144 T C 0.413 174.973 174.700 -0.234 0.000 0.949 144 T CA -0.418 61.576 62.100 -0.177 0.000 1.101 144 T CB 0.295 69.098 68.868 -0.109 0.000 0.905 144 T HN 0.142 nan 8.240 nan 0.000 0.516 145 I N 3.192 123.501 120.570 -0.434 0.000 2.321 145 I HA 0.558 4.726 4.170 -0.003 0.000 0.291 145 I C 0.461 176.340 176.117 -0.396 0.000 0.998 145 I CA -0.953 60.023 61.300 -0.541 0.000 1.227 145 I CB 0.299 37.596 38.000 -1.172 0.000 1.368 145 I HN 0.643 nan 8.210 nan 0.000 0.466 146 A N 9.409 132.177 122.820 -0.086 0.000 2.356 146 A HA 0.952 5.270 4.320 -0.003 0.000 0.323 146 A C -2.619 175.126 177.584 0.268 0.000 1.119 146 A CA -1.367 50.711 52.037 0.069 0.000 0.790 146 A CB 1.517 20.542 19.000 0.041 0.000 1.273 146 A HN 0.495 nan 8.150 nan 0.000 0.452 147 P HA 0.358 nan 4.420 nan 0.000 0.284 147 P C -0.680 176.683 177.300 0.105 0.000 1.258 147 P CA -0.233 63.024 63.100 0.262 0.000 0.824 147 P CB 1.314 33.179 31.700 0.274 0.000 1.038 148 D N 0.164 120.586 120.400 0.036 0.000 2.183 148 D HA 0.012 4.650 4.640 -0.003 0.000 0.205 148 D C 0.187 176.487 176.300 -0.001 0.000 0.962 148 D CA 1.307 55.315 54.000 0.014 0.000 0.849 148 D CB 0.369 41.167 40.800 -0.003 0.000 0.978 148 D HN 0.517 nan 8.370 nan 0.000 0.488 149 E N -0.087 120.103 120.200 -0.017 0.000 2.238 149 E HA 0.575 4.923 4.350 -0.003 0.000 0.267 149 E C -0.678 175.921 176.600 -0.001 0.000 0.887 149 E CA -0.519 55.868 56.400 -0.021 0.000 0.769 149 E CB 2.811 32.486 29.700 -0.041 0.000 1.187 149 E HN -0.079 nan 8.360 nan 0.000 0.416 150 I N 1.741 122.312 120.570 0.001 0.000 2.509 150 I HA 0.243 4.411 4.170 -0.003 0.000 0.293 150 I C -0.093 176.024 176.117 -0.000 0.000 1.020 150 I CA -0.488 60.821 61.300 0.016 0.000 1.088 150 I CB 2.071 40.078 38.000 0.013 0.000 1.267 150 I HN 0.549 nan 8.210 nan 0.000 0.430 151 T N 2.896 117.459 114.554 0.015 0.000 2.922 151 T HA 0.387 4.735 4.350 -0.003 0.000 0.285 151 T C 0.239 174.927 174.700 -0.019 0.000 1.005 151 T CA -0.669 61.439 62.100 0.014 0.000 1.061 151 T CB 1.552 70.447 68.868 0.045 0.000 1.007 151 T HN 0.390 nan 8.240 nan 0.000 0.502 152 V N -1.074 118.830 119.914 -0.017 0.000 2.887 152 V HA 0.505 4.623 4.120 -0.003 0.000 0.370 152 V C 0.131 176.223 176.094 -0.003 0.000 1.322 152 V CA -0.579 61.696 62.300 -0.042 0.000 1.267 152 V CB -1.062 30.734 31.823 -0.046 0.000 1.344 152 V HN 0.824 nan 8.190 nan 0.000 0.573 161 V N 3.216 123.148 119.914 0.029 0.000 2.382 161 V HA 0.210 4.328 4.120 -0.003 0.000 0.250 161 V C 0.279 176.448 176.094 0.125 0.000 1.069 161 V CA -0.156 62.177 62.300 0.055 0.000 1.130 161 V CB -0.104 31.713 31.823 -0.010 0.000 1.165 161 V HN 0.476 nan 8.190 nan 0.000 0.483 162 K N 4.595 125.071 120.400 0.126 0.000 2.244 162 K HA 0.388 4.706 4.320 -0.003 0.000 0.263 162 K C -0.749 175.855 176.600 0.008 0.000 1.103 162 K CA -0.629 55.708 56.287 0.083 0.000 0.966 162 K CB 1.586 34.112 32.500 0.043 0.000 1.429 162 K HN 0.583 nan 8.250 nan 0.000 0.434 163 L N 4.647 125.866 121.223 -0.007 0.000 2.282 163 L HA 0.163 4.501 4.340 -0.003 0.000 0.287 163 L C -0.061 176.723 176.870 -0.143 0.000 1.075 163 L CA -0.166 54.638 54.840 -0.060 0.000 0.839 163 L CB 0.074 42.126 42.059 -0.012 0.000 1.219 163 L HN 0.368 nan 8.230 nan 0.000 0.434 164 N N 3.503 122.004 118.700 -0.333 0.000 2.492 164 N HA 0.224 4.962 4.740 -0.003 0.000 0.260 164 N C -0.794 174.489 175.510 -0.378 0.000 1.215 164 N CA -0.083 52.685 53.050 -0.470 0.000 0.923 164 N CB 1.627 39.536 38.487 -0.963 0.000 1.092 164 N HN 0.257 nan 8.380 nan 0.000 0.448 165 V N 1.421 121.249 119.914 -0.143 0.000 2.604 165 V HA 0.391 4.509 4.120 -0.003 0.000 0.305 165 V C -0.210 175.963 176.094 0.132 0.000 1.043 165 V CA -0.681 61.639 62.300 0.034 0.000 0.888 165 V CB 2.166 34.023 31.823 0.055 0.000 0.995 165 V HN 0.546 nan 8.190 nan 0.000 0.429 166 E N 2.545 122.902 120.200 0.261 0.000 2.290 166 E HA 0.448 4.796 4.350 -0.003 0.000 0.274 166 E C -1.160 175.577 176.600 0.229 0.000 0.889 166 E CA -0.470 56.084 56.400 0.257 0.000 0.760 166 E CB 3.149 33.064 29.700 0.357 0.000 1.206 166 E HN 0.806 nan 8.360 nan 0.000 0.419 167 E N 2.412 122.715 120.200 0.173 0.000 2.199 167 E HA 0.461 4.809 4.350 -0.003 0.000 0.269 167 E C -0.665 176.000 176.600 0.109 0.000 0.899 167 E CA -0.689 55.814 56.400 0.171 0.000 0.772 167 E CB 1.150 30.971 29.700 0.202 0.000 1.155 167 E HN 0.191 nan 8.360 nan 0.000 0.408 168 R N 0.938 121.479 120.500 0.069 0.000 2.888 168 R HA 0.560 4.898 4.340 -0.003 0.000 0.264 168 R C -0.992 175.240 176.300 -0.114 0.000 1.045 168 R CA -0.836 55.250 56.100 -0.024 0.000 0.962 168 R CB 1.728 31.993 30.300 -0.059 0.000 1.210 168 R HN 0.709 nan 8.270 nan 0.000 0.479 169 S N -1.265 114.290 115.700 -0.241 0.000 2.588 169 S HA 0.686 5.154 4.470 -0.003 0.000 0.275 169 S C -1.105 173.213 174.600 -0.470 0.000 1.130 169 S CA -0.778 57.134 58.200 -0.480 0.000 0.855 169 S CB 2.033 64.740 63.200 -0.822 0.000 1.116 169 S HN 0.390 nan 8.310 nan 0.000 0.472 170 V N 0.302 119.864 119.914 -0.588 0.000 2.971 170 V HA 0.971 5.089 4.120 -0.003 0.000 0.309 170 V C -0.178 175.584 176.094 -0.553 0.000 1.130 170 V CA 0.725 62.677 62.300 -0.579 0.000 0.964 170 V CB 1.450 32.773 31.823 -0.833 0.000 1.029 170 V HN 1.990 nan 8.190 nan 0.000 0.427 171 G N 5.167 113.720 108.800 -0.412 0.000 2.340 171 G HA2 0.515 4.473 3.960 -0.003 0.000 0.298 171 G HA3 0.515 4.473 3.960 -0.003 0.000 0.298 171 G C -3.518 171.257 174.900 -0.209 0.000 1.498 171 G CA -0.362 44.545 45.100 -0.322 0.000 0.847 171 G HN 0.780 nan 8.290 nan 0.000 0.594 172 P HA 0.582 nan 4.420 nan 0.000 0.284 172 P C -0.322 176.882 177.300 -0.160 0.000 1.253 172 P CA -0.441 62.562 63.100 -0.163 0.000 0.800 172 P CB 1.312 32.944 31.700 -0.113 0.000 0.961 173 L N 1.718 122.824 121.223 -0.194 0.000 2.360 173 L HA 0.491 4.829 4.340 -0.003 0.000 0.271 173 L C 1.384 178.186 176.870 -0.114 0.000 1.057 173 L CA -0.205 54.538 54.840 -0.163 0.000 0.803 173 L CB 1.316 43.228 42.059 -0.245 0.000 1.207 173 L HN 0.519 nan 8.230 nan 0.000 0.445 174 T N -3.657 110.857 114.554 -0.066 0.000 3.051 174 T HA 0.220 4.568 4.350 -0.003 0.000 0.254 174 T C 0.804 175.490 174.700 -0.023 0.000 0.916 174 T CA -0.578 61.493 62.100 -0.047 0.000 0.894 174 T CB 0.287 69.136 68.868 -0.030 0.000 1.251 174 T HN 0.254 nan 8.240 nan 0.000 0.517 175 R N 1.694 122.197 120.500 0.005 0.000 2.668 175 R HA 0.655 4.993 4.340 -0.003 0.000 0.268 175 R C 1.890 178.210 176.300 0.032 0.000 1.232 175 R CA 0.336 56.462 56.100 0.044 0.000 1.166 175 R CB -0.179 30.173 30.300 0.087 0.000 1.179 175 R HN 0.375 nan 8.270 nan 0.000 0.606 176 K N 0.450 120.915 120.400 0.109 0.000 2.217 176 K HA 0.083 4.401 4.320 -0.003 0.000 0.202 176 K C 1.166 177.737 176.600 -0.048 0.000 1.051 176 K CA 1.487 57.853 56.287 0.131 0.000 0.952 176 K CB -0.160 32.546 32.500 0.344 0.000 0.736 176 K HN 0.761 nan 8.250 nan 0.000 0.453 177 G N -1.397 107.351 108.800 -0.086 0.000 2.663 177 G HA2 0.633 4.591 3.960 -0.003 0.000 0.299 177 G HA3 0.633 4.591 3.960 -0.003 0.000 0.299 177 G C -1.133 173.540 174.900 -0.379 0.000 1.372 177 G CA -0.168 44.482 45.100 -0.749 0.000 0.781 177 G HN 0.787 nan 8.290 nan 0.000 0.491 178 F N -2.390 117.125 119.950 -0.724 0.000 2.711 178 F HA 0.839 5.364 4.527 -0.003 0.000 0.313 178 F C -2.142 173.411 175.800 -0.412 0.000 1.141 178 F CA -1.968 55.830 58.000 -0.338 0.000 0.941 178 F CB 1.305 40.220 39.000 -0.142 0.000 1.349 178 F HN 0.488 nan 8.300 nan 0.000 0.464 179 Y N 1.452 121.877 120.300 0.208 0.000 2.499 179 Y HA 0.743 5.290 4.550 -0.004 0.000 0.347 179 Y C -0.433 175.705 175.900 0.398 0.000 0.987 179 Y CA -0.995 57.239 58.100 0.223 0.000 1.044 179 Y CB 2.087 40.787 38.460 0.400 0.000 1.245 179 Y HN 0.534 nan 8.280 nan 0.000 0.461 180 L N 1.950 123.414 121.223 0.403 0.000 2.365 180 L HA 0.988 5.326 4.340 -0.003 0.000 0.267 180 L C -0.200 176.721 176.870 0.085 0.000 1.033 180 L CA -1.019 53.962 54.840 0.235 0.000 0.802 180 L CB 1.612 43.692 42.059 0.035 0.000 1.267 180 L HN 0.780 nan 8.230 nan 0.000 0.457 181 A N 0.379 123.063 122.820 -0.226 0.000 2.581 181 A HA 0.861 5.179 4.320 -0.003 0.000 0.290 181 A C -1.864 175.275 177.584 -0.741 0.000 1.119 181 A CA -0.418 51.435 52.037 -0.306 0.000 0.670 181 A CB 1.464 20.390 19.000 -0.125 0.000 1.280 181 A HN 0.452 nan 8.150 nan 0.000 0.425 182 F N -0.247 119.570 119.950 -0.221 0.000 2.608 182 F HA 0.646 5.172 4.527 -0.003 0.000 0.309 182 F C -0.128 175.502 175.800 -0.283 0.000 1.103 182 F CA -0.253 57.632 58.000 -0.192 0.000 0.954 182 F CB 2.570 41.250 39.000 -0.534 0.000 1.267 182 F HN 0.688 nan 8.300 nan 0.000 0.444 183 Q N 2.232 122.039 119.800 0.011 0.000 2.337 183 Q HA 0.434 4.772 4.340 -0.003 0.000 0.270 183 Q C -2.105 173.967 176.000 0.119 0.000 1.043 183 Q CA -0.745 54.846 55.803 -0.354 0.000 0.794 183 Q CB 2.496 30.693 28.738 -0.903 0.000 1.281 183 Q HN 0.758 nan 8.270 nan 0.000 0.446 184 D N 3.820 124.281 120.400 0.101 0.000 2.375 184 D HA 0.294 4.932 4.640 -0.003 0.000 0.247 184 D C -0.094 176.177 176.300 -0.049 0.000 1.061 184 D CA -0.538 53.470 54.000 0.013 0.000 0.834 184 D CB 1.036 41.646 40.800 -0.317 0.000 1.247 184 D HN 0.541 nan 8.370 nan 0.000 0.489 185 I N 3.313 123.876 120.570 -0.011 0.000 3.856 185 I HA 0.386 4.554 4.170 -0.003 0.000 0.330 185 I C 1.041 177.154 176.117 -0.006 0.000 1.546 185 I CA -0.091 61.210 61.300 0.001 0.000 1.132 185 I CB -0.059 37.959 38.000 0.030 0.000 1.157 185 I HN 0.816 nan 8.210 nan 0.000 0.440 186 G N 1.493 110.269 108.800 -0.039 0.000 2.188 186 G HA2 0.074 4.032 3.960 -0.003 0.000 0.112 186 G HA3 0.074 4.032 3.960 -0.003 0.000 0.112 186 G C 0.114 175.010 174.900 -0.007 0.000 1.048 186 G CA -0.143 44.938 45.100 -0.032 0.000 0.720 186 G HN 0.534 nan 8.290 nan 0.000 0.487 187 A N -0.769 122.033 122.820 -0.030 0.000 2.294 187 A HA 0.734 5.052 4.320 -0.003 0.000 0.330 187 A C 0.607 178.170 177.584 -0.034 0.000 1.133 187 A CA -0.002 52.046 52.037 0.018 0.000 0.836 187 A CB 1.491 20.532 19.000 0.070 0.000 1.190 187 A HN 1.502 nan 8.150 nan 0.000 0.492 188 c N 3.201 121.839 118.600 0.063 0.000 2.125 188 c HA 0.601 5.169 4.570 -0.003 0.000 0.355 188 c C -0.385 173.740 174.090 0.058 0.000 1.047 188 c CA -0.312 56.052 56.329 0.058 0.000 1.501 188 c CB -2.373 40.286 42.510 0.248 0.000 1.783 188 c HN 0.543 nan 8.230 nan 0.000 0.455 189 V N 4.834 124.715 119.914 -0.056 0.000 2.513 189 V HA 0.805 4.923 4.120 -0.003 0.000 0.299 189 V C 0.480 176.582 176.094 0.014 0.000 1.035 189 V CA -0.446 61.850 62.300 -0.007 0.000 0.889 189 V CB 1.499 33.225 31.823 -0.162 0.000 0.988 189 V HN 0.869 nan 8.190 nan 0.000 0.440 190 A N 4.314 127.208 122.820 0.123 0.000 2.318 190 A HA 0.854 5.172 4.320 -0.003 0.000 0.324 190 A C -1.088 176.621 177.584 0.208 0.000 1.170 190 A CA -0.505 51.623 52.037 0.150 0.000 0.810 190 A CB 1.216 20.296 19.000 0.134 0.000 1.198 190 A HN 0.846 nan 8.150 nan 0.000 0.484 191 L N 3.457 124.801 121.223 0.201 0.000 2.318 191 L HA 0.558 4.896 4.340 -0.003 0.000 0.277 191 L C -0.563 176.428 176.870 0.202 0.000 1.008 191 L CA -0.181 54.755 54.840 0.159 0.000 0.846 191 L CB 1.039 43.060 42.059 -0.063 0.000 1.220 191 L HN 0.600 nan 8.230 nan 0.000 0.423 192 L N 2.638 124.020 121.223 0.265 0.000 2.515 192 L HA 0.440 4.778 4.340 -0.003 0.000 0.223 192 L C 0.585 177.683 176.870 0.380 0.000 1.079 192 L CA 0.545 55.562 54.840 0.296 0.000 0.857 192 L CB 0.025 42.207 42.059 0.205 0.000 1.050 192 L HN 0.668 nan 8.230 nan 0.000 0.476 193 S N -1.020 114.899 115.700 0.366 0.000 2.535 193 S HA 0.732 5.200 4.470 -0.003 0.000 0.272 193 S C -1.590 173.237 174.600 0.379 0.000 1.149 193 S CA -0.499 57.931 58.200 0.384 0.000 0.888 193 S CB 1.510 64.872 63.200 0.271 0.000 1.110 193 S HN -0.271 nan 8.310 nan 0.000 0.463 194 V N 5.123 125.296 119.914 0.433 0.000 2.559 194 V HA 0.534 4.652 4.120 -0.003 0.000 0.289 194 V C -0.659 175.688 176.094 0.421 0.000 1.036 194 V CA -0.613 61.950 62.300 0.440 0.000 0.887 194 V CB 1.611 33.749 31.823 0.525 0.000 1.022 194 V HN 0.837 nan 8.190 nan 0.000 0.442 195 R N 3.158 123.881 120.500 0.372 0.000 2.393 195 R HA 0.769 5.107 4.340 -0.003 0.000 0.315 195 R C -1.168 175.362 176.300 0.382 0.000 0.952 195 R CA -0.609 55.709 56.100 0.364 0.000 0.842 195 R CB 2.437 32.939 30.300 0.337 0.000 1.163 195 R HN 0.508 nan 8.270 nan 0.000 0.450 196 V N 4.750 124.876 119.914 0.353 0.000 2.435 196 V HA 0.489 4.607 4.120 -0.003 0.000 0.290 196 V C -0.731 175.568 176.094 0.342 0.000 1.030 196 V CA -0.834 61.635 62.300 0.282 0.000 0.881 196 V CB 0.807 32.807 31.823 0.295 0.000 0.983 196 V HN 0.727 nan 8.190 nan 0.000 0.445 197 Y N 3.610 124.052 120.300 0.237 0.000 2.615 197 Y HA 0.856 5.404 4.550 -0.003 0.000 0.341 197 Y C -0.992 175.096 175.900 0.313 0.000 1.089 197 Y CA -1.826 56.390 58.100 0.193 0.000 1.049 197 Y CB 1.498 40.000 38.460 0.071 0.000 1.296 197 Y HN 0.668 nan 8.280 nan 0.000 0.470 198 Y N -0.720 119.714 120.300 0.223 0.000 2.633 198 Y HA 0.833 5.381 4.550 -0.003 0.000 0.339 198 Y C -1.334 174.699 175.900 0.223 0.000 1.045 198 Y CA -1.854 56.364 58.100 0.196 0.000 1.098 198 Y CB 1.763 40.276 38.460 0.089 0.000 1.296 198 Y HN 0.568 nan 8.280 nan 0.000 0.494 199 K N 1.862 122.414 120.400 0.252 0.000 2.156 199 K HA 0.554 4.872 4.320 -0.003 0.000 0.254 199 K C -1.248 175.387 176.600 0.058 0.000 0.950 199 K CA -1.121 55.200 56.287 0.057 0.000 0.849 199 K CB 2.069 34.571 32.500 0.004 0.000 1.100 199 K HN 0.612 nan 8.250 nan 0.000 0.434 200 K N 0.945 121.314 120.400 -0.052 0.000 2.435 200 K HA 0.394 4.712 4.320 -0.003 0.000 0.251 200 K C -1.020 175.475 176.600 -0.176 0.000 0.954 200 K CA -0.880 55.371 56.287 -0.060 0.000 0.820 200 K CB 2.044 34.531 32.500 -0.022 0.000 1.292 200 K HN 0.537 nan 8.250 nan 0.000 0.436 201 c N 3.772 122.178 118.600 -0.323 0.000 2.482 201 c HA 0.264 4.832 4.570 -0.003 0.000 0.378 201 c C -1.830 172.168 174.090 -0.152 0.000 1.284 201 c CA -1.254 54.705 56.329 -0.616 0.000 1.826 201 c CB -0.577 40.948 42.510 -1.641 0.000 2.473 201 c HN 0.530 nan 8.230 nan 0.000 0.562 202 P HA 0.063 nan 4.420 nan 0.000 0.272 202 P C -0.282 177.270 177.300 0.420 0.000 1.223 202 P CA 0.069 63.306 63.100 0.228 0.000 0.784 202 P CB 0.478 32.284 31.700 0.176 0.000 0.923 203 E N 1.649 121.999 120.200 0.250 0.000 2.608 203 E HA 0.038 4.386 4.350 -0.003 0.000 0.259 203 E C -0.952 175.709 176.600 0.102 0.000 0.951 203 E CA 0.245 56.741 56.400 0.159 0.000 0.945 203 E CB 0.021 29.806 29.700 0.141 0.000 0.916 203 E HN 0.332 nan 8.360 nan 0.000 0.477 204 L N 6.050 127.240 121.223 -0.056 0.000 2.436 204 L HA 0.365 4.703 4.340 -0.003 0.000 0.268 204 L C -1.366 175.476 176.870 -0.048 0.000 0.974 204 L CA -0.933 53.852 54.840 -0.092 0.000 0.826 204 L CB 1.333 43.150 42.059 -0.403 0.000 1.291 204 L HN 0.616 nan 8.230 nan 0.000 0.406 205 L N 4.931 126.164 121.223 0.017 0.000 2.262 205 L HA 0.521 4.859 4.340 -0.003 0.000 0.288 205 L C -0.414 176.479 176.870 0.039 0.000 1.035 205 L CA 0.026 54.900 54.840 0.056 0.000 0.820 205 L CB 1.418 43.516 42.059 0.065 0.000 1.204 205 L HN 0.575 nan 8.230 nan 0.000 0.424 206 Q N 1.859 121.715 119.800 0.094 0.000 2.340 206 Q HA 0.441 4.779 4.340 -0.003 0.000 0.276 206 Q C 0.386 176.451 176.000 0.108 0.000 1.048 206 Q CA -0.157 55.680 55.803 0.056 0.000 0.832 206 Q CB 2.271 30.976 28.738 -0.055 0.000 1.373 206 Q HN 0.744 nan 8.270 nan 0.000 0.409 207 G N 3.077 111.907 108.800 0.050 0.000 2.283 207 G HA2 -0.277 3.681 3.960 -0.003 0.000 0.280 207 G HA3 -0.277 3.681 3.960 -0.003 0.000 0.280 207 G C 0.417 175.335 174.900 0.031 0.000 1.029 207 G CA 0.579 45.706 45.100 0.044 0.000 0.840 207 G HN 0.950 nan 8.290 nan 0.000 0.505 208 L N -3.880 117.353 121.223 0.017 0.000 4.001 208 L HA -0.195 4.143 4.340 -0.003 0.000 0.413 208 L C 1.084 177.929 176.870 -0.041 0.000 1.185 208 L CA 1.025 55.859 54.840 -0.009 0.000 0.963 208 L CB -1.945 40.107 42.059 -0.012 0.000 1.976 208 L HN 1.542 nan 8.230 nan 0.000 0.939 209 A N -1.289 121.503 122.820 -0.047 0.000 2.430 209 A HA 0.771 5.089 4.320 -0.003 0.000 0.300 209 A C -0.698 176.748 177.584 -0.230 0.000 1.124 209 A CA -0.480 51.440 52.037 -0.194 0.000 0.766 209 A CB 1.512 20.309 19.000 -0.339 0.000 1.328 209 A HN 0.303 nan 8.150 nan 0.000 0.424 210 H N 0.405 119.173 119.070 -0.504 0.000 2.489 210 H HA 0.626 5.180 4.556 -0.004 0.000 0.343 210 H C -1.998 172.929 175.328 -0.668 0.000 1.086 210 H CA -0.393 55.419 56.048 -0.393 0.000 1.198 210 H CB 0.850 30.477 29.762 -0.225 0.000 1.490 210 H HN 0.437 nan 8.280 nan 0.000 0.504 211 F N 6.262 125.771 119.950 -0.736 0.000 2.449 211 F HA 0.310 4.835 4.527 -0.004 0.000 0.342 211 F C -2.001 173.450 175.800 -0.582 0.000 1.127 211 F CA -2.153 55.485 58.000 -0.602 0.000 0.975 211 F CB 1.704 40.228 39.000 -0.793 0.000 1.146 211 F HN 0.407 nan 8.300 nan 0.000 0.444 212 P HA -0.027 nan 4.420 nan 0.000 0.269 212 P C -0.461 176.982 177.300 0.239 0.000 1.215 212 P CA -0.259 62.886 63.100 0.074 0.000 0.780 212 P CB 0.818 32.602 31.700 0.140 0.000 0.898 213 E N 1.156 121.482 120.200 0.210 0.000 2.480 213 E HA 0.111 4.459 4.350 -0.003 0.000 0.258 213 E C -0.254 176.455 176.600 0.181 0.000 0.984 213 E CA 0.114 56.645 56.400 0.217 0.000 0.930 213 E CB 0.152 29.943 29.700 0.151 0.000 0.936 213 E HN 0.458 nan 8.360 nan 0.000 0.466 214 T N 2.435 117.069 114.554 0.133 0.000 2.893 214 T HA 0.465 4.813 4.350 -0.003 0.000 0.291 214 T C 0.065 174.757 174.700 -0.013 0.000 1.028 214 T CA -1.092 61.047 62.100 0.064 0.000 0.995 214 T CB 0.874 69.797 68.868 0.092 0.000 1.051 214 T HN 0.267 nan 8.240 nan 0.000 0.470 215 I N 1.975 122.559 120.570 0.024 0.000 2.496 215 I HA 0.417 4.585 4.170 -0.003 0.000 0.285 215 I C 1.182 177.295 176.117 -0.007 0.000 1.080 215 I CA -0.817 60.510 61.300 0.045 0.000 1.404 215 I CB -0.257 37.768 38.000 0.043 0.000 1.403 215 I HN 0.987 nan 8.210 nan 0.000 0.539 216 A N 5.460 128.281 122.820 0.002 0.000 2.520 216 A HA 0.466 4.784 4.320 -0.003 0.000 0.245 216 A C 0.920 178.509 177.584 0.008 0.000 1.072 216 A CA 0.189 52.216 52.037 -0.017 0.000 0.761 216 A CB -0.274 18.735 19.000 0.015 0.000 1.004 216 A HN 0.973 nan 8.150 nan 0.000 0.499 217 G N 0.634 109.427 108.800 -0.012 0.000 2.616 217 G HA2 0.363 4.321 3.960 -0.003 0.000 0.268 217 G HA3 0.363 4.321 3.960 -0.003 0.000 0.268 217 G C 1.079 175.965 174.900 -0.023 0.000 1.213 217 G CA 0.370 45.458 45.100 -0.020 0.000 0.926 217 G HN 0.775 nan 8.290 nan 0.000 0.523 218 S N -0.728 114.942 115.700 -0.050 0.000 2.371 218 S HA -0.004 4.464 4.470 -0.003 0.000 0.221 218 S C 0.742 175.301 174.600 -0.068 0.000 1.036 218 S CA 0.403 58.554 58.200 -0.082 0.000 0.965 218 S CB -0.362 62.772 63.200 -0.110 0.000 0.845 218 S HN 0.601 nan 8.310 nan 0.000 0.475 219 D N 1.465 121.835 120.400 -0.050 0.000 2.424 219 D HA 0.297 4.935 4.640 -0.003 0.000 0.244 219 D C 0.985 177.272 176.300 -0.021 0.000 1.134 219 D CA 0.492 54.468 54.000 -0.039 0.000 0.881 219 D CB 1.104 41.886 40.800 -0.031 0.000 1.191 219 D HN 0.266 nan 8.370 nan 0.000 0.445 220 A N 4.797 127.606 122.820 -0.018 0.000 1.883 220 A HA -0.109 4.209 4.320 -0.003 0.000 0.217 220 A C -0.495 177.088 177.584 -0.002 0.000 1.186 220 A CA 0.887 52.923 52.037 -0.001 0.000 0.624 220 A CB -1.298 17.702 19.000 -0.001 0.000 0.822 220 A HN 0.532 nan 8.150 nan 0.000 0.444 221 P HA 0.114 nan 4.420 nan 0.000 0.258 221 P C -0.359 176.940 177.300 -0.003 0.000 1.403 221 P CA 0.126 63.222 63.100 -0.006 0.000 0.826 221 P CB -0.314 31.381 31.700 -0.008 0.000 1.414 222 S N 0.906 116.605 115.700 -0.002 0.000 2.455 222 S HA 0.255 4.723 4.470 -0.003 0.000 0.278 222 S C 0.222 174.829 174.600 0.011 0.000 1.216 222 S CA -0.049 58.153 58.200 0.003 0.000 1.055 222 S CB -0.086 63.112 63.200 -0.003 0.000 0.939 222 S HN 0.181 nan 8.310 nan 0.000 0.494 223 L N 3.533 124.774 121.223 0.030 0.000 2.345 223 L HA 0.501 4.839 4.340 -0.003 0.000 0.274 223 L C 0.152 177.084 176.870 0.103 0.000 0.999 223 L CA -0.685 54.196 54.840 0.067 0.000 0.849 223 L CB 1.259 43.356 42.059 0.065 0.000 1.220 223 L HN 0.619 nan 8.230 nan 0.000 0.422 224 A N 2.374 125.244 122.820 0.084 0.000 2.320 224 A HA 0.530 4.848 4.320 -0.003 0.000 0.287 224 A C 0.266 177.923 177.584 0.122 0.000 1.181 224 A CA -0.169 51.919 52.037 0.086 0.000 0.831 224 A CB 0.268 19.295 19.000 0.044 0.000 1.102 224 A HN 0.595 nan 8.150 nan 0.000 0.513 225 T N 2.667 117.288 114.554 0.113 0.000 2.761 225 T HA 0.408 4.755 4.350 -0.003 0.000 0.296 225 T C -0.123 174.603 174.700 0.044 0.000 0.934 225 T CA 0.020 62.130 62.100 0.016 0.000 1.091 225 T CB 0.446 69.346 68.868 0.053 0.000 0.896 225 T HN 0.377 nan 8.240 nan 0.000 0.515 226 V N 3.506 123.459 119.914 0.064 0.000 2.350 226 V HA 0.568 4.686 4.120 -0.003 0.000 0.285 226 V C 0.585 176.787 176.094 0.180 0.000 1.014 226 V CA -1.268 61.139 62.300 0.179 0.000 0.831 226 V CB 1.071 33.126 31.823 0.388 0.000 1.000 226 V HN 1.088 nan 8.190 nan 0.000 0.433 227 A N 4.076 126.959 122.820 0.106 0.000 2.498 227 A HA 0.601 4.919 4.320 -0.003 0.000 0.239 227 A C 0.820 178.367 177.584 -0.061 0.000 1.068 227 A CA 0.613 52.681 52.037 0.051 0.000 0.766 227 A CB 0.215 19.219 19.000 0.006 0.000 1.003 227 A HN 1.067 nan 8.150 nan 0.000 0.497 228 G N 0.318 108.952 108.800 -0.276 0.000 2.434 228 G HA2 0.547 4.505 3.960 -0.003 0.000 0.330 228 G HA3 0.547 4.505 3.960 -0.003 0.000 0.330 228 G C -0.425 174.187 174.900 -0.480 0.000 1.155 228 G CA -0.293 44.248 45.100 -0.930 0.000 0.917 228 G HN 0.692 nan 8.290 nan 0.000 0.493 229 T N 0.429 114.717 114.554 -0.444 0.000 2.779 229 T HA 0.256 4.604 4.350 -0.003 0.000 0.280 229 T C 0.069 174.641 174.700 -0.213 0.000 0.987 229 T CA -0.216 61.747 62.100 -0.229 0.000 0.966 229 T CB 0.840 69.630 68.868 -0.130 0.000 0.933 229 T HN 0.583 nan 8.240 nan 0.000 0.442 230 c N 4.711 123.213 118.600 -0.164 0.000 2.590 230 c HA 0.216 4.784 4.570 -0.003 0.000 0.411 230 c C 1.444 175.454 174.090 -0.134 0.000 1.420 230 c CA -0.936 55.312 56.329 -0.134 0.000 1.643 230 c CB -1.620 40.826 42.510 -0.107 0.000 2.528 230 c HN 0.774 nan 8.230 nan 0.000 0.606 231 V N 3.647 123.490 119.914 -0.120 0.000 3.332 231 V HA 0.151 4.269 4.120 -0.003 0.000 0.305 231 V C 0.514 176.507 176.094 -0.168 0.000 1.114 231 V CA -0.250 61.974 62.300 -0.127 0.000 1.194 231 V CB 0.335 32.104 31.823 -0.089 0.000 1.027 231 V HN 0.743 nan 8.190 nan 0.000 0.492 232 D N 2.392 122.661 120.400 -0.219 0.000 2.472 232 D HA 0.019 4.657 4.640 -0.003 0.000 0.237 232 D C 0.784 176.841 176.300 -0.405 0.000 1.141 232 D CA 0.988 54.759 54.000 -0.383 0.000 0.875 232 D CB -0.103 40.425 40.800 -0.453 0.000 1.192 232 D HN 0.970 nan 8.370 nan 0.000 0.450 233 H N -2.059 116.842 119.070 -0.282 0.000 3.080 233 H HA -0.175 4.379 4.556 -0.003 0.000 0.254 233 H C -0.031 175.150 175.328 -0.245 0.000 1.179 233 H CA 1.010 56.818 56.048 -0.401 0.000 1.144 233 H CB -1.691 27.478 29.762 -0.988 0.000 1.261 233 H HN 0.527 nan 8.280 nan 0.000 0.333 234 A N -0.077 122.682 122.820 -0.101 0.000 2.350 234 A HA 0.834 5.152 4.320 -0.003 0.000 0.318 234 A C -0.259 177.291 177.584 -0.057 0.000 1.132 234 A CA 0.019 52.021 52.037 -0.059 0.000 0.811 234 A CB 2.937 21.901 19.000 -0.060 0.000 1.313 234 A HN 0.168 nan 8.150 nan 0.000 0.454 235 V N 0.110 120.003 119.914 -0.035 0.000 3.178 235 V HA 0.548 4.666 4.120 -0.003 0.000 0.302 235 V C -1.184 174.897 176.094 -0.022 0.000 1.262 235 V CA -0.504 61.777 62.300 -0.031 0.000 1.030 235 V CB 2.256 34.067 31.823 -0.019 0.000 1.074 235 V HN 1.294 nan 8.190 nan 0.000 0.438 236 V N 7.197 127.098 119.914 -0.022 0.000 2.364 236 V HA 0.562 4.680 4.120 -0.003 0.000 0.272 236 V C -1.234 174.857 176.094 -0.006 0.000 1.036 236 V CA -0.933 61.360 62.300 -0.012 0.000 0.880 236 V CB 1.572 33.387 31.823 -0.013 0.000 0.991 236 V HN 0.968 nan 8.190 nan 0.000 0.460 237 P HA 0.247 nan 4.420 nan 0.000 0.217 237 P C -1.425 175.878 177.300 0.006 0.000 1.153 237 P CA 0.431 63.533 63.100 0.004 0.000 0.843 237 P CB -0.949 30.756 31.700 0.008 0.000 0.794 242 E N 4.881 125.094 120.200 0.021 0.000 2.313 242 E HA 0.286 4.634 4.350 -0.003 0.000 0.276 242 E C -2.058 174.562 176.600 0.033 0.000 1.031 242 E CA -1.909 54.499 56.400 0.015 0.000 0.857 242 E CB 0.847 30.551 29.700 0.006 0.000 1.040 242 E HN 0.264 nan 8.360 nan 0.000 0.408 243 P HA 0.099 nan 4.420 nan 0.000 0.271 243 P C -0.764 176.645 177.300 0.181 0.000 1.226 243 P CA 0.286 63.451 63.100 0.108 0.000 0.765 243 P CB 0.677 32.418 31.700 0.069 0.000 0.835 244 R N 2.639 123.254 120.500 0.193 0.000 2.740 244 R HA 0.692 5.030 4.340 -0.003 0.000 0.273 244 R C -0.256 175.963 176.300 -0.134 0.000 0.998 244 R CA -0.814 55.351 56.100 0.108 0.000 0.900 244 R CB 1.898 32.185 30.300 -0.022 0.000 1.223 244 R HN 0.423 nan 8.270 nan 0.000 0.466 245 M N 1.160 120.556 119.600 -0.340 0.000 2.658 245 M HA 0.385 4.863 4.480 -0.003 0.000 0.295 245 M C -1.299 174.804 176.300 -0.329 0.000 1.248 245 M CA -0.801 54.234 55.300 -0.440 0.000 0.843 245 M CB 2.231 34.268 32.600 -0.938 0.000 1.749 245 M HN 0.660 nan 8.290 nan 0.000 0.464 246 H N -0.557 118.639 119.070 0.210 0.000 2.646 246 H HA 0.387 4.941 4.556 -0.003 0.000 0.328 246 H C -0.809 174.608 175.328 0.148 0.000 0.998 246 H CA -0.399 55.753 56.048 0.174 0.000 1.225 246 H CB 1.714 31.525 29.762 0.081 0.000 1.457 246 H HN 0.652 nan 8.280 nan 0.000 0.505 247 c N 3.976 122.630 118.600 0.090 0.000 2.325 247 c HA 0.804 5.372 4.570 -0.003 0.000 0.347 247 c C 0.831 174.851 174.090 -0.118 0.000 1.263 247 c CA -0.274 55.911 56.329 -0.240 0.000 1.806 247 c CB -1.843 40.379 42.510 -0.481 0.000 2.405 247 c HN 0.909 nan 8.230 nan 0.000 0.537 248 A N 4.264 127.003 122.820 -0.135 0.000 2.252 248 A HA 0.518 4.836 4.320 -0.003 0.000 0.305 248 A C 1.204 178.743 177.584 -0.075 0.000 1.097 248 A CA 0.157 52.152 52.037 -0.071 0.000 0.849 248 A CB 0.475 19.445 19.000 -0.049 0.000 1.142 248 A HN 1.761 nan 8.150 nan 0.000 0.499 249 V N -1.474 118.427 119.914 -0.023 0.000 2.913 249 V HA -0.089 4.029 4.120 -0.003 0.000 0.260 249 V C 1.091 177.202 176.094 0.029 0.000 1.098 249 V CA 2.231 64.546 62.300 0.024 0.000 1.121 249 V CB -0.949 30.913 31.823 0.066 0.000 0.714 249 V HN 0.855 nan 8.190 nan 0.000 0.487 250 D N 0.353 120.734 120.400 -0.032 0.000 2.349 250 D HA 0.212 4.850 4.640 -0.003 0.000 0.214 250 D C 1.599 177.830 176.300 -0.115 0.000 1.063 250 D CA 0.599 54.552 54.000 -0.078 0.000 0.847 250 D CB 0.189 40.944 40.800 -0.074 0.000 0.933 250 D HN 0.862 nan 8.370 nan 0.000 0.513 251 G N 0.447 109.162 108.800 -0.141 0.000 2.143 251 G HA2 -0.281 3.677 3.960 -0.003 0.000 0.249 251 G HA3 -0.281 3.677 3.960 -0.003 0.000 0.249 251 G C -0.164 174.561 174.900 -0.293 0.000 0.981 251 G CA 0.032 44.995 45.100 -0.229 0.000 0.665 251 G HN 0.454 nan 8.290 nan 0.000 0.528 252 E N -0.890 119.183 120.200 -0.211 0.000 2.301 252 E HA 0.391 4.739 4.350 -0.003 0.000 0.275 252 E C -0.277 176.218 176.600 -0.175 0.000 1.030 252 E CA -0.784 55.527 56.400 -0.148 0.000 0.852 252 E CB 0.665 30.332 29.700 -0.055 0.000 1.060 252 E HN 0.374 nan 8.360 nan 0.000 0.401 253 W N 3.774 125.043 121.300 -0.052 0.000 2.335 253 W HA 0.180 4.838 4.660 -0.004 0.000 0.306 253 W C 0.754 177.241 176.519 -0.054 0.000 1.216 253 W CA -0.444 56.854 57.345 -0.078 0.000 1.237 253 W CB 0.538 29.910 29.460 -0.147 0.000 1.243 253 W HN 0.477 nan 8.180 nan 0.000 0.493 254 L N 3.277 124.635 121.223 0.224 0.000 2.276 254 L HA 0.158 4.496 4.340 -0.003 0.000 0.194 254 L C 0.572 177.510 176.870 0.114 0.000 1.099 254 L CA 0.331 55.248 54.840 0.129 0.000 0.800 254 L CB -0.362 41.742 42.059 0.075 0.000 0.994 254 L HN 0.215 nan 8.230 nan 0.000 0.475 255 V N -1.924 118.105 119.914 0.193 0.000 2.357 255 V HA 0.461 4.579 4.120 -0.003 0.000 0.281 255 V C -2.766 173.453 176.094 0.208 0.000 1.015 255 V CA -2.277 60.102 62.300 0.133 0.000 0.827 255 V CB 0.642 32.457 31.823 -0.013 0.000 1.018 255 V HN -0.022 nan 8.190 nan 0.000 0.432 256 P HA 0.402 nan 4.420 nan 0.000 0.266 256 P C -0.496 176.843 177.300 0.065 0.000 1.215 256 P CA 0.417 63.526 63.100 0.014 0.000 0.763 256 P CB 0.479 32.163 31.700 -0.027 0.000 0.806 257 I N 2.855 123.476 120.570 0.084 0.000 2.436 257 I HA 0.574 4.742 4.170 -0.003 0.000 0.289 257 I C 0.830 176.990 176.117 0.071 0.000 1.010 257 I CA -0.310 61.044 61.300 0.089 0.000 1.098 257 I CB 1.516 39.595 38.000 0.132 0.000 1.266 257 I HN 0.583 nan 8.210 nan 0.000 0.434 258 G N 5.479 114.313 108.800 0.055 0.000 2.828 258 G HA2 -0.101 3.857 3.960 -0.003 0.000 0.463 258 G HA3 -0.101 3.857 3.960 -0.003 0.000 0.463 258 G C -1.055 173.876 174.900 0.051 0.000 1.394 258 G CA -0.091 45.038 45.100 0.048 0.000 0.862 258 G HN 0.963 nan 8.290 nan 0.000 0.540 259 Q N -2.063 117.760 119.800 0.038 0.000 2.687 259 Q HA 0.628 4.966 4.340 -0.003 0.000 0.295 259 Q C -0.945 175.062 176.000 0.012 0.000 0.920 259 Q CA -0.851 54.973 55.803 0.034 0.000 0.766 259 Q CB 0.972 29.726 28.738 0.028 0.000 1.467 259 Q HN 1.186 nan 8.270 nan 0.000 0.415 260 c N 1.044 119.645 118.600 0.001 0.000 2.454 260 c HA 0.779 5.347 4.570 -0.003 0.000 0.336 260 c C -0.356 173.731 174.090 -0.005 0.000 1.189 260 c CA -0.618 55.703 56.329 -0.013 0.000 1.877 260 c CB 0.500 42.988 42.510 -0.037 0.000 2.348 260 c HN 0.638 nan 8.230 nan 0.000 0.508 261 L N 1.165 122.387 121.223 -0.003 0.000 2.346 261 L HA 0.415 4.753 4.340 -0.003 0.000 0.274 261 L C -0.348 176.528 176.870 0.010 0.000 1.007 261 L CA -0.365 54.478 54.840 0.006 0.000 0.818 261 L CB 1.194 43.260 42.059 0.011 0.000 1.284 261 L HN 0.700 nan 8.230 nan 0.000 0.424 262 c N 2.553 121.166 118.600 0.022 0.000 2.633 262 c HA 0.095 4.663 4.570 -0.003 0.000 0.415 262 c C 0.829 174.963 174.090 0.074 0.000 1.393 262 c CA -0.612 55.746 56.329 0.048 0.000 1.700 262 c CB -0.567 41.988 42.510 0.076 0.000 2.541 262 c HN 0.751 nan 8.230 nan 0.000 0.603 263 Q N 3.525 123.383 119.800 0.097 0.000 2.316 263 Q HA 0.574 4.912 4.340 -0.003 0.000 0.215 263 Q C 0.183 176.274 176.000 0.153 0.000 1.020 263 Q CA -0.669 55.196 55.803 0.103 0.000 0.970 263 Q CB 0.518 29.307 28.738 0.086 0.000 1.187 263 Q HN 0.775 nan 8.270 nan 0.000 0.546 264 A N -0.028 122.835 122.820 0.072 0.000 2.603 264 A HA 0.309 4.627 4.320 -0.003 0.000 0.235 264 A C 1.292 178.896 177.584 0.033 0.000 1.035 264 A CA 0.882 52.934 52.037 0.025 0.000 0.755 264 A CB -1.233 17.720 19.000 -0.078 0.000 0.954 264 A HN 1.468 nan 8.150 nan 0.000 0.511 265 G N 0.302 109.076 108.800 -0.043 0.000 2.179 265 G HA2 -0.261 3.697 3.960 -0.003 0.000 0.260 265 G HA3 -0.261 3.697 3.960 -0.003 0.000 0.260 265 G C -0.062 174.541 174.900 -0.495 0.000 0.977 265 G CA 0.979 45.932 45.100 -0.244 0.000 0.641 265 G HN 1.099 nan 8.290 nan 0.000 0.533 266 Y N 0.644 120.917 120.300 -0.045 0.000 2.545 266 Y HA 0.613 5.161 4.550 -0.003 0.000 0.348 266 Y C 0.281 176.157 175.900 -0.039 0.000 1.002 266 Y CA -0.588 57.477 58.100 -0.058 0.000 1.039 266 Y CB 1.657 40.078 38.460 -0.065 0.000 1.271 266 Y HN 0.433 nan 8.280 nan 0.000 0.467 267 E N 0.357 120.634 120.200 0.129 0.000 2.431 267 E HA 0.473 4.821 4.350 -0.003 0.000 0.268 267 E C -1.564 175.065 176.600 0.049 0.000 0.953 267 E CA -1.479 54.953 56.400 0.052 0.000 0.810 267 E CB 2.188 31.881 29.700 -0.012 0.000 1.369 267 E HN 0.409 nan 8.360 nan 0.000 0.440 268 K N 1.201 121.613 120.400 0.019 0.000 2.262 268 K HA 0.325 4.643 4.320 -0.003 0.000 0.282 268 K C -1.440 175.159 176.600 -0.001 0.000 1.066 268 K CA -0.514 55.781 56.287 0.012 0.000 0.901 268 K CB 1.044 33.548 32.500 0.007 0.000 1.089 268 K HN 0.370 nan 8.250 nan 0.000 0.476 269 V N 5.661 125.577 119.914 0.002 0.000 2.407 269 V HA 0.152 4.269 4.120 -0.003 0.000 0.291 269 V C 0.306 176.398 176.094 -0.002 0.000 1.018 269 V CA -0.561 61.734 62.300 -0.008 0.000 0.842 269 V CB 0.951 32.767 31.823 -0.013 0.000 0.996 269 V HN 1.116 nan 8.190 nan 0.000 0.426 270 E N 2.570 122.768 120.200 -0.004 0.000 3.287 270 E HA -0.316 4.032 4.350 -0.003 0.000 0.405 270 E C 0.063 176.665 176.600 0.003 0.000 1.541 270 E CA 1.906 58.306 56.400 -0.001 0.000 1.405 270 E CB -0.543 29.157 29.700 0.001 0.000 1.576 270 E HN 0.832 nan 8.360 nan 0.000 0.474 271 D N 1.093 121.496 120.400 0.006 0.000 2.395 271 D HA 0.420 5.058 4.640 -0.003 0.000 0.213 271 D C 0.025 176.328 176.300 0.005 0.000 1.110 271 D CA 0.707 54.712 54.000 0.008 0.000 0.835 271 D CB 0.864 41.673 40.800 0.015 0.000 0.965 271 D HN 0.312 nan 8.370 nan 0.000 0.505 272 A N -0.221 122.601 122.820 0.003 0.000 2.475 272 A HA 0.586 4.904 4.320 -0.003 0.000 0.281 272 A C -0.853 176.736 177.584 0.008 0.000 1.263 272 A CA -0.497 51.539 52.037 -0.002 0.000 0.776 272 A CB 1.390 20.389 19.000 -0.002 0.000 1.347 272 A HN 0.200 nan 8.150 nan 0.000 0.443 273 c N 0.869 119.474 118.600 0.007 0.000 2.341 273 c HA 0.708 5.276 4.570 -0.003 0.000 0.338 273 c C -0.173 173.974 174.090 0.096 0.000 1.257 273 c CA -0.463 55.889 56.329 0.037 0.000 1.883 273 c CB 0.391 42.888 42.510 -0.021 0.000 2.334 273 c HN 0.721 nan 8.230 nan 0.000 0.524 274 Q N 1.379 121.275 119.800 0.160 0.000 2.377 274 Q HA 0.587 4.925 4.340 -0.003 0.000 0.271 274 Q C -0.355 175.788 176.000 0.238 0.000 1.077 274 Q CA -0.382 55.527 55.803 0.178 0.000 0.820 274 Q CB 2.302 31.074 28.738 0.057 0.000 1.347 274 Q HN 0.868 nan 8.270 nan 0.000 0.444 275 A N 0.934 123.833 122.820 0.132 0.000 2.531 275 A HA 0.100 4.418 4.320 -0.003 0.000 0.236 275 A C 0.175 177.668 177.584 -0.151 0.000 1.062 275 A CA -0.213 51.699 52.037 -0.208 0.000 0.760 275 A CB -0.048 18.837 19.000 -0.193 0.000 0.995 275 A HN 0.838 nan 8.150 nan 0.000 0.501 276 c N 2.489 120.971 118.600 -0.197 0.000 2.597 276 c HA 0.215 4.783 4.570 -0.003 0.000 0.412 276 c C 1.479 175.519 174.090 -0.083 0.000 1.348 276 c CA -0.090 56.170 56.329 -0.115 0.000 1.769 276 c CB -0.915 41.574 42.510 -0.035 0.000 2.641 276 c HN 0.898 nan 8.230 nan 0.000 0.612 277 S N 5.428 121.046 115.700 -0.136 0.000 2.566 277 S HA 0.121 4.589 4.470 -0.003 0.000 0.280 277 S C -2.083 172.588 174.600 0.120 0.000 1.343 277 S CA -0.369 57.789 58.200 -0.069 0.000 1.036 277 S CB 0.008 63.063 63.200 -0.243 0.000 0.866 277 S HN 0.631 nan 8.310 nan 0.000 0.526 278 P HA 0.122 nan 4.420 nan 0.000 0.262 278 P C 0.789 178.238 177.300 0.248 0.000 1.182 278 P CA 0.837 64.016 63.100 0.132 0.000 0.761 278 P CB -0.001 31.744 31.700 0.076 0.000 0.795 279 G N 1.082 109.991 108.800 0.181 0.000 2.176 279 G HA2 -0.197 3.761 3.960 -0.003 0.000 0.232 279 G HA3 -0.197 3.761 3.960 -0.003 0.000 0.232 279 G C -0.317 174.534 174.900 -0.082 0.000 0.986 279 G CA -0.480 44.657 45.100 0.062 0.000 0.643 279 G HN 0.422 nan 8.290 nan 0.000 0.522 280 F N -0.414 119.576 119.950 0.067 0.000 2.640 280 F HA 0.871 5.396 4.527 -0.003 0.000 0.324 280 F C 0.094 176.012 175.800 0.198 0.000 1.077 280 F CA -1.093 56.966 58.000 0.099 0.000 0.965 280 F CB 1.707 40.710 39.000 0.006 0.000 1.351 280 F HN 0.279 nan 8.300 nan 0.000 0.487 281 F N -0.015 120.041 119.950 0.177 0.000 2.711 281 F HA 0.790 5.315 4.527 -0.003 0.000 0.313 281 F C -1.766 174.099 175.800 0.109 0.000 1.141 281 F CA -1.148 56.913 58.000 0.101 0.000 0.941 281 F CB 2.184 41.222 39.000 0.065 0.000 1.349 281 F HN 0.423 nan 8.300 nan 0.000 0.464 282 K N 1.716 122.154 120.400 0.065 0.000 2.575 282 K HA 0.339 4.657 4.320 -0.003 0.000 0.255 282 K C -1.757 174.984 176.600 0.235 0.000 0.953 282 K CA -0.554 55.728 56.287 -0.009 0.000 0.840 282 K CB 1.699 34.174 32.500 -0.041 0.000 1.303 282 K HN 0.747 nan 8.250 nan 0.000 0.438 283 F N 2.587 122.617 119.950 0.133 0.000 2.678 283 F HA 0.331 4.856 4.527 -0.003 0.000 0.291 283 F C -0.273 175.582 175.800 0.092 0.000 1.123 283 F CA 0.397 58.492 58.000 0.159 0.000 1.395 283 F CB 0.719 39.850 39.000 0.217 0.000 1.121 283 F HN 0.566 nan 8.300 nan 0.000 0.592 284 E N 0.079 120.330 120.200 0.084 0.000 2.320 284 E HA 0.594 4.942 4.350 -0.003 0.000 0.264 284 E C -0.791 175.816 176.600 0.012 0.000 0.923 284 E CA -0.957 55.446 56.400 0.004 0.000 0.796 284 E CB 1.110 30.869 29.700 0.099 0.000 1.262 284 E HN 0.049 nan 8.360 nan 0.000 0.428 285 A N 1.283 124.104 122.820 0.002 0.000 2.376 285 A HA 0.516 4.834 4.320 -0.003 0.000 0.298 285 A C -0.175 177.424 177.584 0.025 0.000 1.271 285 A CA -0.069 51.979 52.037 0.018 0.000 0.926 285 A CB -0.737 18.270 19.000 0.010 0.000 1.141 285 A HN 0.548 nan 8.150 nan 0.000 0.539 286 S N 1.238 116.955 115.700 0.027 0.000 2.685 286 S HA 0.501 4.969 4.470 -0.003 0.000 0.282 286 S C 0.140 174.751 174.600 0.019 0.000 1.159 286 S CA -0.202 58.013 58.200 0.024 0.000 0.833 286 S CB 1.139 64.355 63.200 0.028 0.000 1.151 286 S HN 0.695 nan 8.310 nan 0.000 0.485 287 E N 0.460 120.669 120.200 0.015 0.000 2.359 287 E HA 0.254 4.602 4.350 -0.003 0.000 0.187 287 E C -0.339 176.265 176.600 0.006 0.000 1.081 287 E CA -0.340 56.067 56.400 0.011 0.000 0.929 287 E CB 0.018 29.724 29.700 0.011 0.000 1.086 287 E HN 0.351 nan 8.360 nan 0.000 0.462 288 S N 2.156 117.857 115.700 0.003 0.000 2.617 288 S HA 0.421 4.889 4.470 -0.003 0.000 0.283 288 S C -2.250 172.340 174.600 -0.017 0.000 1.189 288 S CA -1.280 56.916 58.200 -0.007 0.000 1.036 288 S CB 1.287 64.481 63.200 -0.010 0.000 1.014 288 S HN 0.107 nan 8.310 nan 0.000 0.522 289 P HA 0.234 nan 4.420 nan 0.000 0.273 289 P C -0.729 176.539 177.300 -0.054 0.000 1.250 289 P CA -0.623 62.456 63.100 -0.036 0.000 0.793 289 P CB 0.209 31.891 31.700 -0.029 0.000 1.011 290 c N 0.870 119.434 118.600 -0.060 0.000 2.648 290 c HA 0.158 4.726 4.570 -0.003 0.000 0.419 290 c C 0.578 174.687 174.090 0.033 0.000 1.352 290 c CA -0.038 56.259 56.329 -0.053 0.000 1.816 290 c CB -1.586 40.916 42.510 -0.012 0.000 2.598 290 c HN 0.354 nan 8.230 nan 0.000 0.598 291 L N 3.537 124.630 121.223 -0.217 0.000 2.371 291 L HA 0.278 4.616 4.340 -0.003 0.000 0.272 291 L C 0.717 177.540 176.870 -0.077 0.000 1.124 291 L CA 0.402 55.118 54.840 -0.207 0.000 0.816 291 L CB 0.432 42.189 42.059 -0.502 0.000 1.129 291 L HN 0.760 nan 8.230 nan 0.000 0.448 292 E N 1.273 121.390 120.200 -0.138 0.000 2.392 292 E HA 0.152 4.500 4.350 -0.003 0.000 0.259 292 E C -0.632 175.917 176.600 -0.085 0.000 1.108 292 E CA -0.695 55.382 56.400 -0.539 0.000 0.916 292 E CB 0.429 29.698 29.700 -0.719 0.000 0.989 292 E HN 0.428 nan 8.360 nan 0.000 0.432 293 c N 4.433 122.962 118.600 -0.119 0.000 2.634 293 c HA 0.153 4.721 4.570 -0.003 0.000 0.418 293 c C -1.335 172.717 174.090 -0.062 0.000 1.373 293 c CA -0.928 55.395 56.329 -0.009 0.000 1.756 293 c CB -1.081 41.370 42.510 -0.098 0.000 2.589 293 c HN 0.759 nan 8.230 nan 0.000 0.602 294 P HA 0.109 nan 4.420 nan 0.000 0.285 294 P C -0.309 176.901 177.300 -0.151 0.000 1.282 294 P CA -0.048 63.005 63.100 -0.078 0.000 0.778 294 P CB 0.469 32.125 31.700 -0.073 0.000 1.222 295 E N -1.315 118.784 120.200 -0.169 0.000 2.373 295 E HA 0.063 4.411 4.350 -0.003 0.000 0.263 295 E C -0.170 176.233 176.600 -0.330 0.000 1.073 295 E CA -0.201 56.011 56.400 -0.314 0.000 0.894 295 E CB -0.162 29.327 29.700 -0.350 0.000 1.008 295 E HN 0.425 nan 8.360 nan 0.000 0.420 296 H N -0.575 118.267 119.070 -0.381 0.000 2.748 296 H HA -0.169 4.385 4.556 -0.003 0.000 0.322 296 H C -0.540 174.547 175.328 -0.403 0.000 1.208 296 H CA 1.061 56.737 56.048 -0.619 0.000 1.151 296 H CB -1.655 27.375 29.762 -1.221 0.000 1.505 296 H HN 0.341 nan 8.280 nan 0.000 0.429 297 T N 0.227 114.653 114.554 -0.213 0.000 2.896 297 T HA 0.620 4.968 4.350 -0.003 0.000 0.297 297 T C -0.001 174.623 174.700 -0.127 0.000 1.108 297 T CA -0.828 61.178 62.100 -0.157 0.000 1.004 297 T CB 1.633 70.400 68.868 -0.168 0.000 1.159 297 T HN 0.232 nan 8.240 nan 0.000 0.499 298 L N 4.212 125.375 121.223 -0.100 0.000 2.265 298 L HA 0.406 4.744 4.340 -0.003 0.000 0.288 298 L C -1.920 174.911 176.870 -0.065 0.000 1.058 298 L CA -2.067 52.729 54.840 -0.073 0.000 0.809 298 L CB 1.064 43.089 42.059 -0.056 0.000 1.179 298 L HN 0.514 nan 8.230 nan 0.000 0.429 299 P HA -0.089 nan 4.420 nan 0.000 0.259 299 P C -0.363 176.927 177.300 -0.018 0.000 1.155 299 P CA 0.257 63.334 63.100 -0.038 0.000 0.759 299 P CB 0.247 31.930 31.700 -0.028 0.000 0.753 300 S N 4.625 120.326 115.700 0.002 0.000 2.610 300 S HA 0.637 5.105 4.470 -0.003 0.000 0.273 300 S C -2.164 172.456 174.600 0.033 0.000 1.274 300 S CA -1.349 56.864 58.200 0.022 0.000 1.023 300 S CB 0.688 63.923 63.200 0.058 0.000 0.962 300 S HN 0.276 nan 8.310 nan 0.000 0.523 301 P HA 0.407 nan 4.420 nan 0.000 0.279 301 P C 0.017 177.323 177.300 0.010 0.000 1.276 301 P CA -0.321 62.787 63.100 0.013 0.000 0.801 301 P CB 0.026 31.727 31.700 0.001 0.000 1.127 302 E N -0.721 119.474 120.200 -0.009 0.000 2.467 302 E HA 0.306 4.654 4.350 -0.003 0.000 0.264 302 E C 1.234 177.777 176.600 -0.094 0.000 1.020 302 E CA 0.207 56.582 56.400 -0.042 0.000 0.945 302 E CB -1.435 28.236 29.700 -0.048 0.000 0.942 302 E HN 0.901 nan 8.360 nan 0.000 0.449 303 G N -0.206 108.491 108.800 -0.172 0.000 2.323 303 G HA2 0.183 4.141 3.960 -0.003 0.000 0.292 303 G HA3 0.183 4.141 3.960 -0.003 0.000 0.292 303 G C 0.466 175.264 174.900 -0.170 0.000 1.040 303 G CA 0.743 45.655 45.100 -0.314 0.000 0.942 303 G HN 1.930 nan 8.290 nan 0.000 0.506 304 A N -0.222 122.571 122.820 -0.045 0.000 2.331 304 A HA 0.788 5.106 4.320 -0.003 0.000 0.283 304 A C 1.462 179.119 177.584 0.122 0.000 1.142 304 A CA 0.817 52.880 52.037 0.043 0.000 0.812 304 A CB 0.627 19.680 19.000 0.088 0.000 1.074 304 A HN 1.406 nan 8.150 nan 0.000 0.497 305 T N -1.200 113.438 114.554 0.140 0.000 3.065 305 T HA 0.309 4.657 4.350 -0.003 0.000 0.252 305 T C 0.454 175.412 174.700 0.430 0.000 1.099 305 T CA 0.679 62.935 62.100 0.260 0.000 1.063 305 T CB -0.529 68.435 68.868 0.160 0.000 0.948 305 T HN 1.419 nan 8.240 nan 0.000 0.506 306 S N -0.505 115.317 115.700 0.203 0.000 2.558 306 S HA 0.497 4.965 4.470 -0.003 0.000 0.277 306 S C -0.819 173.684 174.600 -0.161 0.000 1.143 306 S CA -1.254 56.880 58.200 -0.109 0.000 0.865 306 S CB 0.410 63.553 63.200 -0.095 0.000 1.102 306 S HN 0.374 nan 8.310 nan 0.000 0.454 307 c N 1.877 120.265 118.600 -0.354 0.000 2.463 307 c HA 0.867 5.435 4.570 -0.003 0.000 0.380 307 c C 1.223 175.211 174.090 -0.171 0.000 1.264 307 c CA -0.158 56.047 56.329 -0.207 0.000 2.161 307 c CB -0.345 42.033 42.510 -0.220 0.000 2.515 307 c HN 1.113 nan 8.230 nan 0.000 0.565 308 E N 0.342 120.479 120.200 -0.104 0.000 2.373 308 E HA 0.305 4.653 4.350 -0.003 0.000 0.263 308 E C -0.136 176.409 176.600 -0.091 0.000 1.073 308 E CA -0.338 56.013 56.400 -0.082 0.000 0.894 308 E CB 0.398 30.067 29.700 -0.052 0.000 1.008 308 E HN 0.881 nan 8.360 nan 0.000 0.420 309 c N 2.327 120.878 118.600 -0.081 0.000 2.637 309 c HA 0.259 4.827 4.570 -0.003 0.000 0.418 309 c C 0.975 175.019 174.090 -0.077 0.000 1.319 309 c CA -0.254 56.024 56.329 -0.084 0.000 1.949 309 c CB -0.417 42.035 42.510 -0.097 0.000 2.639 309 c HN 0.919 nan 8.230 nan 0.000 0.594 310 E N 2.094 122.261 120.200 -0.054 0.000 2.415 310 E HA 0.280 4.628 4.350 -0.003 0.000 0.262 310 E C 0.420 177.042 176.600 0.035 0.000 1.038 310 E CA 0.080 56.478 56.400 -0.003 0.000 0.921 310 E CB 0.608 30.294 29.700 -0.023 0.000 0.950 310 E HN 0.812 nan 8.360 nan 0.000 0.438 311 E N 2.079 122.291 120.200 0.019 0.000 2.585 311 E HA 0.176 4.524 4.350 -0.003 0.000 0.252 311 E C 0.969 177.535 176.600 -0.057 0.000 0.981 311 E CA 0.427 56.803 56.400 -0.040 0.000 0.943 311 E CB -0.362 nan 29.700 nan 0.000 0.923 311 E HN 0.904 nan 8.360 nan 0.000 0.486 312 G N 1.289 109.913 108.800 -0.293 0.000 2.176 312 G HA2 -0.167 3.791 3.960 -0.003 0.000 0.253 312 G HA3 -0.167 3.791 3.960 -0.003 0.000 0.253 312 G C 0.023 174.378 174.900 -0.910 0.000 0.979 312 G CA 0.201 45.022 45.100 -0.465 0.000 0.641 312 G HN 0.731 nan 8.290 nan 0.000 0.530 313 F N -0.756 118.736 119.950 -0.764 0.000 2.579 313 F HA 0.875 5.400 4.527 -0.003 0.000 0.324 313 F C 0.230 175.461 175.800 -0.947 0.000 1.058 313 F CA -1.077 56.553 58.000 -0.616 0.000 0.944 313 F CB 1.598 40.424 39.000 -0.290 0.000 1.245 313 F HN -0.032 nan 8.300 nan 0.000 0.477 314 F N -0.227 119.794 119.950 0.120 0.000 2.754 314 F HA 0.719 5.244 4.527 -0.003 0.000 0.320 314 F C -0.641 175.174 175.800 0.024 0.000 1.156 314 F CA -1.202 56.820 58.000 0.037 0.000 0.950 314 F CB 1.864 40.857 39.000 -0.011 0.000 1.388 314 F HN 0.118 nan 8.300 nan 0.000 0.485 315 R N 0.384 121.010 120.500 0.211 0.000 2.651 315 R HA 0.790 5.128 4.340 -0.003 0.000 0.278 315 R C -1.195 175.145 176.300 0.067 0.000 1.010 315 R CA -1.134 55.021 56.100 0.092 0.000 0.896 315 R CB 2.359 32.673 30.300 0.023 0.000 1.211 315 R HN 0.798 nan 8.270 nan 0.000 0.456 316 A N 2.792 125.630 122.820 0.029 0.000 2.286 316 A HA 0.414 4.732 4.320 -0.003 0.000 0.286 316 A C -1.783 175.799 177.584 -0.003 0.000 1.097 316 A CA -1.328 50.713 52.037 0.006 0.000 0.821 316 A CB 0.128 19.125 19.000 -0.006 0.000 1.076 316 A HN 0.511 nan 8.150 nan 0.000 0.490 317 P HA -0.075 nan 4.420 nan 0.000 0.258 317 P C 0.230 177.527 177.300 -0.006 0.000 1.319 317 P CA 0.778 63.876 63.100 -0.003 0.000 0.785 317 P CB 0.249 31.949 31.700 0.000 0.000 1.252 318 Q N -2.049 117.744 119.800 -0.012 0.000 2.211 318 Q HA 0.124 4.462 4.340 -0.003 0.000 0.242 318 Q C -0.438 175.547 176.000 -0.026 0.000 0.825 318 Q CA -0.015 55.780 55.803 -0.013 0.000 0.951 318 Q CB -0.244 28.489 28.738 -0.007 0.000 1.130 318 Q HN 0.061 nan 8.270 nan 0.000 0.496 319 D N 5.404 125.784 120.400 -0.034 0.000 2.425 319 D HA 0.237 4.875 4.640 -0.003 0.000 0.247 319 D C -1.984 174.257 176.300 -0.099 0.000 1.147 319 D CA -0.918 53.052 54.000 -0.049 0.000 0.879 319 D CB 1.005 41.782 40.800 -0.037 0.000 1.179 319 D HN 0.188 nan 8.370 nan 0.000 0.456 320 P HA 0.155 nan 4.420 nan 0.000 0.276 320 P C 0.106 177.265 177.300 -0.236 0.000 1.244 320 P CA -0.507 62.481 63.100 -0.186 0.000 0.801 320 P CB 0.999 32.639 31.700 -0.101 0.000 1.006 321 A N 1.944 124.520 122.820 -0.406 0.000 2.024 321 A HA -0.174 4.144 4.320 -0.003 0.000 0.220 321 A C 2.099 179.510 177.584 -0.288 0.000 1.164 321 A CA 2.099 53.893 52.037 -0.404 0.000 0.643 321 A CB -1.561 17.154 19.000 -0.475 0.000 0.806 321 A HN 0.673 nan 8.150 nan 0.000 0.451 322 S N -1.196 114.502 115.700 -0.003 0.000 2.453 322 S HA 0.059 4.527 4.470 -0.003 0.000 0.231 322 S C 0.951 175.569 174.600 0.030 0.000 1.005 322 S CA 0.606 58.917 58.200 0.186 0.000 0.949 322 S CB -0.520 62.797 63.200 0.196 0.000 0.774 322 S HN 0.582 nan 8.310 nan 0.000 0.510 323 M N 3.894 123.467 119.600 -0.045 0.000 2.188 323 M HA 0.289 4.767 4.480 -0.003 0.000 0.354 323 M C -2.467 173.796 176.300 -0.061 0.000 1.342 323 M CA -2.369 52.910 55.300 -0.036 0.000 1.117 323 M CB 0.933 33.514 32.600 -0.033 0.000 1.670 323 M HN -0.024 nan 8.290 nan 0.000 0.466 324 P HA -0.003 nan 4.420 nan 0.000 0.268 324 P C -0.776 176.523 177.300 -0.002 0.000 1.208 324 P CA -0.250 62.827 63.100 -0.037 0.000 0.777 324 P CB 0.127 31.824 31.700 -0.005 0.000 0.875 325 c N 1.943 120.540 118.600 -0.004 0.000 2.662 325 c HA 0.351 4.919 4.570 -0.003 0.000 0.420 325 c C 1.458 175.648 174.090 0.166 0.000 1.314 325 c CA 0.318 56.684 56.329 0.062 0.000 1.963 325 c CB -0.781 41.754 42.510 0.042 0.000 2.686 325 c HN 0.687 nan 8.230 nan 0.000 0.609 326 T N 1.229 115.918 114.554 0.226 0.000 2.883 326 T HA 0.857 5.205 4.350 -0.003 0.000 0.284 326 T C -0.732 174.130 174.700 0.270 0.000 1.041 326 T CA -0.936 61.308 62.100 0.239 0.000 1.007 326 T CB 1.594 70.541 68.868 0.131 0.000 1.220 326 T HN 0.915 nan 8.240 nan 0.000 0.552 327 R N -1.346 119.234 120.500 0.132 0.000 2.781 327 R HA 0.692 5.030 4.340 -0.003 0.000 0.269 327 R C -3.392 172.904 176.300 -0.006 0.000 1.025 327 R CA -2.250 53.878 56.100 0.047 0.000 0.914 327 R CB 0.307 30.474 30.300 -0.221 0.000 1.236 327 R HN 0.314 nan 8.270 nan 0.000 0.465 328 P HA 0.113 nan 4.420 nan 0.000 0.268 328 P C -2.369 174.902 177.300 -0.049 0.000 1.208 328 P CA -0.779 62.284 63.100 -0.063 0.000 0.777 328 P CB 0.132 31.780 31.700 -0.086 0.000 0.875 329 P HA 0.097 nan 4.420 nan 0.000 0.279 329 P C -0.279 177.007 177.300 -0.024 0.000 1.276 329 P CA -0.287 62.799 63.100 -0.024 0.000 0.801 329 P CB 0.517 32.207 31.700 -0.016 0.000 1.127 330 S N -0.269 115.417 115.700 -0.023 0.000 2.633 330 S HA 0.507 4.975 4.470 -0.003 0.000 0.257 330 S C 0.518 175.116 174.600 -0.003 0.000 1.265 330 S CA -0.596 57.585 58.200 -0.032 0.000 0.980 330 S CB -0.471 62.693 63.200 -0.059 0.000 1.017 330 S HN 0.692 nan 8.310 nan 0.000 0.577 331 A N 0.919 123.730 122.820 -0.016 0.000 2.366 331 A HA 0.565 4.883 4.320 -0.003 0.000 0.249 331 A C -2.535 175.087 177.584 0.063 0.000 1.084 331 A CA -1.723 50.322 52.037 0.014 0.000 0.794 331 A CB -1.052 17.921 19.000 -0.046 0.000 1.034 331 A HN 0.646 nan 8.150 nan 0.000 0.491 332 P HA -0.046 nan 4.420 nan 0.000 0.261 332 P C 0.622 177.998 177.300 0.127 0.000 1.183 332 P CA 0.621 63.822 63.100 0.167 0.000 0.761 332 P CB 0.132 31.878 31.700 0.076 0.000 0.785 333 H N 3.201 122.251 119.070 -0.033 0.000 2.290 333 H HA -0.130 4.424 4.556 -0.003 0.000 0.298 333 H C -0.143 174.924 175.328 -0.435 0.000 1.087 333 H CA 1.138 57.016 56.048 -0.283 0.000 1.291 333 H CB 0.132 29.666 29.762 -0.380 0.000 1.369 333 H HN 0.395 nan 8.280 nan 0.000 0.492 334 Y N -0.486 119.850 120.300 0.059 0.000 2.524 334 Y HA 0.404 4.952 4.550 -0.003 0.000 0.344 334 Y C -0.919 175.040 175.900 0.099 0.000 1.012 334 Y CA -1.249 56.849 58.100 -0.004 0.000 1.068 334 Y CB 2.137 40.541 38.460 -0.093 0.000 1.249 334 Y HN 0.048 nan 8.280 nan 0.000 0.468 335 L N 2.432 123.806 121.223 0.251 0.000 2.436 335 L HA 0.738 5.076 4.340 -0.003 0.000 0.268 335 L C -0.673 176.296 176.870 0.166 0.000 0.974 335 L CA -0.267 54.710 54.840 0.229 0.000 0.826 335 L CB 2.160 44.321 42.059 0.170 0.000 1.291 335 L HN 0.736 nan 8.230 nan 0.000 0.406 336 T N 2.085 116.725 114.554 0.143 0.000 2.829 336 T HA 0.906 5.254 4.350 -0.003 0.000 0.280 336 T C -0.435 174.314 174.700 0.082 0.000 0.999 336 T CA -0.239 61.913 62.100 0.087 0.000 0.983 336 T CB 1.691 70.581 68.868 0.037 0.000 0.968 336 T HN 1.011 nan 8.240 nan 0.000 0.446 337 A N 3.075 125.938 122.820 0.073 0.000 2.323 337 A HA 0.702 5.020 4.320 -0.003 0.000 0.305 337 A C -0.580 177.029 177.584 0.041 0.000 1.275 337 A CA -0.712 51.357 52.037 0.053 0.000 0.804 337 A CB 0.738 19.813 19.000 0.125 0.000 1.152 337 A HN 0.873 nan 8.150 nan 0.000 0.487 338 V N 1.770 121.688 119.914 0.006 0.000 2.540 338 V HA 0.615 4.733 4.120 -0.003 0.000 0.302 338 V C 0.974 177.065 176.094 -0.004 0.000 1.035 338 V CA -0.065 62.239 62.300 0.006 0.000 0.873 338 V CB 2.062 33.881 31.823 -0.006 0.000 0.992 338 V HN 1.029 nan 8.190 nan 0.000 0.428 339 G N 3.150 111.958 108.800 0.014 0.000 3.741 339 G HA2 0.443 4.401 3.960 -0.003 0.000 0.263 339 G HA3 0.443 4.401 3.960 -0.003 0.000 0.263 339 G C 0.431 175.332 174.900 0.001 0.000 1.175 339 G CA 0.196 45.302 45.100 0.011 0.000 1.642 339 G HN 0.949 nan 8.290 nan 0.000 0.644 340 M N 1.001 120.595 119.600 -0.011 0.000 2.720 340 M HA 0.548 5.026 4.480 -0.003 0.000 0.328 340 M C 1.507 177.801 176.300 -0.009 0.000 1.682 340 M CA 0.522 55.815 55.300 -0.011 0.000 1.381 340 M CB -1.446 31.143 32.600 -0.019 0.000 1.868 340 M HN 1.924 nan 8.290 nan 0.000 0.459 341 G N 1.947 110.746 108.800 -0.001 0.000 2.554 341 G HA2 0.157 4.115 3.960 -0.003 0.000 0.253 341 G HA3 0.157 4.115 3.960 -0.003 0.000 0.253 341 G C 1.087 175.991 174.900 0.006 0.000 1.172 341 G CA 1.062 46.164 45.100 0.004 0.000 0.950 341 G HN 2.305 nan 8.290 nan 0.000 0.557 342 A N -0.054 122.768 122.820 0.003 0.000 2.115 342 A HA 0.516 4.834 4.320 -0.003 0.000 0.211 342 A C 1.206 178.774 177.584 -0.027 0.000 1.169 342 A CA 1.678 53.714 52.037 -0.001 0.000 0.787 342 A CB 0.030 19.036 19.000 0.009 0.000 0.858 342 A HN 0.570 nan 8.150 nan 0.000 0.474 343 K N 0.253 120.632 120.400 -0.036 0.000 2.118 343 K HA 0.463 4.780 4.320 -0.003 0.000 0.264 343 K C -0.519 176.037 176.600 -0.075 0.000 1.000 343 K CA -0.400 55.846 56.287 -0.068 0.000 0.929 343 K CB 1.794 34.257 32.500 -0.061 0.000 1.021 343 K HN 0.182 nan 8.250 nan 0.000 0.463 344 V N -0.786 119.056 119.914 -0.120 0.000 2.435 344 V HA 0.412 4.529 4.120 -0.003 0.000 0.290 344 V C -0.598 175.400 176.094 -0.159 0.000 1.030 344 V CA -0.802 61.421 62.300 -0.129 0.000 0.881 344 V CB 1.485 33.223 31.823 -0.141 0.000 0.983 344 V HN 0.691 nan 8.190 nan 0.000 0.445 345 E N 4.219 124.352 120.200 -0.112 0.000 2.134 345 E HA 0.582 4.930 4.350 -0.003 0.000 0.278 345 E C -1.087 175.459 176.600 -0.090 0.000 0.959 345 E CA -0.372 55.969 56.400 -0.098 0.000 0.783 345 E CB 1.248 30.906 29.700 -0.069 0.000 1.095 345 E HN 0.838 nan 8.360 nan 0.000 0.399 346 L N 5.416 126.596 121.223 -0.072 0.000 2.272 346 L HA 0.579 4.917 4.340 -0.003 0.000 0.289 346 L C 0.222 177.129 176.870 0.061 0.000 1.032 346 L CA -0.599 54.268 54.840 0.045 0.000 0.810 346 L CB 1.229 43.367 42.059 0.132 0.000 1.205 346 L HN 0.362 nan 8.230 nan 0.000 0.422 347 R N 2.937 123.468 120.500 0.051 0.000 2.534 347 R HA 0.564 4.901 4.340 -0.003 0.000 0.301 347 R C -1.248 175.100 176.300 0.079 0.000 0.961 347 R CA -0.648 55.389 56.100 -0.105 0.000 0.871 347 R CB 2.105 32.330 30.300 -0.124 0.000 1.170 347 R HN 0.664 nan 8.270 nan 0.000 0.446 348 W N 0.120 121.363 121.300 -0.096 0.000 3.335 348 W HA 0.729 5.386 4.660 -0.003 0.000 0.335 348 W C -1.091 175.386 176.519 -0.070 0.000 1.164 348 W CA -0.975 56.321 57.345 -0.081 0.000 1.010 348 W CB 0.821 30.198 29.460 -0.138 0.000 1.524 348 W HN 0.164 nan 8.180 nan 0.000 0.605 349 T N 1.783 116.512 114.554 0.292 0.000 2.912 349 T HA 0.452 4.800 4.350 -0.003 0.000 0.299 349 T C -2.720 172.159 174.700 0.297 0.000 1.052 349 T CA -1.368 60.861 62.100 0.215 0.000 0.996 349 T CB 1.636 70.678 68.868 0.290 0.000 1.070 349 T HN 0.096 nan 8.240 nan 0.000 0.465 350 P HA 0.251 nan 4.420 nan 0.000 0.271 350 P C -2.613 174.844 177.300 0.261 0.000 1.233 350 P CA -1.128 62.184 63.100 0.354 0.000 0.789 350 P CB -0.322 31.542 31.700 0.273 0.000 0.951 351 P HA 0.063 nan 4.420 nan 0.000 0.269 351 P C 0.893 178.209 177.300 0.027 0.000 1.215 351 P CA 0.148 63.313 63.100 0.108 0.000 0.780 351 P CB 0.326 32.075 31.700 0.081 0.000 0.898 352 Q N 0.384 120.121 119.800 -0.105 0.000 2.135 352 Q HA -0.167 4.171 4.340 -0.003 0.000 0.204 352 Q C 0.294 176.244 176.000 -0.083 0.000 0.981 352 Q CA 1.425 57.114 55.803 -0.190 0.000 0.856 352 Q CB -0.018 28.477 28.738 -0.406 0.000 0.902 352 Q HN 0.505 nan 8.270 nan 0.000 0.425 353 D N -1.240 119.126 120.400 -0.058 0.000 2.408 353 D HA 0.074 4.712 4.640 -0.003 0.000 0.243 353 D C 0.185 176.484 176.300 -0.001 0.000 1.075 353 D CA -0.248 53.739 54.000 -0.023 0.000 0.832 353 D CB 1.476 42.258 40.800 -0.030 0.000 1.162 353 D HN -0.016 nan 8.370 nan 0.000 0.515 354 S N 2.222 117.932 115.700 0.016 0.000 2.558 354 S HA 0.221 4.689 4.470 -0.003 0.000 0.217 354 S C 1.628 176.237 174.600 0.015 0.000 0.975 354 S CA 0.403 58.614 58.200 0.019 0.000 0.912 354 S CB -0.217 63.001 63.200 0.030 0.000 0.776 354 S HN 0.946 nan 8.310 nan 0.000 0.526 355 G N 1.088 109.900 108.800 0.020 0.000 2.225 355 G HA2 0.051 4.009 3.960 -0.003 0.000 0.267 355 G HA3 0.051 4.009 3.960 -0.003 0.000 0.267 355 G C 0.995 175.931 174.900 0.061 0.000 1.024 355 G CA 0.236 45.354 45.100 0.030 0.000 0.784 355 G HN 1.859 nan 8.290 nan 0.000 0.507 356 G N -1.726 107.112 108.800 0.064 0.000 2.198 356 G HA2 -0.240 3.718 3.960 -0.003 0.000 0.260 356 G HA3 -0.240 3.718 3.960 -0.003 0.000 0.260 356 G C 0.302 175.233 174.900 0.052 0.000 1.025 356 G CA 1.180 46.323 45.100 0.072 0.000 0.769 356 G HN 1.051 nan 8.290 nan 0.000 0.507 357 R N -1.136 119.386 120.500 0.036 0.000 2.888 357 R HA 0.596 4.934 4.340 -0.003 0.000 0.266 357 R C 0.287 176.596 176.300 0.015 0.000 1.020 357 R CA -0.760 55.353 56.100 0.022 0.000 0.963 357 R CB 1.222 31.529 30.300 0.011 0.000 1.197 357 R HN 0.271 nan 8.270 nan 0.000 0.481 358 E N 0.422 120.628 120.200 0.010 0.000 2.630 358 E HA -0.004 4.344 4.350 -0.003 0.000 0.218 358 E C -0.655 175.944 176.600 -0.002 0.000 0.977 358 E CA 0.085 56.492 56.400 0.010 0.000 1.038 358 E CB 0.627 30.337 29.700 0.016 0.000 1.051 358 E HN 0.487 nan 8.360 nan 0.000 0.487 359 D N 1.158 121.549 120.400 -0.015 0.000 3.058 359 D HA 0.098 4.736 4.640 -0.003 0.000 0.272 359 D C 0.087 176.348 176.300 -0.064 0.000 1.350 359 D CA -0.343 53.640 54.000 -0.029 0.000 0.863 359 D CB -0.377 40.408 40.800 -0.024 0.000 1.064 359 D HN 0.090 nan 8.370 nan 0.000 0.488 360 I N 1.134 121.653 120.570 -0.085 0.000 2.452 360 I HA 0.090 4.258 4.170 -0.003 0.000 0.287 360 I C 0.551 176.490 176.117 -0.296 0.000 1.079 360 I CA -0.616 60.572 61.300 -0.188 0.000 1.387 360 I CB 1.122 39.013 38.000 -0.181 0.000 1.404 360 I HN 0.034 nan 8.210 nan 0.000 0.522 361 V N 4.395 124.104 119.914 -0.342 0.000 2.919 361 V HA 0.569 4.687 4.120 -0.003 0.000 0.316 361 V C -1.073 174.736 176.094 -0.474 0.000 1.077 361 V CA -0.850 61.257 62.300 -0.322 0.000 0.977 361 V CB 1.725 33.487 31.823 -0.102 0.000 1.039 361 V HN 0.479 nan 8.190 nan 0.000 0.441 362 Y N 1.305 121.661 120.300 0.093 0.000 2.468 362 Y HA 0.791 5.339 4.550 -0.003 0.000 0.342 362 Y C 0.550 176.448 175.900 -0.003 0.000 1.021 362 Y CA -0.413 57.704 58.100 0.029 0.000 1.079 362 Y CB 2.308 40.826 38.460 0.096 0.000 1.226 362 Y HN 0.930 nan 8.280 nan 0.000 0.460 363 S N 0.669 116.419 115.700 0.084 0.000 2.547 363 S HA 0.826 5.294 4.470 -0.003 0.000 0.281 363 S C -1.498 173.060 174.600 -0.070 0.000 1.118 363 S CA -0.803 57.427 58.200 0.050 0.000 0.947 363 S CB 1.345 64.662 63.200 0.194 0.000 1.053 363 S HN 0.376 nan 8.310 nan 0.000 0.482 364 V N 2.722 122.532 119.914 -0.173 0.000 2.513 364 V HA 0.818 4.935 4.120 -0.003 0.000 0.299 364 V C 0.351 176.378 176.094 -0.111 0.000 1.035 364 V CA -0.398 61.803 62.300 -0.165 0.000 0.889 364 V CB 1.383 33.100 31.823 -0.177 0.000 0.988 364 V HN 1.177 nan 8.190 nan 0.000 0.440 365 T N 0.259 114.831 114.554 0.030 0.000 2.887 365 T HA 0.719 5.067 4.350 -0.003 0.000 0.292 365 T C -0.776 174.013 174.700 0.148 0.000 1.087 365 T CA -0.809 61.336 62.100 0.076 0.000 1.009 365 T CB 1.897 70.773 68.868 0.014 0.000 1.203 365 T HN 0.885 nan 8.240 nan 0.000 0.518 366 c N 0.962 119.616 118.600 0.091 0.000 2.782 366 c HA 0.730 5.298 4.570 -0.003 0.000 0.328 366 c C -1.422 172.627 174.090 -0.068 0.000 1.145 366 c CA -0.281 56.028 56.329 -0.034 0.000 1.358 366 c CB 0.532 43.058 42.510 0.026 0.000 1.841 366 c HN 1.057 nan 8.230 nan 0.000 0.477 367 E N 3.189 123.303 120.200 -0.143 0.000 2.238 367 E HA 0.472 4.820 4.350 -0.003 0.000 0.267 367 E C -1.110 175.381 176.600 -0.181 0.000 0.887 367 E CA -0.433 55.898 56.400 -0.115 0.000 0.769 367 E CB 1.970 31.616 29.700 -0.090 0.000 1.187 367 E HN 0.681 nan 8.360 nan 0.000 0.416 368 Q N 1.020 120.704 119.800 -0.192 0.000 2.235 368 Q HA 0.601 4.939 4.340 -0.003 0.000 0.256 368 Q C -1.140 174.709 176.000 -0.252 0.000 0.951 368 Q CA -0.655 54.932 55.803 -0.360 0.000 0.890 368 Q CB 1.850 30.369 28.738 -0.364 0.000 1.279 368 Q HN 0.440 nan 8.270 nan 0.000 0.444 369 c N 1.847 120.266 118.600 -0.302 0.000 2.716 369 c HA 0.299 4.867 4.570 -0.003 0.000 0.366 369 c C -1.355 172.661 174.090 -0.124 0.000 1.073 369 c CA -0.914 55.328 56.329 -0.145 0.000 1.260 369 c CB 0.808 43.254 42.510 -0.108 0.000 1.755 369 c HN 0.808 nan 8.230 nan 0.000 0.475 370 W N 5.728 126.922 121.300 -0.178 0.000 2.342 370 W HA 0.397 5.055 4.660 -0.003 0.000 0.310 370 W C -2.451 173.986 176.519 -0.137 0.000 1.128 370 W CA -2.204 55.039 57.345 -0.170 0.000 1.322 370 W CB 0.938 30.335 29.460 -0.105 0.000 1.251 370 W HN 0.512 nan 8.180 nan 0.000 0.439 374 G N 0.783 109.592 108.800 0.014 0.000 2.299 374 G HA2 -0.136 3.822 3.960 -0.003 0.000 0.237 374 G HA3 -0.136 3.822 3.960 -0.003 0.000 0.237 374 G C 0.290 175.202 174.900 0.019 0.000 1.027 374 G CA 1.212 46.320 45.100 0.014 0.000 0.619 374 G HN 1.522 nan 8.290 nan 0.000 0.513 375 E N 0.059 120.275 120.200 0.026 0.000 2.415 375 E HA 0.499 4.847 4.350 -0.003 0.000 0.262 375 E C 0.373 176.996 176.600 0.038 0.000 1.038 375 E CA 0.659 57.076 56.400 0.029 0.000 0.921 375 E CB 0.724 30.442 29.700 0.030 0.000 0.950 375 E HN 1.217 nan 8.360 nan 0.000 0.438 376 c N 0.286 118.894 118.600 0.014 0.000 3.080 376 c HA 1.071 5.639 4.570 -0.003 0.000 0.307 376 c C 0.747 174.831 174.090 -0.011 0.000 1.311 376 c CA 0.135 56.458 56.329 -0.010 0.000 1.533 376 c CB 1.870 44.366 42.510 -0.024 0.000 1.970 376 c HN 1.316 nan 8.230 nan 0.000 0.467 377 G N 1.017 109.800 108.800 -0.029 0.000 2.451 377 G HA2 0.630 4.588 3.960 -0.003 0.000 0.292 377 G HA3 0.630 4.588 3.960 -0.003 0.000 0.292 377 G C -3.414 171.467 174.900 -0.031 0.000 1.427 377 G CA -0.554 44.535 45.100 -0.020 0.000 0.792 377 G HN 0.506 nan 8.290 nan 0.000 0.498 378 P HA 0.287 nan 4.420 nan 0.000 0.271 378 P C 0.378 177.680 177.300 0.003 0.000 1.233 378 P CA -0.273 62.822 63.100 -0.007 0.000 0.789 378 P CB 0.824 32.528 31.700 0.007 0.000 0.951 379 c N 1.272 119.887 118.600 0.025 0.000 2.679 379 c HA 0.048 4.616 4.570 -0.003 0.000 0.417 379 c C 1.262 175.393 174.090 0.068 0.000 1.302 379 c CA -0.006 56.362 56.329 0.064 0.000 1.973 379 c CB -1.248 41.323 42.510 0.102 0.000 2.715 379 c HN 0.520 nan 8.230 nan 0.000 0.628 380 E N 1.685 121.930 120.200 0.075 0.000 2.408 380 E HA 0.191 4.539 4.350 -0.003 0.000 0.259 380 E C 0.636 177.275 176.600 0.065 0.000 1.110 380 E CA 0.171 56.607 56.400 0.061 0.000 0.929 380 E CB 0.631 30.364 29.700 0.055 0.000 0.971 380 E HN 0.815 nan 8.360 nan 0.000 0.438 381 A N 1.358 124.212 122.820 0.057 0.000 2.235 381 A HA -0.086 4.232 4.320 -0.003 0.000 0.208 381 A C 1.794 179.407 177.584 0.048 0.000 1.172 381 A CA 0.970 53.043 52.037 0.059 0.000 0.786 381 A CB -0.282 18.750 19.000 0.052 0.000 0.804 381 A HN 0.486 nan 8.150 nan 0.000 0.479 382 S N -0.268 115.454 115.700 0.038 0.000 2.558 382 S HA 0.138 4.606 4.470 -0.003 0.000 0.217 382 S C 0.659 175.256 174.600 -0.005 0.000 0.975 382 S CA 0.325 58.538 58.200 0.023 0.000 0.912 382 S CB -1.104 62.111 63.200 0.026 0.000 0.776 382 S HN 0.854 nan 8.310 nan 0.000 0.526 383 V N 0.021 119.926 119.914 -0.015 0.000 2.488 383 V HA 0.834 4.952 4.120 -0.003 0.000 0.277 383 V C 0.196 176.216 176.094 -0.124 0.000 1.046 383 V CA -0.531 61.706 62.300 -0.104 0.000 0.986 383 V CB -0.157 31.585 31.823 -0.135 0.000 0.989 383 V HN 0.648 nan 8.190 nan 0.000 0.475 384 R N 3.114 123.503 120.500 -0.184 0.000 2.758 384 R HA 0.825 5.163 4.340 -0.003 0.000 0.265 384 R C -1.221 174.898 176.300 -0.302 0.000 1.016 384 R CA -0.693 55.335 56.100 -0.119 0.000 1.040 384 R CB 1.118 31.394 30.300 -0.039 0.000 1.152 384 R HN 0.896 nan 8.270 nan 0.000 0.503 385 Y N -0.465 119.828 120.300 -0.011 0.000 2.499 385 Y HA 0.290 4.838 4.550 -0.003 0.000 0.347 385 Y C 1.519 177.409 175.900 -0.017 0.000 0.987 385 Y CA -0.129 57.959 58.100 -0.020 0.000 1.044 385 Y CB 3.038 41.485 38.460 -0.021 0.000 1.245 385 Y HN 0.737 nan 8.280 nan 0.000 0.461 386 S N -0.302 115.474 115.700 0.127 0.000 2.595 386 S HA 0.043 4.511 4.470 -0.003 0.000 0.235 386 S C 0.105 174.747 174.600 0.069 0.000 0.974 386 S CA 0.729 58.968 58.200 0.065 0.000 0.942 386 S CB -0.246 62.972 63.200 0.029 0.000 0.766 386 S HN 0.723 nan 8.310 nan 0.000 0.536 387 E N 0.428 120.689 120.200 0.101 0.000 2.537 387 E HA 0.308 4.656 4.350 -0.003 0.000 0.301 387 E C -3.191 173.438 176.600 0.047 0.000 0.990 387 E CA -1.523 54.916 56.400 0.066 0.000 0.828 387 E CB 1.098 30.834 29.700 0.060 0.000 1.243 387 E HN -0.104 nan 8.360 nan 0.000 0.414 388 P HA -0.036 nan 4.420 nan 0.000 0.255 388 P C -2.113 175.097 177.300 -0.151 0.000 1.161 388 P CA -0.587 62.492 63.100 -0.036 0.000 0.768 388 P CB 0.073 31.776 31.700 0.006 0.000 0.746 389 P HA -0.106 nan 4.420 nan 0.000 0.239 389 P C 0.049 176.983 177.300 -0.611 0.000 1.184 389 P CA 1.301 63.997 63.100 -0.674 0.000 0.760 389 P CB 0.140 31.079 31.700 -1.268 0.000 0.884 390 H N -1.683 117.333 119.070 -0.091 0.000 2.797 390 H HA 0.419 4.973 4.556 -0.003 0.000 0.362 390 H C 1.263 176.588 175.328 -0.005 0.000 1.183 390 H CA -0.201 55.818 56.048 -0.048 0.000 1.197 390 H CB 0.950 30.679 29.762 -0.054 0.000 1.835 390 H HN -0.025 nan 8.280 nan 0.000 0.567 391 G N 0.856 109.738 108.800 0.137 0.000 2.283 391 G HA2 -0.268 3.690 3.960 -0.003 0.000 0.280 391 G HA3 -0.268 3.690 3.960 -0.003 0.000 0.280 391 G C -0.286 174.673 174.900 0.099 0.000 1.029 391 G CA -0.057 45.092 45.100 0.082 0.000 0.840 391 G HN 0.273 nan 8.290 nan 0.000 0.505 392 L N 0.791 122.108 121.223 0.158 0.000 2.367 392 L HA 0.538 4.876 4.340 -0.003 0.000 0.275 392 L C 1.897 178.952 176.870 0.309 0.000 1.129 392 L CA 1.254 56.246 54.840 0.254 0.000 0.839 392 L CB 1.375 43.672 42.059 0.396 0.000 1.133 392 L HN 0.424 nan 8.230 nan 0.000 0.453 393 T N 0.243 114.946 114.554 0.248 0.000 3.000 393 T HA 0.204 4.552 4.350 -0.003 0.000 0.248 393 T C 1.146 176.013 174.700 0.278 0.000 1.034 393 T CA -0.289 61.955 62.100 0.239 0.000 1.060 393 T CB 0.080 69.017 68.868 0.116 0.000 0.983 393 T HN 0.329 nan 8.240 nan 0.000 0.482 394 R N 2.201 122.806 120.500 0.176 0.000 2.784 394 R HA 0.223 4.561 4.340 -0.003 0.000 0.266 394 R C 0.623 176.849 176.300 -0.122 0.000 1.044 394 R CA 0.993 57.105 56.100 0.020 0.000 1.151 394 R CB 0.326 30.603 30.300 -0.038 0.000 1.037 394 R HN 0.489 nan 8.270 nan 0.000 0.478 395 T N -2.016 112.227 114.554 -0.519 0.000 3.275 395 T HA 0.219 4.567 4.350 -0.003 0.000 0.265 395 T C -0.372 173.133 174.700 -1.991 0.000 0.978 395 T CA -0.451 60.825 62.100 -1.373 0.000 0.923 395 T CB -0.211 68.145 68.868 -0.854 0.000 1.126 395 T HN 0.516 nan 8.240 nan 0.000 0.538 396 S N -0.081 114.677 115.700 -1.570 0.000 2.558 396 S HA 0.680 5.148 4.470 -0.003 0.000 0.277 396 S C -1.116 173.252 174.600 -0.387 0.000 1.143 396 S CA -0.598 57.003 58.200 -0.998 0.000 0.865 396 S CB 1.386 64.274 63.200 -0.519 0.000 1.102 396 S HN 0.974 nan 8.310 nan 0.000 0.454 397 V N -1.080 118.795 119.914 -0.066 0.000 3.147 397 V HA 0.841 4.959 4.120 -0.003 0.000 0.306 397 V C -0.405 175.701 176.094 0.020 0.000 1.209 397 V CA -0.799 61.539 62.300 0.064 0.000 1.023 397 V CB 1.388 33.349 31.823 0.231 0.000 1.059 397 V HN 0.962 nan 8.190 nan 0.000 0.435 398 T N 2.190 116.748 114.554 0.006 0.000 2.795 398 T HA 0.664 5.012 4.350 -0.003 0.000 0.282 398 T C -0.329 174.314 174.700 -0.095 0.000 0.980 398 T CA -0.313 61.753 62.100 -0.055 0.000 1.012 398 T CB 1.384 70.222 68.868 -0.049 0.000 0.936 398 T HN 0.718 nan 8.240 nan 0.000 0.457 399 V N 3.901 123.690 119.914 -0.209 0.000 2.417 399 V HA 0.664 4.782 4.120 -0.003 0.000 0.291 399 V C 0.248 176.188 176.094 -0.256 0.000 1.024 399 V CA -0.775 61.314 62.300 -0.351 0.000 0.861 399 V CB 1.322 32.851 31.823 -0.490 0.000 0.985 399 V HN 1.071 nan 8.190 nan 0.000 0.436 400 S N 2.001 117.555 115.700 -0.243 0.000 2.745 400 S HA 0.690 5.158 4.470 -0.003 0.000 0.306 400 S C -0.393 174.112 174.600 -0.158 0.000 1.137 400 S CA -0.646 57.458 58.200 -0.160 0.000 0.900 400 S CB 1.569 64.711 63.200 -0.097 0.000 1.176 400 S HN 0.784 nan 8.310 nan 0.000 0.520 401 D N 0.142 120.484 120.400 -0.097 0.000 3.082 401 D HA -0.130 4.508 4.640 -0.003 0.000 0.234 401 D C -1.200 175.041 176.300 -0.097 0.000 1.159 401 D CA 0.557 54.516 54.000 -0.068 0.000 0.875 401 D CB -1.366 39.407 40.800 -0.046 0.000 0.946 401 D HN 0.584 nan 8.370 nan 0.000 0.411 402 L N 1.323 122.484 121.223 -0.103 0.000 2.365 402 L HA 0.411 4.749 4.340 -0.003 0.000 0.273 402 L C 0.871 177.757 176.870 0.027 0.000 1.000 402 L CA -0.927 53.832 54.840 -0.136 0.000 0.819 402 L CB 1.884 43.736 42.059 -0.344 0.000 1.284 402 L HN 0.077 nan 8.230 nan 0.000 0.418 403 E N 3.717 124.006 120.200 0.149 0.000 2.344 403 E HA 0.217 4.565 4.350 -0.003 0.000 0.270 403 E C -2.304 174.336 176.600 0.066 0.000 1.021 403 E CA -1.602 54.835 56.400 0.062 0.000 0.887 403 E CB 1.126 30.792 29.700 -0.057 0.000 0.997 403 E HN 0.254 nan 8.360 nan 0.000 0.429 404 P HA -0.034 nan 4.420 nan 0.000 0.269 404 P C -0.006 177.335 177.300 0.068 0.000 1.215 404 P CA 0.487 63.625 63.100 0.064 0.000 0.780 404 P CB 0.423 32.161 31.700 0.064 0.000 0.898 405 H N -0.658 118.400 119.070 -0.019 0.000 4.723 405 H HA -0.256 4.298 4.556 -0.003 0.000 0.103 405 H C 0.337 175.594 175.328 -0.117 0.000 0.619 405 H CA 0.741 56.771 56.048 -0.030 0.000 1.203 405 H CB -0.786 28.986 29.762 0.016 0.000 0.604 405 H HN 0.369 nan 8.280 nan 0.000 0.623 406 M N 3.018 122.412 119.600 -0.344 0.000 2.260 406 M HA 0.036 4.514 4.480 -0.003 0.000 0.348 406 M C 0.281 176.312 176.300 -0.447 0.000 1.342 406 M CA 0.551 55.490 55.300 -0.601 0.000 1.040 406 M CB 0.210 32.323 32.600 -0.812 0.000 1.810 406 M HN 0.350 nan 8.290 nan 0.000 0.453 407 N N 4.341 122.780 118.700 -0.435 0.000 2.415 407 N HA 0.130 4.868 4.740 -0.003 0.000 0.250 407 N C -2.042 173.270 175.510 -0.331 0.000 1.127 407 N CA 0.062 52.958 53.050 -0.256 0.000 0.945 407 N CB -0.128 38.256 38.487 -0.171 0.000 1.196 407 N HN 0.531 nan 8.380 nan 0.000 0.499 408 Y N 1.701 121.906 120.300 -0.159 0.000 2.327 408 Y HA 0.273 4.821 4.550 -0.003 0.000 0.336 408 Y C 0.670 176.380 175.900 -0.316 0.000 1.035 408 Y CA -0.491 57.426 58.100 -0.306 0.000 1.165 408 Y CB 1.335 39.570 38.460 -0.376 0.000 1.181 408 Y HN 0.269 nan 8.280 nan 0.000 0.494 409 T N 5.394 119.809 114.554 -0.231 0.000 2.758 409 T HA 0.455 4.803 4.350 -0.003 0.000 0.285 409 T C -0.854 173.694 174.700 -0.253 0.000 0.981 409 T CA -0.558 61.462 62.100 -0.133 0.000 0.965 409 T CB -0.034 68.807 68.868 -0.045 0.000 0.927 409 T HN 0.233 nan 8.240 nan 0.000 0.448 410 F N 2.249 122.260 119.950 0.101 0.000 2.436 410 F HA 0.505 5.029 4.527 -0.003 0.000 0.340 410 F C 1.075 176.913 175.800 0.064 0.000 1.113 410 F CA -0.926 57.127 58.000 0.089 0.000 1.022 410 F CB 1.686 40.743 39.000 0.095 0.000 1.128 410 F HN 0.409 nan 8.300 nan 0.000 0.466 411 T N 1.499 116.174 114.554 0.203 0.000 2.779 411 T HA 0.614 4.962 4.350 -0.003 0.000 0.280 411 T C -1.211 173.513 174.700 0.040 0.000 0.987 411 T CA -0.773 61.407 62.100 0.134 0.000 0.966 411 T CB 1.337 70.239 68.868 0.056 0.000 0.933 411 T HN 0.519 nan 8.240 nan 0.000 0.442 412 V N 3.883 123.785 119.914 -0.020 0.000 2.384 412 V HA 0.558 4.676 4.120 -0.003 0.000 0.287 412 V C -0.214 175.822 176.094 -0.097 0.000 1.020 412 V CA -0.643 61.517 62.300 -0.233 0.000 0.850 412 V CB 1.085 32.502 31.823 -0.676 0.000 0.987 412 V HN 1.079 nan 8.190 nan 0.000 0.436 413 E N 5.223 125.390 120.200 -0.054 0.000 2.191 413 E HA 0.749 5.097 4.350 -0.003 0.000 0.274 413 E C -0.679 175.965 176.600 0.073 0.000 0.948 413 E CA -0.728 55.703 56.400 0.053 0.000 0.802 413 E CB 1.936 31.641 29.700 0.009 0.000 1.137 413 E HN 0.882 nan 8.360 nan 0.000 0.397 414 A N 4.734 127.607 122.820 0.088 0.000 2.288 414 A HA 0.609 4.927 4.320 -0.003 0.000 0.320 414 A C -0.713 176.841 177.584 -0.050 0.000 1.217 414 A CA -0.614 51.437 52.037 0.022 0.000 0.840 414 A CB 0.658 19.717 19.000 0.098 0.000 1.179 414 A HN 0.677 nan 8.150 nan 0.000 0.504 415 R N 2.006 122.429 120.500 -0.128 0.000 2.574 415 R HA 0.401 4.739 4.340 -0.003 0.000 0.288 415 R C -0.847 175.377 176.300 -0.127 0.000 1.004 415 R CA -0.820 55.216 56.100 -0.106 0.000 0.895 415 R CB 1.914 32.161 30.300 -0.090 0.000 1.191 415 R HN 0.925 nan 8.270 nan 0.000 0.444 416 N N 0.081 118.724 118.700 -0.096 0.000 2.813 416 N HA 0.255 4.993 4.740 -0.003 0.000 0.320 416 N C 1.032 176.500 175.510 -0.071 0.000 1.315 416 N CA -0.611 52.390 53.050 -0.081 0.000 0.871 416 N CB -0.053 38.399 38.487 -0.058 0.000 1.241 416 N HN 0.447 nan 8.380 nan 0.000 0.602 417 G N -1.190 107.578 108.800 -0.052 0.000 2.470 417 G HA2 -0.163 3.795 3.960 -0.003 0.000 0.220 417 G HA3 -0.163 3.795 3.960 -0.003 0.000 0.220 417 G C 0.949 175.813 174.900 -0.060 0.000 1.121 417 G CA 1.344 46.416 45.100 -0.048 0.000 0.766 417 G HN 0.646 nan 8.290 nan 0.000 0.553 418 V N -2.430 117.444 119.914 -0.067 0.000 3.596 418 V HA 0.248 4.366 4.120 -0.003 0.000 0.289 418 V C 2.157 178.128 176.094 -0.204 0.000 1.336 418 V CA 0.984 63.217 62.300 -0.112 0.000 1.137 418 V CB 0.241 32.037 31.823 -0.044 0.000 0.966 418 V HN 0.116 nan 8.190 nan 0.000 0.428 419 S N 2.255 117.863 115.700 -0.154 0.000 2.382 419 S HA -0.047 4.421 4.470 -0.003 0.000 0.228 419 S C 1.975 176.466 174.600 -0.181 0.000 1.027 419 S CA 1.722 59.825 58.200 -0.161 0.000 0.991 419 S CB -0.594 62.537 63.200 -0.113 0.000 0.823 419 S HN 0.815 nan 8.310 nan 0.000 0.469 420 G N 0.580 109.283 108.800 -0.161 0.000 2.625 420 G HA2 -0.029 3.929 3.960 -0.003 0.000 0.214 420 G HA3 -0.029 3.929 3.960 -0.003 0.000 0.214 420 G C 0.956 175.744 174.900 -0.187 0.000 1.132 420 G CA 0.327 45.338 45.100 -0.147 0.000 0.782 420 G HN 0.471 nan 8.290 nan 0.000 0.538 421 L N -0.175 120.873 121.223 -0.293 0.000 2.640 421 L HA 0.403 4.741 4.340 -0.003 0.000 0.230 421 L C 0.156 176.714 176.870 -0.520 0.000 1.123 421 L CA -0.151 54.444 54.840 -0.408 0.000 0.900 421 L CB 0.926 42.654 42.059 -0.552 0.000 1.146 421 L HN 0.020 nan 8.230 nan 0.000 0.484 422 V N -1.129 118.555 119.914 -0.384 0.000 2.962 422 V HA 0.215 4.333 4.120 -0.003 0.000 0.313 422 V C 1.173 177.177 176.094 -0.151 0.000 1.099 422 V CA 0.048 62.189 62.300 -0.265 0.000 0.971 422 V CB 2.339 34.007 31.823 -0.259 0.000 1.028 422 V HN 0.316 nan 8.190 nan 0.000 0.430 423 T N 0.415 114.912 114.554 -0.095 0.000 2.978 423 T HA 0.031 4.379 4.350 -0.003 0.000 0.262 423 T C 1.227 175.900 174.700 -0.046 0.000 1.063 423 T CA 1.107 63.168 62.100 -0.064 0.000 1.140 423 T CB -0.084 68.759 68.868 -0.042 0.000 0.886 423 T HN 0.631 nan 8.240 nan 0.000 0.470 424 S N 1.259 116.936 115.700 -0.040 0.000 2.576 424 S HA 0.302 4.769 4.470 -0.003 0.000 0.272 424 S C -0.148 174.455 174.600 0.006 0.000 1.352 424 S CA -0.507 57.687 58.200 -0.010 0.000 1.021 424 S CB 0.070 63.261 63.200 -0.015 0.000 0.887 424 S HN 0.379 nan 8.310 nan 0.000 0.542 425 R N 1.922 122.466 120.500 0.073 0.000 2.686 425 R HA 0.436 4.774 4.340 -0.003 0.000 0.283 425 R C -1.320 175.118 176.300 0.229 0.000 0.978 425 R CA -0.607 55.580 56.100 0.144 0.000 0.897 425 R CB 1.730 32.136 30.300 0.176 0.000 1.192 425 R HN 0.551 nan 8.270 nan 0.000 0.457 426 S N 3.343 119.165 115.700 0.203 0.000 2.594 426 S HA 0.609 5.077 4.470 -0.003 0.000 0.322 426 S C -0.806 173.930 174.600 0.227 0.000 1.085 426 S CA -0.720 57.557 58.200 0.127 0.000 1.116 426 S CB 0.134 63.355 63.200 0.035 0.000 0.979 426 S HN 0.476 nan 8.310 nan 0.000 0.465 427 F N 0.480 120.416 119.950 -0.025 0.000 2.643 427 F HA 0.793 5.318 4.527 -0.003 0.000 0.314 427 F C -0.688 175.100 175.800 -0.020 0.000 1.096 427 F CA -1.511 56.471 58.000 -0.031 0.000 0.953 427 F CB 1.356 40.335 39.000 -0.034 0.000 1.345 427 F HN 0.268 nan 8.300 nan 0.000 0.468 428 R N 0.505 121.068 120.500 0.104 0.000 2.750 428 R HA 0.704 5.042 4.340 -0.003 0.000 0.281 428 R C -1.248 175.141 176.300 0.149 0.000 0.972 428 R CA -0.604 55.519 56.100 0.039 0.000 0.912 428 R CB 2.305 32.619 30.300 0.024 0.000 1.187 428 R HN 0.994 nan 8.270 nan 0.000 0.464 429 T N -0.201 114.432 114.554 0.130 0.000 2.918 429 T HA 0.874 5.222 4.350 -0.003 0.000 0.286 429 T C -0.679 174.104 174.700 0.139 0.000 1.026 429 T CA -0.868 61.331 62.100 0.165 0.000 1.031 429 T CB 1.978 70.948 68.868 0.171 0.000 1.046 429 T HN 0.603 nan 8.240 nan 0.000 0.479 430 A N 1.287 124.213 122.820 0.177 0.000 2.540 430 A HA 0.699 5.017 4.320 -0.003 0.000 0.297 430 A C -0.492 177.228 177.584 0.228 0.000 1.056 430 A CA -0.873 51.269 52.037 0.176 0.000 0.700 430 A CB 1.562 20.664 19.000 0.170 0.000 1.280 430 A HN 0.767 nan 8.150 nan 0.000 0.398 431 S N 0.245 116.047 115.700 0.171 0.000 2.472 431 S HA 0.767 5.235 4.470 -0.003 0.000 0.303 431 S C -0.503 174.204 174.600 0.179 0.000 1.099 431 S CA -0.495 57.802 58.200 0.162 0.000 1.077 431 S CB 1.515 64.766 63.200 0.085 0.000 1.031 431 S HN 0.939 nan 8.310 nan 0.000 0.487 432 V N 1.895 121.946 119.914 0.228 0.000 2.841 432 V HA 0.581 4.699 4.120 -0.003 0.000 0.310 432 V C -0.357 175.861 176.094 0.207 0.000 1.090 432 V CA -0.769 61.658 62.300 0.212 0.000 0.930 432 V CB 2.226 34.202 31.823 0.255 0.000 1.014 432 V HN 0.794 nan 8.190 nan 0.000 0.425 433 S N 3.171 118.956 115.700 0.142 0.000 2.501 433 S HA 0.792 5.260 4.470 -0.003 0.000 0.301 433 S C -0.696 173.980 174.600 0.127 0.000 1.096 433 S CA -0.364 57.912 58.200 0.128 0.000 1.063 433 S CB 1.652 64.896 63.200 0.073 0.000 1.042 433 S HN 0.552 nan 8.310 nan 0.000 0.494 434 I N 2.577 123.230 120.570 0.138 0.000 2.530 434 I HA 0.505 4.673 4.170 -0.003 0.000 0.297 434 I C 0.907 177.080 176.117 0.094 0.000 1.011 434 I CA 0.107 61.465 61.300 0.096 0.000 1.107 434 I CB 1.481 39.520 38.000 0.066 0.000 1.285 434 I HN 0.816 nan 8.210 nan 0.000 0.436 435 N N 3.767 122.510 118.700 0.072 0.000 2.413 435 N HA 0.110 4.848 4.740 -0.003 0.000 0.193 435 N C 0.722 176.262 175.510 0.050 0.000 1.043 435 N CA 0.222 53.312 53.050 0.066 0.000 0.910 435 N CB -0.204 38.314 38.487 0.052 0.000 1.111 435 N HN 0.602 nan 8.380 nan 0.000 0.452 436 Q N 0.413 120.235 119.800 0.038 0.000 2.259 436 Q HA 0.424 4.762 4.340 -0.003 0.000 0.246 436 Q C 0.166 176.185 176.000 0.032 0.000 0.920 436 Q CA -0.190 55.631 55.803 0.031 0.000 0.895 436 Q CB 1.249 30.002 28.738 0.025 0.000 1.220 436 Q HN 0.518 nan 8.270 nan 0.000 0.439 437 T N 1.319 115.893 114.554 0.034 0.000 2.754 437 T HA 0.127 4.475 4.350 -0.003 0.000 0.286 437 T C -0.457 174.267 174.700 0.040 0.000 0.997 437 T CA -0.518 61.603 62.100 0.035 0.000 0.982 437 T CB 0.478 69.370 68.868 0.040 0.000 1.027 437 T HN 0.651 nan 8.240 nan 0.000 0.529 438 E N 2.922 123.150 120.200 0.046 0.000 2.498 438 E HA 0.140 4.488 4.350 -0.003 0.000 0.252 438 E C -1.994 174.656 176.600 0.084 0.000 1.025 438 E CA -0.991 55.445 56.400 0.059 0.000 0.938 438 E CB 0.427 30.166 29.700 0.064 0.000 0.947 438 E HN 0.341 nan 8.360 nan 0.000 0.478 439 P HA 0.268 nan 4.420 nan 0.000 0.278 439 P C -2.642 174.734 177.300 0.128 0.000 1.266 439 P CA -1.846 61.308 63.100 0.091 0.000 0.807 439 P CB 0.295 32.035 31.700 0.067 0.000 1.094 440 P HA 0.198 nan 4.420 nan 0.000 0.276 440 P C -0.138 177.253 177.300 0.152 0.000 1.230 440 P CA 0.154 63.358 63.100 0.172 0.000 0.776 440 P CB 0.338 32.066 31.700 0.046 0.000 0.888 441 K N 2.714 123.223 120.400 0.181 0.000 2.284 441 K HA 0.313 4.631 4.320 -0.003 0.000 0.287 441 K C -0.794 175.913 176.600 0.179 0.000 1.081 441 K CA -0.455 55.926 56.287 0.157 0.000 0.910 441 K CB 0.577 33.150 32.500 0.122 0.000 1.088 441 K HN 0.238 nan 8.250 nan 0.000 0.478 442 V N 5.990 125.977 119.914 0.121 0.000 2.495 442 V HA 0.575 4.693 4.120 -0.003 0.000 0.298 442 V C -0.885 175.253 176.094 0.072 0.000 1.031 442 V CA -0.662 61.694 62.300 0.094 0.000 0.871 442 V CB 1.327 33.136 31.823 -0.024 0.000 0.988 442 V HN 0.882 nan 8.190 nan 0.000 0.432 443 R N 5.207 125.766 120.500 0.099 0.000 2.837 443 R HA 0.669 5.007 4.340 -0.003 0.000 0.271 443 R C -1.580 174.646 176.300 -0.123 0.000 0.993 443 R CA -1.058 55.072 56.100 0.050 0.000 0.931 443 R CB 1.890 32.209 30.300 0.032 0.000 1.206 443 R HN 0.640 nan 8.270 nan 0.000 0.474 444 L N 1.814 122.828 121.223 -0.348 0.000 2.313 444 L HA 0.144 4.482 4.340 -0.003 0.000 0.282 444 L C 0.827 177.561 176.870 -0.226 0.000 1.092 444 L CA -0.056 54.510 54.840 -0.456 0.000 0.831 444 L CB 1.609 43.262 42.059 -0.676 0.000 1.159 444 L HN 0.834 nan 8.230 nan 0.000 0.442 445 E N 2.012 122.107 120.200 -0.176 0.000 2.479 445 E HA 0.290 4.638 4.350 -0.003 0.000 0.193 445 E C 0.486 177.020 176.600 -0.110 0.000 1.049 445 E CA 0.405 56.731 56.400 -0.123 0.000 0.870 445 E CB 0.931 30.565 29.700 -0.111 0.000 0.944 445 E HN 0.965 nan 8.360 nan 0.000 0.492 446 G N 0.643 109.366 108.800 -0.129 0.000 2.328 446 G HA2 0.393 4.351 3.960 -0.003 0.000 0.299 446 G HA3 0.393 4.351 3.960 -0.003 0.000 0.299 446 G C -1.231 173.606 174.900 -0.106 0.000 1.435 446 G CA -0.574 44.467 45.100 -0.099 0.000 0.865 446 G HN 0.236 nan 8.290 nan 0.000 0.601 447 R N -1.548 118.909 120.500 -0.072 0.000 2.716 447 R HA 0.881 5.219 4.340 -0.003 0.000 0.271 447 R C -0.189 176.094 176.300 -0.029 0.000 1.028 447 R CA -0.219 55.849 56.100 -0.054 0.000 0.883 447 R CB 1.452 31.725 30.300 -0.045 0.000 1.250 447 R HN 1.680 nan 8.270 nan 0.000 0.465 448 S N -0.174 115.518 115.700 -0.014 0.000 3.287 448 S HA 0.776 5.244 4.470 -0.003 0.000 0.324 448 S C -0.655 173.955 174.600 0.017 0.000 1.205 448 S CA 0.066 58.265 58.200 -0.002 0.000 1.020 448 S CB 1.830 65.025 63.200 -0.009 0.000 1.398 448 S HN 0.994 nan 8.310 nan 0.000 0.679 452 L N 2.906 124.083 121.223 -0.076 0.000 2.456 452 L HA 0.397 4.735 4.340 -0.003 0.000 0.277 452 L C 0.166 176.971 176.870 -0.108 0.000 1.124 452 L CA 0.100 54.889 54.840 -0.086 0.000 0.880 452 L CB 0.700 42.726 42.059 -0.055 0.000 1.192 452 L HN 0.467 nan 8.230 nan 0.000 0.463 453 S N 4.231 119.864 115.700 -0.112 0.000 2.422 453 S HA 0.576 5.044 4.470 -0.003 0.000 0.298 453 S C -0.453 174.074 174.600 -0.121 0.000 1.118 453 S CA -0.660 57.479 58.200 -0.101 0.000 1.083 453 S CB 0.843 63.988 63.200 -0.091 0.000 0.971 453 S HN 0.291 nan 8.310 nan 0.000 0.478 454 V N 4.705 124.585 119.914 -0.056 0.000 2.628 454 V HA 0.794 4.912 4.120 -0.003 0.000 0.306 454 V C 0.069 176.174 176.094 0.019 0.000 1.045 454 V CA -0.614 61.690 62.300 0.006 0.000 0.905 454 V CB 1.974 33.895 31.823 0.163 0.000 0.997 454 V HN 1.038 nan 8.190 nan 0.000 0.436 455 S N 2.819 118.527 115.700 0.015 0.000 2.632 455 S HA 0.916 5.384 4.470 -0.003 0.000 0.289 455 S C -1.329 173.346 174.600 0.126 0.000 1.115 455 S CA -0.747 57.373 58.200 -0.133 0.000 0.889 455 S CB 2.326 65.409 63.200 -0.196 0.000 1.116 455 S HN 1.030 nan 8.310 nan 0.000 0.486 456 W N 0.062 121.354 121.300 -0.013 0.000 3.018 456 W HA 0.839 5.497 4.660 -0.003 0.000 0.352 456 W C -1.150 175.398 176.519 0.048 0.000 1.230 456 W CA -0.549 56.794 57.345 -0.003 0.000 1.162 456 W CB 0.636 30.072 29.460 -0.041 0.000 1.483 456 W HN 1.114 nan 8.180 nan 0.000 0.584 457 S N 0.574 116.450 115.700 0.293 0.000 2.550 457 S HA 0.831 5.299 4.470 -0.003 0.000 0.270 457 S C -1.220 173.523 174.600 0.239 0.000 1.145 457 S CA -0.830 57.440 58.200 0.117 0.000 0.852 457 S CB 1.607 64.777 63.200 -0.049 0.000 1.119 457 S HN 1.203 nan 8.310 nan 0.000 0.465 458 I N -2.170 118.529 120.570 0.214 0.000 2.802 458 I HA 0.706 4.874 4.170 -0.003 0.000 0.298 458 I C -3.022 173.163 176.117 0.113 0.000 1.176 458 I CA -2.575 58.853 61.300 0.214 0.000 1.025 458 I CB 1.862 40.070 38.000 0.346 0.000 1.243 458 I HN 0.391 nan 8.210 nan 0.000 0.424 459 P HA 0.158 nan 4.420 nan 0.000 0.264 459 P C -2.252 175.083 177.300 0.058 0.000 1.193 459 P CA -0.967 62.159 63.100 0.042 0.000 0.763 459 P CB 0.151 31.872 31.700 0.035 0.000 0.810 460 P HA -0.150 nan 4.420 nan 0.000 0.217 460 P C -0.971 176.367 177.300 0.063 0.000 1.148 460 P CA 2.114 65.237 63.100 0.039 0.000 0.834 460 P CB -1.546 30.158 31.700 0.007 0.000 0.783 461 P HA -0.154 nan 4.420 nan 0.000 0.218 461 P C 1.499 178.843 177.300 0.074 0.000 1.148 461 P CA 1.502 64.635 63.100 0.055 0.000 0.822 461 P CB -0.232 31.492 31.700 0.040 0.000 0.784 462 Q N -0.679 119.175 119.800 0.090 0.000 2.389 462 Q HA -0.021 4.317 4.340 -0.003 0.000 0.204 462 Q C 2.386 178.475 176.000 0.147 0.000 0.944 462 Q CA 0.750 56.619 55.803 0.110 0.000 0.908 462 Q CB -0.348 28.460 28.738 0.116 0.000 1.002 462 Q HN 0.350 nan 8.270 nan 0.000 0.493 463 Q N -0.872 119.036 119.800 0.180 0.000 2.226 463 Q HA -0.160 4.178 4.340 -0.003 0.000 0.204 463 Q C 1.975 178.081 176.000 0.178 0.000 0.975 463 Q CA 1.328 57.282 55.803 0.251 0.000 0.866 463 Q CB -0.093 28.818 28.738 0.288 0.000 0.915 463 Q HN 0.258 nan 8.270 nan 0.000 0.440 464 S N 0.058 115.836 115.700 0.129 0.000 2.402 464 S HA -0.175 4.293 4.470 -0.003 0.000 0.229 464 S C 2.192 176.857 174.600 0.109 0.000 1.021 464 S CA 1.280 59.544 58.200 0.107 0.000 0.974 464 S CB -0.075 63.180 63.200 0.091 0.000 0.800 464 S HN 0.481 nan 8.310 nan 0.000 0.484 465 R N 0.910 121.471 120.500 0.101 0.000 2.115 465 R HA 0.215 4.553 4.340 -0.003 0.000 0.230 465 R C 1.374 177.726 176.300 0.087 0.000 1.111 465 R CA 1.277 57.432 56.100 0.092 0.000 0.976 465 R CB -1.879 28.465 30.300 0.074 0.000 0.870 465 R HN 0.698 nan 8.270 nan 0.000 0.445 466 V N -2.570 117.366 119.914 0.037 0.000 2.479 466 V HA 0.141 4.259 4.120 -0.003 0.000 0.281 466 V C 1.047 177.123 176.094 -0.030 0.000 1.031 466 V CA -1.130 61.116 62.300 -0.090 0.000 1.038 466 V CB 0.753 32.349 31.823 -0.378 0.000 0.981 466 V HN 0.521 nan 8.190 nan 0.000 0.478 467 W N 4.544 125.731 121.300 -0.188 0.000 2.444 467 W HA 0.241 4.899 4.660 -0.003 0.000 0.308 467 W C 0.863 177.287 176.519 -0.159 0.000 1.183 467 W CA 0.515 57.782 57.345 -0.130 0.000 1.340 467 W CB 0.447 29.853 29.460 -0.089 0.000 1.138 467 W HN 0.601 nan 8.180 nan 0.000 0.510 468 K N -1.237 119.095 120.400 -0.113 0.000 2.551 468 K HA 0.208 4.526 4.320 -0.003 0.000 0.269 468 K C -1.905 174.517 176.600 -0.296 0.000 0.949 468 K CA -0.737 55.439 56.287 -0.185 0.000 0.849 468 K CB 2.203 34.684 32.500 -0.032 0.000 1.411 468 K HN -0.345 nan 8.250 nan 0.000 0.432 469 Y N 0.926 121.196 120.300 -0.050 0.000 2.334 469 Y HA 0.260 4.807 4.550 -0.003 0.000 0.328 469 Y C 0.120 175.946 175.900 -0.123 0.000 1.130 469 Y CA -0.339 57.686 58.100 -0.125 0.000 1.163 469 Y CB 1.390 39.719 38.460 -0.217 0.000 1.207 469 Y HN 0.433 nan 8.280 nan 0.000 0.471 470 E N 2.335 122.527 120.200 -0.015 0.000 2.145 470 E HA 0.461 4.809 4.350 -0.003 0.000 0.262 470 E C -1.689 174.863 176.600 -0.080 0.000 0.883 470 E CA -0.585 55.799 56.400 -0.027 0.000 0.748 470 E CB 1.076 30.768 29.700 -0.014 0.000 1.140 470 E HN 0.460 nan 8.360 nan 0.000 0.417 471 V N 4.327 124.208 119.914 -0.054 0.000 2.406 471 V HA 0.255 4.373 4.120 -0.003 0.000 0.272 471 V C 0.054 176.181 176.094 0.055 0.000 1.043 471 V CA -0.142 62.139 62.300 -0.031 0.000 0.915 471 V CB 1.501 33.338 31.823 0.024 0.000 0.988 471 V HN 0.713 nan 8.190 nan 0.000 0.466 472 T N 5.674 120.252 114.554 0.040 0.000 2.823 472 T HA 0.670 5.018 4.350 -0.003 0.000 0.279 472 T C -0.973 173.809 174.700 0.136 0.000 0.998 472 T CA -0.254 61.860 62.100 0.023 0.000 0.994 472 T CB 0.991 69.820 68.868 -0.066 0.000 0.960 472 T HN 0.631 nan 8.240 nan 0.000 0.448 473 Y N 0.447 120.777 120.300 0.048 0.000 2.354 473 Y HA 0.759 5.307 4.550 -0.003 0.000 0.330 473 Y C -0.492 175.492 175.900 0.141 0.000 1.011 473 Y CA -1.336 56.798 58.100 0.057 0.000 1.099 473 Y CB 1.082 39.526 38.460 -0.026 0.000 1.179 473 Y HN 0.473 nan 8.280 nan 0.000 0.442 474 R N 2.554 123.218 120.500 0.274 0.000 2.828 474 R HA 0.542 4.879 4.340 -0.003 0.000 0.264 474 R C -1.085 175.452 176.300 0.395 0.000 1.022 474 R CA -1.225 55.039 56.100 0.273 0.000 1.021 474 R CB 1.718 32.120 30.300 0.171 0.000 1.163 474 R HN 0.880 nan 8.270 nan 0.000 0.494 475 K N 1.093 121.670 120.400 0.295 0.000 2.156 475 K HA 0.278 4.596 4.320 -0.003 0.000 0.271 475 K C -0.263 176.365 176.600 0.047 0.000 0.995 475 K CA -0.285 56.088 56.287 0.143 0.000 0.890 475 K CB 1.359 33.914 32.500 0.093 0.000 1.073 475 K HN 0.576 nan 8.250 nan 0.000 0.454 480 N N 0.355 119.105 118.700 0.083 0.000 2.542 480 N HA 0.299 5.037 4.740 -0.003 0.000 0.253 480 N C -0.708 174.805 175.510 0.005 0.000 1.461 480 N CA 0.474 53.570 53.050 0.076 0.000 1.115 480 N CB -0.096 38.413 38.487 0.036 0.000 1.439 480 N HN 0.303 nan 8.380 nan 0.000 0.533 481 S N 0.493 116.217 115.700 0.039 0.000 2.385 481 S HA 0.483 4.951 4.470 -0.003 0.000 0.191 481 S C -0.808 173.799 174.600 0.011 0.000 1.196 481 S CA -0.787 57.378 58.200 -0.059 0.000 1.178 481 S CB -0.102 63.086 63.200 -0.020 0.000 1.258 481 S HN 0.364 nan 8.310 nan 0.000 0.430 482 Y N 0.010 120.279 120.300 -0.052 0.000 2.568 482 Y HA 0.885 5.433 4.550 -0.003 0.000 0.327 482 Y C -0.295 175.477 175.900 -0.214 0.000 1.163 482 Y CA -1.824 56.212 58.100 -0.108 0.000 1.219 482 Y CB 0.879 39.285 38.460 -0.090 0.000 1.308 482 Y HN 0.268 nan 8.280 nan 0.000 0.503 483 N N 0.888 119.423 118.700 -0.275 0.000 2.448 483 N HA 0.381 5.119 4.740 -0.003 0.000 0.279 483 N C -1.679 173.481 175.510 -0.583 0.000 1.025 483 N CA -0.602 52.117 53.050 -0.551 0.000 0.898 483 N CB 2.208 40.148 38.487 -0.913 0.000 1.303 483 N HN 0.725 nan 8.380 nan 0.000 0.495 484 V N 2.261 122.045 119.914 -0.216 0.000 2.547 484 V HA 0.662 4.780 4.120 -0.003 0.000 0.299 484 V C -0.262 175.825 176.094 -0.011 0.000 1.040 484 V CA -0.436 61.816 62.300 -0.082 0.000 0.913 484 V CB 1.228 33.061 31.823 0.017 0.000 0.992 484 V HN 0.540 nan 8.190 nan 0.000 0.449 485 R N 4.170 124.711 120.500 0.070 0.000 2.888 485 R HA 0.747 5.084 4.340 -0.003 0.000 0.266 485 R C -1.006 175.344 176.300 0.083 0.000 1.020 485 R CA -0.960 55.201 56.100 0.101 0.000 0.963 485 R CB 2.543 32.946 30.300 0.172 0.000 1.197 485 R HN 0.758 nan 8.270 nan 0.000 0.481 486 R N -0.148 120.401 120.500 0.082 0.000 2.686 486 R HA 0.463 4.801 4.340 -0.003 0.000 0.283 486 R C -1.102 175.258 176.300 0.100 0.000 0.978 486 R CA -0.572 55.578 56.100 0.082 0.000 0.897 486 R CB 2.597 32.933 30.300 0.060 0.000 1.192 486 R HN 0.510 nan 8.270 nan 0.000 0.457 487 T N -0.226 114.413 114.554 0.142 0.000 2.883 487 T HA 0.215 4.563 4.350 -0.003 0.000 0.301 487 T C -0.015 174.780 174.700 0.158 0.000 1.158 487 T CA -0.516 61.671 62.100 0.145 0.000 1.007 487 T CB 1.874 70.860 68.868 0.197 0.000 1.186 487 T HN 0.659 nan 8.240 nan 0.000 0.499 488 E N 0.973 121.210 120.200 0.062 0.000 2.400 488 E HA 0.219 4.567 4.350 -0.003 0.000 0.195 488 E C 1.191 177.783 176.600 -0.013 0.000 1.012 488 E CA 0.023 56.433 56.400 0.018 0.000 0.875 488 E CB 0.216 29.863 29.700 -0.088 0.000 0.859 488 E HN 0.711 nan 8.360 nan 0.000 0.498 489 G N -0.338 108.425 108.800 -0.061 0.000 2.508 489 G HA2 0.172 4.130 3.960 -0.003 0.000 0.278 489 G HA3 0.172 4.130 3.960 -0.003 0.000 0.278 489 G C -0.156 174.362 174.900 -0.636 0.000 1.389 489 G CA -0.457 44.497 45.100 -0.243 0.000 1.050 489 G HN 0.094 nan 8.290 nan 0.000 0.522 490 F N 0.244 119.847 119.950 -0.579 0.000 2.683 490 F HA 0.355 4.880 4.527 -0.003 0.000 0.306 490 F C 0.878 175.531 175.800 -1.912 0.000 1.102 490 F CA -0.102 57.053 58.000 -1.409 0.000 1.244 490 F CB 0.757 39.246 39.000 -0.852 0.000 1.029 490 F HN 0.403 nan 8.300 nan 0.000 0.545 491 S N 0.146 115.132 115.700 -1.189 0.000 2.543 491 S HA 0.772 5.240 4.470 -0.003 0.000 0.273 491 S C -1.038 173.408 174.600 -0.257 0.000 1.152 491 S CA -0.789 56.956 58.200 -0.758 0.000 0.910 491 S CB 1.520 64.487 63.200 -0.389 0.000 1.105 491 S HN 0.100 nan 8.310 nan 0.000 0.465 492 V N -0.886 119.036 119.914 0.013 0.000 2.962 492 V HA 0.885 5.003 4.120 -0.003 0.000 0.313 492 V C -0.542 175.570 176.094 0.030 0.000 1.099 492 V CA -0.754 61.601 62.300 0.093 0.000 0.971 492 V CB 1.559 33.513 31.823 0.218 0.000 1.028 492 V HN 0.937 nan 8.190 nan 0.000 0.430 493 T N 5.381 119.930 114.554 -0.008 0.000 2.758 493 T HA 0.589 4.937 4.350 -0.003 0.000 0.285 493 T C -0.450 174.200 174.700 -0.083 0.000 0.981 493 T CA -0.360 61.710 62.100 -0.049 0.000 0.965 493 T CB 0.904 69.742 68.868 -0.049 0.000 0.927 493 T HN 0.515 nan 8.240 nan 0.000 0.448 494 L N 4.149 125.272 121.223 -0.167 0.000 2.360 494 L HA 0.408 4.746 4.340 -0.003 0.000 0.276 494 L C 0.536 177.266 176.870 -0.233 0.000 1.121 494 L CA 0.125 54.770 54.840 -0.325 0.000 0.845 494 L CB 0.077 41.745 42.059 -0.652 0.000 1.143 494 L HN 0.603 nan 8.230 nan 0.000 0.452 495 D N 1.542 121.843 120.400 -0.165 0.000 2.326 495 D HA 0.211 4.849 4.640 -0.003 0.000 0.248 495 D C 0.041 176.310 176.300 -0.052 0.000 1.001 495 D CA -0.176 53.777 54.000 -0.079 0.000 0.961 495 D CB 1.240 42.023 40.800 -0.028 0.000 1.183 495 D HN 0.466 nan 8.370 nan 0.000 0.502 496 D N 0.262 120.654 120.400 -0.013 0.000 2.699 496 D HA -0.162 4.476 4.640 -0.003 0.000 0.239 496 D C -0.982 175.345 176.300 0.045 0.000 1.136 496 D CA 0.557 54.570 54.000 0.022 0.000 0.668 496 D CB -0.984 39.837 40.800 0.036 0.000 1.060 496 D HN 0.252 nan 8.370 nan 0.000 0.429 497 L N -0.434 120.815 121.223 0.044 0.000 2.334 497 L HA 0.790 5.128 4.340 -0.003 0.000 0.270 497 L C 1.104 178.080 176.870 0.176 0.000 1.018 497 L CA -1.017 53.898 54.840 0.125 0.000 0.811 497 L CB 1.508 43.602 42.059 0.059 0.000 1.271 497 L HN 0.118 nan 8.230 nan 0.000 0.443 498 A N 2.414 125.391 122.820 0.261 0.000 2.407 498 A HA 0.513 4.831 4.320 -0.003 0.000 0.248 498 A C -2.321 175.337 177.584 0.123 0.000 1.082 498 A CA -1.122 51.006 52.037 0.151 0.000 0.785 498 A CB -0.383 18.680 19.000 0.105 0.000 1.020 498 A HN 0.404 nan 8.150 nan 0.000 0.489 499 P HA 0.116 nan 4.420 nan 0.000 0.275 499 P C -0.414 176.905 177.300 0.032 0.000 1.228 499 P CA 0.313 63.445 63.100 0.053 0.000 0.786 499 P CB 0.476 32.198 31.700 0.036 0.000 0.927 500 D N 0.448 120.867 120.400 0.032 0.000 2.890 500 D HA -0.140 4.498 4.640 -0.003 0.000 0.226 500 D C -1.119 175.169 176.300 -0.020 0.000 1.207 500 D CA 1.195 55.203 54.000 0.014 0.000 0.764 500 D CB -1.388 39.416 40.800 0.008 0.000 0.948 500 D HN 0.293 nan 8.370 nan 0.000 0.404 501 T N 1.639 116.169 114.554 -0.039 0.000 2.916 501 T HA 0.481 4.829 4.350 -0.003 0.000 0.298 501 T C -0.215 174.353 174.700 -0.220 0.000 1.031 501 T CA -0.636 61.355 62.100 -0.182 0.000 0.993 501 T CB 1.772 70.446 68.868 -0.323 0.000 1.045 501 T HN 0.025 nan 8.240 nan 0.000 0.454 502 T N 3.333 117.743 114.554 -0.240 0.000 2.743 502 T HA 0.484 4.832 4.350 -0.003 0.000 0.293 502 T C -1.020 173.533 174.700 -0.245 0.000 0.945 502 T CA -0.151 61.866 62.100 -0.138 0.000 1.030 502 T CB -0.032 68.794 68.868 -0.069 0.000 0.912 502 T HN 0.358 nan 8.240 nan 0.000 0.483 503 Y N 1.846 122.190 120.300 0.073 0.000 2.429 503 Y HA 0.492 5.040 4.550 -0.003 0.000 0.342 503 Y C 0.037 175.953 175.900 0.027 0.000 1.004 503 Y CA -1.406 56.743 58.100 0.081 0.000 1.075 503 Y CB 1.291 39.824 38.460 0.122 0.000 1.214 503 Y HN 0.440 nan 8.280 nan 0.000 0.455 504 L N 4.448 125.799 121.223 0.213 0.000 2.268 504 L HA 0.479 4.817 4.340 -0.003 0.000 0.289 504 L C -0.883 176.042 176.870 0.091 0.000 1.064 504 L CA -0.700 54.188 54.840 0.079 0.000 0.824 504 L CB 0.254 42.340 42.059 0.045 0.000 1.202 504 L HN 0.290 nan 8.230 nan 0.000 0.433 505 V N 3.644 123.560 119.914 0.003 0.000 2.398 505 V HA 0.391 4.509 4.120 -0.003 0.000 0.286 505 V C -0.162 175.928 176.094 -0.007 0.000 1.026 505 V CA -0.514 61.801 62.300 0.026 0.000 0.868 505 V CB 1.695 33.541 31.823 0.039 0.000 0.982 505 V HN 0.763 nan 8.190 nan 0.000 0.443 506 Q N 3.299 123.097 119.800 -0.004 0.000 2.375 506 Q HA 0.745 5.083 4.340 -0.003 0.000 0.271 506 Q C -1.844 174.103 176.000 -0.088 0.000 1.074 506 Q CA -0.575 55.209 55.803 -0.031 0.000 0.808 506 Q CB 2.509 31.220 28.738 -0.044 0.000 1.327 506 Q HN 0.564 nan 8.270 nan 0.000 0.441 507 V N 3.664 123.496 119.914 -0.136 0.000 2.349 507 V HA 0.299 4.417 4.120 -0.003 0.000 0.284 507 V C -0.596 175.401 176.094 -0.161 0.000 1.014 507 V CA -0.689 61.455 62.300 -0.260 0.000 0.826 507 V CB 1.335 32.825 31.823 -0.555 0.000 1.009 507 V HN 0.794 nan 8.190 nan 0.000 0.431 508 Q N 2.747 122.480 119.800 -0.111 0.000 2.261 508 Q HA 0.694 5.032 4.340 -0.003 0.000 0.252 508 Q C 0.025 176.012 176.000 -0.023 0.000 0.915 508 Q CA -0.433 55.339 55.803 -0.052 0.000 0.915 508 Q CB 1.598 30.309 28.738 -0.046 0.000 1.204 508 Q HN 0.911 nan 8.270 nan 0.000 0.421 509 A N 4.272 127.093 122.820 0.000 0.000 2.269 509 A HA 0.452 4.770 4.320 -0.003 0.000 0.302 509 A C -1.224 176.298 177.584 -0.104 0.000 1.266 509 A CA -0.488 51.501 52.037 -0.079 0.000 0.894 509 A CB 0.263 19.280 19.000 0.027 0.000 1.147 509 A HN 0.570 nan 8.150 nan 0.000 0.537 510 L N 2.563 123.691 121.223 -0.158 0.000 2.322 510 L HA 0.709 5.047 4.340 -0.003 0.000 0.279 510 L C 0.821 177.684 176.870 -0.012 0.000 1.036 510 L CA 0.389 55.194 54.840 -0.058 0.000 0.807 510 L CB 1.950 43.997 42.059 -0.021 0.000 1.226 510 L HN 0.869 nan 8.230 nan 0.000 0.433 511 T N -0.991 113.567 114.554 0.006 0.000 2.901 511 T HA 0.610 4.958 4.350 -0.003 0.000 0.293 511 T C -0.284 174.381 174.700 -0.059 0.000 1.084 511 T CA -1.028 61.084 62.100 0.019 0.000 1.008 511 T CB 1.709 70.582 68.868 0.008 0.000 1.170 511 T HN 0.369 nan 8.240 nan 0.000 0.509 517 A N 0.021 122.846 122.820 0.008 0.000 2.303 517 A HA 0.830 5.148 4.320 -0.003 0.000 0.320 517 A C 0.153 177.746 177.584 0.016 0.000 1.192 517 A CA 0.335 52.383 52.037 0.017 0.000 0.821 517 A CB 1.177 20.197 19.000 0.032 0.000 1.188 517 A HN 1.797 nan 8.150 nan 0.000 0.492 518 G N 1.017 109.821 108.800 0.007 0.000 2.448 518 G HA2 0.537 4.495 3.960 -0.003 0.000 0.324 518 G HA3 0.537 4.495 3.960 -0.003 0.000 0.324 518 G C 0.269 175.175 174.900 0.010 0.000 1.203 518 G CA 0.230 45.328 45.100 -0.003 0.000 0.954 518 G HN 1.309 nan 8.290 nan 0.000 0.480 519 S N -0.106 115.601 115.700 0.011 0.000 2.626 519 S HA 0.635 5.103 4.470 -0.003 0.000 0.257 519 S C 0.842 175.476 174.600 0.058 0.000 1.288 519 S CA 0.389 58.621 58.200 0.052 0.000 0.980 519 S CB 0.448 63.688 63.200 0.065 0.000 0.975 519 S HN 1.169 nan 8.310 nan 0.000 0.577 520 K N 0.198 120.655 120.400 0.095 0.000 2.219 520 K HA 0.505 4.823 4.320 -0.003 0.000 0.258 520 K C -0.047 176.595 176.600 0.070 0.000 1.008 520 K CA -0.237 56.066 56.287 0.027 0.000 0.928 520 K CB -0.274 32.188 32.500 -0.063 0.000 0.983 520 K HN 0.710 nan 8.250 nan 0.000 0.484 521 V N 2.993 122.888 119.914 -0.031 0.000 2.555 521 V HA 0.218 4.336 4.120 -0.003 0.000 0.286 521 V C -0.378 175.630 176.094 -0.143 0.000 1.044 521 V CA -0.256 62.024 62.300 -0.033 0.000 1.026 521 V CB 0.140 31.924 31.823 -0.066 0.000 0.981 521 V HN 0.896 nan 8.190 nan 0.000 0.480 522 H N 2.259 121.164 119.070 -0.275 0.000 2.529 522 H HA 0.522 5.076 4.556 -0.003 0.000 0.348 522 H C -0.358 174.629 175.328 -0.569 0.000 1.152 522 H CA -0.701 55.053 56.048 -0.491 0.000 1.202 522 H CB 1.335 30.579 29.762 -0.862 0.000 1.562 522 H HN 0.624 nan 8.280 nan 0.000 0.515 523 E N 2.495 122.476 120.200 -0.365 0.000 2.092 523 E HA 0.276 4.624 4.350 -0.003 0.000 0.271 523 E C -0.956 175.630 176.600 -0.023 0.000 0.919 523 E CA -0.315 55.979 56.400 -0.176 0.000 0.760 523 E CB 1.021 30.687 29.700 -0.056 0.000 1.106 523 E HN 0.407 nan 8.360 nan 0.000 0.408 524 F N 1.713 121.751 119.950 0.146 0.000 2.467 524 F HA 0.426 4.951 4.527 -0.003 0.000 0.336 524 F C 0.753 176.640 175.800 0.146 0.000 1.123 524 F CA -0.941 57.139 58.000 0.134 0.000 0.964 524 F CB 1.732 40.807 39.000 0.126 0.000 1.136 524 F HN 0.363 nan 8.300 nan 0.000 0.447 525 Q N 1.611 121.591 119.800 0.300 0.000 2.293 525 Q HA 0.572 4.910 4.340 -0.003 0.000 0.261 525 Q C -0.088 176.002 176.000 0.149 0.000 0.960 525 Q CA -1.073 54.837 55.803 0.179 0.000 0.882 525 Q CB 1.325 30.128 28.738 0.109 0.000 1.275 525 Q HN 0.723 nan 8.270 nan 0.000 0.445 526 T N -0.283 114.359 114.554 0.147 0.000 2.788 526 T HA 0.614 4.962 4.350 -0.003 0.000 0.287 526 T C 0.606 175.345 174.700 0.065 0.000 1.007 526 T CA -0.608 61.561 62.100 0.114 0.000 1.005 526 T CB 0.444 69.401 68.868 0.148 0.000 1.012 526 T HN 0.518 nan 8.240 nan 0.000 0.530 527 L N 0.830 122.081 121.223 0.046 0.000 2.456 527 L HA 0.421 4.759 4.340 -0.003 0.000 0.246 527 L C 0.876 177.762 176.870 0.028 0.000 1.238 527 L CA 0.590 55.447 54.840 0.030 0.000 0.826 527 L CB 0.411 42.482 42.059 0.019 0.000 1.150 527 L HN 0.983 nan 8.230 nan 0.000 0.514 528 S N 0.000 115.712 115.700 0.020 0.000 2.498 528 S HA 0.000 4.468 4.470 -0.003 0.000 0.327 528 S CA 0.000 58.210 58.200 0.016 0.000 1.107 528 S CB 0.000 63.208 63.200 0.014 0.000 0.593 528 S HN 0.000 nan 8.310 nan 0.000 0.517