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 3jrw_1_A DATA FIRST_RESID 220 DATA SEQUENCE SMXGLXXXXX XXXXXXXXXH RDFTVASPAE FVTRFGGDRV IEKVLIANNG DATA SEQUENCE IAAVKCMRSI RRWAYEMFRN ERAIRFVVMV TPEDLKANAE YIKMADHYVP DATA SEQUENCE VPGGPNNNNY ANVELIVDIA KRIPVQAVWA GWGHASENPK LPELLCKNGV DATA SEQUENCE AFLGPPSEAM WALGDKIAST VVAQTLQVPT LPWSGSGLTV EWXXXXXXQG DATA SEQUENCE KRISVPEDVY DKGCVKDVDE GLEAAERIGF PLMIKASEGG GGKGIRKAES DATA SEQUENCE AEDFPILFRQ VQSEIPGSPI FLMKLAQHAR HLEVQILADQ YGNAVSLFGR DATA SEQUENCE DCSIQRRHQK IVEEAPATIA PLAIFEFMEQ CAIRLAKTVG YVSAGTVEYL DATA SEQUENCE YSQDGSFHFL ELNPRLQVEH PCTEMIADVN LPAAQLQIAM GVPLHRLKDI DATA SEQUENCE RLLYGESPWG VTPISFETPS NPPLARGHVI AARITSEXXX XXXXXXSGTV DATA SEQUENCE QELNFRSSKN VWGYFSVXXX XXXXXXXXXQ FGHCFSWGEN REEAISNMVV DATA SEQUENCE ALKELSIRGD FRTTVEYLIN LLETESFQNN DIDTGWLDYL 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 220 S HA 0.000 nan 4.470 nan 0.000 0.327 220 S C 0.000 174.272 174.600 -0.547 0.000 1.055 220 S CA 0.000 58.118 58.200 -0.137 0.000 1.107 220 S CB 0.000 63.145 63.200 -0.091 0.000 0.593 240 R N 0.613 120.998 120.500 -0.191 0.000 2.524 240 R HA 0.249 4.589 4.340 0.000 0.000 0.236 240 R C -0.704 175.283 176.300 -0.523 0.000 1.240 240 R CA -0.449 55.481 56.100 -0.283 0.000 1.111 240 R CB 0.718 30.928 30.300 -0.149 0.000 1.436 240 R HN 0.491 nan 8.270 nan 0.000 0.573 241 D N 0.706 120.866 120.400 -0.399 0.000 2.461 241 D HA 0.161 4.801 4.640 0.000 0.000 0.240 241 D C -0.591 175.530 176.300 -0.299 0.000 1.094 241 D CA -0.283 53.488 54.000 -0.381 0.000 0.868 241 D CB 0.329 41.001 40.800 -0.213 0.000 1.062 241 D HN 0.431 nan 8.370 nan 0.000 0.530 242 F N 2.045 121.740 119.950 -0.426 0.000 2.696 242 F HA 0.101 4.628 4.527 0.000 0.000 0.296 242 F C 1.080 176.457 175.800 -0.706 0.000 1.181 242 F CA -0.367 57.138 58.000 -0.825 0.000 1.411 242 F CB 0.315 38.672 39.000 -1.072 0.000 1.014 242 F HN 0.162 nan 8.300 nan 0.000 0.512 243 T N -1.787 112.599 114.554 -0.280 0.000 2.900 243 T HA 0.635 4.985 4.350 0.000 0.000 0.295 243 T C -0.269 174.336 174.700 -0.158 0.000 1.044 243 T CA -0.797 61.140 62.100 -0.272 0.000 0.995 243 T CB 1.955 70.653 68.868 -0.284 0.000 1.072 243 T HN -0.044 nan 8.240 nan 0.000 0.473 244 V N -0.084 119.750 119.914 -0.134 0.000 3.406 244 V HA 0.935 5.055 4.120 0.000 0.000 0.305 244 V C 1.211 177.346 176.094 0.067 0.000 1.136 244 V CA -0.223 62.090 62.300 0.021 0.000 1.011 244 V CB 0.703 32.627 31.823 0.167 0.000 1.221 244 V HN 1.237 nan 8.190 nan 0.000 0.454 245 A N 0.167 123.074 122.820 0.145 0.000 2.229 245 A HA 0.645 4.965 4.320 0.000 0.000 0.211 245 A C 0.930 178.638 177.584 0.207 0.000 1.193 245 A CA 0.696 52.820 52.037 0.145 0.000 0.879 245 A CB -0.386 18.662 19.000 0.079 0.000 0.911 245 A HN 1.777 nan 8.150 nan 0.000 0.492 246 S N -3.131 112.743 115.700 0.291 0.000 2.567 246 S HA 0.488 4.958 4.470 0.000 0.000 0.270 246 S C -2.806 171.958 174.600 0.274 0.000 1.152 246 S CA -0.794 57.501 58.200 0.160 0.000 0.835 246 S CB 1.096 64.335 63.200 0.065 0.000 1.115 246 S HN -0.149 nan 8.310 nan 0.000 0.459 247 P HA -0.206 nan 4.420 nan 0.000 0.217 247 P C 1.806 179.305 177.300 0.332 0.000 1.162 247 P CA 2.893 66.084 63.100 0.150 0.000 0.901 247 P CB -0.291 31.380 31.700 -0.048 0.000 0.793 248 A N -0.191 122.742 122.820 0.188 0.000 1.896 248 A HA -0.358 3.962 4.320 0.000 0.000 0.220 248 A C 2.355 180.068 177.584 0.214 0.000 1.206 248 A CA 2.594 54.735 52.037 0.173 0.000 0.647 248 A CB -1.615 17.448 19.000 0.104 0.000 0.828 248 A HN 0.330 nan 8.150 nan 0.000 0.455 249 E N -1.631 118.711 120.200 0.237 0.000 2.106 249 E HA -0.181 4.169 4.350 0.000 0.000 0.192 249 E C 1.784 178.573 176.600 0.314 0.000 0.984 249 E CA 1.253 57.788 56.400 0.226 0.000 0.806 249 E CB -0.294 29.525 29.700 0.198 0.000 0.750 249 E HN 0.656 nan 8.360 nan 0.000 0.458 250 F N 0.834 120.959 119.950 0.292 0.000 2.075 250 F HA -0.202 4.325 4.527 0.000 0.000 0.297 250 F C 1.956 177.997 175.800 0.402 0.000 1.113 250 F CA 1.526 59.753 58.000 0.379 0.000 1.218 250 F CB -0.461 38.724 39.000 0.308 0.000 0.984 250 F HN -0.111 nan 8.300 nan 0.000 0.472 251 V N 0.354 120.468 119.914 0.333 0.000 2.252 251 V HA -0.372 3.748 4.120 0.000 0.000 0.249 251 V C 2.389 178.524 176.094 0.070 0.000 1.056 251 V CA 2.525 64.917 62.300 0.153 0.000 1.022 251 V CB -1.356 30.605 31.823 0.231 0.000 0.641 251 V HN 0.490 nan 8.190 nan 0.000 0.445 252 T N -0.578 114.041 114.554 0.107 0.000 2.643 252 T HA -0.253 4.097 4.350 0.000 0.000 0.264 252 T C 2.074 176.787 174.700 0.022 0.000 1.045 252 T CA 2.017 64.155 62.100 0.064 0.000 1.155 252 T CB -0.294 68.615 68.868 0.069 0.000 0.863 252 T HN 0.390 nan 8.240 nan 0.000 0.420 253 R N -0.103 120.419 120.500 0.036 0.000 2.127 253 R HA -0.037 4.303 4.340 0.000 0.000 0.238 253 R C 0.953 177.105 176.300 -0.246 0.000 1.134 253 R CA 1.339 57.389 56.100 -0.083 0.000 0.975 253 R CB -0.265 29.998 30.300 -0.062 0.000 0.865 253 R HN 0.339 nan 8.270 nan 0.000 0.447 254 F N -0.034 119.753 119.950 -0.271 0.000 2.713 254 F HA 0.333 4.860 4.527 0.000 0.000 0.294 254 F C 1.264 176.934 175.800 -0.216 0.000 1.152 254 F CA 0.375 58.196 58.000 -0.300 0.000 1.385 254 F CB 0.853 39.502 39.000 -0.584 0.000 0.981 254 F HN 0.252 nan 8.300 nan 0.000 0.514 255 G N 0.315 109.097 108.800 -0.030 0.000 2.153 255 G HA2 -0.225 3.735 3.960 0.000 0.000 0.252 255 G HA3 -0.225 3.735 3.960 0.000 0.000 0.252 255 G C 0.796 175.708 174.900 0.020 0.000 0.994 255 G CA -0.109 44.976 45.100 -0.025 0.000 0.698 255 G HN 0.776 nan 8.290 nan 0.000 0.521 256 G N -0.373 108.447 108.800 0.033 0.000 2.634 256 G HA2 0.503 4.463 3.960 0.000 0.000 0.255 256 G HA3 0.503 4.463 3.960 0.000 0.000 0.255 256 G C 0.648 175.611 174.900 0.104 0.000 1.205 256 G CA 0.652 45.803 45.100 0.085 0.000 0.884 256 G HN 0.756 nan 8.290 nan 0.000 0.549 257 D N -2.103 118.375 120.400 0.129 0.000 2.497 257 D HA 0.070 4.710 4.640 0.000 0.000 0.256 257 D C 0.480 176.840 176.300 0.100 0.000 1.273 257 D CA -0.306 53.762 54.000 0.114 0.000 0.812 257 D CB 0.466 41.349 40.800 0.139 0.000 1.190 257 D HN 0.410 nan 8.370 nan 0.000 0.524 258 R N 0.674 121.240 120.500 0.109 0.000 2.522 258 R HA 0.423 4.763 4.340 0.000 0.000 0.273 258 R C -2.060 174.308 176.300 0.114 0.000 1.133 258 R CA -0.548 55.609 56.100 0.095 0.000 0.969 258 R CB 2.109 32.456 30.300 0.079 0.000 1.235 258 R HN -0.147 nan 8.270 nan 0.000 0.433 259 V N 6.383 126.356 119.914 0.099 0.000 2.406 259 V HA 0.418 4.538 4.120 0.000 0.000 0.272 259 V C 0.134 176.268 176.094 0.066 0.000 1.043 259 V CA -0.288 62.076 62.300 0.106 0.000 0.915 259 V CB 1.293 33.171 31.823 0.091 0.000 0.988 259 V HN 0.586 nan 8.190 nan 0.000 0.466 260 I N 5.226 125.834 120.570 0.064 0.000 2.411 260 I HA 0.406 4.576 4.170 0.000 0.000 0.284 260 I C 0.613 176.711 176.117 -0.031 0.000 1.012 260 I CA -0.153 61.157 61.300 0.015 0.000 1.119 260 I CB 1.531 39.543 38.000 0.020 0.000 1.261 260 I HN 0.783 nan 8.210 nan 0.000 0.448 261 E N 4.034 124.190 120.200 -0.074 0.000 2.641 261 E HA 0.195 4.545 4.350 0.000 0.000 0.224 261 E C 0.035 176.522 176.600 -0.188 0.000 0.951 261 E CA -0.461 55.855 56.400 -0.140 0.000 1.102 261 E CB 0.862 30.486 29.700 -0.126 0.000 1.091 261 E HN 0.329 nan 8.360 nan 0.000 0.507 262 K N 1.512 121.817 120.400 -0.157 0.000 2.507 262 K HA 0.401 4.721 4.320 0.000 0.000 0.252 262 K C -1.725 174.789 176.600 -0.143 0.000 0.943 262 K CA -0.605 55.579 56.287 -0.173 0.000 0.808 262 K CB 2.091 34.516 32.500 -0.125 0.000 1.142 262 K HN -0.052 nan 8.250 nan 0.000 0.426 263 V N 4.942 124.737 119.914 -0.198 0.000 2.604 263 V HA 0.467 4.587 4.120 0.000 0.000 0.305 263 V C -1.028 175.125 176.094 0.099 0.000 1.043 263 V CA -1.042 61.226 62.300 -0.053 0.000 0.888 263 V CB 1.554 33.335 31.823 -0.070 0.000 0.995 263 V HN 0.722 nan 8.190 nan 0.000 0.429 264 L N 6.141 127.454 121.223 0.149 0.000 2.272 264 L HA 0.606 4.946 4.340 0.000 0.000 0.289 264 L C -0.452 176.569 176.870 0.252 0.000 1.032 264 L CA 0.283 55.236 54.840 0.187 0.000 0.810 264 L CB 0.875 43.016 42.059 0.136 0.000 1.205 264 L HN 0.548 nan 8.230 nan 0.000 0.422 265 I N 6.018 126.750 120.570 0.270 0.000 2.291 265 I HA 0.297 4.467 4.170 0.000 0.000 0.290 265 I C 0.623 176.866 176.117 0.210 0.000 1.050 265 I CA -0.387 61.078 61.300 0.275 0.000 1.245 265 I CB 1.410 39.530 38.000 0.200 0.000 1.405 265 I HN 0.856 nan 8.210 nan 0.000 0.478 266 A N 6.277 129.213 122.820 0.194 0.000 3.077 266 A HA 0.326 4.646 4.320 0.000 0.000 0.255 266 A C 0.111 177.756 177.584 0.101 0.000 1.728 266 A CA 0.213 52.344 52.037 0.158 0.000 1.383 266 A CB -0.679 18.395 19.000 0.123 0.000 1.097 266 A HN 0.929 nan 8.150 nan 0.000 0.634 267 N N -0.589 118.125 118.700 0.022 0.000 3.405 267 N HA 0.222 4.962 4.740 0.000 0.000 0.292 267 N C -1.537 173.583 175.510 -0.651 0.000 1.456 267 N CA -0.316 52.579 53.050 -0.258 0.000 0.861 267 N CB 0.577 38.885 38.487 -0.298 0.000 1.643 267 N HN 0.486 nan 8.380 nan 0.000 0.474 268 N N -0.397 117.801 118.700 -0.835 0.000 3.439 268 N HA 0.530 5.270 4.740 0.000 0.000 0.313 268 N C 0.411 175.524 175.510 -0.661 0.000 1.598 268 N CA 0.316 52.703 53.050 -1.107 0.000 0.830 268 N CB 0.083 37.903 38.487 -1.111 0.000 1.849 268 N HN 0.895 nan 8.380 nan 0.000 0.598 269 G N 0.698 109.228 108.800 -0.449 0.000 2.574 269 G HA2 -0.330 3.630 3.960 0.000 0.000 0.282 269 G HA3 -0.330 3.630 3.960 0.000 0.000 0.282 269 G C 0.808 175.658 174.900 -0.084 0.000 1.257 269 G CA 0.765 45.801 45.100 -0.107 0.000 0.956 269 G HN 1.010 nan 8.290 nan 0.000 0.560 270 I N 1.282 121.853 120.570 0.002 0.000 2.208 270 I HA 0.056 4.226 4.170 0.000 0.000 0.245 270 I C 3.075 179.200 176.117 0.013 0.000 1.097 270 I CA 2.846 64.145 61.300 -0.001 0.000 1.363 270 I CB -0.909 37.078 38.000 -0.022 0.000 1.051 270 I HN 1.118 nan 8.210 nan 0.000 0.413 271 A N 0.672 123.465 122.820 -0.045 0.000 1.892 271 A HA -0.199 4.121 4.320 0.000 0.000 0.218 271 A C 2.528 180.018 177.584 -0.157 0.000 1.188 271 A CA 2.301 54.148 52.037 -0.315 0.000 0.631 271 A CB -1.508 16.915 19.000 -0.961 0.000 0.822 271 A HN 0.581 nan 8.150 nan 0.000 0.447 272 A N -0.815 121.859 122.820 -0.243 0.000 1.972 272 A HA 0.056 4.376 4.320 0.000 0.000 0.219 272 A C 2.216 179.637 177.584 -0.273 0.000 1.169 272 A CA 1.806 53.668 52.037 -0.291 0.000 0.635 272 A CB -0.772 17.918 19.000 -0.516 0.000 0.810 272 A HN 0.412 nan 8.150 nan 0.000 0.446 273 V N 0.055 119.865 119.914 -0.173 0.000 2.255 273 V HA -0.194 3.926 4.120 0.000 0.000 0.243 273 V C 2.488 178.468 176.094 -0.191 0.000 1.038 273 V CA 2.264 64.483 62.300 -0.135 0.000 1.008 273 V CB -0.704 31.088 31.823 -0.052 0.000 0.645 273 V HN 0.590 nan 8.190 nan 0.000 0.449 274 K N 0.268 120.592 120.400 -0.125 0.000 2.103 274 K HA -0.211 4.109 4.320 0.000 0.000 0.207 274 K C 2.198 178.646 176.600 -0.254 0.000 1.048 274 K CA 2.011 58.244 56.287 -0.090 0.000 0.930 274 K CB -1.143 31.446 32.500 0.148 0.000 0.716 274 K HN 0.552 nan 8.250 nan 0.000 0.444 275 C N 0.315 119.302 119.300 -0.521 0.000 2.413 275 C HA -0.095 4.365 4.460 0.000 0.000 0.277 275 C C 2.446 176.971 174.990 -0.775 0.000 1.228 275 C CA 1.314 59.744 59.018 -0.979 0.000 1.731 275 C CB -0.854 25.764 27.740 -1.870 0.000 2.042 275 C HN 0.632 nan 8.230 nan 0.000 0.468 276 M N 0.130 119.258 119.600 -0.788 0.000 2.086 276 M HA -0.106 4.374 4.480 0.000 0.000 0.261 276 M C 2.600 178.665 176.300 -0.391 0.000 1.067 276 M CA 1.756 56.541 55.300 -0.859 0.000 1.116 276 M CB -0.587 31.581 32.600 -0.721 0.000 1.348 276 M HN 0.416 nan 8.290 nan 0.000 0.407 277 R N -0.319 120.015 120.500 -0.277 0.000 2.073 277 R HA -0.087 4.253 4.340 0.000 0.000 0.234 277 R C 2.403 178.635 176.300 -0.113 0.000 1.134 277 R CA 1.742 57.743 56.100 -0.165 0.000 0.952 277 R CB -0.748 29.453 30.300 -0.165 0.000 0.850 277 R HN 0.310 nan 8.270 nan 0.000 0.433 278 S N 1.199 116.822 115.700 -0.129 0.000 2.353 278 S HA -0.109 4.361 4.470 0.000 0.000 0.222 278 S C 2.103 176.717 174.600 0.022 0.000 1.035 278 S CA 1.197 59.362 58.200 -0.059 0.000 1.025 278 S CB -0.243 62.921 63.200 -0.060 0.000 0.902 278 S HN 0.202 nan 8.310 nan 0.000 0.440 279 I N 1.266 121.833 120.570 -0.005 0.000 2.127 279 I HA -0.239 3.931 4.170 0.000 0.000 0.241 279 I C 2.646 178.956 176.117 0.321 0.000 1.075 279 I CA 1.352 62.760 61.300 0.181 0.000 1.334 279 I CB -0.383 37.780 38.000 0.271 0.000 1.040 279 I HN 0.200 nan 8.210 nan 0.000 0.405 280 R N 0.175 120.809 120.500 0.222 0.000 2.127 280 R HA -0.227 4.113 4.340 0.000 0.000 0.238 280 R C 2.388 178.799 176.300 0.185 0.000 1.134 280 R CA 1.301 57.526 56.100 0.208 0.000 0.975 280 R CB -0.400 29.967 30.300 0.113 0.000 0.865 280 R HN 0.215 nan 8.270 nan 0.000 0.447 281 R N 0.412 121.004 120.500 0.153 0.000 2.075 281 R HA -0.175 4.165 4.340 0.000 0.000 0.232 281 R C 1.744 178.175 176.300 0.217 0.000 1.126 281 R CA 1.597 57.788 56.100 0.152 0.000 0.963 281 R CB -0.761 29.591 30.300 0.086 0.000 0.858 281 R HN 0.385 nan 8.270 nan 0.000 0.435 282 W N 0.602 121.936 121.300 0.057 0.000 2.381 282 W HA 0.044 4.704 4.660 0.000 0.000 0.301 282 W C 1.891 178.444 176.519 0.058 0.000 1.205 282 W CA 1.950 59.315 57.345 0.033 0.000 1.285 282 W CB -0.549 28.910 29.460 -0.002 0.000 1.133 282 W HN 0.182 nan 8.180 nan 0.000 0.521 283 A N -0.275 122.615 122.820 0.116 0.000 1.908 283 A HA -0.285 4.035 4.320 0.000 0.000 0.218 283 A C 1.907 179.521 177.584 0.051 0.000 1.181 283 A CA 1.856 53.928 52.037 0.058 0.000 0.627 283 A CB -1.628 17.516 19.000 0.240 0.000 0.818 283 A HN 0.570 nan 8.150 nan 0.000 0.445 284 Y N 0.575 120.849 120.300 -0.044 0.000 2.181 284 Y HA -0.173 4.377 4.550 0.000 0.000 0.288 284 Y C 2.308 178.125 175.900 -0.139 0.000 1.146 284 Y CA 1.970 60.038 58.100 -0.054 0.000 1.164 284 Y CB -0.446 37.999 38.460 -0.025 0.000 0.982 284 Y HN 0.557 nan 8.280 nan 0.000 0.515 285 E N -1.016 119.007 120.200 -0.296 0.000 2.204 285 E HA -0.190 4.160 4.350 0.000 0.000 0.195 285 E C 1.780 178.086 176.600 -0.490 0.000 0.990 285 E CA 1.333 57.515 56.400 -0.364 0.000 0.821 285 E CB -0.010 29.603 29.700 -0.145 0.000 0.750 285 E HN 0.382 nan 8.360 nan 0.000 0.477 286 M N -0.766 118.369 119.600 -0.776 0.000 2.545 286 M HA 0.081 4.561 4.480 0.000 0.000 0.264 286 M C 0.711 176.328 176.300 -1.137 0.000 1.155 286 M CA 0.762 55.397 55.300 -1.107 0.000 1.162 286 M CB 0.115 31.550 32.600 -1.942 0.000 1.330 286 M HN 0.127 nan 8.290 nan 0.000 0.479 287 F N -0.627 119.094 119.950 -0.382 0.000 2.688 287 F HA 0.381 4.909 4.527 0.000 0.000 0.310 287 F C 0.696 176.385 175.800 -0.185 0.000 1.098 287 F CA -0.340 57.516 58.000 -0.239 0.000 1.228 287 F CB 0.025 38.901 39.000 -0.207 0.000 1.042 287 F HN 0.052 nan 8.300 nan 0.000 0.557 288 R N 1.336 121.718 120.500 -0.197 0.000 3.741 288 R HA -0.290 4.050 4.340 0.000 0.000 0.292 288 R C -0.318 176.104 176.300 0.204 0.000 1.176 288 R CA 1.084 57.057 56.100 -0.211 0.000 0.794 288 R CB -2.056 28.163 30.300 -0.136 0.000 1.213 288 R HN 0.577 nan 8.270 nan 0.000 0.494 289 N N -0.336 118.533 118.700 0.281 0.000 2.571 289 N HA 0.033 4.773 4.740 0.000 0.000 0.286 289 N C 0.581 176.229 175.510 0.230 0.000 1.138 289 N CA -0.273 52.925 53.050 0.247 0.000 0.859 289 N CB 1.180 39.740 38.487 0.122 0.000 1.414 289 N HN 0.259 nan 8.380 nan 0.000 0.529 290 E N 2.522 122.842 120.200 0.199 0.000 2.331 290 E HA -0.126 4.224 4.350 0.000 0.000 0.199 290 E C 0.491 177.152 176.600 0.101 0.000 1.008 290 E CA 1.006 57.484 56.400 0.129 0.000 0.843 290 E CB 0.301 30.002 29.700 0.000 0.000 0.761 290 E HN 0.513 nan 8.360 nan 0.000 0.507 291 R N -0.545 119.990 120.500 0.059 0.000 2.362 291 R HA 0.234 4.574 4.340 0.000 0.000 0.227 291 R C 1.787 178.056 176.300 -0.051 0.000 0.905 291 R CA 0.633 56.751 56.100 0.030 0.000 1.067 291 R CB 0.228 30.540 30.300 0.020 0.000 1.078 291 R HN 0.166 nan 8.270 nan 0.000 0.516 292 A N 1.472 124.224 122.820 -0.114 0.000 1.997 292 A HA -0.123 4.197 4.320 0.000 0.000 0.221 292 A C 1.059 178.436 177.584 -0.345 0.000 1.172 292 A CA 1.107 52.943 52.037 -0.335 0.000 0.645 292 A CB -0.145 18.403 19.000 -0.753 0.000 0.813 292 A HN 0.067 nan 8.150 nan 0.000 0.454 293 I N 1.429 121.849 120.570 -0.251 0.000 2.347 293 I HA 0.234 4.404 4.170 0.000 0.000 0.283 293 I C -0.264 175.565 176.117 -0.480 0.000 1.058 293 I CA -0.575 60.523 61.300 -0.337 0.000 1.202 293 I CB 0.341 38.179 38.000 -0.270 0.000 1.386 293 I HN 0.220 nan 8.210 nan 0.000 0.475 294 R N 4.954 125.240 120.500 -0.357 0.000 2.643 294 R HA 0.383 4.723 4.340 0.000 0.000 0.270 294 R C -0.974 175.064 176.300 -0.437 0.000 1.061 294 R CA -0.004 55.966 56.100 -0.217 0.000 1.107 294 R CB 0.382 30.655 30.300 -0.046 0.000 0.999 294 R HN 0.193 nan 8.270 nan 0.000 0.460 295 F N -0.144 119.868 119.950 0.103 0.000 2.540 295 F HA 0.337 4.864 4.527 0.000 0.000 0.317 295 F C -0.149 175.749 175.800 0.163 0.000 1.104 295 F CA -0.952 57.104 58.000 0.094 0.000 0.913 295 F CB 2.019 41.050 39.000 0.051 0.000 1.170 295 F HN 0.019 nan 8.300 nan 0.000 0.450 296 V N 4.395 124.504 119.914 0.326 0.000 2.409 296 V HA 0.642 4.762 4.120 0.000 0.000 0.291 296 V C -0.435 175.835 176.094 0.293 0.000 1.020 296 V CA -0.850 61.622 62.300 0.286 0.000 0.848 296 V CB 1.561 33.486 31.823 0.170 0.000 0.990 296 V HN 0.625 nan 8.190 nan 0.000 0.430 297 V N 2.735 122.847 119.914 0.330 0.000 3.096 297 V HA 0.748 4.868 4.120 0.000 0.000 0.319 297 V C -0.327 175.991 176.094 0.374 0.000 1.103 297 V CA -1.037 61.466 62.300 0.338 0.000 1.016 297 V CB 2.065 34.137 31.823 0.414 0.000 1.090 297 V HN 0.760 nan 8.190 nan 0.000 0.449 298 M N 2.076 121.916 119.600 0.399 0.000 2.336 298 M HA 0.685 5.165 4.480 0.000 0.000 0.342 298 M C -1.140 175.490 176.300 0.549 0.000 1.128 298 M CA -0.566 54.971 55.300 0.396 0.000 1.016 298 M CB 2.015 34.807 32.600 0.320 0.000 1.665 298 M HN 0.548 nan 8.290 nan 0.000 0.445 299 V N 1.636 121.794 119.914 0.406 0.000 2.443 299 V HA 0.414 4.534 4.120 0.000 0.000 0.293 299 V C 0.048 176.269 176.094 0.211 0.000 1.021 299 V CA -0.921 61.604 62.300 0.375 0.000 0.848 299 V CB 1.483 33.455 31.823 0.248 0.000 0.998 299 V HN 0.948 nan 8.190 nan 0.000 0.424 300 T N 2.418 117.086 114.554 0.189 0.000 2.910 300 T HA 0.319 4.670 4.350 0.000 0.000 0.293 300 T C -1.705 173.047 174.700 0.086 0.000 1.015 300 T CA -1.827 60.307 62.100 0.057 0.000 1.094 300 T CB 1.443 70.309 68.868 -0.003 0.000 0.968 300 T HN 0.397 nan 8.240 nan 0.000 0.521 301 P HA -0.142 nan 4.420 nan 0.000 0.220 301 P C 0.841 178.171 177.300 0.050 0.000 1.142 301 P CA 1.063 64.192 63.100 0.048 0.000 0.801 301 P CB 0.115 31.833 31.700 0.031 0.000 0.764 302 E N -0.818 119.423 120.200 0.068 0.000 2.022 302 E HA -0.102 4.248 4.350 0.000 0.000 0.190 302 E C 1.866 178.513 176.600 0.079 0.000 0.973 302 E CA 0.916 57.360 56.400 0.074 0.000 0.816 302 E CB -1.230 28.527 29.700 0.094 0.000 0.781 302 E HN 0.161 nan 8.360 nan 0.000 0.456 303 D N 0.417 120.895 120.400 0.131 0.000 2.170 303 D HA -0.193 4.447 4.640 0.000 0.000 0.193 303 D C 1.960 178.255 176.300 -0.009 0.000 1.004 303 D CA 0.935 55.007 54.000 0.119 0.000 0.860 303 D CB -0.143 40.823 40.800 0.277 0.000 0.931 303 D HN 0.013 nan 8.370 nan 0.000 0.448 304 L N 1.224 122.442 121.223 -0.007 0.000 2.046 304 L HA -0.146 4.194 4.340 0.000 0.000 0.208 304 L C 2.027 178.868 176.870 -0.049 0.000 1.077 304 L CA 1.764 56.565 54.840 -0.064 0.000 0.747 304 L CB -0.355 41.701 42.059 -0.005 0.000 0.896 304 L HN -0.199 nan 8.230 nan 0.000 0.432 305 K N -0.497 119.898 120.400 -0.009 0.000 2.103 305 K HA 0.073 4.393 4.320 0.000 0.000 0.204 305 K C 1.928 178.523 176.600 -0.009 0.000 1.052 305 K CA 1.102 57.386 56.287 -0.005 0.000 0.945 305 K CB -0.205 32.302 32.500 0.012 0.000 0.722 305 K HN 0.429 nan 8.250 nan 0.000 0.443 306 A N 0.966 123.785 122.820 -0.002 0.000 2.119 306 A HA -0.095 4.225 4.320 0.000 0.000 0.217 306 A C 0.117 177.688 177.584 -0.022 0.000 1.153 306 A CA 0.990 53.029 52.037 0.003 0.000 0.692 306 A CB -0.380 18.636 19.000 0.027 0.000 0.799 306 A HN 0.574 nan 8.150 nan 0.000 0.458 307 N N -2.376 116.288 118.700 -0.060 0.000 2.816 307 N HA -0.119 4.621 4.740 0.000 0.000 0.247 307 N C -0.006 175.431 175.510 -0.120 0.000 1.100 307 N CA 0.625 53.616 53.050 -0.099 0.000 0.687 307 N CB -1.886 36.563 38.487 -0.064 0.000 1.003 307 N HN 0.799 nan 8.380 nan 0.000 0.554 308 A N 0.085 122.809 122.820 -0.161 0.000 2.587 308 A HA 0.071 4.391 4.320 0.000 0.000 0.235 308 A C 1.417 178.866 177.584 -0.224 0.000 1.044 308 A CA 0.496 52.438 52.037 -0.159 0.000 0.754 308 A CB 0.305 19.152 19.000 -0.254 0.000 0.968 308 A HN 0.389 nan 8.150 nan 0.000 0.509 309 E N 1.058 121.212 120.200 -0.076 0.000 2.110 309 E HA -0.207 4.143 4.350 0.000 0.000 0.193 309 E C 1.523 178.074 176.600 -0.081 0.000 0.988 309 E CA 2.162 58.523 56.400 -0.065 0.000 0.804 309 E CB -0.532 29.170 29.700 0.004 0.000 0.745 309 E HN 0.968 nan 8.360 nan 0.000 0.458 310 Y N 0.099 120.363 120.300 -0.060 0.000 2.298 310 Y HA -0.167 4.383 4.550 0.000 0.000 0.287 310 Y C 1.692 177.547 175.900 -0.075 0.000 1.164 310 Y CA 0.942 58.997 58.100 -0.074 0.000 1.229 310 Y CB -0.675 37.741 38.460 -0.074 0.000 0.977 310 Y HN 0.010 nan 8.280 nan 0.000 0.538 311 I N 0.387 120.577 120.570 -0.634 0.000 2.202 311 I HA -0.212 3.958 4.170 0.000 0.000 0.242 311 I C 1.909 177.842 176.117 -0.306 0.000 1.091 311 I CA 1.608 62.566 61.300 -0.570 0.000 1.368 311 I CB -0.323 37.233 38.000 -0.741 0.000 1.058 311 I HN 0.080 nan 8.210 nan 0.000 0.410 312 K N 0.186 120.449 120.400 -0.229 0.000 2.305 312 K HA 0.087 4.407 4.320 0.000 0.000 0.199 312 K C 1.948 178.510 176.600 -0.063 0.000 1.047 312 K CA 0.835 57.043 56.287 -0.133 0.000 0.976 312 K CB -0.109 32.323 32.500 -0.114 0.000 0.765 312 K HN 0.228 nan 8.250 nan 0.000 0.474 313 M N 0.587 120.158 119.600 -0.048 0.000 2.077 313 M HA -0.014 4.466 4.480 0.000 0.000 0.261 313 M C 1.031 177.347 176.300 0.026 0.000 1.070 313 M CA 0.788 56.078 55.300 -0.017 0.000 1.125 313 M CB -0.338 32.247 32.600 -0.024 0.000 1.339 313 M HN 0.083 nan 8.290 nan 0.000 0.409 314 A N 1.051 123.910 122.820 0.065 0.000 2.536 314 A HA -0.107 4.213 4.320 0.000 0.000 0.234 314 A C 0.673 178.343 177.584 0.143 0.000 1.076 314 A CA 0.283 52.416 52.037 0.159 0.000 0.769 314 A CB -0.010 19.124 19.000 0.224 0.000 1.020 314 A HN 0.459 nan 8.150 nan 0.000 0.508 315 D N -0.529 119.989 120.400 0.198 0.000 2.183 315 D HA 0.048 4.688 4.640 0.000 0.000 0.205 315 D C -0.164 176.032 176.300 -0.173 0.000 0.962 315 D CA 1.449 55.474 54.000 0.042 0.000 0.849 315 D CB 0.042 40.932 40.800 0.150 0.000 0.978 315 D HN 0.721 nan 8.370 nan 0.000 0.488 316 H N -1.697 117.472 119.070 0.165 0.000 2.851 316 H HA 0.389 4.945 4.556 0.000 0.000 0.372 316 H C -1.064 174.412 175.328 0.247 0.000 1.158 316 H CA -0.935 55.204 56.048 0.152 0.000 1.159 316 H CB 1.441 31.245 29.762 0.070 0.000 1.757 316 H HN -0.058 nan 8.280 nan 0.000 0.546 317 Y N -0.281 120.127 120.300 0.180 0.000 2.504 317 Y HA 0.621 5.171 4.550 0.000 0.000 0.344 317 Y C -1.597 174.377 175.900 0.123 0.000 1.023 317 Y CA -1.457 56.735 58.100 0.153 0.000 1.020 317 Y CB 1.133 39.663 38.460 0.116 0.000 1.282 317 Y HN 0.554 nan 8.280 nan 0.000 0.454 318 V N 1.340 121.345 119.914 0.150 0.000 2.409 318 V HA 0.726 4.846 4.120 0.000 0.000 0.291 318 V C -3.068 173.101 176.094 0.125 0.000 1.020 318 V CA -2.798 59.511 62.300 0.016 0.000 0.848 318 V CB 1.285 33.128 31.823 0.034 0.000 0.990 318 V HN 0.677 nan 8.190 nan 0.000 0.430 319 P HA 0.377 nan 4.420 nan 0.000 0.271 319 P C -0.339 176.998 177.300 0.060 0.000 1.220 319 P CA 0.082 63.260 63.100 0.130 0.000 0.768 319 P CB 1.208 32.967 31.700 0.099 0.000 0.848 320 V N 1.348 121.288 119.914 0.044 0.000 3.074 320 V HA 0.734 4.854 4.120 0.000 0.000 0.314 320 V C -2.764 173.302 176.094 -0.047 0.000 1.117 320 V CA -3.332 58.953 62.300 -0.025 0.000 1.014 320 V CB 1.524 33.296 31.823 -0.085 0.000 1.057 320 V HN 0.239 nan 8.190 nan 0.000 0.438 321 P HA 0.278 nan 4.420 nan 0.000 0.267 321 P C 0.450 177.703 177.300 -0.079 0.000 1.200 321 P CA 0.836 63.902 63.100 -0.057 0.000 0.772 321 P CB 0.445 32.111 31.700 -0.057 0.000 0.855 322 G N 0.990 109.763 108.800 -0.045 0.000 2.485 322 G HA2 0.519 4.479 3.960 0.000 0.000 0.260 322 G HA3 0.519 4.479 3.960 0.000 0.000 0.260 322 G C 0.276 175.150 174.900 -0.042 0.000 1.459 322 G CA -0.042 45.036 45.100 -0.037 0.000 1.060 322 G HN 0.842 nan 8.290 nan 0.000 0.546 323 G N -0.948 107.841 108.800 -0.017 0.000 2.615 323 G HA2 -0.016 3.945 3.960 0.000 0.000 0.218 323 G HA3 -0.016 3.945 3.960 0.000 0.000 0.218 323 G C -2.267 172.624 174.900 -0.014 0.000 1.339 323 G CA -0.096 44.996 45.100 -0.013 0.000 0.884 323 G HN 0.843 nan 8.290 nan 0.000 0.559 324 P HA 0.117 nan 4.420 nan 0.000 0.271 324 P C 1.106 178.378 177.300 -0.047 0.000 1.233 324 P CA 0.372 63.468 63.100 -0.007 0.000 0.789 324 P CB 0.095 31.794 31.700 -0.003 0.000 0.951 325 N N 1.419 120.087 118.700 -0.053 0.000 2.205 325 N HA -0.232 4.508 4.740 0.000 0.000 0.186 325 N C 1.085 176.510 175.510 -0.142 0.000 1.015 325 N CA 0.857 53.819 53.050 -0.148 0.000 0.862 325 N CB -0.677 37.675 38.487 -0.226 0.000 0.986 325 N HN 0.362 nan 8.380 nan 0.000 0.429 326 N N 0.913 119.564 118.700 -0.080 0.000 2.430 326 N HA -0.187 4.553 4.740 0.000 0.000 0.186 326 N C 0.382 175.847 175.510 -0.075 0.000 1.032 326 N CA 1.067 54.079 53.050 -0.063 0.000 0.893 326 N CB -0.657 37.809 38.487 -0.035 0.000 0.957 326 N HN 0.606 nan 8.380 nan 0.000 0.442 327 N N -0.190 118.454 118.700 -0.094 0.000 2.299 327 N HA -0.006 4.734 4.740 0.000 0.000 0.187 327 N C 0.098 175.519 175.510 -0.149 0.000 1.099 327 N CA 0.129 53.121 53.050 -0.097 0.000 0.867 327 N CB 0.178 38.616 38.487 -0.081 0.000 0.974 327 N HN 0.465 nan 8.380 nan 0.000 0.477 328 N N -1.192 117.380 118.700 -0.214 0.000 2.687 328 N HA -0.005 4.735 4.740 0.000 0.000 0.181 328 N C 0.239 175.563 175.510 -0.310 0.000 1.782 328 N CA -0.451 52.395 53.050 -0.340 0.000 1.256 328 N CB -0.345 37.777 38.487 -0.608 0.000 2.068 328 N HN -0.195 nan 8.380 nan 0.000 0.467 329 Y N 0.201 120.398 120.300 -0.171 0.000 2.387 329 Y HA 0.002 4.552 4.550 0.000 0.000 0.280 329 Y C 1.917 177.674 175.900 -0.239 0.000 1.196 329 Y CA 1.262 59.226 58.100 -0.226 0.000 1.322 329 Y CB -0.887 37.335 38.460 -0.397 0.000 0.970 329 Y HN 0.617 nan 8.280 nan 0.000 0.564 330 A N -1.236 121.498 122.820 -0.143 0.000 2.382 330 A HA 0.082 4.402 4.320 0.000 0.000 0.228 330 A C 0.899 178.453 177.584 -0.049 0.000 1.217 330 A CA -0.307 51.691 52.037 -0.066 0.000 0.923 330 A CB -0.044 18.911 19.000 -0.074 0.000 0.979 330 A HN 0.224 nan 8.150 nan 0.000 0.515 331 N N 1.592 120.251 118.700 -0.068 0.000 2.421 331 N HA 0.110 4.850 4.740 0.000 0.000 0.260 331 N C 1.019 176.504 175.510 -0.040 0.000 1.173 331 N CA 0.144 53.162 53.050 -0.054 0.000 0.960 331 N CB 0.929 39.376 38.487 -0.067 0.000 1.273 331 N HN 0.037 nan 8.380 nan 0.000 0.497 332 V N 3.796 123.687 119.914 -0.038 0.000 2.332 332 V HA -0.248 3.872 4.120 0.000 0.000 0.248 332 V C 1.823 177.895 176.094 -0.037 0.000 1.055 332 V CA 1.663 63.937 62.300 -0.044 0.000 1.038 332 V CB -0.385 31.403 31.823 -0.058 0.000 0.651 332 V HN 0.549 nan 8.190 nan 0.000 0.450 333 E N -0.020 120.161 120.200 -0.031 0.000 2.077 333 E HA -0.199 4.151 4.350 0.000 0.000 0.193 333 E C 1.907 178.493 176.600 -0.022 0.000 0.989 333 E CA 0.966 57.352 56.400 -0.025 0.000 0.800 333 E CB -0.577 29.111 29.700 -0.021 0.000 0.746 333 E HN 0.413 nan 8.360 nan 0.000 0.452 334 L N 0.723 121.930 121.223 -0.026 0.000 1.970 334 L HA -0.158 4.182 4.340 0.000 0.000 0.212 334 L C 1.998 178.862 176.870 -0.010 0.000 1.071 334 L CA 1.668 56.493 54.840 -0.024 0.000 0.751 334 L CB -0.770 41.266 42.059 -0.039 0.000 0.889 334 L HN 0.174 nan 8.230 nan 0.000 0.432 335 I N -1.362 119.205 120.570 -0.005 0.000 2.151 335 I HA -0.329 3.841 4.170 0.000 0.000 0.243 335 I C 2.306 178.430 176.117 0.012 0.000 1.080 335 I CA 1.510 62.820 61.300 0.016 0.000 1.339 335 I CB -0.484 37.527 38.000 0.017 0.000 1.039 335 I HN 0.108 nan 8.210 nan 0.000 0.409 336 V N 0.518 120.428 119.914 -0.007 0.000 2.515 336 V HA -0.274 3.846 4.120 0.000 0.000 0.250 336 V C 2.095 178.187 176.094 -0.003 0.000 1.058 336 V CA 2.110 64.405 62.300 -0.008 0.000 1.064 336 V CB -0.689 31.120 31.823 -0.023 0.000 0.675 336 V HN 0.467 nan 8.190 nan 0.000 0.461 337 D N 0.450 120.847 120.400 -0.005 0.000 2.097 337 D HA -0.138 4.502 4.640 0.000 0.000 0.197 337 D C 1.965 178.265 176.300 -0.000 0.000 0.984 337 D CA 1.481 55.478 54.000 -0.005 0.000 0.826 337 D CB -0.116 40.679 40.800 -0.009 0.000 0.973 337 D HN 0.418 nan 8.370 nan 0.000 0.460 338 I N 0.402 120.976 120.570 0.007 0.000 2.315 338 I HA -0.162 4.008 4.170 0.000 0.000 0.248 338 I C 2.483 178.609 176.117 0.016 0.000 1.117 338 I CA 0.856 62.164 61.300 0.013 0.000 1.404 338 I CB -0.420 37.598 38.000 0.030 0.000 1.071 338 I HN 0.040 nan 8.210 nan 0.000 0.419 339 A N 1.057 123.891 122.820 0.022 0.000 1.940 339 A HA -0.235 4.085 4.320 0.000 0.000 0.219 339 A C 2.329 179.918 177.584 0.010 0.000 1.176 339 A CA 1.779 53.831 52.037 0.025 0.000 0.631 339 A CB -0.392 18.627 19.000 0.032 0.000 0.814 339 A HN 0.361 nan 8.150 nan 0.000 0.446 340 K N -1.033 119.369 120.400 0.003 0.000 2.098 340 K HA 0.024 4.344 4.320 0.000 0.000 0.203 340 K C 2.268 178.863 176.600 -0.008 0.000 1.051 340 K CA 0.894 57.179 56.287 -0.002 0.000 0.957 340 K CB -0.105 32.393 32.500 -0.003 0.000 0.738 340 K HN 0.359 nan 8.250 nan 0.000 0.447 341 R N 0.721 121.215 120.500 -0.009 0.000 2.148 341 R HA -0.022 4.318 4.340 0.000 0.000 0.227 341 R C 2.217 178.502 176.300 -0.024 0.000 1.103 341 R CA 0.910 57.001 56.100 -0.015 0.000 0.983 341 R CB -0.348 29.944 30.300 -0.014 0.000 0.874 341 R HN 0.178 nan 8.270 nan 0.000 0.451 342 I N 1.259 121.812 120.570 -0.028 0.000 2.076 342 I HA -0.158 4.012 4.170 0.000 0.000 0.237 342 I C -0.883 175.196 176.117 -0.063 0.000 1.059 342 I CA 0.910 62.178 61.300 -0.052 0.000 1.317 342 I CB -1.207 36.758 38.000 -0.059 0.000 1.037 342 I HN 0.191 nan 8.210 nan 0.000 0.398 343 P HA 0.355 nan 4.420 nan 0.000 0.287 343 P C -1.003 176.271 177.300 -0.043 0.000 1.290 343 P CA -0.193 62.886 63.100 -0.035 0.000 0.889 343 P CB 2.422 34.108 31.700 -0.023 0.000 1.190 344 V N -1.289 118.611 119.914 -0.023 0.000 2.994 344 V HA 0.430 4.550 4.120 0.000 0.000 0.318 344 V C 0.791 176.881 176.094 -0.006 0.000 1.085 344 V CA -0.581 61.705 62.300 -0.023 0.000 0.998 344 V CB 1.412 33.236 31.823 0.002 0.000 1.063 344 V HN 0.365 nan 8.190 nan 0.000 0.447 345 Q N 1.056 120.851 119.800 -0.009 0.000 2.356 345 Q HA 0.689 5.029 4.340 0.000 0.000 0.205 345 Q C 0.427 176.447 176.000 0.032 0.000 0.901 345 Q CA 1.023 56.831 55.803 0.009 0.000 0.938 345 Q CB 0.931 29.671 28.738 0.003 0.000 1.081 345 Q HN 1.154 nan 8.270 nan 0.000 0.517 346 A N -1.058 121.787 122.820 0.042 0.000 2.586 346 A HA 0.740 5.060 4.320 0.000 0.000 0.290 346 A C -1.561 176.098 177.584 0.125 0.000 1.086 346 A CA -0.607 51.480 52.037 0.084 0.000 0.665 346 A CB 1.251 20.293 19.000 0.071 0.000 1.279 346 A HN -0.074 nan 8.150 nan 0.000 0.423 347 V N -0.321 119.707 119.914 0.190 0.000 2.841 347 V HA 0.692 4.812 4.120 0.000 0.000 0.310 347 V C -1.445 174.820 176.094 0.285 0.000 1.090 347 V CA -0.234 62.214 62.300 0.245 0.000 0.930 347 V CB 2.057 34.024 31.823 0.241 0.000 1.014 347 V HN 1.038 nan 8.190 nan 0.000 0.425 348 W N 3.753 125.093 121.300 0.065 0.000 2.739 348 W HA 0.710 5.370 4.660 0.000 0.000 0.331 348 W C 0.049 176.560 176.519 -0.014 0.000 1.049 348 W CA -0.105 57.215 57.345 -0.041 0.000 1.234 348 W CB 2.188 31.621 29.460 -0.045 0.000 1.404 348 W HN 0.635 nan 8.180 nan 0.000 0.477 349 A N 4.415 126.866 122.820 -0.615 0.000 2.390 349 A HA 0.516 4.836 4.320 0.000 0.000 0.225 349 A C 1.483 178.355 177.584 -1.186 0.000 1.232 349 A CA 0.891 52.585 52.037 -0.572 0.000 0.964 349 A CB -0.545 18.354 19.000 -0.168 0.000 1.064 349 A HN 1.631 nan 8.150 nan 0.000 0.525 350 G N 0.024 107.630 108.800 -1.990 0.000 2.793 350 G HA2 -0.332 3.628 3.960 0.000 0.000 0.334 350 G HA3 -0.332 3.628 3.960 0.000 0.000 0.334 350 G C 0.165 174.763 174.900 -0.503 0.000 1.186 350 G CA 1.390 45.545 45.100 -1.574 0.000 0.960 350 G HN 1.756 nan 8.290 nan 0.000 0.562 351 W N -0.910 120.142 121.300 -0.413 0.000 3.031 351 W HA 0.699 5.359 4.660 0.000 0.000 0.337 351 W C 0.446 176.814 176.519 -0.251 0.000 1.187 351 W CA -0.691 56.508 57.345 -0.243 0.000 1.166 351 W CB 0.910 30.282 29.460 -0.146 0.000 1.437 351 W HN 2.377 nan 8.180 nan 0.000 0.551 352 G N 0.945 109.736 108.800 -0.016 0.000 2.787 352 G HA2 0.022 3.982 3.960 0.000 0.000 0.685 352 G HA3 0.022 3.982 3.960 0.000 0.000 0.685 352 G C -0.193 174.599 174.900 -0.180 0.000 1.437 352 G CA 0.373 45.374 45.100 -0.166 0.000 0.872 352 G HN 1.712 nan 8.290 nan 0.000 0.566 353 H N -1.059 118.003 119.070 -0.013 0.000 1.452 353 H HA -0.180 4.376 4.556 0.000 0.000 0.090 353 H C 2.097 177.410 175.328 -0.025 0.000 1.168 353 H CA 1.089 57.131 56.048 -0.009 0.000 1.901 353 H CB -1.230 28.529 29.762 -0.004 0.000 2.257 353 H HN 2.046 nan 8.280 nan 0.000 0.961 354 A N 0.938 123.840 122.820 0.137 0.000 2.258 354 A HA 0.009 4.329 4.320 0.000 0.000 0.206 354 A C 2.086 179.662 177.584 -0.014 0.000 1.222 354 A CA 1.129 53.180 52.037 0.024 0.000 0.822 354 A CB -0.771 18.226 19.000 -0.005 0.000 0.804 354 A HN 0.590 nan 8.150 nan 0.000 0.483 355 S N 0.249 115.940 115.700 -0.014 0.000 2.400 355 S HA -0.194 4.276 4.470 0.000 0.000 0.232 355 S C 1.081 175.683 174.600 0.004 0.000 1.025 355 S CA 1.579 59.761 58.200 -0.030 0.000 0.993 355 S CB -0.284 62.861 63.200 -0.092 0.000 0.808 355 S HN 0.702 nan 8.310 nan 0.000 0.478 356 E N 1.017 121.208 120.200 -0.016 0.000 2.501 356 E HA 0.242 4.592 4.350 0.000 0.000 0.200 356 E C -0.345 176.205 176.600 -0.084 0.000 1.016 356 E CA -0.342 56.041 56.400 -0.028 0.000 0.921 356 E CB 0.153 29.850 29.700 -0.005 0.000 1.034 356 E HN 0.372 nan 8.360 nan 0.000 0.468 357 N N 2.283 120.914 118.700 -0.114 0.000 2.437 357 N HA 0.065 4.805 4.740 0.000 0.000 0.243 357 N C -1.603 173.728 175.510 -0.298 0.000 1.041 357 N CA -2.256 50.697 53.050 -0.162 0.000 0.940 357 N CB 1.092 39.514 38.487 -0.109 0.000 1.133 357 N HN -0.114 nan 8.380 nan 0.000 0.506 358 P HA -0.153 nan 4.420 nan 0.000 0.223 358 P C 0.391 177.340 177.300 -0.585 0.000 1.144 358 P CA 1.156 63.810 63.100 -0.743 0.000 0.783 358 P CB 0.438 31.243 31.700 -1.492 0.000 0.771 359 K N -1.030 119.161 120.400 -0.347 0.000 2.439 359 K HA -0.051 4.269 4.320 0.000 0.000 0.197 359 K C 1.967 178.445 176.600 -0.203 0.000 1.041 359 K CA 0.282 56.473 56.287 -0.161 0.000 0.970 359 K CB -0.354 32.122 32.500 -0.041 0.000 0.773 359 K HN 0.107 nan 8.250 nan 0.000 0.479 360 L N 1.821 122.859 121.223 -0.309 0.000 2.034 360 L HA -0.013 4.327 4.340 0.000 0.000 0.203 360 L C -1.305 175.273 176.870 -0.486 0.000 1.074 360 L CA 1.353 55.978 54.840 -0.359 0.000 0.748 360 L CB -0.762 41.050 42.059 -0.412 0.000 0.905 360 L HN -0.019 nan 8.230 nan 0.000 0.439 361 P HA -0.216 nan 4.420 nan 0.000 0.217 361 P C 1.354 178.476 177.300 -0.297 0.000 1.150 361 P CA 1.532 64.234 63.100 -0.663 0.000 0.832 361 P CB 0.053 31.326 31.700 -0.711 0.000 0.787 362 E N 0.199 120.246 120.200 -0.254 0.000 2.021 362 E HA -0.182 4.168 4.350 0.000 0.000 0.200 362 E C 2.238 178.795 176.600 -0.071 0.000 1.015 362 E CA 1.161 57.497 56.400 -0.106 0.000 0.824 362 E CB -0.678 28.998 29.700 -0.040 0.000 0.762 362 E HN 0.096 nan 8.360 nan 0.000 0.454 363 L N 0.520 121.693 121.223 -0.084 0.000 2.131 363 L HA -0.203 4.137 4.340 0.000 0.000 0.210 363 L C 2.500 179.335 176.870 -0.057 0.000 1.092 363 L CA 0.682 55.488 54.840 -0.056 0.000 0.759 363 L CB -0.172 41.853 42.059 -0.057 0.000 0.903 363 L HN 0.322 nan 8.230 nan 0.000 0.435 364 L N -1.531 119.638 121.223 -0.091 0.000 2.005 364 L HA -0.301 4.039 4.340 0.000 0.000 0.207 364 L C 2.796 179.651 176.870 -0.024 0.000 1.072 364 L CA 1.287 56.094 54.840 -0.055 0.000 0.744 364 L CB -0.667 41.350 42.059 -0.071 0.000 0.895 364 L HN 0.402 nan 8.230 nan 0.000 0.433 365 C N 0.333 119.615 119.300 -0.030 0.000 2.425 365 C HA -0.183 4.277 4.460 0.000 0.000 0.277 365 C C 2.807 177.797 174.990 0.000 0.000 1.280 365 C CA 0.834 59.850 59.018 -0.005 0.000 1.744 365 C CB -0.716 27.021 27.740 -0.005 0.000 1.989 365 C HN 0.381 nan 8.230 nan 0.000 0.491 366 K N 0.049 120.447 120.400 -0.005 0.000 2.585 366 K HA -0.059 4.261 4.320 0.000 0.000 0.194 366 K C 0.360 176.961 176.600 0.002 0.000 1.037 366 K CA 1.102 57.390 56.287 0.002 0.000 0.964 366 K CB -0.250 32.251 32.500 0.003 0.000 0.787 366 K HN 0.608 nan 8.250 nan 0.000 0.488 367 N N -1.065 117.635 118.700 0.000 0.000 2.194 367 N HA 0.122 4.862 4.740 0.000 0.000 0.231 367 N C -0.407 175.107 175.510 0.007 0.000 1.247 367 N CA 0.434 53.485 53.050 0.002 0.000 0.884 367 N CB 1.738 40.224 38.487 -0.002 0.000 1.146 367 N HN 0.182 nan 8.380 nan 0.000 0.516 368 G N 0.631 109.437 108.800 0.010 0.000 2.295 368 G HA2 -0.229 3.731 3.960 0.000 0.000 0.287 368 G HA3 -0.229 3.731 3.960 0.000 0.000 0.287 368 G C -0.513 174.400 174.900 0.021 0.000 1.055 368 G CA 0.187 45.297 45.100 0.016 0.000 0.922 368 G HN 0.183 nan 8.290 nan 0.000 0.503 369 V N 0.360 120.288 119.914 0.025 0.000 2.407 369 V HA 0.766 4.886 4.120 0.000 0.000 0.291 369 V C 0.815 176.947 176.094 0.063 0.000 1.018 369 V CA -0.486 61.837 62.300 0.038 0.000 0.842 369 V CB 1.356 33.199 31.823 0.034 0.000 0.996 369 V HN 1.129 nan 8.190 nan 0.000 0.426 370 A N 4.779 127.644 122.820 0.075 0.000 2.386 370 A HA 0.652 4.972 4.320 0.000 0.000 0.246 370 A C -0.826 176.871 177.584 0.189 0.000 1.089 370 A CA 0.144 52.242 52.037 0.101 0.000 0.790 370 A CB 0.256 19.297 19.000 0.068 0.000 1.042 370 A HN 0.784 nan 8.150 nan 0.000 0.497 371 F N 0.799 120.737 119.950 -0.021 0.000 2.518 371 F HA 0.525 5.052 4.527 0.000 0.000 0.323 371 F C -0.804 174.980 175.800 -0.026 0.000 1.129 371 F CA -1.276 56.706 58.000 -0.029 0.000 0.920 371 F CB 1.548 40.507 39.000 -0.069 0.000 1.160 371 F HN 0.267 nan 8.300 nan 0.000 0.440 372 L N 6.349 127.214 121.223 -0.596 0.000 2.437 372 L HA 0.589 4.929 4.340 0.000 0.000 0.243 372 L C 0.426 176.748 176.870 -0.913 0.000 1.346 372 L CA 0.301 54.852 54.840 -0.482 0.000 1.233 372 L CB -0.524 41.499 42.059 -0.060 0.000 1.436 372 L HN 0.779 nan 8.230 nan 0.000 0.416 373 G N 0.453 108.676 108.800 -0.962 0.000 2.356 373 G HA2 0.372 4.332 3.960 0.000 0.000 0.294 373 G HA3 0.372 4.332 3.960 0.000 0.000 0.294 373 G C -3.298 171.423 174.900 -0.299 0.000 1.423 373 G CA -0.790 43.876 45.100 -0.724 0.000 0.806 373 G HN -0.085 nan 8.290 nan 0.000 0.527 374 P HA 0.241 nan 4.420 nan 0.000 0.268 374 P C -2.514 174.755 177.300 -0.052 0.000 1.208 374 P CA -0.719 62.167 63.100 -0.357 0.000 0.777 374 P CB 0.543 31.824 31.700 -0.697 0.000 0.875 375 P HA 0.003 nan 4.420 nan 0.000 0.274 375 P C 1.084 178.315 177.300 -0.116 0.000 1.237 375 P CA -0.082 62.990 63.100 -0.047 0.000 0.793 375 P CB 0.368 32.042 31.700 -0.042 0.000 0.977 376 S N 0.958 116.555 115.700 -0.171 0.000 2.402 376 S HA -0.237 4.233 4.470 0.000 0.000 0.233 376 S C 1.459 175.917 174.600 -0.236 0.000 1.030 376 S CA 1.464 59.453 58.200 -0.353 0.000 1.003 376 S CB -1.060 61.930 63.200 -0.351 0.000 0.813 376 S HN 0.408 nan 8.310 nan 0.000 0.477 377 E N 2.600 122.814 120.200 0.023 0.000 2.058 377 E HA 0.003 4.353 4.350 0.000 0.000 0.194 377 E C 2.387 179.063 176.600 0.127 0.000 0.997 377 E CA 1.379 57.878 56.400 0.165 0.000 0.801 377 E CB -0.943 28.829 29.700 0.119 0.000 0.746 377 E HN 0.671 nan 8.360 nan 0.000 0.450 378 A N 0.556 123.400 122.820 0.040 0.000 1.877 378 A HA -0.192 4.128 4.320 0.000 0.000 0.216 378 A C 2.226 179.860 177.584 0.084 0.000 1.186 378 A CA 1.863 53.939 52.037 0.065 0.000 0.620 378 A CB -0.552 18.451 19.000 0.004 0.000 0.822 378 A HN 0.196 nan 8.150 nan 0.000 0.443 379 M N -2.304 117.287 119.600 -0.016 0.000 2.159 379 M HA -0.168 4.312 4.480 0.000 0.000 0.263 379 M C 2.178 178.503 176.300 0.041 0.000 1.063 379 M CA 1.350 56.625 55.300 -0.043 0.000 1.110 379 M CB -0.365 32.100 32.600 -0.224 0.000 1.374 379 M HN 0.651 nan 8.290 nan 0.000 0.411 380 W N 0.283 121.589 121.300 0.010 0.000 2.352 380 W HA -0.163 4.497 4.660 0.000 0.000 0.322 380 W C 2.695 179.213 176.519 -0.003 0.000 1.208 380 W CA 0.591 57.932 57.345 -0.006 0.000 1.286 380 W CB -0.405 29.045 29.460 -0.016 0.000 1.167 380 W HN 0.174 nan 8.180 nan 0.000 0.469 381 A N -0.140 122.846 122.820 0.277 0.000 2.139 381 A HA -0.228 4.092 4.320 0.000 0.000 0.221 381 A C 1.778 179.418 177.584 0.094 0.000 1.159 381 A CA 1.779 53.900 52.037 0.139 0.000 0.662 381 A CB -0.686 18.377 19.000 0.105 0.000 0.796 381 A HN 0.386 nan 8.150 nan 0.000 0.463 382 L N -1.951 119.345 121.223 0.121 0.000 2.200 382 L HA 0.390 4.730 4.340 0.000 0.000 0.200 382 L C 1.505 178.436 176.870 0.101 0.000 1.072 382 L CA 1.739 56.630 54.840 0.085 0.000 0.787 382 L CB -0.735 41.384 42.059 0.100 0.000 0.957 382 L HN 0.711 nan 8.230 nan 0.000 0.459 383 G N -0.176 108.714 108.800 0.151 0.000 2.641 383 G HA2 -0.345 3.615 3.960 0.000 0.000 0.254 383 G HA3 -0.345 3.615 3.960 0.000 0.000 0.254 383 G C -0.487 174.488 174.900 0.126 0.000 1.315 383 G CA 0.159 45.361 45.100 0.169 0.000 0.907 383 G HN 0.692 nan 8.290 nan 0.000 0.572 384 D N -0.296 120.188 120.400 0.140 0.000 2.376 384 D HA 0.446 5.086 4.640 0.000 0.000 0.268 384 D C 1.620 177.924 176.300 0.007 0.000 1.252 384 D CA 0.282 54.337 54.000 0.093 0.000 1.041 384 D CB 0.166 41.049 40.800 0.138 0.000 1.109 384 D HN 0.753 nan 8.370 nan 0.000 0.552 385 K N -0.255 120.084 120.400 -0.101 0.000 2.057 385 K HA -0.115 4.205 4.320 0.000 0.000 0.207 385 K C 1.860 178.187 176.600 -0.454 0.000 1.049 385 K CA 1.432 57.549 56.287 -0.284 0.000 0.931 385 K CB -0.719 31.535 32.500 -0.410 0.000 0.714 385 K HN 0.563 nan 8.250 nan 0.000 0.440 386 I N 1.065 121.347 120.570 -0.480 0.000 2.091 386 I HA -0.316 3.854 4.170 0.000 0.000 0.239 386 I C 2.552 178.627 176.117 -0.069 0.000 1.061 386 I CA 1.569 62.647 61.300 -0.370 0.000 1.317 386 I CB -0.691 37.077 38.000 -0.386 0.000 1.031 386 I HN 0.381 nan 8.210 nan 0.000 0.401 387 A N 0.908 123.798 122.820 0.117 0.000 1.858 387 A HA -0.237 4.083 4.320 0.000 0.000 0.216 387 A C 2.525 180.128 177.584 0.032 0.000 1.190 387 A CA 2.474 54.615 52.037 0.173 0.000 0.617 387 A CB -1.093 18.040 19.000 0.221 0.000 0.827 387 A HN 0.543 nan 8.150 nan 0.000 0.443 388 S N -0.682 115.015 115.700 -0.005 0.000 2.383 388 S HA -0.173 4.297 4.470 0.000 0.000 0.229 388 S C 1.807 176.298 174.600 -0.181 0.000 1.030 388 S CA 2.045 60.211 58.200 -0.057 0.000 1.002 388 S CB -1.303 61.942 63.200 0.075 0.000 0.829 388 S HN 0.517 nan 8.310 nan 0.000 0.467 389 T N 2.104 116.569 114.554 -0.147 0.000 2.821 389 T HA 0.021 4.371 4.350 0.000 0.000 0.267 389 T C 1.900 176.576 174.700 -0.041 0.000 1.046 389 T CA 1.227 63.213 62.100 -0.190 0.000 1.139 389 T CB -0.567 67.957 68.868 -0.573 0.000 0.871 389 T HN 0.291 nan 8.240 nan 0.000 0.454 390 V N 1.436 121.387 119.914 0.061 0.000 2.295 390 V HA -0.157 3.963 4.120 0.000 0.000 0.246 390 V C 2.693 178.757 176.094 -0.049 0.000 1.049 390 V CA 1.364 63.722 62.300 0.096 0.000 1.024 390 V CB -0.703 31.185 31.823 0.108 0.000 0.648 390 V HN 0.327 nan 8.190 nan 0.000 0.447 391 V N 0.371 120.205 119.914 -0.133 0.000 2.343 391 V HA -0.261 3.859 4.120 0.000 0.000 0.247 391 V C 2.690 178.599 176.094 -0.308 0.000 1.051 391 V CA 1.983 64.142 62.300 -0.236 0.000 1.036 391 V CB -1.252 30.417 31.823 -0.258 0.000 0.654 391 V HN 0.559 nan 8.190 nan 0.000 0.451 392 A N -0.756 121.800 122.820 -0.441 0.000 1.877 392 A HA -0.290 4.030 4.320 0.000 0.000 0.216 392 A C 2.210 179.660 177.584 -0.224 0.000 1.186 392 A CA 1.987 53.709 52.037 -0.524 0.000 0.620 392 A CB -0.510 17.903 19.000 -0.979 0.000 0.822 392 A HN 0.600 nan 8.150 nan 0.000 0.443 393 Q N -0.933 118.796 119.800 -0.117 0.000 2.084 393 Q HA -0.133 4.207 4.340 0.000 0.000 0.202 393 Q C 2.226 178.214 176.000 -0.021 0.000 0.978 393 Q CA 1.993 57.791 55.803 -0.007 0.000 0.844 393 Q CB -0.379 28.407 28.738 0.081 0.000 0.898 393 Q HN 0.698 nan 8.270 nan 0.000 0.426 394 T N 1.423 115.941 114.554 -0.059 0.000 2.652 394 T HA -0.120 4.230 4.350 0.000 0.000 0.267 394 T C 1.565 176.243 174.700 -0.036 0.000 1.039 394 T CA 0.986 63.056 62.100 -0.050 0.000 1.153 394 T CB -0.200 68.597 68.868 -0.118 0.000 0.863 394 T HN 0.222 nan 8.240 nan 0.000 0.428 395 L N 0.906 122.074 121.223 -0.093 0.000 2.675 395 L HA 0.082 4.422 4.340 0.000 0.000 0.238 395 L C 0.399 177.276 176.870 0.012 0.000 1.155 395 L CA 0.357 55.174 54.840 -0.039 0.000 0.881 395 L CB -0.886 41.115 42.059 -0.096 0.000 1.008 395 L HN 0.409 nan 8.230 nan 0.000 0.443 396 Q N -0.525 119.282 119.800 0.012 0.000 2.464 396 Q HA -0.147 4.193 4.340 0.000 0.000 0.304 396 Q C -0.881 175.145 176.000 0.042 0.000 1.401 396 Q CA -0.011 55.817 55.803 0.042 0.000 0.806 396 Q CB -1.590 27.194 28.738 0.076 0.000 1.134 396 Q HN 0.249 nan 8.270 nan 0.000 0.411 397 V N 0.584 120.506 119.914 0.013 0.000 2.417 397 V HA 0.406 4.526 4.120 0.000 0.000 0.291 397 V C -1.873 174.251 176.094 0.049 0.000 1.024 397 V CA -1.882 60.444 62.300 0.045 0.000 0.861 397 V CB 1.663 33.513 31.823 0.046 0.000 0.985 397 V HN 0.110 nan 8.190 nan 0.000 0.436 398 P HA 0.199 nan 4.420 nan 0.000 0.264 398 P C -0.197 177.224 177.300 0.202 0.000 1.183 398 P CA 0.380 63.464 63.100 -0.027 0.000 0.763 398 P CB 0.348 31.797 31.700 -0.418 0.000 0.807 399 T N 0.049 114.782 114.554 0.298 0.000 2.883 399 T HA 0.565 4.915 4.350 0.000 0.000 0.296 399 T C -0.234 174.599 174.700 0.223 0.000 1.117 399 T CA -1.065 61.217 62.100 0.302 0.000 1.006 399 T CB 0.695 69.700 68.868 0.229 0.000 1.191 399 T HN 0.057 nan 8.240 nan 0.000 0.508 400 L N 1.506 122.771 121.223 0.070 0.000 2.417 400 L HA 0.372 4.712 4.340 0.000 0.000 0.268 400 L C -2.185 174.792 176.870 0.177 0.000 1.158 400 L CA -2.187 52.625 54.840 -0.047 0.000 0.819 400 L CB 0.387 42.401 42.059 -0.074 0.000 1.112 400 L HN 0.471 nan 8.230 nan 0.000 0.458 401 P HA -0.037 nan 4.420 nan 0.000 0.263 401 P C -1.051 176.452 177.300 0.338 0.000 1.195 401 P CA 0.259 63.477 63.100 0.196 0.000 0.762 401 P CB 0.277 32.018 31.700 0.068 0.000 0.799 402 W N 0.821 122.136 121.300 0.025 0.000 2.961 402 W HA 0.274 4.934 4.660 0.000 0.000 0.368 402 W C 0.657 177.208 176.519 0.052 0.000 1.213 402 W CA -0.697 56.688 57.345 0.068 0.000 1.173 402 W CB -0.114 29.421 29.460 0.125 0.000 1.487 402 W HN 0.328 nan 8.180 nan 0.000 0.585 403 S N -0.082 115.667 115.700 0.082 0.000 2.440 403 S HA -0.031 4.439 4.470 0.000 0.000 0.238 403 S C 1.381 175.595 174.600 -0.644 0.000 1.010 403 S CA 1.656 59.763 58.200 -0.155 0.000 0.972 403 S CB -0.735 62.535 63.200 0.116 0.000 0.774 403 S HN 0.941 nan 8.310 nan 0.000 0.501 404 G N 0.353 108.102 108.800 -1.752 0.000 3.324 404 G HA2 0.353 4.313 3.960 0.000 0.000 0.251 404 G HA3 0.353 4.313 3.960 0.000 0.000 0.251 404 G C -0.014 173.925 174.900 -1.602 0.000 1.072 404 G CA -0.441 43.443 45.100 -2.027 0.000 0.787 404 G HN 0.411 nan 8.290 nan 0.000 0.537 405 S N 0.158 115.006 115.700 -1.420 0.000 2.573 405 S HA 0.375 4.845 4.470 0.000 0.000 0.297 405 S C 1.616 176.055 174.600 -0.268 0.000 1.280 405 S CA 1.160 59.059 58.200 -0.501 0.000 1.061 405 S CB 0.749 63.814 63.200 -0.225 0.000 0.812 405 S HN 1.296 nan 8.310 nan 0.000 0.500 406 G N 1.903 110.649 108.800 -0.090 0.000 2.268 406 G HA2 -0.231 3.729 3.960 0.000 0.000 0.240 406 G HA3 -0.231 3.729 3.960 0.000 0.000 0.240 406 G C 0.046 174.913 174.900 -0.054 0.000 1.010 406 G CA -0.130 44.932 45.100 -0.063 0.000 0.618 406 G HN 0.612 nan 8.290 nan 0.000 0.516 407 L N 2.158 123.328 121.223 -0.087 0.000 2.453 407 L HA 0.566 4.906 4.340 0.000 0.000 0.272 407 L C 1.114 177.989 176.870 0.008 0.000 1.182 407 L CA 0.712 55.522 54.840 -0.050 0.000 0.858 407 L CB 0.933 42.942 42.059 -0.083 0.000 1.120 407 L HN 0.563 nan 8.230 nan 0.000 0.474 408 T N -0.011 114.550 114.554 0.011 0.000 2.754 408 T HA 0.790 5.140 4.350 0.000 0.000 0.296 408 T C -0.668 174.047 174.700 0.025 0.000 1.205 408 T CA -0.732 61.380 62.100 0.019 0.000 1.009 408 T CB 1.851 70.734 68.868 0.024 0.000 1.368 408 T HN 0.210 nan 8.240 nan 0.000 0.509 409 V N 0.572 120.503 119.914 0.028 0.000 3.130 409 V HA 0.604 4.724 4.120 0.000 0.000 0.310 409 V C -1.044 175.110 176.094 0.099 0.000 1.158 409 V CA -1.287 61.043 62.300 0.051 0.000 1.029 409 V CB 2.088 33.931 31.823 0.033 0.000 1.057 409 V HN 1.066 nan 8.190 nan 0.000 0.436 410 E N 1.518 121.797 120.200 0.131 0.000 2.338 410 E HA 0.315 4.665 4.350 0.000 0.000 0.272 410 E C -0.766 176.036 176.600 0.336 0.000 1.029 410 E CA -0.011 56.494 56.400 0.176 0.000 0.872 410 E CB 1.242 31.015 29.700 0.122 0.000 1.015 410 E HN 0.676 nan 8.360 nan 0.000 0.417 419 G N 2.055 110.845 108.800 -0.018 0.000 2.483 419 G HA2 0.035 3.995 3.960 0.000 0.000 0.521 419 G HA3 0.035 3.995 3.960 0.000 0.000 0.521 419 G C -1.294 173.628 174.900 0.037 0.000 1.278 419 G CA 0.014 45.129 45.100 0.026 0.000 0.965 419 G HN 0.676 nan 8.290 nan 0.000 0.504 420 K N -1.006 119.440 120.400 0.077 0.000 6.691 420 K HA -0.108 4.212 4.320 0.000 0.000 0.741 420 K C 0.638 177.388 176.600 0.250 0.000 2.096 420 K CA 1.763 58.121 56.287 0.119 0.000 1.671 420 K CB -0.852 31.693 32.500 0.075 0.000 1.891 420 K HN 1.457 nan 8.250 nan 0.000 0.314 421 R N 4.670 125.317 120.500 0.244 0.000 2.615 421 R HA 0.427 4.767 4.340 0.000 0.000 0.270 421 R C 0.672 177.157 176.300 0.308 0.000 1.081 421 R CA -0.434 55.844 56.100 0.296 0.000 1.154 421 R CB 0.669 31.067 30.300 0.164 0.000 1.063 421 R HN 0.591 nan 8.270 nan 0.000 0.519 422 I N 0.897 121.517 120.570 0.083 0.000 2.836 422 I HA -0.003 4.167 4.170 0.000 0.000 0.285 422 I C -0.337 175.746 176.117 -0.057 0.000 1.174 422 I CA 0.722 61.889 61.300 -0.222 0.000 1.405 422 I CB 1.117 38.581 38.000 -0.893 0.000 1.385 422 I HN 0.786 nan 8.210 nan 0.000 0.594 423 S N 5.157 120.849 115.700 -0.014 0.000 2.546 423 S HA 0.518 4.988 4.470 0.000 0.000 0.272 423 S C -1.158 173.446 174.600 0.006 0.000 1.140 423 S CA -0.671 57.534 58.200 0.009 0.000 0.920 423 S CB 1.521 64.745 63.200 0.040 0.000 1.083 423 S HN 0.365 nan 8.310 nan 0.000 0.476 424 V N 5.698 125.618 119.914 0.010 0.000 2.364 424 V HA 0.415 4.535 4.120 0.000 0.000 0.272 424 V C -2.127 173.991 176.094 0.040 0.000 1.036 424 V CA -1.669 60.654 62.300 0.038 0.000 0.880 424 V CB 0.721 32.593 31.823 0.081 0.000 0.991 424 V HN 0.754 nan 8.190 nan 0.000 0.460 425 P HA 0.049 nan 4.420 nan 0.000 0.266 425 P C 0.953 178.285 177.300 0.053 0.000 1.195 425 P CA -0.012 63.110 63.100 0.035 0.000 0.768 425 P CB 0.697 32.422 31.700 0.041 0.000 0.838 426 E N 1.987 122.195 120.200 0.013 0.000 2.209 426 E HA -0.276 4.074 4.350 0.000 0.000 0.196 426 E C 0.888 177.542 176.600 0.090 0.000 0.993 426 E CA 1.733 58.142 56.400 0.016 0.000 0.819 426 E CB 0.063 29.743 29.700 -0.033 0.000 0.745 426 E HN 0.630 nan 8.360 nan 0.000 0.477 427 D N -1.102 119.338 120.400 0.068 0.000 2.162 427 D HA -0.120 4.520 4.640 0.000 0.000 0.203 427 D C 1.906 178.254 176.300 0.080 0.000 0.967 427 D CA 0.728 54.768 54.000 0.067 0.000 0.840 427 D CB -0.176 40.647 40.800 0.039 0.000 0.972 427 D HN 0.065 nan 8.370 nan 0.000 0.482 428 V N -0.131 119.834 119.914 0.084 0.000 2.548 428 V HA -0.194 3.926 4.120 0.000 0.000 0.249 428 V C 2.108 178.263 176.094 0.103 0.000 1.055 428 V CA 1.340 63.682 62.300 0.070 0.000 1.065 428 V CB -0.918 30.943 31.823 0.063 0.000 0.681 428 V HN 0.268 nan 8.190 nan 0.000 0.462 429 Y N 1.519 121.833 120.300 0.024 0.000 2.145 429 Y HA -0.242 4.308 4.550 0.000 0.000 0.286 429 Y C 2.385 178.316 175.900 0.052 0.000 1.145 429 Y CA 2.023 60.150 58.100 0.045 0.000 1.148 429 Y CB -0.257 38.226 38.460 0.039 0.000 0.981 429 Y HN 0.308 nan 8.280 nan 0.000 0.507 430 D N 0.232 120.769 120.400 0.229 0.000 2.218 430 D HA -0.155 4.485 4.640 0.000 0.000 0.204 430 D C 1.577 177.885 176.300 0.013 0.000 0.976 430 D CA 1.210 55.287 54.000 0.128 0.000 0.853 430 D CB -0.168 40.717 40.800 0.142 0.000 0.939 430 D HN 0.478 nan 8.370 nan 0.000 0.481 431 K N 0.209 120.600 120.400 -0.014 0.000 2.555 431 K HA 0.013 4.333 4.320 0.000 0.000 0.193 431 K C 1.724 178.237 176.600 -0.146 0.000 1.032 431 K CA 0.447 56.695 56.287 -0.064 0.000 1.004 431 K CB 0.214 32.677 32.500 -0.062 0.000 0.804 431 K HN 0.062 nan 8.250 nan 0.000 0.496 432 G N -0.066 108.631 108.800 -0.172 0.000 3.044 432 G HA2 0.008 3.968 3.960 0.000 0.000 0.223 432 G HA3 0.008 3.968 3.960 0.000 0.000 0.223 432 G C 0.544 175.405 174.900 -0.066 0.000 1.123 432 G CA -0.282 44.664 45.100 -0.257 0.000 0.765 432 G HN 0.161 nan 8.290 nan 0.000 0.546 433 C N -0.462 118.824 119.300 -0.025 0.000 2.536 433 C HA 0.782 5.242 4.460 0.000 0.000 0.385 433 C C 0.147 175.215 174.990 0.129 0.000 2.253 433 C CA -0.496 58.585 59.018 0.106 0.000 1.823 433 C CB 1.059 28.860 27.740 0.101 0.000 2.000 433 C HN 0.421 nan 8.230 nan 0.000 0.444 434 V N -0.592 119.443 119.914 0.202 0.000 2.697 434 V HA 0.427 4.547 4.120 0.000 0.000 0.300 434 V C -0.039 176.220 176.094 0.276 0.000 1.115 434 V CA -0.586 61.836 62.300 0.203 0.000 0.912 434 V CB 0.899 32.884 31.823 0.270 0.000 1.024 434 V HN 1.013 nan 8.190 nan 0.000 0.431 435 K N 2.276 122.780 120.400 0.173 0.000 2.186 435 K HA 0.241 4.561 4.320 0.000 0.000 0.202 435 K C 0.087 176.812 176.600 0.210 0.000 1.052 435 K CA 1.106 57.507 56.287 0.190 0.000 0.965 435 K CB 0.122 32.687 32.500 0.109 0.000 0.746 435 K HN 0.888 nan 8.250 nan 0.000 0.457 436 D N -1.291 119.129 120.400 0.033 0.000 2.664 436 D HA 0.093 4.733 4.640 0.000 0.000 0.292 436 D C 0.726 176.742 176.300 -0.473 0.000 1.214 436 D CA -0.841 53.097 54.000 -0.104 0.000 0.932 436 D CB 1.007 41.800 40.800 -0.011 0.000 1.420 436 D HN -0.242 nan 8.370 nan 0.000 0.471 437 V N 0.152 119.836 119.914 -0.382 0.000 2.490 437 V HA -0.182 3.938 4.120 0.000 0.000 0.250 437 V C 1.378 177.366 176.094 -0.177 0.000 1.061 437 V CA 2.029 64.171 62.300 -0.264 0.000 1.064 437 V CB -0.777 31.031 31.823 -0.025 0.000 0.670 437 V HN 0.543 nan 8.190 nan 0.000 0.461 438 D N 0.689 121.007 120.400 -0.137 0.000 2.088 438 D HA -0.210 4.430 4.640 0.000 0.000 0.191 438 D C 2.274 178.488 176.300 -0.144 0.000 0.992 438 D CA 1.994 55.927 54.000 -0.111 0.000 0.831 438 D CB -0.240 40.520 40.800 -0.068 0.000 0.973 438 D HN 0.782 nan 8.370 nan 0.000 0.447 439 E N 0.004 120.124 120.200 -0.134 0.000 2.299 439 E HA 0.008 4.358 4.350 0.000 0.000 0.193 439 E C 2.062 178.565 176.600 -0.163 0.000 0.998 439 E CA 0.927 57.254 56.400 -0.123 0.000 0.851 439 E CB -0.306 29.352 29.700 -0.069 0.000 0.795 439 E HN 0.188 nan 8.360 nan 0.000 0.492 440 G N 2.078 110.750 108.800 -0.214 0.000 2.433 440 G HA2 -0.223 3.737 3.960 0.000 0.000 0.216 440 G HA3 -0.223 3.737 3.960 0.000 0.000 0.216 440 G C 1.617 176.167 174.900 -0.583 0.000 1.186 440 G CA 0.797 45.780 45.100 -0.195 0.000 0.779 440 G HN 0.201 nan 8.290 nan 0.000 0.543 441 L N 0.106 120.878 121.223 -0.752 0.000 2.127 441 L HA -0.096 4.244 4.340 0.000 0.000 0.211 441 L C 2.915 179.531 176.870 -0.424 0.000 1.089 441 L CA 0.989 55.373 54.840 -0.760 0.000 0.757 441 L CB -0.254 41.543 42.059 -0.438 0.000 0.899 441 L HN 0.202 nan 8.230 nan 0.000 0.434 442 E N 0.430 120.456 120.200 -0.290 0.000 2.012 442 E HA -0.266 4.084 4.350 0.000 0.000 0.197 442 E C 2.215 178.694 176.600 -0.202 0.000 1.007 442 E CA 1.782 58.064 56.400 -0.197 0.000 0.816 442 E CB -0.168 29.445 29.700 -0.145 0.000 0.762 442 E HN 0.433 nan 8.360 nan 0.000 0.451 443 A N 1.186 123.891 122.820 -0.192 0.000 1.940 443 A HA -0.140 4.180 4.320 0.000 0.000 0.219 443 A C 2.422 179.880 177.584 -0.210 0.000 1.176 443 A CA 2.506 54.445 52.037 -0.164 0.000 0.631 443 A CB -0.757 18.178 19.000 -0.109 0.000 0.814 443 A HN 0.352 nan 8.150 nan 0.000 0.446 444 A N -0.477 122.160 122.820 -0.305 0.000 1.986 444 A HA -0.200 4.120 4.320 0.000 0.000 0.220 444 A C 1.959 179.233 177.584 -0.517 0.000 1.171 444 A CA 2.267 54.045 52.037 -0.431 0.000 0.640 444 A CB -0.397 18.225 19.000 -0.631 0.000 0.811 444 A HN 0.545 nan 8.150 nan 0.000 0.451 445 E N -0.269 119.718 120.200 -0.356 0.000 2.230 445 E HA -0.070 4.280 4.350 0.000 0.000 0.192 445 E C 2.052 178.531 176.600 -0.201 0.000 0.987 445 E CA 1.016 57.259 56.400 -0.262 0.000 0.841 445 E CB -0.208 29.396 29.700 -0.161 0.000 0.783 445 E HN 0.596 nan 8.360 nan 0.000 0.481 446 R N -0.364 120.026 120.500 -0.183 0.000 2.153 446 R HA 0.090 4.430 4.340 0.000 0.000 0.218 446 R C 1.858 178.082 176.300 -0.127 0.000 1.072 446 R CA 0.967 56.986 56.100 -0.134 0.000 0.990 446 R CB -0.020 30.205 30.300 -0.124 0.000 0.889 446 R HN 0.244 nan 8.270 nan 0.000 0.452 447 I N -0.494 119.979 120.570 -0.162 0.000 2.385 447 I HA 0.192 4.362 4.170 0.000 0.000 0.244 447 I C 0.816 176.844 176.117 -0.149 0.000 1.089 447 I CA 0.789 62.014 61.300 -0.125 0.000 1.410 447 I CB 0.086 38.026 38.000 -0.101 0.000 1.117 447 I HN 0.395 nan 8.210 nan 0.000 0.429 448 G N 0.561 109.192 108.800 -0.282 0.000 2.576 448 G HA2 -0.080 3.880 3.960 0.000 0.000 0.686 448 G HA3 -0.080 3.880 3.960 0.000 0.000 0.686 448 G C -1.019 173.688 174.900 -0.322 0.000 1.242 448 G CA -0.982 43.959 45.100 -0.264 0.000 0.819 448 G HN -0.052 nan 8.290 nan 0.000 0.655 449 F N 1.918 121.885 119.950 0.028 0.000 2.432 449 F HA 0.708 5.235 4.527 0.000 0.000 0.329 449 F C -0.871 174.950 175.800 0.034 0.000 1.076 449 F CA -1.763 56.262 58.000 0.042 0.000 1.018 449 F CB 1.658 40.683 39.000 0.042 0.000 1.201 449 F HN 0.434 nan 8.300 nan 0.000 0.489 450 P HA 0.522 nan 4.420 nan 0.000 0.276 450 P C -1.414 176.025 177.300 0.232 0.000 1.252 450 P CA -0.315 62.969 63.100 0.307 0.000 0.802 450 P CB 1.661 33.464 31.700 0.173 0.000 1.035 451 L N -1.720 119.671 121.223 0.279 0.000 2.502 451 L HA 0.699 5.039 4.340 0.000 0.000 0.253 451 L C -0.832 176.134 176.870 0.160 0.000 1.070 451 L CA -0.993 53.953 54.840 0.178 0.000 0.871 451 L CB 1.011 43.149 42.059 0.132 0.000 1.487 451 L HN 0.061 nan 8.230 nan 0.000 0.408 452 M N 1.937 121.599 119.600 0.103 0.000 2.294 452 M HA 0.539 5.019 4.480 0.000 0.000 0.335 452 M C -0.871 175.411 176.300 -0.030 0.000 1.079 452 M CA -0.342 54.977 55.300 0.031 0.000 0.982 452 M CB 1.604 34.204 32.600 0.000 0.000 1.651 452 M HN 0.558 nan 8.290 nan 0.000 0.437 453 I N 3.749 124.270 120.570 -0.081 0.000 2.312 453 I HA 0.322 4.492 4.170 0.000 0.000 0.290 453 I C -0.094 175.845 176.117 -0.295 0.000 1.008 453 I CA -0.385 60.822 61.300 -0.155 0.000 1.226 453 I CB 0.655 38.550 38.000 -0.174 0.000 1.371 453 I HN 0.520 nan 8.210 nan 0.000 0.468 454 K N 5.429 125.507 120.400 -0.537 0.000 2.427 454 K HA 0.733 5.053 4.320 0.000 0.000 0.252 454 K C -0.901 175.421 176.600 -0.464 0.000 0.931 454 K CA -0.739 55.204 56.287 -0.574 0.000 0.793 454 K CB 2.669 34.710 32.500 -0.765 0.000 1.211 454 K HN 0.600 nan 8.250 nan 0.000 0.426 455 A N 1.340 124.053 122.820 -0.179 0.000 2.289 455 A HA 0.238 4.558 4.320 0.000 0.000 0.298 455 A C 1.218 178.886 177.584 0.141 0.000 1.208 455 A CA -0.387 51.641 52.037 -0.016 0.000 0.845 455 A CB 0.516 19.487 19.000 -0.049 0.000 1.125 455 A HN 0.878 nan 8.150 nan 0.000 0.517 456 S N 1.996 117.869 115.700 0.288 0.000 2.383 456 S HA -0.206 4.264 4.470 0.000 0.000 0.229 456 S C 1.068 175.774 174.600 0.176 0.000 1.030 456 S CA 1.747 60.128 58.200 0.301 0.000 1.002 456 S CB -0.485 62.894 63.200 0.299 0.000 0.829 456 S HN 0.789 nan 8.310 nan 0.000 0.467 457 E N 1.702 121.982 120.200 0.133 0.000 2.347 457 E HA 0.131 4.481 4.350 0.000 0.000 0.196 457 E C 1.424 178.058 176.600 0.057 0.000 1.008 457 E CA 0.258 56.712 56.400 0.090 0.000 0.852 457 E CB -0.409 29.335 29.700 0.073 0.000 0.783 457 E HN 0.676 nan 8.360 nan 0.000 0.505 458 G N 0.982 109.811 108.800 0.048 0.000 2.590 458 G HA2 0.371 4.331 3.960 0.000 0.000 0.276 458 G HA3 0.371 4.331 3.960 0.000 0.000 0.276 458 G C 0.297 175.206 174.900 0.015 0.000 1.337 458 G CA 0.181 45.288 45.100 0.011 0.000 1.030 458 G HN 0.322 nan 8.290 nan 0.000 0.534 459 G N -3.667 105.126 108.800 -0.012 0.000 2.453 459 G HA2 0.519 4.479 3.960 0.000 0.000 0.665 459 G HA3 0.519 4.479 3.960 0.000 0.000 0.665 459 G C 0.494 175.379 174.900 -0.025 0.000 1.411 459 G CA 0.447 45.537 45.100 -0.016 0.000 0.889 459 G HN 2.491 nan 8.290 nan 0.000 0.651 460 G N -0.904 107.873 108.800 -0.039 0.000 2.165 460 G HA2 0.457 4.417 3.960 0.000 0.000 0.226 460 G HA3 0.457 4.417 3.960 0.000 0.000 0.226 460 G C 1.933 176.802 174.900 -0.053 0.000 1.035 460 G CA 1.004 46.083 45.100 -0.035 0.000 0.744 460 G HN 3.097 nan 8.290 nan 0.000 0.501 461 G N -1.474 107.274 108.800 -0.087 0.000 2.176 461 G HA2 -0.245 3.715 3.960 0.000 0.000 0.253 461 G HA3 -0.245 3.715 3.960 0.000 0.000 0.253 461 G C 0.336 175.182 174.900 -0.089 0.000 0.979 461 G CA 1.254 46.291 45.100 -0.105 0.000 0.641 461 G HN 1.027 nan 8.290 nan 0.000 0.530 462 K N -0.373 119.983 120.400 -0.072 0.000 2.221 462 K HA 0.566 4.886 4.320 0.000 0.000 0.243 462 K C 0.933 177.489 176.600 -0.074 0.000 0.968 462 K CA -0.384 55.864 56.287 -0.066 0.000 0.846 462 K CB 1.658 34.130 32.500 -0.046 0.000 1.141 462 K HN 1.276 nan 8.250 nan 0.000 0.434 463 G N 1.660 110.408 108.800 -0.086 0.000 2.333 463 G HA2 -0.232 3.728 3.960 0.000 0.000 0.296 463 G HA3 -0.232 3.728 3.960 0.000 0.000 0.296 463 G C -0.578 174.245 174.900 -0.129 0.000 1.059 463 G CA 0.361 45.398 45.100 -0.105 0.000 1.050 463 G HN 0.458 nan 8.290 nan 0.000 0.508 464 I N -1.390 119.099 120.570 -0.135 0.000 2.787 464 I HA 0.885 5.055 4.170 0.000 0.000 0.294 464 I C -0.836 175.207 176.117 -0.125 0.000 1.365 464 I CA -1.237 59.978 61.300 -0.141 0.000 1.029 464 I CB 1.961 39.883 38.000 -0.131 0.000 1.313 464 I HN 0.254 nan 8.210 nan 0.000 0.431 465 R N 3.879 124.309 120.500 -0.117 0.000 2.710 465 R HA 0.543 4.883 4.340 0.000 0.000 0.270 465 R C -1.709 174.562 176.300 -0.047 0.000 1.021 465 R CA -0.990 55.058 56.100 -0.087 0.000 0.889 465 R CB 1.686 31.919 30.300 -0.112 0.000 1.243 465 R HN 0.559 nan 8.270 nan 0.000 0.464 466 K N 1.357 121.748 120.400 -0.016 0.000 2.464 466 K HA 0.681 5.001 4.320 0.000 0.000 0.252 466 K C -1.222 175.405 176.600 0.045 0.000 1.000 466 K CA -0.433 55.870 56.287 0.027 0.000 0.951 466 K CB 1.270 33.788 32.500 0.031 0.000 1.183 466 K HN 0.689 nan 8.250 nan 0.000 0.445 467 A N 3.789 126.675 122.820 0.111 0.000 2.331 467 A HA 0.250 4.570 4.320 0.000 0.000 0.283 467 A C 0.080 177.769 177.584 0.176 0.000 1.142 467 A CA -0.306 51.823 52.037 0.153 0.000 0.812 467 A CB 0.463 19.679 19.000 0.360 0.000 1.074 467 A HN 0.952 nan 8.150 nan 0.000 0.497 468 E N 0.432 120.600 120.200 -0.053 0.000 2.572 468 E HA 0.142 4.492 4.350 0.000 0.000 0.220 468 E C -0.188 176.093 176.600 -0.532 0.000 0.945 468 E CA 0.570 56.901 56.400 -0.115 0.000 1.070 468 E CB 0.640 30.308 29.700 -0.053 0.000 1.090 468 E HN 0.766 nan 8.360 nan 0.000 0.506 469 S N -1.321 113.819 115.700 -0.934 0.000 2.565 469 S HA 0.552 5.022 4.470 0.000 0.000 0.269 469 S C 0.478 174.512 174.600 -0.944 0.000 1.153 469 S CA -0.364 57.188 58.200 -1.079 0.000 0.835 469 S CB 1.405 64.360 63.200 -0.409 0.000 1.122 469 S HN -0.022 nan 8.310 nan 0.000 0.462 470 A N 0.769 123.252 122.820 -0.561 0.000 2.070 470 A HA 0.034 4.354 4.320 0.000 0.000 0.220 470 A C 1.593 179.172 177.584 -0.009 0.000 1.159 470 A CA 1.635 53.639 52.037 -0.055 0.000 0.656 470 A CB -0.936 18.116 19.000 0.086 0.000 0.800 470 A HN 0.910 nan 8.150 nan 0.000 0.453 471 E N -0.208 119.946 120.200 -0.076 0.000 2.347 471 E HA -0.085 4.265 4.350 0.000 0.000 0.196 471 E C 0.758 177.353 176.600 -0.008 0.000 1.008 471 E CA 1.001 57.385 56.400 -0.028 0.000 0.852 471 E CB 0.074 29.747 29.700 -0.045 0.000 0.783 471 E HN 0.547 nan 8.360 nan 0.000 0.505 472 D N -0.810 119.575 120.400 -0.025 0.000 2.423 472 D HA 0.010 4.650 4.640 0.000 0.000 0.212 472 D C 1.280 177.618 176.300 0.063 0.000 1.060 472 D CA -0.084 53.915 54.000 -0.002 0.000 0.872 472 D CB 0.033 40.804 40.800 -0.048 0.000 1.012 472 D HN 0.071 nan 8.370 nan 0.000 0.503 473 F N 2.546 122.494 119.950 -0.004 0.000 2.063 473 F HA -0.183 4.344 4.527 0.000 0.000 0.298 473 F C -0.959 174.908 175.800 0.111 0.000 1.109 473 F CA 1.846 59.902 58.000 0.094 0.000 1.212 473 F CB -1.091 38.001 39.000 0.153 0.000 0.973 473 F HN -0.011 nan 8.300 nan 0.000 0.480 474 P HA -0.249 nan 4.420 nan 0.000 0.215 474 P C 2.060 179.419 177.300 0.098 0.000 1.163 474 P CA 2.288 65.502 63.100 0.191 0.000 0.894 474 P CB -0.136 31.652 31.700 0.147 0.000 0.791 475 I N -1.697 118.904 120.570 0.051 0.000 2.252 475 I HA -0.207 3.963 4.170 0.000 0.000 0.245 475 I C 2.289 178.394 176.117 -0.021 0.000 1.102 475 I CA 1.281 62.592 61.300 0.018 0.000 1.385 475 I CB -0.604 37.398 38.000 0.005 0.000 1.064 475 I HN -0.076 nan 8.210 nan 0.000 0.414 476 L N -0.274 120.913 121.223 -0.061 0.000 2.046 476 L HA -0.249 4.091 4.340 0.000 0.000 0.208 476 L C 2.598 179.362 176.870 -0.176 0.000 1.077 476 L CA 1.480 56.247 54.840 -0.122 0.000 0.747 476 L CB -0.656 41.316 42.059 -0.146 0.000 0.896 476 L HN 0.199 nan 8.230 nan 0.000 0.432 477 F N 0.718 120.430 119.950 -0.396 0.000 2.186 477 F HA -0.145 4.382 4.527 0.000 0.000 0.299 477 F C 2.668 178.364 175.800 -0.174 0.000 1.090 477 F CA 1.334 59.101 58.000 -0.388 0.000 1.307 477 F CB -0.109 38.571 39.000 -0.535 0.000 1.019 477 F HN -0.130 nan 8.300 nan 0.000 0.489 478 R N -0.292 120.227 120.500 0.031 0.000 2.148 478 R HA -0.115 4.225 4.340 0.000 0.000 0.223 478 R C 2.198 178.439 176.300 -0.098 0.000 1.088 478 R CA 1.102 57.200 56.100 -0.002 0.000 0.985 478 R CB -0.433 29.908 30.300 0.068 0.000 0.880 478 R HN 0.419 nan 8.270 nan 0.000 0.451 479 Q N 0.427 120.162 119.800 -0.109 0.000 2.050 479 Q HA -0.118 4.222 4.340 0.000 0.000 0.202 479 Q C 2.038 177.946 176.000 -0.153 0.000 0.980 479 Q CA 1.457 57.194 55.803 -0.108 0.000 0.840 479 Q CB 0.143 28.823 28.738 -0.097 0.000 0.898 479 Q HN 0.104 nan 8.270 nan 0.000 0.424 480 V N 0.990 120.766 119.914 -0.230 0.000 2.568 480 V HA -0.280 3.840 4.120 0.000 0.000 0.253 480 V C 2.010 177.947 176.094 -0.261 0.000 1.072 480 V CA 1.800 63.943 62.300 -0.262 0.000 1.084 480 V CB -0.545 31.063 31.823 -0.359 0.000 0.676 480 V HN 0.417 nan 8.190 nan 0.000 0.469 481 Q N -0.468 119.157 119.800 -0.291 0.000 2.137 481 Q HA -0.088 4.252 4.340 0.000 0.000 0.198 481 Q C 2.437 178.369 176.000 -0.114 0.000 0.960 481 Q CA 1.558 57.232 55.803 -0.215 0.000 0.847 481 Q CB -0.165 28.458 28.738 -0.193 0.000 0.915 481 Q HN 0.569 nan 8.270 nan 0.000 0.448 482 S N 0.790 116.432 115.700 -0.095 0.000 2.453 482 S HA -0.116 4.354 4.470 0.000 0.000 0.231 482 S C 1.628 176.195 174.600 -0.055 0.000 1.005 482 S CA 0.777 58.942 58.200 -0.059 0.000 0.949 482 S CB 0.054 63.226 63.200 -0.047 0.000 0.774 482 S HN 0.336 nan 8.310 nan 0.000 0.510 483 E N 0.360 120.516 120.200 -0.072 0.000 2.060 483 E HA 0.060 4.410 4.350 0.000 0.000 0.189 483 E C -0.113 176.456 176.600 -0.052 0.000 0.974 483 E CA 0.705 57.068 56.400 -0.062 0.000 0.808 483 E CB 0.343 29.997 29.700 -0.076 0.000 0.768 483 E HN 0.225 nan 8.360 nan 0.000 0.453 484 I N 3.082 123.616 120.570 -0.061 0.000 2.905 484 I HA 0.264 4.434 4.170 0.000 0.000 0.297 484 I C -2.471 173.624 176.117 -0.037 0.000 1.358 484 I CA -2.327 58.949 61.300 -0.040 0.000 0.975 484 I CB 0.198 38.177 38.000 -0.036 0.000 1.857 484 I HN -0.045 nan 8.210 nan 0.000 0.612 485 P HA 0.016 nan 4.420 nan 0.000 0.264 485 P C 1.089 178.387 177.300 -0.003 0.000 1.179 485 P CA 1.244 64.332 63.100 -0.020 0.000 0.763 485 P CB 0.970 32.662 31.700 -0.013 0.000 0.806 486 G N 1.367 110.170 108.800 0.006 0.000 2.328 486 G HA2 -0.313 3.647 3.960 0.000 0.000 0.256 486 G HA3 -0.313 3.647 3.960 0.000 0.000 0.256 486 G C 0.554 175.479 174.900 0.040 0.000 1.014 486 G CA 0.556 45.671 45.100 0.025 0.000 0.620 486 G HN 0.881 nan 8.290 nan 0.000 0.530 487 S N 2.002 117.721 115.700 0.031 0.000 2.560 487 S HA 0.471 4.941 4.470 0.000 0.000 0.284 487 S C -1.732 172.919 174.600 0.085 0.000 1.327 487 S CA -0.191 58.044 58.200 0.058 0.000 1.055 487 S CB 0.791 64.014 63.200 0.038 0.000 0.868 487 S HN 0.246 nan 8.310 nan 0.000 0.506 488 P HA 0.402 nan 4.420 nan 0.000 0.275 488 P C -0.902 176.514 177.300 0.193 0.000 1.228 488 P CA -0.179 63.042 63.100 0.202 0.000 0.786 488 P CB 0.464 32.352 31.700 0.313 0.000 0.927 489 I N 2.764 123.452 120.570 0.196 0.000 2.689 489 I HA 0.566 4.736 4.170 0.000 0.000 0.299 489 I C -0.385 175.921 176.117 0.315 0.000 1.059 489 I CA -0.875 60.522 61.300 0.161 0.000 1.055 489 I CB 1.480 39.481 38.000 0.002 0.000 1.243 489 I HN 0.341 nan 8.210 nan 0.000 0.425 490 F N 3.970 124.015 119.950 0.158 0.000 2.643 490 F HA 0.800 5.327 4.527 0.000 0.000 0.314 490 F C -1.949 173.992 175.800 0.236 0.000 1.096 490 F CA -1.087 57.045 58.000 0.220 0.000 0.953 490 F CB 1.186 40.349 39.000 0.272 0.000 1.345 490 F HN 0.097 nan 8.300 nan 0.000 0.468 491 L N 3.115 124.553 121.223 0.358 0.000 2.334 491 L HA 0.706 5.046 4.340 0.000 0.000 0.273 491 L C -0.640 176.473 176.870 0.404 0.000 1.013 491 L CA -0.875 54.106 54.840 0.234 0.000 0.816 491 L CB 1.993 44.205 42.059 0.255 0.000 1.278 491 L HN 0.862 nan 8.230 nan 0.000 0.431 492 M N 2.318 122.073 119.600 0.259 0.000 2.371 492 M HA 0.355 4.835 4.480 0.000 0.000 0.287 492 M C -1.052 175.348 176.300 0.166 0.000 1.149 492 M CA -0.869 54.611 55.300 0.300 0.000 0.929 492 M CB 2.478 35.276 32.600 0.331 0.000 1.683 492 M HN 0.415 nan 8.290 nan 0.000 0.470 493 K N 2.765 123.250 120.400 0.142 0.000 2.489 493 K HA 0.168 4.488 4.320 0.000 0.000 0.278 493 K C -1.092 175.549 176.600 0.068 0.000 1.000 493 K CA -0.017 56.318 56.287 0.079 0.000 1.012 493 K CB 0.354 32.881 32.500 0.045 0.000 0.903 493 K HN 0.613 nan 8.250 nan 0.000 0.485 494 L N 4.439 125.703 121.223 0.068 0.000 2.315 494 L HA 0.328 4.668 4.340 0.000 0.000 0.283 494 L C -0.497 176.402 176.870 0.049 0.000 1.089 494 L CA 0.250 55.129 54.840 0.065 0.000 0.833 494 L CB 0.095 42.198 42.059 0.074 0.000 1.170 494 L HN 0.733 nan 8.230 nan 0.000 0.442 495 A N 5.207 128.056 122.820 0.048 0.000 2.515 495 A HA 0.156 4.476 4.320 0.000 0.000 0.263 495 A C 0.308 177.928 177.584 0.059 0.000 1.096 495 A CA -0.127 51.933 52.037 0.038 0.000 0.769 495 A CB -0.375 18.649 19.000 0.040 0.000 1.040 495 A HN 0.784 nan 8.150 nan 0.000 0.505 496 Q N 2.149 121.983 119.800 0.055 0.000 2.641 496 Q HA 0.105 4.445 4.340 0.000 0.000 0.225 496 Q C -0.475 175.610 176.000 0.143 0.000 1.309 496 Q CA 0.069 55.919 55.803 0.079 0.000 0.935 496 Q CB -0.464 28.312 28.738 0.063 0.000 1.557 496 Q HN 0.913 nan 8.270 nan 0.000 0.563 497 H N 0.060 119.143 119.070 0.021 0.000 2.814 497 H HA -0.238 4.318 4.556 0.000 0.000 0.281 497 H C -0.992 174.338 175.328 0.004 0.000 0.789 497 H CA -0.010 56.048 56.048 0.017 0.000 0.895 497 H CB -0.112 29.655 29.762 0.010 0.000 1.522 497 H HN 0.729 nan 8.280 nan 0.000 0.294 498 A N 4.929 127.804 122.820 0.091 0.000 2.548 498 A HA 0.781 5.101 4.320 0.000 0.000 0.282 498 A C -0.565 176.992 177.584 -0.045 0.000 1.288 498 A CA -0.914 51.108 52.037 -0.025 0.000 0.748 498 A CB 1.322 20.300 19.000 -0.037 0.000 1.339 498 A HN 0.479 nan 8.150 nan 0.000 0.475 499 R N 1.006 121.497 120.500 -0.014 0.000 2.500 499 R HA 0.446 4.786 4.340 0.000 0.000 0.277 499 R C -1.104 175.169 176.300 -0.045 0.000 1.026 499 R CA -0.299 55.842 56.100 0.069 0.000 1.058 499 R CB 0.402 30.836 30.300 0.224 0.000 1.078 499 R HN 0.719 nan 8.270 nan 0.000 0.509 500 H N 2.862 122.026 119.070 0.157 0.000 2.595 500 H HA 0.379 4.935 4.556 0.000 0.000 0.313 500 H C -0.307 175.114 175.328 0.155 0.000 1.023 500 H CA -0.404 55.731 56.048 0.145 0.000 1.218 500 H CB 1.247 31.065 29.762 0.094 0.000 1.403 500 H HN 0.179 nan 8.280 nan 0.000 0.477 501 L N 2.690 124.079 121.223 0.275 0.000 2.346 501 L HA 0.458 4.798 4.340 0.000 0.000 0.274 501 L C 0.244 177.291 176.870 0.294 0.000 1.007 501 L CA -0.734 54.270 54.840 0.274 0.000 0.818 501 L CB 2.303 44.542 42.059 0.300 0.000 1.284 501 L HN 0.455 nan 8.230 nan 0.000 0.424 502 E N 1.462 121.821 120.200 0.265 0.000 2.277 502 E HA 0.615 4.965 4.350 0.000 0.000 0.266 502 E C -1.415 175.365 176.600 0.299 0.000 0.901 502 E CA -0.833 55.699 56.400 0.220 0.000 0.782 502 E CB 3.298 33.072 29.700 0.123 0.000 1.228 502 E HN 0.190 nan 8.360 nan 0.000 0.424 503 V N 2.048 122.095 119.914 0.222 0.000 2.495 503 V HA 0.191 4.311 4.120 0.000 0.000 0.298 503 V C -0.493 175.665 176.094 0.107 0.000 1.031 503 V CA -0.866 61.555 62.300 0.201 0.000 0.871 503 V CB 1.665 33.554 31.823 0.109 0.000 0.988 503 V HN 0.564 nan 8.190 nan 0.000 0.432 504 Q N 4.338 124.207 119.800 0.115 0.000 2.322 504 Q HA 0.463 4.803 4.340 0.000 0.000 0.256 504 Q C -1.064 174.951 176.000 0.026 0.000 0.960 504 Q CA -0.030 55.815 55.803 0.071 0.000 0.934 504 Q CB 0.867 29.668 28.738 0.105 0.000 1.200 504 Q HN 0.568 nan 8.270 nan 0.000 0.435 505 I N 4.664 125.232 120.570 -0.003 0.000 2.460 505 I HA 0.453 4.623 4.170 0.000 0.000 0.298 505 I C -0.869 175.260 176.117 0.019 0.000 0.989 505 I CA -0.956 60.331 61.300 -0.023 0.000 1.173 505 I CB 1.454 39.400 38.000 -0.091 0.000 1.338 505 I HN 0.638 nan 8.210 nan 0.000 0.456 506 L N 5.688 126.917 121.223 0.010 0.000 2.476 506 L HA 0.792 5.132 4.340 0.000 0.000 0.269 506 L C -0.971 175.902 176.870 0.004 0.000 0.965 506 L CA -0.126 54.727 54.840 0.022 0.000 0.845 506 L CB 1.618 43.671 42.059 -0.010 0.000 1.259 506 L HN 0.697 nan 8.230 nan 0.000 0.403 507 A N 3.018 125.868 122.820 0.050 0.000 2.449 507 A HA 0.737 5.057 4.320 0.000 0.000 0.302 507 A C -1.138 176.453 177.584 0.013 0.000 1.048 507 A CA -0.462 51.598 52.037 0.038 0.000 0.708 507 A CB 1.170 20.238 19.000 0.113 0.000 1.274 507 A HN 0.785 nan 8.150 nan 0.000 0.410 508 D N 0.475 120.891 120.400 0.025 0.000 2.469 508 D HA 0.273 4.913 4.640 0.000 0.000 0.278 508 D C 0.186 176.422 176.300 -0.107 0.000 1.231 508 D CA -0.204 53.804 54.000 0.014 0.000 1.075 508 D CB 0.252 41.157 40.800 0.174 0.000 1.121 508 D HN 0.428 nan 8.370 nan 0.000 0.571 509 Q N -1.192 118.398 119.800 -0.349 0.000 2.286 509 Q HA 0.172 4.512 4.340 0.000 0.000 0.281 509 Q C -0.672 174.813 176.000 -0.857 0.000 0.897 509 Q CA -0.133 55.342 55.803 -0.547 0.000 1.023 509 Q CB 0.041 28.431 28.738 -0.581 0.000 1.151 509 Q HN 0.455 nan 8.270 nan 0.000 0.445 510 Y N -1.465 118.876 120.300 0.068 0.000 2.672 510 Y HA 0.327 4.877 4.550 0.000 0.000 0.252 510 Y C 1.373 177.321 175.900 0.081 0.000 1.132 510 Y CA -0.022 58.124 58.100 0.077 0.000 1.228 510 Y CB 1.458 39.976 38.460 0.095 0.000 1.310 510 Y HN 0.250 nan 8.280 nan 0.000 0.549 511 G N 0.352 109.238 108.800 0.142 0.000 2.218 511 G HA2 -0.256 3.704 3.960 0.000 0.000 0.216 511 G HA3 -0.256 3.704 3.960 0.000 0.000 0.216 511 G C -0.164 174.821 174.900 0.142 0.000 0.994 511 G CA -0.359 44.822 45.100 0.135 0.000 0.637 511 G HN 0.365 nan 8.290 nan 0.000 0.505 512 N N 1.103 119.906 118.700 0.172 0.000 2.455 512 N HA 0.663 5.403 4.740 0.000 0.000 0.280 512 N C -0.052 175.482 175.510 0.040 0.000 1.055 512 N CA 0.591 53.733 53.050 0.154 0.000 0.961 512 N CB 1.671 40.325 38.487 0.278 0.000 1.121 512 N HN 0.777 nan 8.380 nan 0.000 0.476 513 A N 1.283 124.093 122.820 -0.016 0.000 2.422 513 A HA 0.728 5.048 4.320 0.000 0.000 0.302 513 A C -0.682 176.813 177.584 -0.148 0.000 1.041 513 A CA -0.670 51.330 52.037 -0.061 0.000 0.708 513 A CB 0.909 19.918 19.000 0.015 0.000 1.257 513 A HN 0.470 nan 8.150 nan 0.000 0.414 514 V N -0.328 119.473 119.914 -0.188 0.000 3.102 514 V HA 0.957 5.077 4.120 0.000 0.000 0.312 514 V C 0.014 176.047 176.094 -0.102 0.000 1.135 514 V CA -0.309 61.883 62.300 -0.181 0.000 1.022 514 V CB 1.527 33.174 31.823 -0.292 0.000 1.056 514 V HN 1.476 nan 8.190 nan 0.000 0.436 515 S N 1.395 117.040 115.700 -0.093 0.000 2.565 515 S HA 0.773 5.243 4.470 0.000 0.000 0.290 515 S C -0.427 174.072 174.600 -0.169 0.000 1.150 515 S CA -0.748 57.394 58.200 -0.097 0.000 1.058 515 S CB 1.325 64.462 63.200 -0.105 0.000 1.032 515 S HN 0.835 nan 8.310 nan 0.000 0.510 516 L N 2.829 123.983 121.223 -0.115 0.000 2.892 516 L HA 0.442 4.782 4.340 0.000 0.000 0.251 516 L C -0.932 175.968 176.870 0.049 0.000 1.339 516 L CA -0.524 54.237 54.840 -0.131 0.000 0.900 516 L CB -0.949 41.145 42.059 0.058 0.000 1.246 516 L HN 0.834 nan 8.230 nan 0.000 0.524 517 F N -0.863 119.171 119.950 0.139 0.000 2.183 517 F HA -0.181 4.346 4.527 0.000 0.000 0.318 517 F C 1.102 177.059 175.800 0.262 0.000 0.129 517 F CA 1.009 59.130 58.000 0.202 0.000 0.912 517 F CB -1.516 37.523 39.000 0.064 0.000 4.135 517 F HN 0.276 nan 8.300 nan 0.000 0.137 518 G N -0.861 108.168 108.800 0.383 0.000 2.788 518 G HA2 0.759 4.719 3.960 0.000 0.000 0.293 518 G HA3 0.759 4.719 3.960 0.000 0.000 0.293 518 G C -1.779 173.176 174.900 0.091 0.000 1.392 518 G CA -1.226 44.061 45.100 0.312 0.000 0.810 518 G HN 0.604 nan 8.290 nan 0.000 0.508 519 R N -0.227 120.335 120.500 0.104 0.000 2.832 519 R HA 0.462 4.802 4.340 0.000 0.000 0.271 519 R C -1.534 174.797 176.300 0.051 0.000 0.996 519 R CA -0.826 55.303 56.100 0.047 0.000 0.977 519 R CB 2.462 32.805 30.300 0.072 0.000 1.168 519 R HN 0.526 nan 8.270 nan 0.000 0.482 520 D N 1.638 122.059 120.400 0.035 0.000 2.344 520 D HA 0.241 4.881 4.640 0.000 0.000 0.239 520 D C -0.745 175.613 176.300 0.097 0.000 1.064 520 D CA -0.437 53.606 54.000 0.072 0.000 0.829 520 D CB 1.243 42.077 40.800 0.056 0.000 1.129 520 D HN 0.705 nan 8.370 nan 0.000 0.506 521 C N 2.332 121.707 119.300 0.126 0.000 3.359 521 C HA 0.395 4.855 4.460 0.000 0.000 0.194 521 C C 1.275 176.343 174.990 0.130 0.000 1.659 521 C CA -0.751 58.327 59.018 0.100 0.000 1.338 521 C CB -1.069 26.706 27.740 0.059 0.000 2.109 521 C HN 0.402 nan 8.230 nan 0.000 0.518 522 S N 0.675 116.472 115.700 0.161 0.000 2.496 522 S HA 0.131 4.602 4.470 0.000 0.000 0.224 522 S C 0.447 175.106 174.600 0.099 0.000 0.996 522 S CA 0.462 58.780 58.200 0.197 0.000 0.927 522 S CB -0.113 63.190 63.200 0.171 0.000 0.774 522 S HN 0.674 nan 8.310 nan 0.000 0.524 523 I N 2.996 123.594 120.570 0.046 0.000 2.322 523 I HA 0.248 4.418 4.170 0.000 0.000 0.292 523 I C 0.030 176.118 176.117 -0.049 0.000 1.060 523 I CA 0.232 61.514 61.300 -0.030 0.000 1.309 523 I CB 0.275 38.250 38.000 -0.043 0.000 1.415 523 I HN 0.111 nan 8.210 nan 0.000 0.492 524 Q N 6.173 125.929 119.800 -0.073 0.000 2.359 524 Q HA 0.601 4.941 4.340 0.000 0.000 0.274 524 Q C -0.659 175.270 176.000 -0.118 0.000 1.074 524 Q CA -0.981 54.766 55.803 -0.094 0.000 0.810 524 Q CB 2.745 31.411 28.738 -0.120 0.000 1.342 524 Q HN 0.387 nan 8.270 nan 0.000 0.427 525 R N 2.039 122.473 120.500 -0.109 0.000 2.335 525 R HA 0.316 4.656 4.340 0.000 0.000 0.302 525 R C -0.931 175.286 176.300 -0.139 0.000 1.147 525 R CA -0.639 55.384 56.100 -0.129 0.000 1.111 525 R CB 0.619 30.855 30.300 -0.106 0.000 1.122 525 R HN 0.459 nan 8.270 nan 0.000 0.557 526 R N 2.971 123.346 120.500 -0.208 0.000 3.125 526 R HA -0.169 4.171 4.340 0.000 0.000 0.258 526 R C -0.755 175.453 176.300 -0.154 0.000 0.968 526 R CA 0.427 56.382 56.100 -0.241 0.000 0.656 526 R CB -2.408 27.829 30.300 -0.106 0.000 1.251 526 R HN 0.997 nan 8.270 nan 0.000 0.428 527 H N -2.795 116.223 119.070 -0.086 0.000 2.839 527 H HA -0.191 4.365 4.556 0.000 0.000 0.298 527 H C 0.001 175.271 175.328 -0.096 0.000 1.224 527 H CA 1.567 57.560 56.048 -0.091 0.000 1.144 527 H CB -0.768 28.948 29.762 -0.077 0.000 1.372 527 H HN 0.617 nan 8.280 nan 0.000 0.408 528 Q N 0.567 120.342 119.800 -0.041 0.000 2.285 528 Q HA 0.349 4.689 4.340 0.000 0.000 0.269 528 Q C -0.670 175.288 176.000 -0.069 0.000 1.030 528 Q CA -0.671 55.099 55.803 -0.055 0.000 0.788 528 Q CB 1.329 30.032 28.738 -0.058 0.000 1.266 528 Q HN 0.186 nan 8.270 nan 0.000 0.438 529 K N 5.187 125.550 120.400 -0.062 0.000 2.167 529 K HA 0.117 4.437 4.320 0.000 0.000 0.275 529 K C 0.583 177.154 176.600 -0.048 0.000 1.103 529 K CA -0.125 56.133 56.287 -0.048 0.000 0.963 529 K CB 0.375 32.861 32.500 -0.024 0.000 1.243 529 K HN 0.577 nan 8.250 nan 0.000 0.407 530 I N 1.641 122.177 120.570 -0.057 0.000 2.141 530 I HA -0.094 4.076 4.170 0.000 0.000 0.236 530 I C 1.025 177.080 176.117 -0.104 0.000 1.071 530 I CA 1.004 62.261 61.300 -0.072 0.000 1.345 530 I CB -0.286 37.700 38.000 -0.024 0.000 1.066 530 I HN 0.134 nan 8.210 nan 0.000 0.406 531 V N 1.312 121.175 119.914 -0.085 0.000 2.483 531 V HA 0.372 4.492 4.120 0.000 0.000 0.295 531 V C -0.273 175.815 176.094 -0.010 0.000 1.035 531 V CA -0.606 61.642 62.300 -0.086 0.000 0.896 531 V CB 2.095 33.838 31.823 -0.134 0.000 0.986 531 V HN 0.293 nan 8.190 nan 0.000 0.447 532 E N 2.439 122.643 120.200 0.007 0.000 2.317 532 E HA 0.589 4.939 4.350 0.000 0.000 0.270 532 E C -1.125 175.512 176.600 0.062 0.000 0.885 532 E CA -0.589 55.840 56.400 0.048 0.000 0.760 532 E CB 2.269 31.999 29.700 0.050 0.000 1.227 532 E HN 0.771 nan 8.360 nan 0.000 0.434 533 E N 0.516 120.752 120.200 0.060 0.000 2.339 533 E HA 0.825 5.175 4.350 0.000 0.000 0.262 533 E C -1.455 175.081 176.600 -0.106 0.000 0.934 533 E CA -1.369 55.033 56.400 0.002 0.000 0.802 533 E CB 2.088 31.843 29.700 0.093 0.000 1.275 533 E HN 0.414 nan 8.360 nan 0.000 0.427 534 A N 1.977 124.598 122.820 -0.333 0.000 2.518 534 A HA 0.413 4.733 4.320 0.000 0.000 0.295 534 A C -2.799 174.457 177.584 -0.548 0.000 1.052 534 A CA -1.050 50.808 52.037 -0.298 0.000 0.824 534 A CB 1.192 20.116 19.000 -0.127 0.000 1.325 534 A HN 0.296 nan 8.150 nan 0.000 0.394 535 P HA 0.495 nan 4.420 nan 0.000 0.307 535 P C 0.061 177.201 177.300 -0.266 0.000 1.306 535 P CA -0.183 62.754 63.100 -0.272 0.000 0.742 535 P CB 0.782 32.324 31.700 -0.264 0.000 1.349 536 A N -0.064 122.526 122.820 -0.384 0.000 2.279 536 A HA 0.412 4.732 4.320 0.000 0.000 0.306 536 A C 1.211 178.607 177.584 -0.313 0.000 1.300 536 A CA -0.022 51.814 52.037 -0.335 0.000 0.925 536 A CB -0.662 18.061 19.000 -0.462 0.000 1.152 536 A HN 0.588 nan 8.150 nan 0.000 0.544 537 T N 0.790 115.267 114.554 -0.128 0.000 3.040 537 T HA -0.039 4.311 4.350 0.000 0.000 0.252 537 T C 1.631 176.273 174.700 -0.097 0.000 1.064 537 T CA 0.842 62.879 62.100 -0.105 0.000 1.110 537 T CB -0.436 68.400 68.868 -0.053 0.000 0.921 537 T HN 0.397 nan 8.240 nan 0.000 0.480 538 I N 2.926 123.457 120.570 -0.064 0.000 2.290 538 I HA 0.040 4.210 4.170 0.000 0.000 0.253 538 I C 1.134 177.226 176.117 -0.042 0.000 1.112 538 I CA 0.327 61.622 61.300 -0.008 0.000 1.377 538 I CB -0.724 37.317 38.000 0.068 0.000 1.060 538 I HN 0.459 nan 8.210 nan 0.000 0.428 539 A N 0.216 122.905 122.820 -0.218 0.000 2.312 539 A HA 0.662 4.982 4.320 0.000 0.000 0.326 539 A C -2.395 175.077 177.584 -0.186 0.000 1.172 539 A CA -1.432 50.344 52.037 -0.435 0.000 0.821 539 A CB -0.051 18.452 19.000 -0.829 0.000 1.166 539 A HN 0.080 nan 8.150 nan 0.000 0.493 540 P HA 0.037 nan 4.420 nan 0.000 0.264 540 P C 0.983 178.293 177.300 0.017 0.000 1.193 540 P CA -0.292 62.804 63.100 -0.008 0.000 0.763 540 P CB 0.501 32.226 31.700 0.043 0.000 0.810 541 L N 4.945 126.189 121.223 0.035 0.000 2.089 541 L HA -0.281 4.059 4.340 0.000 0.000 0.213 541 L C 2.043 178.969 176.870 0.093 0.000 1.079 541 L CA 2.404 57.294 54.840 0.084 0.000 0.758 541 L CB -1.333 40.766 42.059 0.067 0.000 0.891 541 L HN 0.448 nan 8.230 nan 0.000 0.433 542 A N -0.600 122.257 122.820 0.062 0.000 1.902 542 A HA -0.169 4.151 4.320 0.000 0.000 0.217 542 A C 2.255 179.877 177.584 0.062 0.000 1.181 542 A CA 2.067 54.136 52.037 0.054 0.000 0.623 542 A CB -0.722 18.302 19.000 0.040 0.000 0.818 542 A HN 0.501 nan 8.150 nan 0.000 0.443 543 I N -2.241 118.367 120.570 0.063 0.000 2.353 543 I HA -0.134 4.036 4.170 0.000 0.000 0.248 543 I C 2.289 178.348 176.117 -0.097 0.000 1.119 543 I CA 1.090 62.424 61.300 0.058 0.000 1.417 543 I CB -0.263 37.795 38.000 0.096 0.000 1.078 543 I HN 0.404 nan 8.210 nan 0.000 0.421 544 F N 1.975 121.812 119.950 -0.190 0.000 2.259 544 F HA -0.118 4.409 4.527 0.000 0.000 0.298 544 F C 2.308 178.002 175.800 -0.178 0.000 1.088 544 F CA 1.431 59.280 58.000 -0.252 0.000 1.358 544 F CB -0.126 38.760 39.000 -0.191 0.000 1.040 544 F HN 0.014 nan 8.300 nan 0.000 0.505 545 E N -0.509 119.638 120.200 -0.088 0.000 2.150 545 E HA -0.212 4.138 4.350 0.000 0.000 0.193 545 E C 2.146 178.684 176.600 -0.103 0.000 0.985 545 E CA 1.130 57.480 56.400 -0.083 0.000 0.814 545 E CB -0.398 29.331 29.700 0.047 0.000 0.752 545 E HN 0.569 nan 8.360 nan 0.000 0.466 546 F N 0.981 120.770 119.950 -0.269 0.000 2.146 546 F HA -0.185 4.342 4.527 0.000 0.000 0.298 546 F C 2.242 177.796 175.800 -0.410 0.000 1.096 546 F CA 0.802 58.660 58.000 -0.236 0.000 1.275 546 F CB 0.090 39.010 39.000 -0.134 0.000 1.008 546 F HN -0.043 nan 8.300 nan 0.000 0.480 547 M N 0.186 119.269 119.600 -0.862 0.000 2.202 547 M HA -0.246 4.234 4.480 0.000 0.000 0.262 547 M C 1.875 177.721 176.300 -0.756 0.000 1.063 547 M CA 1.714 56.243 55.300 -1.286 0.000 1.097 547 M CB -0.578 30.972 32.600 -1.751 0.000 1.382 547 M HN 0.224 nan 8.290 nan 0.000 0.413 548 E N 0.177 119.989 120.200 -0.647 0.000 2.031 548 E HA -0.244 4.106 4.350 0.000 0.000 0.193 548 E C 2.083 178.565 176.600 -0.197 0.000 0.994 548 E CA 1.376 57.548 56.400 -0.381 0.000 0.800 548 E CB -0.104 29.411 29.700 -0.308 0.000 0.752 548 E HN 0.510 nan 8.360 nan 0.000 0.447 549 Q N -0.006 119.709 119.800 -0.142 0.000 2.084 549 Q HA -0.167 4.173 4.340 0.000 0.000 0.202 549 Q C 2.325 178.287 176.000 -0.062 0.000 0.978 549 Q CA 1.734 57.517 55.803 -0.033 0.000 0.844 549 Q CB -0.282 28.521 28.738 0.109 0.000 0.898 549 Q HN 0.328 nan 8.270 nan 0.000 0.426 550 C N -0.012 119.172 119.300 -0.192 0.000 2.413 550 C HA -0.152 4.308 4.460 0.000 0.000 0.276 550 C C 2.798 177.773 174.990 -0.024 0.000 1.236 550 C CA 0.587 59.526 59.018 -0.131 0.000 1.735 550 C CB -1.456 26.159 27.740 -0.209 0.000 2.031 550 C HN 0.656 nan 8.230 nan 0.000 0.474 551 A N 0.790 123.617 122.820 0.012 0.000 1.892 551 A HA -0.198 4.122 4.320 0.000 0.000 0.218 551 A C 1.993 179.563 177.584 -0.023 0.000 1.188 551 A CA 2.097 54.155 52.037 0.036 0.000 0.631 551 A CB -0.682 18.350 19.000 0.052 0.000 0.822 551 A HN 0.641 nan 8.150 nan 0.000 0.447 552 I N -1.239 119.315 120.570 -0.026 0.000 2.252 552 I HA -0.242 3.928 4.170 0.000 0.000 0.245 552 I C 2.798 178.922 176.117 0.012 0.000 1.102 552 I CA 1.125 62.418 61.300 -0.011 0.000 1.385 552 I CB -0.376 37.624 38.000 0.000 0.000 1.064 552 I HN 0.268 nan 8.210 nan 0.000 0.414 553 R N 0.409 120.919 120.500 0.017 0.000 2.070 553 R HA -0.191 4.149 4.340 0.000 0.000 0.232 553 R C 2.363 178.668 176.300 0.009 0.000 1.138 553 R CA 1.501 57.625 56.100 0.040 0.000 0.936 553 R CB -0.931 29.396 30.300 0.045 0.000 0.839 553 R HN 0.224 nan 8.270 nan 0.000 0.429 554 L N 1.082 122.280 121.223 -0.041 0.000 2.021 554 L HA -0.233 4.107 4.340 0.000 0.000 0.215 554 L C 2.298 179.128 176.870 -0.067 0.000 1.074 554 L CA 2.262 57.043 54.840 -0.100 0.000 0.760 554 L CB -0.808 41.169 42.059 -0.138 0.000 0.889 554 L HN 0.206 nan 8.230 nan 0.000 0.433 555 A N -0.888 121.901 122.820 -0.050 0.000 1.877 555 A HA -0.234 4.086 4.320 0.000 0.000 0.216 555 A C 2.326 179.961 177.584 0.084 0.000 1.186 555 A CA 1.996 54.021 52.037 -0.018 0.000 0.620 555 A CB -0.545 18.420 19.000 -0.058 0.000 0.822 555 A HN 0.537 nan 8.150 nan 0.000 0.443 556 K N -0.896 119.552 120.400 0.080 0.000 2.097 556 K HA -0.106 4.214 4.320 0.000 0.000 0.206 556 K C 2.091 178.778 176.600 0.146 0.000 1.049 556 K CA 1.710 58.069 56.287 0.119 0.000 0.933 556 K CB -0.420 32.152 32.500 0.121 0.000 0.717 556 K HN 0.485 nan 8.250 nan 0.000 0.442 557 T N 1.156 115.782 114.554 0.119 0.000 2.746 557 T HA -0.103 4.247 4.350 0.000 0.000 0.267 557 T C 1.801 176.539 174.700 0.064 0.000 1.039 557 T CA 1.601 63.772 62.100 0.118 0.000 1.142 557 T CB -0.140 68.657 68.868 -0.117 0.000 0.866 557 T HN 0.215 nan 8.240 nan 0.000 0.444 558 V N -0.468 119.468 119.914 0.037 0.000 3.630 558 V HA 0.492 4.612 4.120 0.000 0.000 0.273 558 V C 1.341 177.506 176.094 0.119 0.000 1.248 558 V CA 0.155 62.493 62.300 0.063 0.000 1.170 558 V CB -1.330 30.536 31.823 0.071 0.000 0.899 558 V HN 0.551 nan 8.190 nan 0.000 0.457 559 G N -0.324 108.555 108.800 0.133 0.000 2.295 559 G HA2 -0.355 3.605 3.960 0.000 0.000 0.287 559 G HA3 -0.355 3.605 3.960 0.000 0.000 0.287 559 G C -0.207 174.756 174.900 0.105 0.000 1.055 559 G CA 0.510 45.678 45.100 0.114 0.000 0.922 559 G HN 0.835 nan 8.290 nan 0.000 0.503 560 Y N -0.727 119.583 120.300 0.017 0.000 2.511 560 Y HA 0.416 4.966 4.550 0.000 0.000 0.347 560 Y C 0.725 176.620 175.900 -0.008 0.000 1.257 560 Y CA 0.513 58.615 58.100 0.003 0.000 1.469 560 Y CB 0.935 39.395 38.460 -0.001 0.000 1.353 560 Y HN 0.294 nan 8.280 nan 0.000 0.617 561 V N 4.293 123.896 119.914 -0.519 0.000 2.888 561 V HA 0.532 4.652 4.120 0.000 0.000 0.309 561 V C -0.039 175.826 176.094 -0.382 0.000 1.114 561 V CA -0.315 61.803 62.300 -0.303 0.000 0.940 561 V CB 1.270 32.946 31.823 -0.244 0.000 1.021 561 V HN 1.063 nan 8.190 nan 0.000 0.426 562 S N 1.673 117.291 115.700 -0.138 0.000 3.786 562 S HA -0.002 4.468 4.470 0.000 0.000 0.632 562 S C -0.001 174.648 174.600 0.082 0.000 2.181 562 S CA 0.721 58.874 58.200 -0.079 0.000 2.807 562 S CB -1.252 61.839 63.200 -0.181 0.000 0.312 562 S HN 2.560 nan 8.310 nan 0.000 1.420 563 A N 0.708 123.586 122.820 0.098 0.000 2.325 563 A HA 0.867 5.187 4.320 0.000 0.000 0.333 563 A C 0.493 178.239 177.584 0.269 0.000 1.155 563 A CA 0.473 52.605 52.037 0.159 0.000 0.814 563 A CB 1.181 20.220 19.000 0.066 0.000 1.206 563 A HN 2.083 nan 8.150 nan 0.000 0.482 564 G N -0.471 108.419 108.800 0.150 0.000 2.623 564 G HA2 0.594 4.554 3.960 0.000 0.000 0.290 564 G HA3 0.594 4.554 3.960 0.000 0.000 0.290 564 G C -1.148 173.706 174.900 -0.077 0.000 1.437 564 G CA -0.372 44.735 45.100 0.012 0.000 0.798 564 G HN 0.778 nan 8.290 nan 0.000 0.488 565 T N 0.093 114.590 114.554 -0.094 0.000 2.841 565 T HA 0.566 4.916 4.350 0.000 0.000 0.283 565 T C -0.601 174.026 174.700 -0.123 0.000 1.000 565 T CA -0.386 61.670 62.100 -0.074 0.000 0.977 565 T CB 1.839 70.684 68.868 -0.038 0.000 0.979 565 T HN 0.478 nan 8.240 nan 0.000 0.446 566 V N 3.529 123.375 119.914 -0.112 0.000 2.334 566 V HA 0.324 4.444 4.120 0.000 0.000 0.281 566 V C 0.131 176.053 176.094 -0.287 0.000 1.016 566 V CA -0.823 61.353 62.300 -0.206 0.000 0.832 566 V CB 1.092 32.819 31.823 -0.159 0.000 0.999 566 V HN 0.844 nan 8.190 nan 0.000 0.439 567 E N 4.070 124.035 120.200 -0.392 0.000 2.259 567 E HA 0.479 4.829 4.350 0.000 0.000 0.281 567 E C -1.371 174.957 176.600 -0.453 0.000 1.027 567 E CA -0.226 56.002 56.400 -0.287 0.000 0.838 567 E CB 1.259 30.843 29.700 -0.194 0.000 1.066 567 E HN 0.604 nan 8.360 nan 0.000 0.401 568 Y N 1.262 121.565 120.300 0.004 0.000 2.650 568 Y HA 0.469 5.019 4.550 0.000 0.000 0.331 568 Y C -0.449 175.513 175.900 0.104 0.000 1.082 568 Y CA -1.137 57.003 58.100 0.066 0.000 1.171 568 Y CB 1.119 39.623 38.460 0.073 0.000 1.326 568 Y HN 0.323 nan 8.280 nan 0.000 0.513 569 L N 2.067 123.518 121.223 0.379 0.000 2.454 569 L HA 0.345 4.685 4.340 0.000 0.000 0.258 569 L C -1.702 175.360 176.870 0.319 0.000 1.025 569 L CA -0.639 54.328 54.840 0.213 0.000 0.901 569 L CB 0.045 42.187 42.059 0.140 0.000 1.210 569 L HN 0.529 nan 8.230 nan 0.000 0.457 570 Y N 2.723 123.118 120.300 0.158 0.000 2.335 570 Y HA 0.545 5.095 4.550 0.000 0.000 0.331 570 Y C 0.334 176.303 175.900 0.114 0.000 1.094 570 Y CA 0.193 58.390 58.100 0.161 0.000 1.253 570 Y CB 1.250 39.790 38.460 0.134 0.000 1.203 570 Y HN 0.597 nan 8.280 nan 0.000 0.508 571 S N 4.574 119.965 115.700 -0.515 0.000 2.565 571 S HA 0.193 4.663 4.470 0.000 0.000 0.290 571 S C 0.712 174.927 174.600 -0.641 0.000 1.150 571 S CA -0.879 57.076 58.200 -0.408 0.000 1.058 571 S CB 1.076 64.184 63.200 -0.153 0.000 1.032 571 S HN 0.845 nan 8.310 nan 0.000 0.510 572 Q N 2.699 122.323 119.800 -0.294 0.000 2.224 572 Q HA -0.232 4.108 4.340 0.000 0.000 0.213 572 Q C 1.385 177.296 176.000 -0.148 0.000 0.998 572 Q CA 2.432 58.137 55.803 -0.163 0.000 0.895 572 Q CB -0.808 27.897 28.738 -0.056 0.000 0.926 572 Q HN 0.919 nan 8.270 nan 0.000 0.417 573 D N -1.034 119.272 120.400 -0.158 0.000 2.146 573 D HA -0.003 4.637 4.640 0.000 0.000 0.209 573 D C 1.331 177.599 176.300 -0.054 0.000 0.973 573 D CA 1.403 55.360 54.000 -0.071 0.000 0.860 573 D CB -0.040 40.738 40.800 -0.036 0.000 1.015 573 D HN 0.385 nan 8.370 nan 0.000 0.465 574 G N 0.467 109.191 108.800 -0.127 0.000 4.553 574 G HA2 0.035 3.995 3.960 0.000 0.000 0.222 574 G HA3 0.035 3.995 3.960 0.000 0.000 0.222 574 G C -0.304 174.662 174.900 0.110 0.000 0.795 574 G CA 0.160 45.304 45.100 0.073 0.000 1.181 574 G HN 0.526 nan 8.290 nan 0.000 0.766 575 S N 0.473 116.142 115.700 -0.051 0.000 2.442 575 S HA 0.838 5.308 4.470 0.000 0.000 0.297 575 S C -0.399 174.166 174.600 -0.059 0.000 1.131 575 S CA -0.914 57.243 58.200 -0.072 0.000 1.092 575 S CB 1.254 64.425 63.200 -0.048 0.000 0.998 575 S HN 1.249 nan 8.310 nan 0.000 0.478 576 F N 0.167 119.980 119.950 -0.229 0.000 2.561 576 F HA 0.860 5.387 4.527 0.000 0.000 0.321 576 F C -0.891 174.628 175.800 -0.470 0.000 1.065 576 F CA -1.136 56.767 58.000 -0.162 0.000 0.934 576 F CB 1.024 40.033 39.000 0.014 0.000 1.215 576 F HN 0.625 nan 8.300 nan 0.000 0.471 577 H N 2.291 121.598 119.070 0.395 0.000 2.771 577 H HA 0.341 4.897 4.556 0.000 0.000 0.361 577 H C -1.389 174.192 175.328 0.421 0.000 1.108 577 H CA -0.893 55.331 56.048 0.292 0.000 1.201 577 H CB 1.746 31.589 29.762 0.134 0.000 1.681 577 H HN 0.822 nan 8.280 nan 0.000 0.534 578 F N 3.128 123.273 119.950 0.326 0.000 2.529 578 F HA 0.125 4.652 4.527 0.000 0.000 0.365 578 F C -0.214 175.561 175.800 -0.043 0.000 1.102 578 F CA 0.231 58.245 58.000 0.023 0.000 1.271 578 F CB 0.465 39.445 39.000 -0.032 0.000 1.120 578 F HN 0.518 nan 8.300 nan 0.000 0.579 579 L N 3.201 123.804 121.223 -1.034 0.000 2.526 579 L HA 0.320 4.660 4.340 0.000 0.000 0.210 579 L C -0.445 175.790 176.870 -1.058 0.000 1.048 579 L CA 0.151 54.551 54.840 -0.734 0.000 0.852 579 L CB 0.083 41.940 42.059 -0.336 0.000 1.128 579 L HN 0.799 nan 8.230 nan 0.000 0.482 580 E N -0.669 118.635 120.200 -1.494 0.000 2.393 580 E HA 0.352 4.702 4.350 0.000 0.000 0.278 580 E C -1.433 174.865 176.600 -0.503 0.000 1.171 580 E CA -0.772 55.125 56.400 -0.838 0.000 0.904 580 E CB 1.585 31.072 29.700 -0.355 0.000 1.309 580 E HN -0.058 nan 8.360 nan 0.000 0.423 581 L N 1.366 122.515 121.223 -0.123 0.000 2.349 581 L HA 0.537 4.877 4.340 0.000 0.000 0.278 581 L C -1.183 175.639 176.870 -0.079 0.000 0.996 581 L CA -0.821 53.967 54.840 -0.086 0.000 0.825 581 L CB 1.540 43.589 42.059 -0.017 0.000 1.243 581 L HN 0.522 nan 8.230 nan 0.000 0.412 582 N N 6.557 125.201 118.700 -0.093 0.000 2.406 582 N HA 0.225 4.965 4.740 0.000 0.000 0.251 582 N C -1.986 173.535 175.510 0.018 0.000 1.069 582 N CA -1.152 51.876 53.050 -0.035 0.000 0.947 582 N CB 1.527 39.993 38.487 -0.035 0.000 1.111 582 N HN 0.456 nan 8.380 nan 0.000 0.497 583 P HA -0.018 nan 4.420 nan 0.000 0.263 583 P C -0.458 176.966 177.300 0.206 0.000 1.386 583 P CA 0.447 63.705 63.100 0.263 0.000 0.797 583 P CB 0.108 31.916 31.700 0.181 0.000 1.381 584 R N -2.053 118.523 120.500 0.128 0.000 2.766 584 R HA 0.582 4.922 4.340 0.000 0.000 0.270 584 R C -1.432 174.896 176.300 0.047 0.000 1.035 584 R CA -1.260 54.875 56.100 0.058 0.000 0.911 584 R CB 0.152 30.467 30.300 0.025 0.000 1.243 584 R HN -0.176 nan 8.270 nan 0.000 0.460 585 L N 1.062 122.300 121.223 0.026 0.000 2.395 585 L HA 0.335 4.675 4.340 0.000 0.000 0.269 585 L C -0.544 176.355 176.870 0.049 0.000 1.133 585 L CA 0.335 55.188 54.840 0.023 0.000 0.812 585 L CB 1.287 43.360 42.059 0.023 0.000 1.125 585 L HN 0.636 nan 8.230 nan 0.000 0.452 586 Q N 1.985 121.727 119.800 -0.097 0.000 2.241 586 Q HA 0.274 4.614 4.340 0.000 0.000 0.262 586 Q C 0.549 176.168 176.000 -0.634 0.000 1.014 586 Q CA -0.682 54.949 55.803 -0.286 0.000 0.885 586 Q CB 1.954 30.589 28.738 -0.172 0.000 1.311 586 Q HN 0.594 nan 8.270 nan 0.000 0.461 587 V N 1.114 120.368 119.914 -1.099 0.000 2.626 587 V HA -0.196 3.924 4.120 0.000 0.000 0.252 587 V C 0.580 176.430 176.094 -0.406 0.000 1.067 587 V CA 1.936 63.541 62.300 -1.158 0.000 1.081 587 V CB -0.066 31.159 31.823 -0.996 0.000 0.686 587 V HN 0.700 nan 8.190 nan 0.000 0.468 588 E N -0.337 119.727 120.200 -0.227 0.000 2.403 588 E HA -0.004 4.346 4.350 0.000 0.000 0.187 588 E C 1.745 178.376 176.600 0.052 0.000 1.073 588 E CA 0.318 56.733 56.400 0.025 0.000 0.888 588 E CB -0.286 29.450 29.700 0.059 0.000 1.035 588 E HN 0.886 nan 8.360 nan 0.000 0.471 589 H N -1.120 117.870 119.070 -0.135 0.000 2.387 589 H HA 0.024 4.580 4.556 0.000 0.000 0.299 589 H C -0.996 174.269 175.328 -0.105 0.000 1.099 589 H CA 0.787 56.785 56.048 -0.084 0.000 1.315 589 H CB -1.617 28.109 29.762 -0.060 0.000 1.380 589 H HN 0.099 nan 8.280 nan 0.000 0.513 590 P HA -0.147 nan 4.420 nan 0.000 0.218 590 P C 1.596 178.699 177.300 -0.329 0.000 1.146 590 P CA 1.620 64.318 63.100 -0.670 0.000 0.820 590 P CB -0.241 30.718 31.700 -1.236 0.000 0.778 591 C N -1.538 117.665 119.300 -0.162 0.000 2.418 591 C HA -0.164 4.296 4.460 0.000 0.000 0.280 591 C C 2.713 177.733 174.990 0.051 0.000 1.223 591 C CA 1.881 60.935 59.018 0.059 0.000 1.736 591 C CB -1.834 25.979 27.740 0.122 0.000 2.056 591 C HN 0.273 nan 8.230 nan 0.000 0.459 592 T N 0.454 115.048 114.554 0.066 0.000 2.759 592 T HA -0.182 4.169 4.350 0.000 0.000 0.269 592 T C 1.596 176.360 174.700 0.106 0.000 1.042 592 T CA 1.560 63.726 62.100 0.110 0.000 1.140 592 T CB -0.407 68.547 68.868 0.144 0.000 0.864 592 T HN 0.643 nan 8.240 nan 0.000 0.455 593 E N 0.493 120.733 120.200 0.068 0.000 2.160 593 E HA -0.090 4.260 4.350 0.000 0.000 0.195 593 E C 2.108 178.741 176.600 0.056 0.000 0.991 593 E CA 1.007 57.444 56.400 0.061 0.000 0.810 593 E CB -0.191 29.521 29.700 0.020 0.000 0.742 593 E HN 0.520 nan 8.360 nan 0.000 0.466 594 M N 0.173 119.813 119.600 0.066 0.000 2.288 594 M HA -0.031 4.449 4.480 0.000 0.000 0.266 594 M C 2.318 178.693 176.300 0.125 0.000 1.072 594 M CA 1.003 56.362 55.300 0.099 0.000 1.132 594 M CB -0.009 32.705 32.600 0.190 0.000 1.386 594 M HN 0.183 nan 8.290 nan 0.000 0.432 595 I N -3.681 116.953 120.570 0.106 0.000 3.603 595 I HA 0.268 4.438 4.170 0.000 0.000 0.297 595 I C 1.573 177.701 176.117 0.019 0.000 1.269 595 I CA 0.389 61.719 61.300 0.050 0.000 1.361 595 I CB -0.095 37.846 38.000 -0.098 0.000 1.063 595 I HN 0.022 nan 8.210 nan 0.000 0.448 596 A N 0.119 123.011 122.820 0.120 0.000 2.508 596 A HA 0.224 4.544 4.320 0.000 0.000 0.250 596 A C 0.293 177.958 177.584 0.134 0.000 1.208 596 A CA -0.087 52.079 52.037 0.215 0.000 0.960 596 A CB 0.025 19.248 19.000 0.372 0.000 1.099 596 A HN 0.366 nan 8.150 nan 0.000 0.542 597 D N -0.191 120.256 120.400 0.079 0.000 2.697 597 D HA -0.118 4.522 4.640 0.000 0.000 0.238 597 D C -0.548 175.785 176.300 0.055 0.000 1.152 597 D CA 1.187 55.213 54.000 0.044 0.000 0.666 597 D CB -1.627 39.188 40.800 0.025 0.000 1.037 597 D HN 0.253 nan 8.370 nan 0.000 0.423 598 V N 0.977 120.931 119.914 0.065 0.000 2.531 598 V HA 0.302 4.422 4.120 0.000 0.000 0.301 598 V C 0.475 176.599 176.094 0.051 0.000 1.034 598 V CA -1.075 61.261 62.300 0.059 0.000 0.865 598 V CB 2.103 33.970 31.823 0.074 0.000 0.995 598 V HN 0.178 nan 8.190 nan 0.000 0.424 599 N N 4.504 123.223 118.700 0.031 0.000 2.482 599 N HA 0.260 5.000 4.740 0.000 0.000 0.242 599 N C 0.848 176.362 175.510 0.008 0.000 1.100 599 N CA -0.023 53.041 53.050 0.025 0.000 0.946 599 N CB 0.981 39.480 38.487 0.021 0.000 1.227 599 N HN 0.698 nan 8.380 nan 0.000 0.508 600 L N 4.558 125.821 121.223 0.067 0.000 1.989 600 L HA -0.108 4.232 4.340 0.000 0.000 0.211 600 L C -0.600 176.272 176.870 0.002 0.000 1.071 600 L CA 1.435 56.307 54.840 0.054 0.000 0.749 600 L CB -1.214 40.918 42.059 0.120 0.000 0.890 600 L HN 0.416 nan 8.230 nan 0.000 0.431 601 P HA -0.173 nan 4.420 nan 0.000 0.218 601 P C 1.287 178.495 177.300 -0.153 0.000 1.148 601 P CA 1.711 64.773 63.100 -0.062 0.000 0.822 601 P CB 0.009 31.619 31.700 -0.149 0.000 0.784 602 A N -0.340 122.361 122.820 -0.198 0.000 1.929 602 A HA 0.011 4.331 4.320 0.000 0.000 0.216 602 A C 2.249 179.550 177.584 -0.471 0.000 1.176 602 A CA 1.633 53.401 52.037 -0.448 0.000 0.628 602 A CB -1.439 17.260 19.000 -0.502 0.000 0.816 602 A HN 0.169 nan 8.150 nan 0.000 0.444 603 A N -0.384 122.283 122.820 -0.257 0.000 1.877 603 A HA -0.235 4.085 4.320 0.000 0.000 0.216 603 A C 2.108 179.605 177.584 -0.146 0.000 1.186 603 A CA 1.688 53.620 52.037 -0.175 0.000 0.620 603 A CB -0.707 18.248 19.000 -0.076 0.000 0.822 603 A HN 0.619 nan 8.150 nan 0.000 0.443 604 Q N -1.197 118.540 119.800 -0.105 0.000 2.133 604 Q HA -0.237 4.103 4.340 0.000 0.000 0.208 604 Q C 2.098 178.041 176.000 -0.095 0.000 0.991 604 Q CA 1.701 57.461 55.803 -0.071 0.000 0.867 604 Q CB -0.398 28.343 28.738 0.005 0.000 0.911 604 Q HN 0.597 nan 8.270 nan 0.000 0.417 605 L N 0.766 121.895 121.223 -0.156 0.000 2.093 605 L HA -0.188 4.152 4.340 0.000 0.000 0.208 605 L C 2.042 178.830 176.870 -0.136 0.000 1.085 605 L CA 1.756 56.502 54.840 -0.157 0.000 0.755 605 L CB -0.265 41.650 42.059 -0.240 0.000 0.904 605 L HN 0.157 nan 8.230 nan 0.000 0.435 606 Q N -0.696 118.982 119.800 -0.203 0.000 2.123 606 Q HA -0.125 4.215 4.340 0.000 0.000 0.199 606 Q C 2.296 178.329 176.000 0.054 0.000 0.966 606 Q CA 1.728 57.522 55.803 -0.014 0.000 0.845 606 Q CB -0.135 28.583 28.738 -0.034 0.000 0.907 606 Q HN 0.550 nan 8.270 nan 0.000 0.439 607 I N 0.813 121.381 120.570 -0.003 0.000 2.315 607 I HA -0.233 3.937 4.170 0.000 0.000 0.248 607 I C 2.263 178.382 176.117 0.003 0.000 1.117 607 I CA 0.837 62.145 61.300 0.013 0.000 1.404 607 I CB -0.275 37.711 38.000 -0.023 0.000 1.071 607 I HN 0.144 nan 8.210 nan 0.000 0.419 608 A N 0.051 122.863 122.820 -0.014 0.000 2.121 608 A HA -0.097 4.223 4.320 0.000 0.000 0.218 608 A C 2.143 179.751 177.584 0.040 0.000 1.154 608 A CA 1.205 53.238 52.037 -0.007 0.000 0.679 608 A CB -0.455 18.534 19.000 -0.019 0.000 0.795 608 A HN 0.416 nan 8.150 nan 0.000 0.458 609 M N -1.531 118.119 119.600 0.084 0.000 2.383 609 M HA 0.208 4.688 4.480 0.000 0.000 0.247 609 M C 1.239 177.626 176.300 0.145 0.000 1.117 609 M CA 0.683 56.063 55.300 0.134 0.000 0.995 609 M CB 0.497 33.234 32.600 0.228 0.000 1.480 609 M HN 0.582 nan 8.290 nan 0.000 0.485 610 G N 0.794 109.673 108.800 0.131 0.000 2.157 610 G HA2 -0.201 3.759 3.960 0.000 0.000 0.248 610 G HA3 -0.201 3.759 3.960 0.000 0.000 0.248 610 G C 0.050 175.151 174.900 0.334 0.000 0.979 610 G CA -0.241 44.988 45.100 0.214 0.000 0.650 610 G HN 0.308 nan 8.290 nan 0.000 0.529 611 V N 3.268 123.314 119.914 0.220 0.000 2.521 611 V HA 0.368 4.488 4.120 0.000 0.000 0.286 611 V C -0.997 175.240 176.094 0.237 0.000 1.034 611 V CA -0.605 61.798 62.300 0.172 0.000 1.045 611 V CB 1.136 33.029 31.823 0.118 0.000 0.974 611 V HN 0.314 nan 8.190 nan 0.000 0.480 612 P HA 0.179 nan 4.420 nan 0.000 0.286 612 P C 0.774 178.137 177.300 0.105 0.000 1.269 612 P CA -0.496 62.731 63.100 0.211 0.000 0.787 612 P CB 1.623 33.328 31.700 0.007 0.000 0.920 613 L N 3.926 125.281 121.223 0.220 0.000 2.143 613 L HA -0.265 4.075 4.340 0.000 0.000 0.231 613 L C 2.521 179.548 176.870 0.261 0.000 1.106 613 L CA 2.720 57.676 54.840 0.193 0.000 0.827 613 L CB -2.332 39.805 42.059 0.130 0.000 0.915 613 L HN 0.673 nan 8.230 nan 0.000 0.448 614 H N -2.388 116.870 119.070 0.314 0.000 2.568 614 H HA 0.019 4.575 4.556 0.000 0.000 0.281 614 H C 1.367 176.764 175.328 0.116 0.000 1.028 614 H CA 0.700 56.855 56.048 0.178 0.000 1.199 614 H CB -0.124 29.631 29.762 -0.011 0.000 1.352 614 H HN 0.185 nan 8.280 nan 0.000 0.605 615 R N 0.665 120.992 120.500 -0.288 0.000 2.509 615 R HA 0.291 4.631 4.340 0.000 0.000 0.300 615 R C -0.550 175.826 176.300 0.127 0.000 0.985 615 R CA -0.174 55.852 56.100 -0.125 0.000 1.092 615 R CB 0.576 30.739 30.300 -0.229 0.000 1.237 615 R HN 0.349 nan 8.270 nan 0.000 0.546 616 L N 1.550 122.828 121.223 0.092 0.000 2.262 616 L HA 0.265 4.605 4.340 0.000 0.000 0.288 616 L C 1.773 178.682 176.870 0.065 0.000 1.035 616 L CA -0.426 54.475 54.840 0.103 0.000 0.820 616 L CB 1.555 43.653 42.059 0.065 0.000 1.204 616 L HN -0.176 nan 8.230 nan 0.000 0.424 617 K N 1.967 122.386 120.400 0.033 0.000 2.077 617 K HA -0.248 4.072 4.320 0.000 0.000 0.213 617 K C 0.923 177.463 176.600 -0.100 0.000 1.051 617 K CA 2.155 58.341 56.287 -0.169 0.000 0.929 617 K CB 0.192 32.475 32.500 -0.362 0.000 0.715 617 K HN 0.661 nan 8.250 nan 0.000 0.451 618 D N 0.369 120.759 120.400 -0.016 0.000 2.178 618 D HA -0.136 4.504 4.640 0.000 0.000 0.201 618 D C 1.893 178.232 176.300 0.065 0.000 0.980 618 D CA 0.732 54.742 54.000 0.017 0.000 0.842 618 D CB -0.006 40.815 40.800 0.035 0.000 0.948 618 D HN 0.228 nan 8.370 nan 0.000 0.472 619 I N 0.546 121.174 120.570 0.097 0.000 2.400 619 I HA -0.070 4.100 4.170 0.000 0.000 0.248 619 I C 2.284 178.563 176.117 0.271 0.000 1.109 619 I CA 0.674 62.096 61.300 0.203 0.000 1.425 619 I CB -0.666 37.441 38.000 0.179 0.000 1.094 619 I HN -0.007 nan 8.210 nan 0.000 0.425 620 R N 0.753 121.346 120.500 0.156 0.000 2.094 620 R HA -0.165 4.175 4.340 0.000 0.000 0.239 620 R C 2.349 178.713 176.300 0.108 0.000 1.137 620 R CA 1.318 57.494 56.100 0.126 0.000 0.943 620 R CB -0.563 29.740 30.300 0.005 0.000 0.850 620 R HN 0.320 nan 8.270 nan 0.000 0.433 621 L N 0.533 121.772 121.223 0.026 0.000 2.042 621 L HA -0.197 4.143 4.340 0.000 0.000 0.210 621 L C 2.527 179.430 176.870 0.055 0.000 1.076 621 L CA 0.840 55.685 54.840 0.008 0.000 0.749 621 L CB -0.508 41.528 42.059 -0.038 0.000 0.893 621 L HN 0.199 nan 8.230 nan 0.000 0.432 622 L N -1.243 120.035 121.223 0.092 0.000 2.191 622 L HA -0.211 4.130 4.340 0.000 0.000 0.212 622 L C 1.784 178.619 176.870 -0.059 0.000 1.103 622 L CA 1.702 56.575 54.840 0.055 0.000 0.769 622 L CB -0.409 41.707 42.059 0.094 0.000 0.908 622 L HN 0.125 nan 8.230 nan 0.000 0.438 623 Y N -0.368 119.986 120.300 0.090 0.000 2.468 623 Y HA 0.354 4.904 4.550 0.000 0.000 0.268 623 Y C 1.780 177.717 175.900 0.062 0.000 1.177 623 Y CA 0.309 58.467 58.100 0.098 0.000 1.265 623 Y CB 0.143 38.690 38.460 0.144 0.000 1.103 623 Y HN 0.256 nan 8.280 nan 0.000 0.522 624 G N -0.238 108.623 108.800 0.101 0.000 2.184 624 G HA2 -0.268 3.692 3.960 0.000 0.000 0.264 624 G HA3 -0.268 3.692 3.960 0.000 0.000 0.264 624 G C 0.474 175.411 174.900 0.062 0.000 0.975 624 G CA 0.314 45.453 45.100 0.065 0.000 0.642 624 G HN 0.259 nan 8.290 nan 0.000 0.536 625 E N 0.286 120.535 120.200 0.082 0.000 2.855 625 E HA 0.454 4.804 4.350 0.000 0.000 0.259 625 E C 0.740 177.336 176.600 -0.006 0.000 1.390 625 E CA 0.018 56.445 56.400 0.044 0.000 1.069 625 E CB 0.273 30.008 29.700 0.059 0.000 1.172 625 E HN 0.187 nan 8.360 nan 0.000 0.668 626 S N 0.407 116.093 115.700 -0.024 0.000 2.548 626 S HA 0.115 4.585 4.470 0.000 0.000 0.277 626 S C -1.761 172.730 174.600 -0.181 0.000 1.315 626 S CA -1.406 56.753 58.200 -0.068 0.000 1.050 626 S CB 0.517 63.701 63.200 -0.026 0.000 0.918 626 S HN 0.082 nan 8.310 nan 0.000 0.497 627 P HA -0.054 nan 4.420 nan 0.000 0.216 627 P C -0.128 176.539 177.300 -1.055 0.000 1.150 627 P CA 1.511 64.131 63.100 -0.800 0.000 0.843 627 P CB 0.057 31.148 31.700 -1.015 0.000 0.787 628 W N -1.877 119.332 121.300 -0.152 0.000 2.702 628 W HA 0.447 5.107 4.660 0.000 0.000 0.369 628 W C 1.141 177.596 176.519 -0.107 0.000 0.987 628 W CA -0.468 56.803 57.345 -0.125 0.000 1.702 628 W CB -0.561 28.753 29.460 -0.244 0.000 1.138 628 W HN -0.192 nan 8.180 nan 0.000 0.552 629 G N 0.730 109.554 108.800 0.040 0.000 2.750 629 G HA2 0.198 4.158 3.960 0.000 0.000 0.250 629 G HA3 0.198 4.158 3.960 0.000 0.000 0.250 629 G C 0.439 175.354 174.900 0.024 0.000 1.230 629 G CA 0.065 45.183 45.100 0.030 0.000 0.883 629 G HN 0.001 nan 8.290 nan 0.000 0.573 630 V N -0.193 119.734 119.914 0.022 0.000 3.528 630 V HA 0.084 4.204 4.120 0.000 0.000 0.294 630 V C 1.217 177.367 176.094 0.095 0.000 1.404 630 V CA 0.360 62.686 62.300 0.043 0.000 1.065 630 V CB -0.306 31.518 31.823 0.001 0.000 0.904 630 V HN 0.675 nan 8.190 nan 0.000 0.435 631 T N 3.777 118.359 114.554 0.046 0.000 2.933 631 T HA 0.124 4.474 4.350 0.000 0.000 0.306 631 T C -2.196 172.489 174.700 -0.025 0.000 1.045 631 T CA -0.117 61.983 62.100 -0.001 0.000 1.143 631 T CB 0.483 69.342 68.868 -0.015 0.000 1.003 631 T HN 0.202 nan 8.240 nan 0.000 0.540 632 P HA 0.336 nan 4.420 nan 0.000 0.271 632 P C -0.511 176.594 177.300 -0.325 0.000 1.216 632 P CA -0.280 62.591 63.100 -0.382 0.000 0.776 632 P CB 0.451 31.939 31.700 -0.354 0.000 0.881 633 I N 1.000 121.271 120.570 -0.497 0.000 2.433 633 I HA 0.208 4.378 4.170 0.000 0.000 0.292 633 I C 0.422 176.042 176.117 -0.829 0.000 1.001 633 I CA -0.603 60.339 61.300 -0.596 0.000 1.119 633 I CB 1.831 39.413 38.000 -0.696 0.000 1.289 633 I HN 0.197 nan 8.210 nan 0.000 0.438 634 S N 5.201 120.612 115.700 -0.481 0.000 2.485 634 S HA 0.268 4.738 4.470 0.000 0.000 0.312 634 S C 0.918 175.355 174.600 -0.271 0.000 1.102 634 S CA -0.403 57.590 58.200 -0.345 0.000 1.066 634 S CB -0.091 63.020 63.200 -0.149 0.000 1.102 634 S HN 0.425 nan 8.310 nan 0.000 0.519 635 F N 2.728 122.596 119.950 -0.137 0.000 2.134 635 F HA -0.009 4.518 4.527 0.000 0.000 0.299 635 F C 2.346 178.157 175.800 0.018 0.000 1.097 635 F CA 1.248 59.161 58.000 -0.145 0.000 1.264 635 F CB -0.660 38.236 39.000 -0.172 0.000 1.001 635 F HN 0.618 nan 8.300 nan 0.000 0.479 636 E N 0.274 120.580 120.200 0.177 0.000 2.038 636 E HA -0.189 4.161 4.350 0.000 0.000 0.195 636 E C 0.367 177.033 176.600 0.110 0.000 1.000 636 E CA 1.798 58.276 56.400 0.130 0.000 0.803 636 E CB -0.109 29.644 29.700 0.087 0.000 0.750 636 E HN 0.330 nan 8.360 nan 0.000 0.448 637 T N 0.864 115.466 114.554 0.080 0.000 3.401 637 T HA 0.392 4.742 4.350 0.000 0.000 0.341 637 T C -2.453 172.292 174.700 0.074 0.000 1.674 637 T CA -1.692 60.450 62.100 0.070 0.000 1.600 637 T CB 1.133 70.025 68.868 0.040 0.000 0.974 637 T HN 0.031 nan 8.240 nan 0.000 0.672 638 P HA 0.164 nan 4.420 nan 0.000 0.272 638 P C 1.021 178.388 177.300 0.111 0.000 1.223 638 P CA -0.292 62.907 63.100 0.166 0.000 0.784 638 P CB 1.225 33.144 31.700 0.365 0.000 0.923 639 S N 0.483 116.238 115.700 0.093 0.000 2.527 639 S HA 0.023 4.493 4.470 0.000 0.000 0.222 639 S C 0.629 175.268 174.600 0.066 0.000 0.985 639 S CA 0.140 58.377 58.200 0.062 0.000 0.921 639 S CB -0.488 62.737 63.200 0.042 0.000 0.772 639 S HN 0.468 nan 8.310 nan 0.000 0.529 640 N N 2.333 121.086 118.700 0.089 0.000 2.725 640 N HA 0.323 5.063 4.740 0.000 0.000 0.248 640 N C -3.326 172.199 175.510 0.024 0.000 1.402 640 N CA -1.034 52.050 53.050 0.057 0.000 0.766 640 N CB 1.524 40.043 38.487 0.052 0.000 1.223 640 N HN 0.157 nan 8.380 nan 0.000 0.515 641 P HA 0.041 nan 4.420 nan 0.000 0.256 641 P C -2.078 175.198 177.300 -0.041 0.000 1.189 641 P CA -0.364 62.736 63.100 0.001 0.000 0.808 641 P CB -0.150 31.576 31.700 0.043 0.000 0.793 642 P HA -0.046 nan 4.420 nan 0.000 0.266 642 P C -0.767 176.646 177.300 0.188 0.000 1.186 642 P CA 0.738 63.787 63.100 -0.085 0.000 0.767 642 P CB 0.760 32.271 31.700 -0.316 0.000 0.820 643 L N 1.425 122.779 121.223 0.218 0.000 2.362 643 L HA 0.562 4.902 4.340 0.000 0.000 0.275 643 L C 0.598 177.468 176.870 -0.000 0.000 0.998 643 L CA -1.303 53.640 54.840 0.170 0.000 0.820 643 L CB 1.933 44.030 42.059 0.063 0.000 1.270 643 L HN 0.372 nan 8.230 nan 0.000 0.415 644 A N 3.057 125.572 122.820 -0.507 0.000 2.462 644 A HA 0.243 4.563 4.320 0.000 0.000 0.243 644 A C 0.181 177.612 177.584 -0.255 0.000 1.076 644 A CA -0.118 51.431 52.037 -0.815 0.000 0.773 644 A CB 0.190 18.442 19.000 -1.247 0.000 1.010 644 A HN 0.812 nan 8.150 nan 0.000 0.493 645 R N 2.327 122.769 120.500 -0.097 0.000 2.287 645 R HA 0.463 4.803 4.340 0.000 0.000 0.327 645 R C 0.693 177.162 176.300 0.282 0.000 1.109 645 R CA 1.046 57.206 56.100 0.099 0.000 1.013 645 R CB -0.498 29.876 30.300 0.123 0.000 1.126 645 R HN 1.716 nan 8.270 nan 0.000 0.503 646 G N 2.213 111.102 108.800 0.148 0.000 2.615 646 G HA2 -0.282 3.678 3.960 0.000 0.000 0.218 646 G HA3 -0.282 3.678 3.960 0.000 0.000 0.218 646 G C -1.370 173.460 174.900 -0.118 0.000 1.339 646 G CA -0.193 44.886 45.100 -0.035 0.000 0.884 646 G HN 0.792 nan 8.290 nan 0.000 0.559 647 H N -2.034 116.789 119.070 -0.410 0.000 2.895 647 H HA 0.725 5.281 4.556 0.000 0.000 0.373 647 H C -0.704 174.480 175.328 -0.239 0.000 1.174 647 H CA -0.150 55.735 56.048 -0.271 0.000 1.144 647 H CB 2.231 31.834 29.762 -0.265 0.000 1.793 647 H HN 0.740 nan 8.280 nan 0.000 0.551 648 V N 4.662 124.357 119.914 -0.364 0.000 2.789 648 V HA 0.411 4.531 4.120 0.000 0.000 0.311 648 V C -0.805 175.262 176.094 -0.044 0.000 1.073 648 V CA -0.774 61.473 62.300 -0.088 0.000 0.921 648 V CB 1.966 33.806 31.823 0.028 0.000 1.009 648 V HN 0.578 nan 8.190 nan 0.000 0.426 649 I N 2.705 123.304 120.570 0.047 0.000 2.569 649 I HA 0.848 5.018 4.170 0.000 0.000 0.296 649 I C 0.087 176.190 176.117 -0.024 0.000 1.028 649 I CA -0.628 60.699 61.300 0.046 0.000 1.082 649 I CB 1.820 39.860 38.000 0.067 0.000 1.264 649 I HN 0.774 nan 8.210 nan 0.000 0.429 650 A N 4.301 127.077 122.820 -0.074 0.000 2.398 650 A HA 0.915 5.235 4.320 0.000 0.000 0.301 650 A C -0.896 176.548 177.584 -0.235 0.000 1.041 650 A CA -0.524 51.365 52.037 -0.247 0.000 0.711 650 A CB 1.685 20.577 19.000 -0.180 0.000 1.240 650 A HN 0.847 nan 8.150 nan 0.000 0.420 651 A N 2.102 124.718 122.820 -0.341 0.000 2.371 651 A HA 0.780 5.100 4.320 0.000 0.000 0.311 651 A C -0.138 177.200 177.584 -0.411 0.000 1.068 651 A CA -0.671 51.181 52.037 -0.309 0.000 0.744 651 A CB 0.979 19.802 19.000 -0.295 0.000 1.239 651 A HN 0.889 nan 8.150 nan 0.000 0.435 652 R N 2.710 122.975 120.500 -0.393 0.000 2.221 652 R HA 0.571 4.911 4.340 0.000 0.000 0.327 652 R C -0.607 175.556 176.300 -0.228 0.000 1.033 652 R CA -0.267 55.516 56.100 -0.530 0.000 0.887 652 R CB 0.269 30.313 30.300 -0.427 0.000 1.057 652 R HN 0.785 nan 8.270 nan 0.000 0.455 653 I N 0.555 121.045 120.570 -0.133 0.000 2.797 653 I HA 0.652 4.822 4.170 0.000 0.000 0.307 653 I C -0.722 175.618 176.117 0.371 0.000 1.033 653 I CA -0.819 60.548 61.300 0.112 0.000 1.071 653 I CB 2.471 40.530 38.000 0.098 0.000 1.255 653 I HN 0.582 nan 8.210 nan 0.000 0.445 654 T N 0.249 115.085 114.554 0.471 0.000 2.909 654 T HA 0.403 4.753 4.350 0.000 0.000 0.299 654 T C -0.304 174.608 174.700 0.353 0.000 1.073 654 T CA -0.714 61.681 62.100 0.492 0.000 0.999 654 T CB 1.560 70.587 68.868 0.265 0.000 1.098 654 T HN 0.773 nan 8.240 nan 0.000 0.477 655 S N 0.433 116.319 115.700 0.311 0.000 2.600 655 S HA 0.324 4.794 4.470 0.000 0.000 0.265 655 S C 0.333 174.818 174.600 -0.192 0.000 1.325 655 S CA -0.272 57.764 58.200 -0.273 0.000 1.002 655 S CB 0.595 63.753 63.200 -0.069 0.000 0.921 655 S HN 0.858 nan 8.310 nan 0.000 0.554 667 G N 0.529 109.342 108.800 0.021 0.000 2.357 667 G HA2 0.403 4.363 3.960 0.000 0.000 0.643 667 G HA3 0.403 4.363 3.960 0.000 0.000 0.643 667 G C 0.105 175.036 174.900 0.052 0.000 1.358 667 G CA 0.633 45.749 45.100 0.026 0.000 0.986 667 G HN 2.012 nan 8.290 nan 0.000 0.620 668 T N -3.343 111.252 114.554 0.067 0.000 2.999 668 T HA 0.557 4.907 4.350 0.000 0.000 0.247 668 T C 0.823 175.574 174.700 0.085 0.000 1.012 668 T CA 1.125 63.276 62.100 0.086 0.000 1.048 668 T CB 0.592 69.539 68.868 0.131 0.000 1.020 668 T HN 1.830 nan 8.240 nan 0.000 0.478 669 V N 1.690 121.668 119.914 0.107 0.000 2.588 669 V HA 0.595 4.715 4.120 0.000 0.000 0.304 669 V C -1.716 174.474 176.094 0.159 0.000 1.042 669 V CA -0.855 61.528 62.300 0.138 0.000 0.877 669 V CB 1.853 33.761 31.823 0.142 0.000 0.996 669 V HN 0.539 nan 8.190 nan 0.000 0.425 670 Q N 4.528 124.459 119.800 0.218 0.000 2.333 670 Q HA 0.436 4.776 4.340 0.000 0.000 0.268 670 Q C -0.601 175.539 176.000 0.233 0.000 1.007 670 Q CA -0.499 55.424 55.803 0.200 0.000 0.810 670 Q CB 1.728 30.595 28.738 0.214 0.000 1.264 670 Q HN 0.891 nan 8.270 nan 0.000 0.452 671 E N 4.081 124.383 120.200 0.170 0.000 2.316 671 E HA 0.235 4.585 4.350 0.000 0.000 0.275 671 E C -0.984 175.671 176.600 0.092 0.000 1.029 671 E CA -0.262 56.247 56.400 0.183 0.000 0.871 671 E CB 0.730 30.501 29.700 0.118 0.000 1.022 671 E HN 0.571 nan 8.360 nan 0.000 0.418 672 L N 4.217 125.486 121.223 0.077 0.000 2.307 672 L HA 0.380 4.720 4.340 0.000 0.000 0.282 672 L C -0.523 176.117 176.870 -0.384 0.000 1.051 672 L CA -0.720 54.002 54.840 -0.198 0.000 0.804 672 L CB 1.325 43.219 42.059 -0.274 0.000 1.197 672 L HN 0.564 nan 8.230 nan 0.000 0.431 673 N N 2.309 120.682 118.700 -0.544 0.000 2.284 673 N HA 0.605 5.345 4.740 0.000 0.000 0.300 673 N C -1.473 173.663 175.510 -0.623 0.000 1.047 673 N CA -0.357 52.431 53.050 -0.436 0.000 0.821 673 N CB 1.672 40.058 38.487 -0.168 0.000 1.337 673 N HN 0.219 nan 8.380 nan 0.000 0.482 674 F N 0.872 120.855 119.950 0.054 0.000 2.445 674 F HA 0.441 4.968 4.527 0.000 0.000 0.348 674 F C 1.417 177.237 175.800 0.033 0.000 1.125 674 F CA -0.852 57.167 58.000 0.031 0.000 0.983 674 F CB 1.530 40.549 39.000 0.032 0.000 1.198 674 F HN 0.353 nan 8.300 nan 0.000 0.436 675 R N 0.594 121.203 120.500 0.183 0.000 2.153 675 R HA -0.028 4.312 4.340 0.000 0.000 0.218 675 R C 1.546 177.912 176.300 0.111 0.000 1.072 675 R CA 1.000 57.168 56.100 0.114 0.000 0.990 675 R CB -0.118 30.226 30.300 0.073 0.000 0.889 675 R HN 0.520 nan 8.270 nan 0.000 0.452 676 S N 0.924 116.699 115.700 0.125 0.000 2.396 676 S HA -0.093 4.377 4.470 0.000 0.000 0.204 676 S C 1.137 175.775 174.600 0.063 0.000 1.060 676 S CA 0.588 58.831 58.200 0.071 0.000 1.098 676 S CB -0.237 62.985 63.200 0.038 0.000 1.022 676 S HN 0.217 nan 8.310 nan 0.000 0.413 677 S N 1.165 116.891 115.700 0.043 0.000 2.601 677 S HA 0.257 4.727 4.470 0.000 0.000 0.271 677 S C 0.737 175.407 174.600 0.117 0.000 1.305 677 S CA -0.636 57.587 58.200 0.039 0.000 1.022 677 S CB 0.627 63.801 63.200 -0.043 0.000 0.940 677 S HN 0.511 nan 8.310 nan 0.000 0.525 678 K N 1.809 122.286 120.400 0.128 0.000 2.402 678 K HA 0.296 4.616 4.320 0.000 0.000 0.203 678 K C 0.045 176.766 176.600 0.202 0.000 1.077 678 K CA -0.259 56.126 56.287 0.163 0.000 1.051 678 K CB 0.084 32.658 32.500 0.124 0.000 0.907 678 K HN 0.322 nan 8.250 nan 0.000 0.554 679 N N 1.629 120.459 118.700 0.216 0.000 2.320 679 N HA 0.122 4.862 4.740 0.000 0.000 0.237 679 N C -0.978 174.719 175.510 0.311 0.000 1.129 679 N CA 0.082 53.313 53.050 0.301 0.000 0.854 679 N CB 1.177 39.901 38.487 0.395 0.000 1.083 679 N HN -0.036 nan 8.380 nan 0.000 0.504 680 V N 1.231 121.320 119.914 0.291 0.000 2.823 680 V HA 0.613 4.733 4.120 0.000 0.000 0.312 680 V C -0.697 175.738 176.094 0.570 0.000 1.072 680 V CA -0.911 61.563 62.300 0.290 0.000 0.937 680 V CB 2.751 34.572 31.823 -0.004 0.000 1.013 680 V HN 0.229 nan 8.190 nan 0.000 0.430 681 W N 2.352 123.898 121.300 0.410 0.000 3.074 681 W HA 0.877 5.537 4.660 0.000 0.000 0.332 681 W C -0.593 176.204 176.519 0.464 0.000 1.253 681 W CA -0.452 57.135 57.345 0.403 0.000 1.180 681 W CB 1.518 31.133 29.460 0.259 0.000 1.445 681 W HN 0.930 nan 8.180 nan 0.000 0.573 682 G N 0.854 110.034 108.800 0.633 0.000 2.554 682 G HA2 0.723 4.683 3.960 0.000 0.000 0.306 682 G HA3 0.723 4.683 3.960 0.000 0.000 0.306 682 G C -2.399 172.831 174.900 0.549 0.000 1.320 682 G CA -0.386 44.927 45.100 0.355 0.000 0.800 682 G HN 1.298 nan 8.290 nan 0.000 0.481 683 Y N -2.382 118.081 120.300 0.272 0.000 2.689 683 Y HA 0.838 5.388 4.550 0.000 0.000 0.333 683 Y C -2.130 173.936 175.900 0.277 0.000 1.208 683 Y CA -2.605 55.659 58.100 0.274 0.000 1.055 683 Y CB 1.789 40.434 38.460 0.308 0.000 1.304 683 Y HN 0.805 nan 8.280 nan 0.000 0.455 684 F N 2.242 122.215 119.950 0.038 0.000 2.730 684 F HA 0.583 5.110 4.527 0.000 0.000 0.335 684 F C -1.099 174.709 175.800 0.013 0.000 1.212 684 F CA -0.613 57.337 58.000 -0.082 0.000 1.016 684 F CB 1.722 40.756 39.000 0.056 0.000 1.290 684 F HN 0.743 nan 8.300 nan 0.000 0.495 685 S N 5.571 120.928 115.700 -0.572 0.000 2.452 685 S HA 0.702 5.172 4.470 0.000 0.000 0.284 685 S C -0.236 174.105 174.600 -0.433 0.000 1.171 685 S CA -0.467 57.514 58.200 -0.365 0.000 1.064 685 S CB 1.189 64.163 63.200 -0.376 0.000 0.967 685 S HN 0.794 nan 8.310 nan 0.000 0.484 700 F N -0.229 119.438 119.950 -0.472 0.000 2.675 700 F HA 0.954 5.481 4.527 0.000 0.000 0.324 700 F C -0.219 175.199 175.800 -0.636 0.000 1.106 700 F CA -0.029 57.721 58.000 -0.417 0.000 0.970 700 F CB 1.639 40.554 39.000 -0.141 0.000 1.385 700 F HN 0.319 nan 8.300 nan 0.000 0.489 701 G N -0.128 108.470 108.800 -0.336 0.000 2.488 701 G HA2 0.543 4.503 3.960 0.000 0.000 0.301 701 G HA3 0.543 4.503 3.960 0.000 0.000 0.301 701 G C -2.648 172.003 174.900 -0.415 0.000 1.339 701 G CA -0.846 43.902 45.100 -0.586 0.000 0.803 701 G HN 0.976 nan 8.290 nan 0.000 0.482 702 H N -2.264 116.306 119.070 -0.832 0.000 2.928 702 H HA 0.739 5.295 4.556 0.000 0.000 0.371 702 H C -1.027 173.938 175.328 -0.604 0.000 1.186 702 H CA -0.323 55.388 56.048 -0.562 0.000 1.134 702 H CB 2.278 31.795 29.762 -0.409 0.000 1.824 702 H HN 0.626 nan 8.280 nan 0.000 0.554 703 C N 2.385 121.321 119.300 -0.608 0.000 2.547 703 C HA 0.553 5.013 4.460 0.000 0.000 0.313 703 C C -1.231 173.284 174.990 -0.792 0.000 1.191 703 C CA -0.776 57.945 59.018 -0.495 0.000 1.474 703 C CB -0.349 27.218 27.740 -0.289 0.000 2.081 703 C HN 0.622 nan 8.230 nan 0.000 0.476 704 F N 2.226 121.896 119.950 -0.467 0.000 2.477 704 F HA 0.532 5.059 4.527 0.000 0.000 0.335 704 F C 0.436 176.132 175.800 -0.174 0.000 1.130 704 F CA -0.264 57.508 58.000 -0.380 0.000 0.948 704 F CB 1.686 40.321 39.000 -0.609 0.000 1.154 704 F HN 0.453 nan 8.300 nan 0.000 0.439 705 S N 3.916 119.664 115.700 0.081 0.000 2.449 705 S HA 0.491 4.961 4.470 0.000 0.000 0.310 705 S C -1.345 173.372 174.600 0.194 0.000 1.096 705 S CA -0.425 57.841 58.200 0.110 0.000 1.095 705 S CB 0.519 63.718 63.200 -0.002 0.000 1.007 705 S HN 0.606 nan 8.310 nan 0.000 0.474 706 W N 3.907 125.263 121.300 0.094 0.000 2.570 706 W HA 0.736 5.396 4.660 0.000 0.000 0.337 706 W C -0.070 176.487 176.519 0.064 0.000 1.067 706 W CA -0.128 57.268 57.345 0.085 0.000 1.229 706 W CB 1.530 31.050 29.460 0.099 0.000 1.355 706 W HN 0.887 nan 8.180 nan 0.000 0.555 707 G N 3.509 111.643 108.800 -1.109 0.000 2.733 707 G HA2 0.209 4.169 3.960 0.000 0.000 0.297 707 G HA3 0.209 4.169 3.960 0.000 0.000 0.297 707 G C 0.039 174.049 174.900 -1.484 0.000 1.422 707 G CA -0.626 43.884 45.100 -0.984 0.000 0.942 707 G HN 0.487 nan 8.290 nan 0.000 0.510 708 E N 0.400 120.017 120.200 -0.973 0.000 2.171 708 E HA -0.162 4.188 4.350 0.000 0.000 0.197 708 E C 0.797 177.166 176.600 -0.386 0.000 0.997 708 E CA 1.559 57.629 56.400 -0.549 0.000 0.810 708 E CB -0.377 29.221 29.700 -0.170 0.000 0.738 708 E HN 0.771 nan 8.360 nan 0.000 0.467 709 N N -1.452 117.033 118.700 -0.359 0.000 2.732 709 N HA 0.282 5.022 4.740 0.000 0.000 0.259 709 N C 0.457 175.782 175.510 -0.308 0.000 1.402 709 N CA -0.852 52.036 53.050 -0.270 0.000 0.829 709 N CB 1.851 40.215 38.487 -0.206 0.000 1.495 709 N HN -0.182 nan 8.380 nan 0.000 0.511 710 R N 0.493 120.732 120.500 -0.435 0.000 2.134 710 R HA -0.310 4.030 4.340 0.000 0.000 0.248 710 R C 1.843 177.921 176.300 -0.370 0.000 1.143 710 R CA 2.750 58.431 56.100 -0.698 0.000 0.957 710 R CB -0.391 29.332 30.300 -0.962 0.000 0.867 710 R HN 0.791 nan 8.270 nan 0.000 0.441 711 E N 0.501 120.526 120.200 -0.292 0.000 2.070 711 E HA -0.231 4.119 4.350 0.000 0.000 0.197 711 E C 1.592 178.096 176.600 -0.160 0.000 1.004 711 E CA 1.995 58.272 56.400 -0.205 0.000 0.805 711 E CB -0.238 29.359 29.700 -0.171 0.000 0.744 711 E HN 0.372 nan 8.360 nan 0.000 0.451 712 E N -0.109 119.985 120.200 -0.176 0.000 2.208 712 E HA -0.011 4.339 4.350 0.000 0.000 0.193 712 E C 1.900 178.414 176.600 -0.145 0.000 0.988 712 E CA 0.951 57.259 56.400 -0.153 0.000 0.828 712 E CB -0.238 29.351 29.700 -0.185 0.000 0.763 712 E HN 0.442 nan 8.360 nan 0.000 0.478 713 A N 1.179 123.900 122.820 -0.164 0.000 1.855 713 A HA -0.119 4.201 4.320 0.000 0.000 0.215 713 A C 2.291 179.856 177.584 -0.032 0.000 1.191 713 A CA 1.012 52.993 52.037 -0.093 0.000 0.613 713 A CB -0.585 18.414 19.000 -0.001 0.000 0.829 713 A HN 0.167 nan 8.150 nan 0.000 0.442 714 I N -0.654 119.901 120.570 -0.025 0.000 2.142 714 I HA -0.225 3.945 4.170 0.000 0.000 0.240 714 I C 2.816 178.926 176.117 -0.012 0.000 1.078 714 I CA 1.461 62.782 61.300 0.034 0.000 1.343 714 I CB -0.598 37.438 38.000 0.059 0.000 1.046 714 I HN 0.433 nan 8.210 nan 0.000 0.405 715 S N 1.463 117.137 115.700 -0.044 0.000 2.377 715 S HA -0.298 4.172 4.470 0.000 0.000 0.224 715 S C 1.797 176.361 174.600 -0.060 0.000 1.042 715 S CA 2.498 60.667 58.200 -0.052 0.000 1.086 715 S CB -0.759 62.405 63.200 -0.060 0.000 0.995 715 S HN 0.481 nan 8.310 nan 0.000 0.428 716 N N 0.326 118.991 118.700 -0.058 0.000 2.036 716 N HA -0.225 4.515 4.740 0.000 0.000 0.195 716 N C 1.930 177.373 175.510 -0.110 0.000 1.037 716 N CA 1.792 54.805 53.050 -0.061 0.000 0.855 716 N CB -0.327 38.148 38.487 -0.020 0.000 1.033 716 N HN 0.411 nan 8.380 nan 0.000 0.423 717 M N 1.532 121.069 119.600 -0.105 0.000 2.089 717 M HA -0.150 4.330 4.480 0.000 0.000 0.257 717 M C 1.838 178.018 176.300 -0.200 0.000 1.071 717 M CA 1.500 56.703 55.300 -0.162 0.000 1.096 717 M CB -0.627 31.902 32.600 -0.117 0.000 1.330 717 M HN -0.045 nan 8.290 nan 0.000 0.403 718 V N -0.487 119.342 119.914 -0.141 0.000 2.233 718 V HA -0.288 3.832 4.120 0.000 0.000 0.247 718 V C 2.418 178.419 176.094 -0.155 0.000 1.050 718 V CA 2.060 64.276 62.300 -0.139 0.000 1.010 718 V CB -1.068 30.702 31.823 -0.090 0.000 0.637 718 V HN 0.475 nan 8.190 nan 0.000 0.444 719 V N 0.429 120.263 119.914 -0.132 0.000 2.546 719 V HA -0.271 3.849 4.120 0.000 0.000 0.254 719 V C 2.559 178.541 176.094 -0.187 0.000 1.076 719 V CA 1.919 64.146 62.300 -0.122 0.000 1.087 719 V CB -1.434 30.338 31.823 -0.084 0.000 0.674 719 V HN 0.560 nan 8.190 nan 0.000 0.470 720 A N -0.061 122.575 122.820 -0.306 0.000 1.874 720 A HA -0.005 4.315 4.320 0.000 0.000 0.214 720 A C 2.190 179.466 177.584 -0.515 0.000 1.189 720 A CA 1.248 52.928 52.037 -0.595 0.000 0.615 720 A CB -0.415 18.052 19.000 -0.889 0.000 0.830 720 A HN 0.475 nan 8.150 nan 0.000 0.443 721 L N -0.515 120.486 121.223 -0.369 0.000 2.083 721 L HA -0.219 4.121 4.340 0.000 0.000 0.209 721 L C 2.558 179.321 176.870 -0.179 0.000 1.083 721 L CA 1.632 56.307 54.840 -0.275 0.000 0.752 721 L CB -0.461 41.455 42.059 -0.239 0.000 0.899 721 L HN 0.377 nan 8.230 nan 0.000 0.433 722 K N -0.021 120.291 120.400 -0.147 0.000 2.026 722 K HA -0.241 4.079 4.320 0.000 0.000 0.208 722 K C 2.060 178.628 176.600 -0.052 0.000 1.048 722 K CA 1.555 57.792 56.287 -0.083 0.000 0.929 722 K CB -0.161 32.298 32.500 -0.069 0.000 0.713 722 K HN 0.272 nan 8.250 nan 0.000 0.439 723 E N 1.211 121.379 120.200 -0.053 0.000 2.118 723 E HA -0.204 4.146 4.350 0.000 0.000 0.195 723 E C 2.025 178.657 176.600 0.053 0.000 0.992 723 E CA 0.724 57.140 56.400 0.027 0.000 0.804 723 E CB 0.014 29.774 29.700 0.100 0.000 0.741 723 E HN 0.256 nan 8.360 nan 0.000 0.458 724 L N 0.846 122.075 121.223 0.011 0.000 2.083 724 L HA -0.171 4.169 4.340 0.000 0.000 0.209 724 L C 2.540 179.388 176.870 -0.035 0.000 1.083 724 L CA 1.675 56.484 54.840 -0.052 0.000 0.752 724 L CB -0.354 41.574 42.059 -0.218 0.000 0.899 724 L HN 0.267 nan 8.230 nan 0.000 0.433 725 S N -0.416 115.278 115.700 -0.010 0.000 2.442 725 S HA -0.168 4.302 4.470 0.000 0.000 0.236 725 S C 1.740 176.376 174.600 0.061 0.000 1.007 725 S CA 0.945 59.174 58.200 0.048 0.000 0.965 725 S CB -0.730 62.479 63.200 0.016 0.000 0.773 725 S HN 0.473 nan 8.310 nan 0.000 0.504 726 I N 0.639 121.235 120.570 0.044 0.000 2.454 726 I HA -0.043 4.127 4.170 0.000 0.000 0.254 726 I C 1.469 177.620 176.117 0.057 0.000 1.156 726 I CA 0.489 61.814 61.300 0.042 0.000 1.433 726 I CB -0.257 37.764 38.000 0.035 0.000 1.082 726 I HN 0.078 nan 8.210 nan 0.000 0.432 727 R N 0.961 121.514 120.500 0.089 0.000 2.623 727 R HA 0.078 4.418 4.340 0.000 0.000 0.271 727 R C 1.445 177.803 176.300 0.095 0.000 1.043 727 R CA 0.657 56.827 56.100 0.117 0.000 1.083 727 R CB 0.396 30.840 30.300 0.239 0.000 0.974 727 R HN 0.171 nan 8.270 nan 0.000 0.436 728 G N 1.908 110.729 108.800 0.034 0.000 2.480 728 G HA2 -0.319 3.641 3.960 0.000 0.000 0.216 728 G HA3 -0.319 3.641 3.960 0.000 0.000 0.216 728 G C 0.490 175.346 174.900 -0.074 0.000 1.200 728 G CA 1.038 46.130 45.100 -0.013 0.000 0.782 728 G HN 0.829 nan 8.290 nan 0.000 0.554 729 D N -0.421 119.871 120.400 -0.181 0.000 2.368 729 D HA 0.039 4.679 4.640 0.000 0.000 0.250 729 D C 0.468 176.332 176.300 -0.727 0.000 1.142 729 D CA 0.063 53.806 54.000 -0.428 0.000 0.925 729 D CB -0.575 39.887 40.800 -0.563 0.000 0.896 729 D HN 0.419 nan 8.370 nan 0.000 0.525 730 F N -0.333 119.557 119.950 -0.100 0.000 2.802 730 F HA 0.243 4.770 4.527 0.000 0.000 0.346 730 F C 1.547 177.316 175.800 -0.052 0.000 1.229 730 F CA -0.847 57.097 58.000 -0.094 0.000 1.142 730 F CB 0.547 39.471 39.000 -0.127 0.000 1.146 730 F HN -0.104 nan 8.300 nan 0.000 0.510 731 R N -1.558 118.987 120.500 0.074 0.000 2.276 731 R HA 0.146 4.486 4.340 0.000 0.000 0.203 731 R C 0.302 176.632 176.300 0.049 0.000 1.017 731 R CA 1.494 57.626 56.100 0.054 0.000 1.010 731 R CB -0.397 29.917 30.300 0.023 0.000 0.900 731 R HN 0.150 nan 8.270 nan 0.000 0.469 732 T N -0.701 113.887 114.554 0.057 0.000 3.408 732 T HA -0.030 4.320 4.350 0.000 0.000 0.273 732 T C 1.614 176.377 174.700 0.104 0.000 0.983 732 T CA 0.528 62.665 62.100 0.062 0.000 1.087 732 T CB -0.012 68.880 68.868 0.040 0.000 1.170 732 T HN 0.313 nan 8.240 nan 0.000 0.456 733 T N 2.594 117.214 114.554 0.111 0.000 2.792 733 T HA -0.167 4.183 4.350 0.000 0.000 0.268 733 T C 1.814 176.647 174.700 0.222 0.000 1.059 733 T CA 1.745 63.949 62.100 0.174 0.000 1.136 733 T CB -0.985 67.969 68.868 0.144 0.000 0.846 733 T HN 0.480 nan 8.240 nan 0.000 0.489 734 V N -2.421 117.573 119.914 0.134 0.000 3.578 734 V HA 0.454 4.574 4.120 0.000 0.000 0.290 734 V C 2.106 178.137 176.094 -0.104 0.000 1.376 734 V CA 0.362 62.646 62.300 -0.026 0.000 1.083 734 V CB -0.034 31.767 31.823 -0.037 0.000 0.911 734 V HN 0.137 nan 8.190 nan 0.000 0.433 735 E N 1.889 122.095 120.200 0.010 0.000 2.051 735 E HA -0.198 4.152 4.350 0.000 0.000 0.192 735 E C 1.894 178.482 176.600 -0.019 0.000 0.991 735 E CA 2.311 58.713 56.400 0.004 0.000 0.799 735 E CB -0.644 29.090 29.700 0.057 0.000 0.748 735 E HN 0.977 nan 8.360 nan 0.000 0.449 736 Y N -0.541 119.746 120.300 -0.022 0.000 2.352 736 Y HA -0.027 4.523 4.550 0.000 0.000 0.292 736 Y C 1.754 177.621 175.900 -0.054 0.000 1.136 736 Y CA 0.777 58.858 58.100 -0.031 0.000 1.227 736 Y CB -0.499 37.944 38.460 -0.029 0.000 0.991 736 Y HN -0.032 nan 8.280 nan 0.000 0.545 737 L N 0.312 120.963 121.223 -0.954 0.000 2.017 737 L HA -0.169 4.171 4.340 0.000 0.000 0.208 737 L C 2.535 179.184 176.870 -0.369 0.000 1.073 737 L CA 1.479 55.873 54.840 -0.743 0.000 0.745 737 L CB -0.501 41.171 42.059 -0.645 0.000 0.894 737 L HN 0.300 nan 8.230 nan 0.000 0.432 738 I N 0.034 120.446 120.570 -0.264 0.000 2.163 738 I HA -0.328 3.842 4.170 0.000 0.000 0.243 738 I C 2.045 178.095 176.117 -0.111 0.000 1.085 738 I CA 1.799 63.001 61.300 -0.163 0.000 1.347 738 I CB -0.538 37.392 38.000 -0.118 0.000 1.044 738 I HN 0.351 nan 8.210 nan 0.000 0.408 739 N N 0.909 119.563 118.700 -0.077 0.000 2.120 739 N HA -0.204 4.536 4.740 0.000 0.000 0.188 739 N C 2.001 177.500 175.510 -0.019 0.000 1.024 739 N CA 0.984 54.021 53.050 -0.022 0.000 0.852 739 N CB -0.154 38.349 38.487 0.027 0.000 1.003 739 N HN 0.295 nan 8.380 nan 0.000 0.424 740 L N 1.138 122.336 121.223 -0.042 0.000 2.017 740 L HA -0.131 4.209 4.340 0.000 0.000 0.208 740 L C 1.913 178.695 176.870 -0.147 0.000 1.073 740 L CA 1.243 56.069 54.840 -0.023 0.000 0.745 740 L CB -0.182 41.839 42.059 -0.064 0.000 0.894 740 L HN 0.211 nan 8.230 nan 0.000 0.432 741 L N -0.508 120.560 121.223 -0.258 0.000 2.131 741 L HA -0.199 4.141 4.340 0.000 0.000 0.210 741 L C 2.225 179.145 176.870 0.083 0.000 1.092 741 L CA 1.259 55.946 54.840 -0.255 0.000 0.759 741 L CB -0.415 41.533 42.059 -0.184 0.000 0.903 741 L HN 0.362 nan 8.230 nan 0.000 0.435 742 E N -0.644 119.561 120.200 0.007 0.000 2.442 742 E HA -0.040 4.310 4.350 0.000 0.000 0.195 742 E C 0.762 177.364 176.600 0.004 0.000 1.030 742 E CA 0.161 56.572 56.400 0.018 0.000 0.869 742 E CB 0.217 29.909 29.700 -0.014 0.000 0.857 742 E HN 0.434 nan 8.360 nan 0.000 0.505 743 T N -0.951 113.597 114.554 -0.010 0.000 2.934 743 T HA -0.068 4.282 4.350 0.000 0.000 0.306 743 T C 1.002 175.622 174.700 -0.133 0.000 1.042 743 T CA -0.074 61.975 62.100 -0.084 0.000 1.145 743 T CB 1.510 70.283 68.868 -0.159 0.000 0.982 743 T HN 0.097 nan 8.240 nan 0.000 0.544 744 E N 1.963 122.071 120.200 -0.154 0.000 2.110 744 E HA -0.149 4.201 4.350 0.000 0.000 0.193 744 E C 2.238 178.675 176.600 -0.272 0.000 0.988 744 E CA 1.239 57.539 56.400 -0.167 0.000 0.804 744 E CB -0.389 29.235 29.700 -0.127 0.000 0.745 744 E HN 0.755 nan 8.360 nan 0.000 0.458 745 S N -0.726 114.702 115.700 -0.452 0.000 2.365 745 S HA -0.201 4.269 4.470 0.000 0.000 0.225 745 S C 1.552 175.778 174.600 -0.624 0.000 1.039 745 S CA 1.390 59.166 58.200 -0.707 0.000 1.033 745 S CB -0.455 61.885 63.200 -1.434 0.000 0.887 745 S HN 0.500 nan 8.310 nan 0.000 0.447 746 F N 2.304 121.787 119.950 -0.779 0.000 2.163 746 F HA -0.010 4.517 4.527 0.000 0.000 0.297 746 F C 2.447 178.133 175.800 -0.191 0.000 1.094 746 F CA 1.401 59.197 58.000 -0.340 0.000 1.290 746 F CB -0.658 38.239 39.000 -0.171 0.000 1.017 746 F HN 0.166 nan 8.300 nan 0.000 0.483 747 Q N 0.506 120.156 119.800 -0.251 0.000 2.112 747 Q HA -0.225 4.115 4.340 0.000 0.000 0.206 747 Q C 1.509 177.322 176.000 -0.312 0.000 0.987 747 Q CA 1.734 57.370 55.803 -0.278 0.000 0.858 747 Q CB -0.879 27.766 28.738 -0.155 0.000 0.905 747 Q HN 0.513 nan 8.270 nan 0.000 0.420 748 N N 0.669 119.214 118.700 -0.259 0.000 2.336 748 N HA -0.033 4.707 4.740 0.000 0.000 0.189 748 N C -0.295 175.096 175.510 -0.199 0.000 1.113 748 N CA 0.007 52.934 53.050 -0.205 0.000 0.858 748 N CB -0.154 38.242 38.487 -0.152 0.000 0.970 748 N HN 0.380 nan 8.380 nan 0.000 0.471 749 N N 1.599 120.144 118.700 -0.258 0.000 2.696 749 N HA -0.147 4.593 4.740 0.000 0.000 0.256 749 N C -1.501 173.982 175.510 -0.044 0.000 1.031 749 N CA -0.020 52.927 53.050 -0.172 0.000 0.730 749 N CB -0.489 37.883 38.487 -0.190 0.000 0.894 749 N HN 0.108 nan 8.380 nan 0.000 0.544 750 D N 1.103 121.497 120.400 -0.010 0.000 2.455 750 D HA 0.010 4.650 4.640 0.000 0.000 0.241 750 D C 1.461 177.840 176.300 0.131 0.000 1.138 750 D CA -0.332 53.698 54.000 0.049 0.000 0.877 750 D CB 0.839 41.663 40.800 0.040 0.000 1.187 750 D HN 0.337 nan 8.370 nan 0.000 0.451 751 I N 1.775 122.406 120.570 0.101 0.000 2.361 751 I HA -0.198 3.972 4.170 0.000 0.000 0.251 751 I C 0.460 176.639 176.117 0.103 0.000 1.133 751 I CA 1.031 62.396 61.300 0.108 0.000 1.413 751 I CB -0.298 37.753 38.000 0.086 0.000 1.073 751 I HN 0.404 nan 8.210 nan 0.000 0.424 752 D N -1.063 119.416 120.400 0.132 0.000 2.304 752 D HA 0.109 4.749 4.640 0.000 0.000 0.250 752 D C 0.859 177.273 176.300 0.191 0.000 1.107 752 D CA 0.432 54.501 54.000 0.115 0.000 0.885 752 D CB 0.751 41.644 40.800 0.155 0.000 1.192 752 D HN 0.249 nan 8.370 nan 0.000 0.436 753 T N -0.446 114.009 114.554 -0.164 0.000 3.044 753 T HA 0.259 4.609 4.350 0.000 0.000 0.260 753 T C 1.860 176.185 174.700 -0.625 0.000 1.019 753 T CA 0.025 61.845 62.100 -0.467 0.000 0.921 753 T CB 0.152 68.720 68.868 -0.500 0.000 1.053 753 T HN 0.421 nan 8.240 nan 0.000 0.533 754 G N 2.398 111.059 108.800 -0.233 0.000 2.513 754 G HA2 -0.248 3.712 3.960 0.000 0.000 0.219 754 G HA3 -0.248 3.712 3.960 0.000 0.000 0.219 754 G C 1.474 176.325 174.900 -0.082 0.000 1.160 754 G CA 0.999 46.145 45.100 0.076 0.000 0.767 754 G HN 0.800 nan 8.290 nan 0.000 0.571 755 W N 0.414 121.680 121.300 -0.056 0.000 2.401 755 W HA -0.058 4.602 4.660 0.000 0.000 0.264 755 W C 1.289 177.484 176.519 -0.541 0.000 1.209 755 W CA 0.318 57.363 57.345 -0.501 0.000 1.170 755 W CB -1.077 28.218 29.460 -0.276 0.000 1.134 755 W HN 0.137 nan 8.180 nan 0.000 0.587 756 L N 1.775 122.530 121.223 -0.780 0.000 2.275 756 L HA -0.176 4.164 4.340 0.000 0.000 0.215 756 L C 2.278 178.970 176.870 -0.296 0.000 1.119 756 L CA 1.877 56.365 54.840 -0.587 0.000 0.790 756 L CB -0.944 40.759 42.059 -0.594 0.000 0.919 756 L HN -0.111 nan 8.230 nan 0.000 0.443 757 D N -0.647 119.613 120.400 -0.235 0.000 2.087 757 D HA -0.186 4.454 4.640 0.000 0.000 0.201 757 D C 1.236 177.532 176.300 -0.006 0.000 0.980 757 D CA 1.131 55.082 54.000 -0.083 0.000 0.849 757 D CB -0.663 40.151 40.800 0.024 0.000 1.001 757 D HN 0.508 nan 8.370 nan 0.000 0.452 758 Y N 1.098 121.426 120.300 0.048 0.000 3.096 758 Y HA 0.429 4.979 4.550 0.000 0.000 0.377 758 Y C 0.211 176.164 175.900 0.087 0.000 1.107 758 Y CA -0.760 57.376 58.100 0.059 0.000 2.045 758 Y CB -0.838 37.664 38.460 0.069 0.000 2.203 758 Y HN -0.183 nan 8.280 nan 0.000 0.408 759 L N 0.000 121.249 121.223 0.044 0.000 2.949 759 L HA 0.000 4.340 4.340 0.000 0.000 0.249 759 L CA 0.000 54.872 54.840 0.054 0.000 0.813 759 L CB 0.000 42.078 42.059 0.032 0.000 0.961 759 L HN 0.000 nan 8.230 nan 0.000 0.502