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 3naf_1_A DATA FIRST_RESID 331 DATA SEQUENCE KYGGSYSAVS GRKHIVVCGH ITLESVSNFL KDFLHKDRDD VNVEIVFLHN DATA SEQUENCE ISPNLELEAL FKRHFTQVEF YQGSVLNPHD LARVKIESAD ACLILANKYC DATA SEQUENCE ADPDAEDASN IMRVISIKNY HPKIRIITQM LQYHNKAHLL NIPSWNWKEG DATA SEQUENCE DDAICLAELK LGFIAQSCLA QGLSTMLANL FSMRSFIKIE EDTWQKYYLE DATA SEQUENCE GVSNEMYTEY LSSAFVGLSF PTVCELCFVK LKLLMIAIEY KSANRESRIL DATA SEQUENCE INPGNHLKIQ EGTLGFFIAS DAKEVKRAFF YCKACHX??? ?????????? DATA SEQUENCE ???XXXXXXX XXXXXXXXXX XXXXXXXXSP KLMRHDXXXX XXXXXXXXXX DATA SEQUENCE XXXKKYDSTG MFHWCAPKEI EKVILTRSEA AMTVLSGHVV VcIFGDVSSA DATA SEQUENCE LIGLRNLVMP LRASNFHYHE LKHIVFVGSI EYLKREWETL HNFPKVSILP DATA SEQUENCE GTPLSRADLR AVNINLCDMc VILSANQNNI DDTSLQDKEC ILASLNIKSM DATA SEQUENCE QFDXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XTGVNIPIIT DATA SEQUENCE ELVNDTNVQF LDQDDDDDPD TELYLTQPFA CGTAFAVSVL DSLMSATYFN DATA SEQUENCE DNILTLIRTL VTGGATPELE ALIAEENALR GGYSTPQTLA NRDRCRVAQL DATA SEQUENCE ALLDGPFADL GDGGCYGDLF CKALKTYNML CFGIYRLRDA HLSTPSQCTK DATA SEQUENCE RYVITNPPYE FELVPTDLIF CLMQFDHNA 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 331 K HA 0.000 nan 4.320 nan 0.000 0.191 331 K C 0.000 176.431 176.600 -0.282 0.000 0.988 331 K CA 0.000 56.183 56.287 -0.174 0.000 0.838 331 K CB 0.000 32.449 32.500 -0.084 0.000 1.064 332 Y N 0.506 120.857 120.300 0.085 0.000 2.555 332 Y HA 0.562 5.111 4.550 -0.000 0.000 0.326 332 Y C 0.445 176.378 175.900 0.055 0.000 0.984 332 Y CA -0.347 57.832 58.100 0.130 0.000 1.298 332 Y CB 1.948 40.581 38.460 0.287 0.000 1.094 332 Y HN 0.781 nan 8.280 nan 0.000 0.500 333 G N 0.035 108.896 108.800 0.103 0.000 2.682 333 G HA2 0.586 4.545 3.960 -0.000 0.000 0.303 333 G HA3 0.586 4.545 3.960 -0.000 0.000 0.303 333 G C -0.418 174.369 174.900 -0.189 0.000 1.341 333 G CA -0.571 44.507 45.100 -0.036 0.000 0.784 333 G HN 0.867 nan 8.290 nan 0.000 0.497 334 G N -0.921 107.770 108.800 -0.182 0.000 2.981 334 G HA2 0.271 4.231 3.960 -0.000 0.000 0.686 334 G HA3 0.271 4.231 3.960 -0.000 0.000 0.686 334 G C 0.452 175.152 174.900 -0.332 0.000 1.068 334 G CA 0.524 45.528 45.100 -0.161 0.000 0.806 334 G HN 2.100 nan 8.290 nan 0.000 0.568 335 S N 1.721 117.281 115.700 -0.233 0.000 3.911 335 S HA 0.103 4.572 4.470 -0.000 0.000 0.188 335 S C 0.979 175.484 174.600 -0.159 0.000 1.147 335 S CA 0.415 58.466 58.200 -0.248 0.000 0.961 335 S CB -0.038 63.058 63.200 -0.173 0.000 1.582 335 S HN 0.779 nan 8.310 nan 0.000 0.458 336 Y N 2.243 122.316 120.300 -0.377 0.000 2.490 336 Y HA 0.256 4.806 4.550 -0.000 0.000 0.285 336 Y C 1.627 177.560 175.900 0.054 0.000 1.117 336 Y CA 0.123 58.157 58.100 -0.111 0.000 1.262 336 Y CB 0.033 38.472 38.460 -0.035 0.000 1.043 336 Y HN 0.554 nan 8.280 nan 0.000 0.553 337 S N 0.983 116.834 115.700 0.252 0.000 2.498 337 S HA 0.521 4.991 4.470 -0.000 0.000 0.281 337 S C -0.234 174.338 174.600 -0.047 0.000 1.265 337 S CA -0.227 58.060 58.200 0.145 0.000 1.071 337 S CB -0.191 63.128 63.200 0.198 0.000 0.894 337 S HN 0.343 nan 8.310 nan 0.000 0.491 338 A N 4.325 127.085 122.820 -0.101 0.000 2.365 338 A HA 0.667 4.987 4.320 -0.000 0.000 0.318 338 A C 0.087 177.589 177.584 -0.138 0.000 1.091 338 A CA -0.849 51.114 52.037 -0.125 0.000 0.763 338 A CB 1.016 19.938 19.000 -0.131 0.000 1.248 338 A HN 1.255 nan 8.150 nan 0.000 0.442 339 V N 1.095 120.937 119.914 -0.120 0.000 2.814 339 V HA 0.535 4.654 4.120 -0.000 0.000 0.307 339 V C 0.272 176.324 176.094 -0.070 0.000 1.089 339 V CA 0.687 62.927 62.300 -0.100 0.000 1.212 339 V CB -0.121 31.665 31.823 -0.062 0.000 0.912 339 V HN 1.018 nan 8.190 nan 0.000 0.497 340 S N 2.369 118.037 115.700 -0.053 0.000 2.873 340 S HA 0.664 5.134 4.470 -0.000 0.000 0.303 340 S C 0.888 175.484 174.600 -0.007 0.000 1.222 340 S CA -0.170 58.014 58.200 -0.027 0.000 0.923 340 S CB 0.979 64.164 63.200 -0.025 0.000 1.286 340 S HN 1.140 nan 8.310 nan 0.000 0.571 341 G N 0.073 108.876 108.800 0.004 0.000 2.813 341 G HA2 0.151 4.111 3.960 -0.000 0.000 0.209 341 G HA3 0.151 4.111 3.960 -0.000 0.000 0.209 341 G C 0.227 175.144 174.900 0.028 0.000 1.150 341 G CA 0.166 45.275 45.100 0.015 0.000 0.785 341 G HN 0.354 nan 8.290 nan 0.000 0.535 342 R N 0.015 120.532 120.500 0.028 0.000 2.643 342 R HA 0.547 4.887 4.340 -0.000 0.000 0.272 342 R C -0.265 176.075 176.300 0.067 0.000 0.995 342 R CA -0.583 55.547 56.100 0.049 0.000 1.032 342 R CB 1.312 31.642 30.300 0.050 0.000 1.126 342 R HN 0.027 nan 8.270 nan 0.000 0.505 343 K N 1.051 121.514 120.400 0.105 0.000 2.095 343 K HA 0.297 4.617 4.320 -0.000 0.000 0.252 343 K C -0.655 176.075 176.600 0.217 0.000 0.977 343 K CA -0.723 55.658 56.287 0.156 0.000 0.900 343 K CB 1.498 34.086 32.500 0.147 0.000 1.060 343 K HN 0.736 nan 8.250 nan 0.000 0.449 344 H N -0.952 118.133 119.070 0.025 0.000 2.996 344 H HA 0.578 5.134 4.556 -0.000 0.000 0.368 344 H C -1.074 174.220 175.328 -0.056 0.000 1.185 344 H CA -1.227 54.810 56.048 -0.018 0.000 1.160 344 H CB 1.190 30.932 29.762 -0.034 0.000 1.820 344 H HN 0.564 nan 8.280 nan 0.000 0.547 345 I N 1.120 121.503 120.570 -0.312 0.000 2.509 345 I HA 0.650 4.819 4.170 -0.000 0.000 0.293 345 I C -0.975 174.864 176.117 -0.464 0.000 1.020 345 I CA -1.407 59.626 61.300 -0.444 0.000 1.088 345 I CB 2.037 39.749 38.000 -0.479 0.000 1.267 345 I HN 0.392 nan 8.210 nan 0.000 0.430 346 V N 5.530 125.188 119.914 -0.427 0.000 2.834 346 V HA 0.334 4.453 4.120 -0.000 0.000 0.301 346 V C 0.226 176.095 176.094 -0.374 0.000 1.066 346 V CA -0.556 61.535 62.300 -0.348 0.000 1.052 346 V CB 1.612 33.295 31.823 -0.234 0.000 1.021 346 V HN 0.599 nan 8.190 nan 0.000 0.480 347 V N 2.868 122.548 119.914 -0.389 0.000 2.385 347 V HA 0.293 4.412 4.120 -0.000 0.000 0.277 347 V C -0.019 175.997 176.094 -0.130 0.000 1.012 347 V CA -0.348 61.740 62.300 -0.353 0.000 0.832 347 V CB 1.000 32.475 31.823 -0.579 0.000 1.028 347 V HN 1.094 nan 8.190 nan 0.000 0.436 348 C N 2.629 121.855 119.300 -0.125 0.000 2.576 348 C HA 0.984 5.444 4.460 -0.000 0.000 0.394 348 C C 1.657 176.586 174.990 -0.101 0.000 1.876 348 C CA 0.558 59.530 59.018 -0.076 0.000 1.858 348 C CB 0.685 28.389 27.740 -0.059 0.000 1.943 348 C HN 1.252 nan 8.230 nan 0.000 0.479 349 G N -0.195 108.541 108.800 -0.106 0.000 2.596 349 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.258 349 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.258 349 G C -0.213 174.573 174.900 -0.190 0.000 1.207 349 G CA 0.334 45.372 45.100 -0.103 0.000 0.954 349 G HN 1.025 nan 8.290 nan 0.000 0.551 350 H N 1.503 120.431 119.070 -0.238 0.000 2.741 350 H HA 0.482 5.038 4.556 -0.000 0.000 0.282 350 H C -0.283 174.902 175.328 -0.238 0.000 1.122 350 H CA -0.602 55.300 56.048 -0.244 0.000 1.293 350 H CB -0.018 29.643 29.762 -0.168 0.000 1.415 350 H HN 0.282 nan 8.280 nan 0.000 0.472 351 I N 5.892 126.126 120.570 -0.560 0.000 2.307 351 I HA 0.166 4.335 4.170 -0.000 0.000 0.287 351 I C 0.244 176.192 176.117 -0.282 0.000 1.054 351 I CA -0.160 60.952 61.300 -0.312 0.000 1.218 351 I CB 0.520 38.425 38.000 -0.158 0.000 1.398 351 I HN 0.474 nan 8.210 nan 0.000 0.475 352 T N 4.732 119.122 114.554 -0.273 0.000 2.841 352 T HA 0.348 4.698 4.350 -0.000 0.000 0.296 352 T C 1.324 175.902 174.700 -0.203 0.000 1.166 352 T CA -0.687 61.273 62.100 -0.233 0.000 1.007 352 T CB 2.195 70.935 68.868 -0.214 0.000 1.253 352 T HN 0.443 nan 8.240 nan 0.000 0.511 353 L N 0.524 121.631 121.223 -0.194 0.000 2.051 353 L HA -0.095 4.244 4.340 -0.000 0.000 0.214 353 L C 2.167 178.967 176.870 -0.116 0.000 1.076 353 L CA 1.956 56.675 54.840 -0.202 0.000 0.758 353 L CB -0.937 41.026 42.059 -0.160 0.000 0.890 353 L HN 0.772 nan 8.230 nan 0.000 0.433 354 E N -0.045 120.133 120.200 -0.038 0.000 2.340 354 E HA -0.017 4.333 4.350 -0.000 0.000 0.194 354 E C 1.882 178.516 176.600 0.058 0.000 0.996 354 E CA 0.990 57.406 56.400 0.026 0.000 0.869 354 E CB -0.491 29.257 29.700 0.081 0.000 0.835 354 E HN 0.605 nan 8.360 nan 0.000 0.493 355 S N 0.467 116.191 115.700 0.038 0.000 2.515 355 S HA 0.040 4.510 4.470 -0.000 0.000 0.231 355 S C 1.790 176.433 174.600 0.072 0.000 0.987 355 S CA 0.636 58.874 58.200 0.063 0.000 0.936 355 S CB 0.307 63.542 63.200 0.058 0.000 0.766 355 S HN 0.130 nan 8.310 nan 0.000 0.528 356 V N 0.997 120.932 119.914 0.036 0.000 3.013 356 V HA -0.022 4.098 4.120 -0.000 0.000 0.238 356 V C 2.375 178.567 176.094 0.164 0.000 1.161 356 V CA 1.149 63.513 62.300 0.106 0.000 1.170 356 V CB -0.323 31.411 31.823 -0.149 0.000 0.917 356 V HN 0.568 nan 8.190 nan 0.000 0.478 357 S N 1.580 117.310 115.700 0.049 0.000 2.365 357 S HA -0.288 4.182 4.470 -0.000 0.000 0.221 357 S C 1.779 176.454 174.600 0.126 0.000 1.037 357 S CA 1.973 60.208 58.200 0.058 0.000 1.060 357 S CB -0.863 62.338 63.200 0.003 0.000 0.974 357 S HN 0.546 nan 8.310 nan 0.000 0.427 358 N N 1.208 119.984 118.700 0.127 0.000 2.192 358 N HA -0.084 4.656 4.740 -0.000 0.000 0.188 358 N C 1.307 176.946 175.510 0.216 0.000 1.013 358 N CA 1.457 54.592 53.050 0.142 0.000 0.863 358 N CB -0.694 37.869 38.487 0.127 0.000 0.990 358 N HN 0.565 nan 8.380 nan 0.000 0.430 359 F N 1.557 121.580 119.950 0.123 0.000 2.074 359 F HA 0.051 4.578 4.527 -0.000 0.000 0.290 359 F C 2.155 178.092 175.800 0.228 0.000 1.118 359 F CA 0.878 58.975 58.000 0.161 0.000 1.199 359 F CB -0.629 38.453 39.000 0.137 0.000 1.012 359 F HN -0.122 nan 8.300 nan 0.000 0.472 360 L N 0.537 121.812 121.223 0.087 0.000 2.013 360 L HA -0.282 4.058 4.340 -0.000 0.000 0.212 360 L C 2.376 179.294 176.870 0.079 0.000 1.073 360 L CA 1.908 56.786 54.840 0.063 0.000 0.753 360 L CB -1.039 41.224 42.059 0.339 0.000 0.890 360 L HN 0.172 nan 8.230 nan 0.000 0.432 361 K N -0.579 119.895 120.400 0.124 0.000 2.362 361 K HA -0.219 4.101 4.320 -0.000 0.000 0.202 361 K C 1.609 178.265 176.600 0.094 0.000 1.045 361 K CA 1.254 57.605 56.287 0.106 0.000 0.936 361 K CB -0.099 32.462 32.500 0.103 0.000 0.747 361 K HN 0.427 nan 8.250 nan 0.000 0.467 362 D N -0.592 119.839 120.400 0.051 0.000 2.463 362 D HA -0.024 4.616 4.640 -0.000 0.000 0.237 362 D C 1.444 177.740 176.300 -0.006 0.000 1.013 362 D CA 0.101 54.121 54.000 0.033 0.000 0.910 362 D CB 0.202 41.034 40.800 0.054 0.000 1.080 362 D HN 0.058 nan 8.370 nan 0.000 0.498 363 F N 1.503 121.297 119.950 -0.259 0.000 2.259 363 F HA -0.013 4.514 4.527 -0.000 0.000 0.298 363 F C 1.135 176.890 175.800 -0.075 0.000 1.088 363 F CA 0.868 58.729 58.000 -0.233 0.000 1.358 363 F CB 0.232 38.800 39.000 -0.721 0.000 1.040 363 F HN -0.056 nan 8.300 nan 0.000 0.505 364 L N -0.988 120.255 121.223 0.033 0.000 3.100 364 L HA 0.324 4.663 4.340 -0.000 0.000 0.259 364 L C 0.062 176.896 176.870 -0.059 0.000 1.316 364 L CA -0.315 54.514 54.840 -0.017 0.000 0.992 364 L CB -1.300 40.780 42.059 0.034 0.000 1.390 364 L HN -0.020 nan 8.230 nan 0.000 0.550 365 H N 2.264 121.245 119.070 -0.148 0.000 2.897 365 H HA 0.058 4.614 4.556 -0.000 0.000 0.347 365 H C 0.804 176.043 175.328 -0.149 0.000 1.068 365 H CA 0.952 56.913 56.048 -0.145 0.000 1.426 365 H CB 1.399 31.058 29.762 -0.171 0.000 1.410 365 H HN 0.626 nan 8.280 nan 0.000 0.597 366 K N 2.756 122.709 120.400 -0.745 0.000 2.009 366 K HA -0.176 4.144 4.320 -0.000 0.000 0.210 366 K C 0.943 177.395 176.600 -0.246 0.000 1.049 366 K CA 1.676 57.699 56.287 -0.441 0.000 0.929 366 K CB -0.046 32.196 32.500 -0.429 0.000 0.714 366 K HN 0.359 nan 8.250 nan 0.000 0.440 367 D N 1.455 121.744 120.400 -0.186 0.000 2.504 367 D HA 0.010 4.650 4.640 -0.000 0.000 0.243 367 D C -0.703 175.598 176.300 0.002 0.000 1.203 367 D CA -0.146 53.842 54.000 -0.020 0.000 0.847 367 D CB -0.149 40.632 40.800 -0.032 0.000 0.973 367 D HN 0.168 nan 8.370 nan 0.000 0.490 368 R N 0.831 121.339 120.500 0.014 0.000 2.346 368 R HA 0.143 4.483 4.340 -0.000 0.000 0.311 368 R C -0.144 176.098 176.300 -0.097 0.000 0.983 368 R CA -0.791 55.260 56.100 -0.082 0.000 0.880 368 R CB 0.703 30.930 30.300 -0.121 0.000 1.100 368 R HN 0.112 nan 8.270 nan 0.000 0.453 369 D N 3.508 123.846 120.400 -0.102 0.000 2.548 369 D HA -0.120 4.520 4.640 -0.000 0.000 0.231 369 D C -0.772 175.498 176.300 -0.050 0.000 1.142 369 D CA -0.034 53.928 54.000 -0.063 0.000 0.866 369 D CB 0.607 41.379 40.800 -0.046 0.000 1.190 369 D HN 0.538 nan 8.370 nan 0.000 0.469 370 D N 0.593 120.979 120.400 -0.024 0.000 2.426 370 D HA 0.174 4.814 4.640 -0.000 0.000 0.261 370 D C -0.248 176.064 176.300 0.020 0.000 1.245 370 D CA -0.327 53.670 54.000 -0.005 0.000 0.917 370 D CB 0.828 41.628 40.800 0.001 0.000 1.123 370 D HN 0.226 nan 8.370 nan 0.000 0.508 371 V N 2.357 122.293 119.914 0.037 0.000 2.789 371 V HA 0.373 4.493 4.120 -0.000 0.000 0.311 371 V C -1.030 175.120 176.094 0.093 0.000 1.073 371 V CA -1.038 61.316 62.300 0.089 0.000 0.921 371 V CB 2.215 34.142 31.823 0.174 0.000 1.009 371 V HN 0.655 nan 8.190 nan 0.000 0.426 372 N N 4.552 123.314 118.700 0.104 0.000 3.228 372 N HA 0.356 5.096 4.740 -0.000 0.000 0.289 372 N C -1.213 174.374 175.510 0.128 0.000 1.419 372 N CA 0.116 53.226 53.050 0.099 0.000 1.088 372 N CB 0.854 39.387 38.487 0.077 0.000 1.357 372 N HN 0.476 nan 8.380 nan 0.000 0.504 373 V N 1.190 121.202 119.914 0.162 0.000 2.604 373 V HA 0.414 4.533 4.120 -0.000 0.000 0.305 373 V C -0.117 176.094 176.094 0.195 0.000 1.043 373 V CA -0.861 61.558 62.300 0.198 0.000 0.888 373 V CB 2.387 34.377 31.823 0.279 0.000 0.995 373 V HN 0.253 nan 8.190 nan 0.000 0.429 374 E N 3.810 124.099 120.200 0.149 0.000 2.183 374 E HA 0.558 4.908 4.350 -0.000 0.000 0.271 374 E C -1.116 175.492 176.600 0.013 0.000 0.919 374 E CA -0.662 55.799 56.400 0.102 0.000 0.781 374 E CB 2.587 32.336 29.700 0.082 0.000 1.140 374 E HN 0.560 nan 8.360 nan 0.000 0.402 375 I N 2.862 123.401 120.570 -0.052 0.000 2.291 375 I HA 0.128 4.298 4.170 -0.000 0.000 0.292 375 I C -0.491 175.395 176.117 -0.385 0.000 1.064 375 I CA -0.694 60.432 61.300 -0.289 0.000 1.269 375 I CB 0.587 38.401 38.000 -0.310 0.000 1.418 375 I HN 0.151 nan 8.210 nan 0.000 0.485 376 V N 7.307 126.982 119.914 -0.399 0.000 2.304 376 V HA 0.302 4.422 4.120 -0.000 0.000 0.269 376 V C 0.127 175.954 176.094 -0.445 0.000 1.036 376 V CA -0.444 61.645 62.300 -0.351 0.000 0.840 376 V CB -0.023 31.721 31.823 -0.131 0.000 1.036 376 V HN 0.382 nan 8.190 nan 0.000 0.466 377 F N 4.699 124.483 119.950 -0.277 0.000 2.403 377 F HA 0.611 5.138 4.527 -0.000 0.000 0.320 377 F C 0.101 175.708 175.800 -0.322 0.000 1.176 377 F CA -0.530 57.340 58.000 -0.217 0.000 1.206 377 F CB 0.955 39.909 39.000 -0.077 0.000 1.235 377 F HN 0.328 nan 8.300 nan 0.000 0.565 378 L N 2.521 123.729 121.223 -0.024 0.000 2.680 378 L HA 0.376 4.716 4.340 -0.000 0.000 0.260 378 L C -1.791 175.093 176.870 0.024 0.000 0.975 378 L CA -0.136 54.614 54.840 -0.150 0.000 0.920 378 L CB 0.546 42.549 42.059 -0.094 0.000 1.234 378 L HN 0.638 nan 8.230 nan 0.000 0.429 379 H N 2.192 121.186 119.070 -0.126 0.000 2.821 379 H HA 0.467 5.023 4.556 -0.000 0.000 0.373 379 H C 0.438 175.820 175.328 0.091 0.000 1.165 379 H CA -0.454 55.647 56.048 0.088 0.000 1.154 379 H CB 1.835 31.765 29.762 0.280 0.000 1.765 379 H HN 0.595 nan 8.280 nan 0.000 0.549 380 N N 2.457 121.089 118.700 -0.114 0.000 2.039 380 N HA -0.062 4.677 4.740 -0.000 0.000 0.193 380 N C 0.097 175.476 175.510 -0.218 0.000 1.044 380 N CA 1.310 54.255 53.050 -0.174 0.000 0.847 380 N CB -0.066 38.341 38.487 -0.134 0.000 1.030 380 N HN 0.563 nan 8.380 nan 0.000 0.422 381 I N 0.662 120.944 120.570 -0.481 0.000 2.428 381 I HA 0.067 4.237 4.170 -0.000 0.000 0.289 381 I C 0.631 176.696 176.117 -0.087 0.000 1.019 381 I CA -0.521 60.641 61.300 -0.231 0.000 1.351 381 I CB 1.320 39.182 38.000 -0.229 0.000 1.412 381 I HN 0.060 nan 8.210 nan 0.000 0.513 382 S N 7.277 122.985 115.700 0.014 0.000 2.563 382 S HA 0.126 4.596 4.470 -0.000 0.000 0.284 382 S C -2.070 172.459 174.600 -0.118 0.000 1.331 382 S CA -1.007 57.216 58.200 0.038 0.000 1.047 382 S CB 0.289 63.559 63.200 0.116 0.000 0.859 382 S HN 0.390 nan 8.310 nan 0.000 0.514 383 P HA 0.136 nan 4.420 nan 0.000 0.271 383 P C -0.626 176.584 177.300 -0.151 0.000 1.226 383 P CA -0.416 62.502 63.100 -0.303 0.000 0.765 383 P CB -0.162 31.275 31.700 -0.438 0.000 0.835 384 N N 2.435 121.052 118.700 -0.139 0.000 2.307 384 N HA -0.037 4.702 4.740 -0.000 0.000 0.230 384 N C 1.280 176.733 175.510 -0.096 0.000 1.297 384 N CA -0.507 52.486 53.050 -0.096 0.000 0.884 384 N CB 0.162 38.595 38.487 -0.090 0.000 1.115 384 N HN 0.244 nan 8.380 nan 0.000 0.436 385 L N -0.671 120.514 121.223 -0.064 0.000 2.081 385 L HA -0.234 4.105 4.340 -0.000 0.000 0.212 385 L C 2.248 179.068 176.870 -0.082 0.000 1.080 385 L CA 1.411 56.219 54.840 -0.054 0.000 0.754 385 L CB -0.551 41.486 42.059 -0.036 0.000 0.893 385 L HN 0.654 nan 8.230 nan 0.000 0.433 386 E N -0.046 120.093 120.200 -0.101 0.000 2.017 386 E HA -0.249 4.101 4.350 -0.000 0.000 0.193 386 E C 2.161 178.644 176.600 -0.196 0.000 0.997 386 E CA 1.167 57.493 56.400 -0.124 0.000 0.804 386 E CB -0.617 29.014 29.700 -0.114 0.000 0.757 386 E HN 0.288 nan 8.360 nan 0.000 0.448 387 L N 1.999 123.059 121.223 -0.271 0.000 2.083 387 L HA -0.151 4.189 4.340 -0.000 0.000 0.209 387 L C 1.963 178.505 176.870 -0.546 0.000 1.083 387 L CA 1.699 56.248 54.840 -0.485 0.000 0.752 387 L CB -0.496 41.217 42.059 -0.576 0.000 0.899 387 L HN 0.084 nan 8.230 nan 0.000 0.433 388 E N -0.466 119.567 120.200 -0.280 0.000 2.171 388 E HA -0.279 4.070 4.350 -0.000 0.000 0.197 388 E C 2.141 178.696 176.600 -0.074 0.000 0.997 388 E CA 1.127 57.475 56.400 -0.085 0.000 0.810 388 E CB -0.293 29.418 29.700 0.018 0.000 0.738 388 E HN 0.685 nan 8.360 nan 0.000 0.467 389 A N 1.544 124.288 122.820 -0.127 0.000 1.877 389 A HA -0.178 4.142 4.320 -0.000 0.000 0.216 389 A C 2.179 179.683 177.584 -0.134 0.000 1.186 389 A CA 1.045 53.027 52.037 -0.091 0.000 0.620 389 A CB -0.717 18.229 19.000 -0.090 0.000 0.822 389 A HN 0.272 nan 8.150 nan 0.000 0.443 390 L N -1.505 119.548 121.223 -0.282 0.000 1.971 390 L HA -0.211 4.129 4.340 -0.000 0.000 0.215 390 L C 2.491 179.160 176.870 -0.335 0.000 1.072 390 L CA 2.098 56.698 54.840 -0.401 0.000 0.758 390 L CB -0.436 41.289 42.059 -0.557 0.000 0.889 390 L HN 0.377 nan 8.230 nan 0.000 0.433 391 F N 0.627 120.435 119.950 -0.238 0.000 2.063 391 F HA -0.329 4.198 4.527 -0.000 0.000 0.298 391 F C 2.684 178.465 175.800 -0.031 0.000 1.109 391 F CA 1.976 59.885 58.000 -0.152 0.000 1.212 391 F CB -1.114 37.789 39.000 -0.162 0.000 0.973 391 F HN 0.115 nan 8.300 nan 0.000 0.480 392 K N 0.078 120.602 120.400 0.207 0.000 2.160 392 K HA -0.224 4.096 4.320 -0.000 0.000 0.206 392 K C 2.353 179.086 176.600 0.222 0.000 1.047 392 K CA 1.415 57.831 56.287 0.215 0.000 0.930 392 K CB -0.133 32.462 32.500 0.159 0.000 0.720 392 K HN 0.113 nan 8.250 nan 0.000 0.450 393 R N -0.463 120.123 120.500 0.144 0.000 2.148 393 R HA -0.066 4.274 4.340 -0.000 0.000 0.223 393 R C 0.440 176.984 176.300 0.406 0.000 1.088 393 R CA 1.191 57.412 56.100 0.202 0.000 0.985 393 R CB 0.066 30.440 30.300 0.122 0.000 0.880 393 R HN 0.433 nan 8.270 nan 0.000 0.451 394 H N -1.035 118.141 119.070 0.178 0.000 2.490 394 H HA 0.023 4.579 4.556 -0.000 0.000 0.285 394 H C 0.319 175.782 175.328 0.225 0.000 1.127 394 H CA -0.665 55.494 56.048 0.184 0.000 0.993 394 H CB 0.303 30.176 29.762 0.185 0.000 1.653 394 H HN 0.138 nan 8.280 nan 0.000 0.557 395 F N 2.605 122.684 119.950 0.215 0.000 2.032 395 F HA -0.344 4.183 4.527 -0.000 0.000 0.297 395 F C 2.649 178.533 175.800 0.139 0.000 1.125 395 F CA 2.392 60.488 58.000 0.160 0.000 1.202 395 F CB -0.541 38.531 39.000 0.120 0.000 0.958 395 F HN 0.212 nan 8.300 nan 0.000 0.491 396 T N -1.951 112.934 114.554 0.552 0.000 2.946 396 T HA -0.197 4.153 4.350 -0.000 0.000 0.271 396 T C 1.582 176.410 174.700 0.213 0.000 1.104 396 T CA 1.441 63.773 62.100 0.386 0.000 1.114 396 T CB -0.262 68.751 68.868 0.241 0.000 0.867 396 T HN 0.394 nan 8.240 nan 0.000 0.513 397 Q N 0.742 120.657 119.800 0.191 0.000 2.387 397 Q HA 0.298 4.637 4.340 -0.000 0.000 0.208 397 Q C 1.315 177.389 176.000 0.124 0.000 0.935 397 Q CA 0.603 56.499 55.803 0.156 0.000 0.891 397 Q CB 0.091 28.929 28.738 0.167 0.000 1.007 397 Q HN 0.672 nan 8.270 nan 0.000 0.548 398 V N -1.023 118.973 119.914 0.136 0.000 2.769 398 V HA 0.676 4.796 4.120 -0.000 0.000 0.312 398 V C -0.743 175.295 176.094 -0.093 0.000 1.058 398 V CA -0.817 61.542 62.300 0.098 0.000 0.952 398 V CB 2.245 34.282 31.823 0.358 0.000 1.019 398 V HN 0.098 nan 8.190 nan 0.000 0.445 399 E N 2.360 122.453 120.200 -0.179 0.000 2.290 399 E HA 0.444 4.793 4.350 -0.000 0.000 0.274 399 E C -1.977 174.339 176.600 -0.473 0.000 0.889 399 E CA -0.370 55.809 56.400 -0.368 0.000 0.760 399 E CB 2.955 32.395 29.700 -0.433 0.000 1.206 399 E HN 0.749 nan 8.360 nan 0.000 0.419 400 F N 3.282 122.824 119.950 -0.680 0.000 2.411 400 F HA 0.434 4.960 4.527 -0.000 0.000 0.352 400 F C -1.377 174.154 175.800 -0.450 0.000 1.123 400 F CA -0.387 57.192 58.000 -0.703 0.000 1.044 400 F CB 0.643 38.974 39.000 -1.114 0.000 1.135 400 F HN 0.403 nan 8.300 nan 0.000 0.461 401 Y N 5.013 124.757 120.300 -0.927 0.000 2.341 401 Y HA 0.239 4.789 4.550 -0.000 0.000 0.338 401 Y C -0.095 175.230 175.900 -0.957 0.000 0.965 401 Y CA -1.190 56.524 58.100 -0.644 0.000 1.108 401 Y CB 1.609 39.882 38.460 -0.312 0.000 1.180 401 Y HN 0.496 nan 8.280 nan 0.000 0.458 402 Q N 3.483 123.076 119.800 -0.345 0.000 2.369 402 Q HA 0.481 4.821 4.340 -0.000 0.000 0.247 402 Q C -0.380 175.578 176.000 -0.069 0.000 1.083 402 Q CA -0.115 55.586 55.803 -0.170 0.000 0.905 402 Q CB 0.265 29.124 28.738 0.202 0.000 1.305 402 Q HN 0.991 nan 8.270 nan 0.000 0.465 403 G N 1.562 110.307 108.800 -0.090 0.000 2.793 403 G HA2 0.515 4.475 3.960 -0.000 0.000 0.248 403 G HA3 0.515 4.475 3.960 -0.000 0.000 0.248 403 G C -1.343 173.550 174.900 -0.011 0.000 1.198 403 G CA -0.024 45.055 45.100 -0.035 0.000 0.865 403 G HN 0.638 nan 8.290 nan 0.000 0.534 404 S N -1.921 113.774 115.700 -0.007 0.000 2.651 404 S HA 0.576 5.046 4.470 -0.000 0.000 0.279 404 S C 0.084 174.678 174.600 -0.011 0.000 1.148 404 S CA -0.018 58.189 58.200 0.012 0.000 0.837 404 S CB 1.575 64.786 63.200 0.019 0.000 1.138 404 S HN 0.952 nan 8.310 nan 0.000 0.478 405 V N 0.975 120.889 119.914 -0.000 0.000 3.590 405 V HA 0.203 4.323 4.120 -0.000 0.000 0.265 405 V C 1.345 177.428 176.094 -0.018 0.000 1.239 405 V CA 0.465 62.753 62.300 -0.020 0.000 1.117 405 V CB -0.847 30.971 31.823 -0.008 0.000 0.818 405 V HN 0.787 nan 8.190 nan 0.000 0.451 406 L N -0.147 121.074 121.223 -0.004 0.000 2.585 406 L HA 0.287 4.626 4.340 -0.000 0.000 0.226 406 L C 0.767 177.638 176.870 0.002 0.000 1.113 406 L CA 0.220 55.062 54.840 0.004 0.000 0.876 406 L CB -0.072 41.994 42.059 0.012 0.000 1.072 406 L HN 0.271 nan 8.230 nan 0.000 0.468 407 N N 0.852 119.546 118.700 -0.009 0.000 2.469 407 N HA 0.208 4.948 4.740 -0.000 0.000 0.253 407 N C -1.992 173.498 175.510 -0.033 0.000 0.970 407 N CA -1.960 51.090 53.050 0.000 0.000 0.940 407 N CB 2.040 40.538 38.487 0.019 0.000 1.128 407 N HN -0.238 nan 8.380 nan 0.000 0.503 408 P HA -0.199 nan 4.420 nan 0.000 0.216 408 P C 1.300 178.522 177.300 -0.130 0.000 1.157 408 P CA 1.276 64.316 63.100 -0.100 0.000 0.880 408 P CB -0.028 31.707 31.700 0.058 0.000 0.791 409 H N 0.017 119.034 119.070 -0.088 0.000 2.394 409 H HA -0.166 4.390 4.556 -0.000 0.000 0.297 409 H C 1.269 176.532 175.328 -0.108 0.000 1.113 409 H CA 1.822 57.827 56.048 -0.072 0.000 1.277 409 H CB -0.206 29.532 29.762 -0.040 0.000 1.370 409 H HN 0.155 nan 8.280 nan 0.000 0.506 410 D N 0.319 120.631 120.400 -0.146 0.000 2.162 410 D HA -0.074 4.565 4.640 -0.000 0.000 0.203 410 D C 2.558 178.718 176.300 -0.233 0.000 0.967 410 D CA 0.472 54.358 54.000 -0.191 0.000 0.840 410 D CB 0.240 40.993 40.800 -0.080 0.000 0.972 410 D HN 0.403 nan 8.370 nan 0.000 0.482 411 L N 1.269 122.312 121.223 -0.301 0.000 1.989 411 L HA -0.173 4.166 4.340 -0.000 0.000 0.211 411 L C 2.786 179.413 176.870 -0.405 0.000 1.071 411 L CA 1.223 55.823 54.840 -0.400 0.000 0.749 411 L CB -0.647 41.008 42.059 -0.673 0.000 0.890 411 L HN -0.033 nan 8.230 nan 0.000 0.431 412 A N 0.996 123.516 122.820 -0.499 0.000 1.940 412 A HA -0.230 4.090 4.320 -0.000 0.000 0.219 412 A C 2.371 179.877 177.584 -0.130 0.000 1.176 412 A CA 1.962 53.895 52.037 -0.172 0.000 0.631 412 A CB -0.640 18.343 19.000 -0.028 0.000 0.814 412 A HN 0.577 nan 8.150 nan 0.000 0.446 413 R N -0.654 119.704 120.500 -0.237 0.000 2.236 413 R HA 0.079 4.419 4.340 -0.000 0.000 0.208 413 R C 0.589 176.806 176.300 -0.138 0.000 1.036 413 R CA 1.359 57.320 56.100 -0.232 0.000 1.001 413 R CB -0.337 29.740 30.300 -0.371 0.000 0.896 413 R HN 0.240 nan 8.270 nan 0.000 0.464 414 V N 1.592 121.468 119.914 -0.063 0.000 3.647 414 V HA 0.062 4.182 4.120 -0.000 0.000 0.279 414 V C -0.154 176.024 176.094 0.139 0.000 1.314 414 V CA -0.147 62.209 62.300 0.092 0.000 1.125 414 V CB -0.383 31.488 31.823 0.078 0.000 0.907 414 V HN 0.270 nan 8.190 nan 0.000 0.434 415 K N -0.001 120.441 120.400 0.070 0.000 3.974 415 K HA -0.201 4.119 4.320 -0.000 0.000 0.280 415 K C 0.654 177.372 176.600 0.196 0.000 0.949 415 K CA 0.461 56.817 56.287 0.116 0.000 0.817 415 K CB -1.963 30.572 32.500 0.058 0.000 1.535 415 K HN 0.408 nan 8.250 nan 0.000 0.444 416 I N 0.712 121.361 120.570 0.132 0.000 2.406 416 I HA -0.225 3.945 4.170 -0.000 0.000 0.249 416 I C 1.603 177.755 176.117 0.058 0.000 1.122 416 I CA 1.078 62.435 61.300 0.096 0.000 1.431 416 I CB -0.028 38.036 38.000 0.107 0.000 1.087 416 I HN 0.311 nan 8.210 nan 0.000 0.424 417 E N 0.530 120.755 120.200 0.042 0.000 2.501 417 E HA -0.113 4.237 4.350 -0.000 0.000 0.203 417 E C 1.432 177.839 176.600 -0.322 0.000 1.072 417 E CA 0.680 56.830 56.400 -0.416 0.000 0.885 417 E CB -0.359 29.126 29.700 -0.359 0.000 0.813 417 E HN 0.261 nan 8.360 nan 0.000 0.556 418 S N -0.765 114.911 115.700 -0.040 0.000 2.666 418 S HA 0.423 4.893 4.470 -0.000 0.000 0.239 418 S C 0.573 175.283 174.600 0.182 0.000 1.031 418 S CA -0.081 58.156 58.200 0.062 0.000 1.015 418 S CB 0.724 63.975 63.200 0.085 0.000 0.981 418 S HN 0.400 nan 8.310 nan 0.000 0.547 419 A N 1.527 124.389 122.820 0.071 0.000 2.351 419 A HA 0.394 4.714 4.320 -0.000 0.000 0.257 419 A C 0.899 178.441 177.584 -0.071 0.000 1.087 419 A CA -0.212 51.689 52.037 -0.227 0.000 0.798 419 A CB 0.163 18.856 19.000 -0.512 0.000 1.033 419 A HN 0.143 nan 8.150 nan 0.000 0.488 420 D N -0.214 120.155 120.400 -0.052 0.000 2.277 420 D HA 0.336 4.976 4.640 -0.000 0.000 0.208 420 D C 0.418 176.760 176.300 0.069 0.000 0.962 420 D CA 1.771 55.805 54.000 0.056 0.000 0.865 420 D CB 0.146 41.038 40.800 0.154 0.000 0.939 420 D HN 0.883 nan 8.370 nan 0.000 0.510 421 A N -1.603 121.213 122.820 -0.008 0.000 2.567 421 A HA 0.486 4.806 4.320 -0.000 0.000 0.291 421 A C -1.679 175.838 177.584 -0.110 0.000 1.048 421 A CA -0.534 51.501 52.037 -0.003 0.000 0.661 421 A CB 0.796 19.879 19.000 0.138 0.000 1.288 421 A HN 0.104 nan 8.150 nan 0.000 0.424 422 C N 1.751 121.003 119.300 -0.080 0.000 2.346 422 C HA 0.723 5.183 4.460 -0.000 0.000 0.326 422 C C -0.980 173.946 174.990 -0.106 0.000 1.224 422 C CA -0.548 58.402 59.018 -0.114 0.000 1.408 422 C CB -0.921 26.785 27.740 -0.057 0.000 2.089 422 C HN 0.681 nan 8.230 nan 0.000 0.456 423 L N 7.338 128.446 121.223 -0.191 0.000 2.272 423 L HA 0.519 4.859 4.340 -0.000 0.000 0.289 423 L C -0.145 176.616 176.870 -0.181 0.000 1.032 423 L CA -0.257 54.462 54.840 -0.201 0.000 0.810 423 L CB 1.090 42.934 42.059 -0.360 0.000 1.205 423 L HN 0.576 nan 8.230 nan 0.000 0.422 424 I N 5.161 125.669 120.570 -0.103 0.000 2.310 424 I HA 0.246 4.415 4.170 -0.000 0.000 0.287 424 I C 0.206 176.267 176.117 -0.094 0.000 1.073 424 I CA -0.379 60.872 61.300 -0.081 0.000 1.216 424 I CB 0.683 38.668 38.000 -0.025 0.000 1.415 424 I HN 0.449 nan 8.210 nan 0.000 0.480 425 L N 5.154 126.302 121.223 -0.125 0.000 2.464 425 L HA 0.554 4.894 4.340 -0.000 0.000 0.264 425 L C 0.592 177.421 176.870 -0.068 0.000 1.199 425 L CA -0.145 54.632 54.840 -0.105 0.000 0.818 425 L CB 0.599 42.594 42.059 -0.106 0.000 1.102 425 L HN 0.632 nan 8.230 nan 0.000 0.473 426 A N 1.169 123.937 122.820 -0.086 0.000 2.479 426 A HA 0.431 4.751 4.320 -0.000 0.000 0.296 426 A C -0.742 176.662 177.584 -0.301 0.000 1.121 426 A CA -0.688 51.270 52.037 -0.133 0.000 0.743 426 A CB 1.262 20.191 19.000 -0.119 0.000 1.323 426 A HN 0.633 nan 8.150 nan 0.000 0.415 427 N N 0.319 118.743 118.700 -0.461 0.000 2.406 427 N HA 0.080 4.820 4.740 -0.000 0.000 0.269 427 N C 0.655 175.839 175.510 -0.543 0.000 1.210 427 N CA 0.097 52.659 53.050 -0.814 0.000 0.966 427 N CB 0.520 38.603 38.487 -0.672 0.000 1.293 427 N HN 0.519 nan 8.380 nan 0.000 0.491 428 K N 2.329 122.370 120.400 -0.598 0.000 2.089 428 K HA -0.182 4.137 4.320 -0.000 0.000 0.210 428 K C -0.071 176.393 176.600 -0.227 0.000 1.048 428 K CA 1.681 57.751 56.287 -0.362 0.000 0.926 428 K CB -0.297 32.032 32.500 -0.284 0.000 0.714 428 K HN 0.660 nan 8.250 nan 0.000 0.448 429 Y N -0.996 119.255 120.300 -0.081 0.000 2.863 429 Y HA 0.460 5.010 4.550 -0.000 0.000 0.348 429 Y C -0.129 175.739 175.900 -0.052 0.000 1.028 429 Y CA -1.991 56.083 58.100 -0.044 0.000 1.213 429 Y CB -0.059 38.389 38.460 -0.020 0.000 1.120 429 Y HN 0.016 nan 8.280 nan 0.000 0.598 430 C N -0.065 119.240 119.300 0.008 0.000 2.871 430 C HA 0.959 5.419 4.460 -0.000 0.000 0.351 430 C C 1.575 176.587 174.990 0.036 0.000 1.338 430 C CA 0.106 59.126 59.018 0.004 0.000 1.686 430 C CB 1.425 29.125 27.740 -0.066 0.000 2.135 430 C HN 0.921 nan 8.230 nan 0.000 0.476 431 A N 0.173 123.014 122.820 0.035 0.000 1.840 431 A HA 0.092 4.412 4.320 -0.000 0.000 0.214 431 A C 1.013 178.620 177.584 0.039 0.000 1.198 431 A CA 2.062 54.123 52.037 0.042 0.000 0.608 431 A CB -0.600 18.423 19.000 0.038 0.000 0.839 431 A HN 0.930 nan 8.150 nan 0.000 0.443 432 D N -1.199 119.217 120.400 0.027 0.000 2.485 432 D HA 0.371 5.010 4.640 -0.000 0.000 0.256 432 D C -2.053 174.257 176.300 0.017 0.000 1.141 432 D CA -2.144 51.872 54.000 0.027 0.000 0.942 432 D CB 1.001 41.815 40.800 0.023 0.000 1.003 432 D HN -0.010 nan 8.370 nan 0.000 0.507 433 P HA -0.117 nan 4.420 nan 0.000 0.215 433 P C 0.833 178.132 177.300 -0.002 0.000 1.157 433 P CA 0.887 63.991 63.100 0.007 0.000 0.874 433 P CB 0.400 32.119 31.700 0.031 0.000 0.790 434 D N -1.424 118.997 120.400 0.035 0.000 2.311 434 D HA -0.094 4.546 4.640 -0.000 0.000 0.212 434 D C 1.751 178.050 176.300 -0.002 0.000 0.972 434 D CA 1.273 55.300 54.000 0.046 0.000 0.887 434 D CB -0.342 40.530 40.800 0.120 0.000 0.915 434 D HN 0.155 nan 8.370 nan 0.000 0.497 435 A N 0.077 122.892 122.820 -0.008 0.000 1.973 435 A HA -0.012 4.308 4.320 -0.000 0.000 0.210 435 A C 2.029 179.590 177.584 -0.039 0.000 1.200 435 A CA 0.276 52.299 52.037 -0.023 0.000 0.707 435 A CB 0.047 19.043 19.000 -0.007 0.000 0.862 435 A HN -0.069 nan 8.150 nan 0.000 0.461 436 E N 0.790 120.967 120.200 -0.038 0.000 2.204 436 E HA -0.172 4.178 4.350 -0.000 0.000 0.195 436 E C 0.772 177.330 176.600 -0.070 0.000 0.990 436 E CA 1.082 57.451 56.400 -0.052 0.000 0.821 436 E CB -0.132 29.529 29.700 -0.065 0.000 0.750 436 E HN 0.530 nan 8.360 nan 0.000 0.477 437 D N -0.262 120.089 120.400 -0.082 0.000 2.194 437 D HA -0.027 4.613 4.640 -0.000 0.000 0.204 437 D C 1.738 177.956 176.300 -0.137 0.000 0.964 437 D CA 0.938 54.873 54.000 -0.109 0.000 0.846 437 D CB -0.092 40.633 40.800 -0.125 0.000 0.962 437 D HN 0.138 nan 8.370 nan 0.000 0.490 438 A N 0.723 123.462 122.820 -0.135 0.000 1.933 438 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 438 A C 2.425 179.941 177.584 -0.113 0.000 1.175 438 A CA 1.581 53.521 52.037 -0.162 0.000 0.628 438 A CB -0.389 18.534 19.000 -0.130 0.000 0.814 438 A HN 0.127 nan 8.150 nan 0.000 0.444 439 S N 0.746 116.400 115.700 -0.077 0.000 2.335 439 S HA -0.159 4.310 4.470 -0.000 0.000 0.216 439 S C 1.929 176.499 174.600 -0.049 0.000 1.032 439 S CA 1.277 59.448 58.200 -0.048 0.000 1.000 439 S CB -0.521 62.663 63.200 -0.026 0.000 0.928 439 S HN 0.697 nan 8.310 nan 0.000 0.434 440 N N 1.797 120.462 118.700 -0.058 0.000 2.061 440 N HA -0.097 4.643 4.740 -0.000 0.000 0.193 440 N C 1.745 177.218 175.510 -0.063 0.000 1.030 440 N CA 1.282 54.299 53.050 -0.054 0.000 0.856 440 N CB -0.637 37.812 38.487 -0.063 0.000 1.023 440 N HN 0.393 nan 8.380 nan 0.000 0.424 441 I N 0.664 121.172 120.570 -0.103 0.000 2.226 441 I HA -0.253 3.917 4.170 -0.000 0.000 0.245 441 I C 2.407 178.476 176.117 -0.080 0.000 1.100 441 I CA 0.932 62.156 61.300 -0.126 0.000 1.374 441 I CB -0.190 37.698 38.000 -0.187 0.000 1.057 441 I HN 0.060 nan 8.210 nan 0.000 0.413 442 M N 0.802 120.359 119.600 -0.072 0.000 2.202 442 M HA -0.196 4.284 4.480 -0.000 0.000 0.262 442 M C 2.246 178.539 176.300 -0.012 0.000 1.063 442 M CA 1.823 57.099 55.300 -0.040 0.000 1.097 442 M CB -0.330 32.248 32.600 -0.037 0.000 1.382 442 M HN 0.009 nan 8.290 nan 0.000 0.413 443 R N -1.389 119.105 120.500 -0.011 0.000 2.062 443 R HA -0.062 4.277 4.340 -0.000 0.000 0.231 443 R C 2.110 178.429 176.300 0.032 0.000 1.136 443 R CA 1.598 57.703 56.100 0.009 0.000 0.948 443 R CB -0.926 29.376 30.300 0.002 0.000 0.845 443 R HN 0.258 nan 8.270 nan 0.000 0.430 444 V N 1.791 121.727 119.914 0.038 0.000 2.439 444 V HA -0.282 3.837 4.120 -0.000 0.000 0.253 444 V C 2.207 178.364 176.094 0.105 0.000 1.074 444 V CA 1.799 64.158 62.300 0.099 0.000 1.076 444 V CB -0.396 31.488 31.823 0.100 0.000 0.664 444 V HN 0.305 nan 8.190 nan 0.000 0.461 445 I N -0.841 119.764 120.570 0.059 0.000 2.233 445 I HA -0.193 3.977 4.170 -0.000 0.000 0.243 445 I C 2.670 178.832 176.117 0.075 0.000 1.093 445 I CA 1.636 62.974 61.300 0.063 0.000 1.380 445 I CB -0.537 37.481 38.000 0.031 0.000 1.067 445 I HN 0.302 nan 8.210 nan 0.000 0.413 446 S N 1.263 117.001 115.700 0.062 0.000 2.359 446 S HA -0.175 4.295 4.470 -0.000 0.000 0.224 446 S C 2.061 176.726 174.600 0.108 0.000 1.035 446 S CA 1.440 59.682 58.200 0.070 0.000 1.018 446 S CB -0.342 62.882 63.200 0.041 0.000 0.876 446 S HN 0.285 nan 8.310 nan 0.000 0.448 447 I N 1.376 122.009 120.570 0.104 0.000 2.099 447 I HA -0.215 3.955 4.170 -0.000 0.000 0.239 447 I C 2.614 178.843 176.117 0.187 0.000 1.066 447 I CA 1.342 62.728 61.300 0.143 0.000 1.324 447 I CB -0.411 37.659 38.000 0.117 0.000 1.037 447 I HN 0.205 nan 8.210 nan 0.000 0.401 448 K N 0.630 121.121 120.400 0.153 0.000 2.152 448 K HA -0.212 4.108 4.320 -0.000 0.000 0.206 448 K C 1.747 178.410 176.600 0.104 0.000 1.048 448 K CA 1.279 57.644 56.287 0.130 0.000 0.933 448 K CB -0.883 31.700 32.500 0.139 0.000 0.721 448 K HN 0.472 nan 8.250 nan 0.000 0.447 449 N N 0.022 118.793 118.700 0.117 0.000 2.331 449 N HA -0.165 4.575 4.740 -0.000 0.000 0.180 449 N C 1.760 177.348 175.510 0.131 0.000 1.019 449 N CA 0.638 53.748 53.050 0.099 0.000 0.881 449 N CB 0.050 38.593 38.487 0.094 0.000 0.972 449 N HN 0.190 nan 8.380 nan 0.000 0.435 450 Y N 0.501 120.838 120.300 0.061 0.000 2.130 450 Y HA -0.018 4.531 4.550 -0.000 0.000 0.287 450 Y C 0.729 176.708 175.900 0.131 0.000 1.124 450 Y CA 1.410 59.559 58.100 0.081 0.000 1.118 450 Y CB -0.143 38.363 38.460 0.078 0.000 0.994 450 Y HN 0.064 nan 8.280 nan 0.000 0.497 451 H N 0.439 119.515 119.070 0.010 0.000 3.108 451 H HA 0.235 4.791 4.556 -0.000 0.000 0.301 451 H C -2.330 173.007 175.328 0.015 0.000 1.139 451 H CA -1.933 54.071 56.048 -0.073 0.000 1.552 451 H CB 1.839 31.559 29.762 -0.070 0.000 1.663 451 H HN 0.098 nan 8.280 nan 0.000 0.517 452 P HA -0.131 nan 4.420 nan 0.000 0.216 452 P C 0.910 178.141 177.300 -0.116 0.000 1.153 452 P CA 1.333 64.358 63.100 -0.124 0.000 0.858 452 P CB 0.336 31.953 31.700 -0.139 0.000 0.789 453 K N -1.065 119.188 120.400 -0.245 0.000 2.487 453 K HA 0.107 4.426 4.320 -0.000 0.000 0.192 453 K C 1.062 177.676 176.600 0.024 0.000 1.027 453 K CA -0.295 55.932 56.287 -0.101 0.000 1.054 453 K CB -0.295 32.138 32.500 -0.111 0.000 0.824 453 K HN 0.249 nan 8.250 nan 0.000 0.510 454 I N 1.680 122.318 120.570 0.114 0.000 2.993 454 I HA -0.066 4.104 4.170 -0.000 0.000 0.286 454 I C 0.290 176.424 176.117 0.029 0.000 1.215 454 I CA -0.183 61.193 61.300 0.127 0.000 1.393 454 I CB 0.507 38.609 38.000 0.169 0.000 1.371 454 I HN 0.063 nan 8.210 nan 0.000 0.602 455 R N 7.389 127.893 120.500 0.005 0.000 2.294 455 R HA 0.558 4.898 4.340 -0.000 0.000 0.319 455 R C -1.509 174.763 176.300 -0.048 0.000 0.984 455 R CA -0.530 55.538 56.100 -0.053 0.000 0.861 455 R CB 0.790 31.065 30.300 -0.041 0.000 1.104 455 R HN 0.623 nan 8.270 nan 0.000 0.451 456 I N 5.882 126.386 120.570 -0.110 0.000 2.530 456 I HA 0.366 4.535 4.170 -0.000 0.000 0.297 456 I C -0.244 175.856 176.117 -0.028 0.000 1.011 456 I CA -1.066 60.222 61.300 -0.021 0.000 1.107 456 I CB 2.172 40.256 38.000 0.140 0.000 1.285 456 I HN 0.568 nan 8.210 nan 0.000 0.436 457 I N 4.831 125.430 120.570 0.049 0.000 2.448 457 I HA 0.265 4.435 4.170 -0.000 0.000 0.281 457 I C -0.256 175.921 176.117 0.100 0.000 1.027 457 I CA -0.241 61.105 61.300 0.077 0.000 1.111 457 I CB 1.640 39.667 38.000 0.044 0.000 1.236 457 I HN 0.518 nan 8.210 nan 0.000 0.452 458 T N 4.587 119.255 114.554 0.190 0.000 2.934 458 T HA 0.327 4.677 4.350 -0.000 0.000 0.283 458 T C -0.141 174.585 174.700 0.044 0.000 1.005 458 T CA -0.610 61.552 62.100 0.104 0.000 1.041 458 T CB 1.387 70.316 68.868 0.102 0.000 1.042 458 T HN 0.461 nan 8.240 nan 0.000 0.505 459 Q N 1.732 121.529 119.800 -0.004 0.000 2.372 459 Q HA 0.377 4.717 4.340 -0.000 0.000 0.259 459 Q C -0.656 175.324 176.000 -0.034 0.000 0.993 459 Q CA -0.574 55.219 55.803 -0.017 0.000 0.854 459 Q CB 1.038 29.754 28.738 -0.037 0.000 1.231 459 Q HN 0.355 nan 8.270 nan 0.000 0.462 460 M N 2.636 122.220 119.600 -0.027 0.000 2.314 460 M HA 0.237 4.717 4.480 -0.000 0.000 0.342 460 M C 0.699 176.976 176.300 -0.038 0.000 1.171 460 M CA -0.043 55.226 55.300 -0.051 0.000 1.098 460 M CB 1.283 33.846 32.600 -0.061 0.000 1.559 460 M HN 0.686 nan 8.290 nan 0.000 0.459 461 L N 0.236 121.424 121.223 -0.059 0.000 2.470 461 L HA 0.117 4.456 4.340 -0.000 0.000 0.219 461 L C 0.145 176.997 176.870 -0.030 0.000 1.071 461 L CA 0.447 55.265 54.840 -0.037 0.000 0.850 461 L CB 0.161 42.192 42.059 -0.046 0.000 1.040 461 L HN 0.617 nan 8.230 nan 0.000 0.475 462 Q N -1.956 117.785 119.800 -0.098 0.000 2.305 462 Q HA 0.160 4.500 4.340 -0.000 0.000 0.271 462 Q C -0.099 175.799 176.000 -0.169 0.000 1.046 462 Q CA -0.454 55.261 55.803 -0.148 0.000 0.798 462 Q CB 1.821 30.352 28.738 -0.346 0.000 1.286 462 Q HN 0.104 nan 8.270 nan 0.000 0.435 463 Y N 3.199 123.435 120.300 -0.107 0.000 2.384 463 Y HA -0.262 4.287 4.550 -0.000 0.000 0.289 463 Y C 1.646 177.535 175.900 -0.018 0.000 1.152 463 Y CA 2.477 60.556 58.100 -0.035 0.000 1.258 463 Y CB 0.460 38.936 38.460 0.026 0.000 0.979 463 Y HN 0.854 nan 8.280 nan 0.000 0.549 464 H N -2.775 116.307 119.070 0.020 0.000 2.497 464 H HA 0.067 4.623 4.556 -0.000 0.000 0.282 464 H C 0.996 176.300 175.328 -0.040 0.000 1.003 464 H CA 0.873 56.898 56.048 -0.039 0.000 1.307 464 H CB -0.323 29.461 29.762 0.037 0.000 1.437 464 H HN 0.285 nan 8.280 nan 0.000 0.544 465 N N 1.575 120.049 118.700 -0.377 0.000 2.457 465 N HA -0.077 4.663 4.740 -0.000 0.000 0.180 465 N C 1.760 177.234 175.510 -0.060 0.000 1.050 465 N CA 0.417 53.417 53.050 -0.083 0.000 0.906 465 N CB 0.008 38.370 38.487 -0.209 0.000 0.968 465 N HN 0.467 nan 8.380 nan 0.000 0.445 466 K N 0.969 121.258 120.400 -0.184 0.000 2.362 466 K HA 0.060 4.379 4.320 -0.000 0.000 0.200 466 K C 1.411 177.917 176.600 -0.157 0.000 1.046 466 K CA 0.645 56.820 56.287 -0.187 0.000 0.952 466 K CB 0.085 32.428 32.500 -0.262 0.000 0.753 466 K HN 0.060 nan 8.250 nan 0.000 0.466 467 A N -0.480 122.242 122.820 -0.163 0.000 2.238 467 A HA -0.041 4.278 4.320 -0.000 0.000 0.208 467 A C 1.146 178.628 177.584 -0.169 0.000 1.177 467 A CA 0.631 52.577 52.037 -0.151 0.000 0.804 467 A CB -0.425 18.477 19.000 -0.164 0.000 0.823 467 A HN 0.359 nan 8.150 nan 0.000 0.482 468 H N -0.236 118.746 119.070 -0.147 0.000 2.372 468 H HA 0.105 4.661 4.556 -0.000 0.000 0.301 468 H C 1.723 176.922 175.328 -0.216 0.000 1.065 468 H CA 1.570 57.529 56.048 -0.148 0.000 1.364 468 H CB -0.071 29.606 29.762 -0.141 0.000 1.406 468 H HN 0.388 nan 8.280 nan 0.000 0.521 469 L N 0.480 121.567 121.223 -0.227 0.000 2.351 469 L HA -0.199 4.141 4.340 -0.000 0.000 0.220 469 L C 1.625 178.248 176.870 -0.411 0.000 1.127 469 L CA 0.763 55.250 54.840 -0.589 0.000 0.786 469 L CB -0.416 40.937 42.059 -1.177 0.000 0.914 469 L HN 0.349 nan 8.230 nan 0.000 0.443 470 L N -0.561 120.559 121.223 -0.173 0.000 2.313 470 L HA -0.072 4.268 4.340 -0.000 0.000 0.214 470 L C 1.696 178.533 176.870 -0.056 0.000 1.119 470 L CA 0.413 55.210 54.840 -0.072 0.000 0.809 470 L CB -0.540 41.478 42.059 -0.068 0.000 0.933 470 L HN 0.343 nan 8.230 nan 0.000 0.449 471 N N 0.694 119.356 118.700 -0.064 0.000 2.550 471 N HA 0.080 4.819 4.740 -0.000 0.000 0.186 471 N C 0.462 175.971 175.510 -0.001 0.000 1.110 471 N CA 0.665 53.695 53.050 -0.033 0.000 0.912 471 N CB 0.121 38.594 38.487 -0.024 0.000 0.968 471 N HN 0.338 nan 8.380 nan 0.000 0.448 472 I N 1.428 122.006 120.570 0.014 0.000 2.307 472 I HA 0.192 4.362 4.170 -0.000 0.000 0.289 472 I C -1.542 174.648 176.117 0.122 0.000 1.021 472 I CA -1.904 59.440 61.300 0.072 0.000 1.224 472 I CB 1.902 39.964 38.000 0.103 0.000 1.376 472 I HN -0.284 nan 8.210 nan 0.000 0.470 473 P HA -0.044 nan 4.420 nan 0.000 0.221 473 P C 1.352 178.699 177.300 0.078 0.000 1.150 473 P CA 0.908 64.043 63.100 0.059 0.000 0.800 473 P CB 0.297 32.014 31.700 0.028 0.000 0.787 474 S N -1.868 113.893 115.700 0.102 0.000 2.423 474 S HA -0.106 4.364 4.470 -0.000 0.000 0.231 474 S C 0.565 175.252 174.600 0.145 0.000 1.014 474 S CA 0.202 58.458 58.200 0.093 0.000 0.965 474 S CB -0.614 62.640 63.200 0.091 0.000 0.785 474 S HN 0.332 nan 8.310 nan 0.000 0.495 475 W N 5.726 127.041 121.300 0.025 0.000 2.497 475 W HA 0.257 4.917 4.660 -0.000 0.000 0.354 475 W C -0.893 175.654 176.519 0.048 0.000 1.111 475 W CA -0.614 56.769 57.345 0.065 0.000 1.510 475 W CB -0.270 29.242 29.460 0.087 0.000 1.466 475 W HN 0.206 nan 8.180 nan 0.000 0.409 476 N N 4.700 123.331 118.700 -0.116 0.000 2.284 476 N HA 0.133 4.873 4.740 -0.000 0.000 0.300 476 N C 0.258 175.737 175.510 -0.051 0.000 1.047 476 N CA -0.574 52.422 53.050 -0.090 0.000 0.821 476 N CB 0.544 38.998 38.487 -0.055 0.000 1.337 476 N HN 0.212 nan 8.380 nan 0.000 0.482 477 W N 1.668 122.876 121.300 -0.153 0.000 2.436 477 W HA 0.169 4.828 4.660 -0.000 0.000 0.284 477 W C 1.946 178.406 176.519 -0.099 0.000 1.225 477 W CA 0.236 57.497 57.345 -0.140 0.000 1.271 477 W CB -0.573 28.875 29.460 -0.020 0.000 1.114 477 W HN 0.666 nan 8.180 nan 0.000 0.559 478 K N 0.984 121.472 120.400 0.147 0.000 2.113 478 K HA -0.226 4.093 4.320 -0.000 0.000 0.208 478 K C 0.945 177.568 176.600 0.039 0.000 1.047 478 K CA 1.680 58.016 56.287 0.083 0.000 0.928 478 K CB -0.253 32.274 32.500 0.045 0.000 0.716 478 K HN 0.049 nan 8.250 nan 0.000 0.446 479 E N -1.088 119.114 120.200 0.003 0.000 2.338 479 E HA 0.081 4.431 4.350 -0.000 0.000 0.231 479 E C 0.160 176.724 176.600 -0.059 0.000 1.231 479 E CA 0.274 56.659 56.400 -0.025 0.000 1.490 479 E CB 0.006 29.686 29.700 -0.033 0.000 1.360 479 E HN 0.551 nan 8.360 nan 0.000 0.435 480 G N 1.018 109.787 108.800 -0.052 0.000 2.284 480 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.247 480 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.247 480 G C 0.063 174.866 174.900 -0.161 0.000 1.012 480 G CA 0.093 45.142 45.100 -0.084 0.000 0.618 480 G HN 0.468 nan 8.290 nan 0.000 0.521 481 D N 1.898 122.135 120.400 -0.270 0.000 2.525 481 D HA 0.471 5.110 4.640 -0.000 0.000 0.235 481 D C 0.125 176.155 176.300 -0.450 0.000 1.137 481 D CA 0.948 54.599 54.000 -0.581 0.000 0.868 481 D CB 0.858 40.992 40.800 -1.110 0.000 1.180 481 D HN 0.316 nan 8.370 nan 0.000 0.465 482 D N -0.745 119.442 120.400 -0.355 0.000 2.623 482 D HA 0.565 5.205 4.640 -0.000 0.000 0.241 482 D C -1.452 174.970 176.300 0.202 0.000 1.241 482 D CA -0.509 53.420 54.000 -0.119 0.000 0.788 482 D CB 1.850 42.573 40.800 -0.129 0.000 1.413 482 D HN 0.241 nan 8.370 nan 0.000 0.429 483 A N 2.066 124.974 122.820 0.146 0.000 2.457 483 A HA 0.460 4.780 4.320 -0.000 0.000 0.283 483 A C -0.648 176.960 177.584 0.040 0.000 1.166 483 A CA -0.587 51.543 52.037 0.156 0.000 0.740 483 A CB 0.465 19.556 19.000 0.152 0.000 1.181 483 A HN 0.386 nan 8.150 nan 0.000 0.446 484 I N 2.249 122.842 120.570 0.038 0.000 2.576 484 I HA -0.006 4.164 4.170 -0.000 0.000 0.288 484 I C 0.639 176.776 176.117 0.033 0.000 1.126 484 I CA 0.092 61.409 61.300 0.027 0.000 1.362 484 I CB 0.017 38.035 38.000 0.030 0.000 1.419 484 I HN 0.646 nan 8.210 nan 0.000 0.533 485 C N 7.659 126.987 119.300 0.047 0.000 2.464 485 C HA 0.186 4.646 4.460 -0.000 0.000 0.370 485 C C 1.723 176.761 174.990 0.079 0.000 1.267 485 C CA -0.486 58.571 59.018 0.064 0.000 1.781 485 C CB -0.337 27.475 27.740 0.121 0.000 2.431 485 C HN 0.717 nan 8.230 nan 0.000 0.556 486 L N 5.415 126.675 121.223 0.062 0.000 2.179 486 L HA 0.100 4.439 4.340 -0.000 0.000 0.208 486 L C 2.494 179.422 176.870 0.097 0.000 1.096 486 L CA 2.198 57.084 54.840 0.077 0.000 0.779 486 L CB -0.760 41.329 42.059 0.050 0.000 0.922 486 L HN 0.852 nan 8.230 nan 0.000 0.443 487 A N -1.110 121.761 122.820 0.084 0.000 1.898 487 A HA -0.163 4.156 4.320 -0.000 0.000 0.214 487 A C 2.284 179.914 177.584 0.076 0.000 1.183 487 A CA 1.169 53.255 52.037 0.082 0.000 0.622 487 A CB -0.441 18.605 19.000 0.077 0.000 0.824 487 A HN 0.428 nan 8.150 nan 0.000 0.444 488 E N -0.045 120.211 120.200 0.093 0.000 2.118 488 E HA -0.185 4.165 4.350 -0.000 0.000 0.195 488 E C 1.807 178.449 176.600 0.071 0.000 0.992 488 E CA 1.367 57.801 56.400 0.058 0.000 0.804 488 E CB -0.161 29.614 29.700 0.125 0.000 0.741 488 E HN 0.632 nan 8.360 nan 0.000 0.458 489 L N 0.241 121.548 121.223 0.140 0.000 2.145 489 L HA -0.023 4.317 4.340 -0.000 0.000 0.201 489 L C 2.766 179.833 176.870 0.329 0.000 1.075 489 L CA 0.690 55.688 54.840 0.264 0.000 0.773 489 L CB -0.449 41.794 42.059 0.307 0.000 0.936 489 L HN 0.063 nan 8.230 nan 0.000 0.451 490 K N 1.060 121.579 120.400 0.198 0.000 2.015 490 K HA -0.234 4.086 4.320 -0.000 0.000 0.216 490 K C 2.107 178.651 176.600 -0.093 0.000 1.052 490 K CA 1.866 58.208 56.287 0.091 0.000 0.937 490 K CB -0.239 32.335 32.500 0.123 0.000 0.719 490 K HN 0.187 nan 8.250 nan 0.000 0.446 491 L N -0.097 121.109 121.223 -0.027 0.000 2.056 491 L HA -0.062 4.278 4.340 -0.000 0.000 0.207 491 L C 2.689 179.526 176.870 -0.055 0.000 1.078 491 L CA 1.242 56.044 54.840 -0.064 0.000 0.749 491 L CB -0.858 41.179 42.059 -0.035 0.000 0.901 491 L HN 0.462 nan 8.230 nan 0.000 0.433 492 G N -0.052 108.740 108.800 -0.014 0.000 2.505 492 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.220 492 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.220 492 G C 1.432 176.297 174.900 -0.057 0.000 1.145 492 G CA 0.917 45.994 45.100 -0.040 0.000 0.761 492 G HN 0.177 nan 8.290 nan 0.000 0.571 493 F N 0.853 120.732 119.950 -0.118 0.000 2.075 493 F HA 0.018 4.545 4.527 -0.000 0.000 0.297 493 F C 2.762 178.452 175.800 -0.183 0.000 1.113 493 F CA 1.238 59.167 58.000 -0.118 0.000 1.218 493 F CB -0.277 38.647 39.000 -0.126 0.000 0.984 493 F HN 0.058 nan 8.300 nan 0.000 0.472 494 I N -0.406 120.090 120.570 -0.125 0.000 2.264 494 I HA -0.340 3.830 4.170 -0.000 0.000 0.248 494 I C 2.610 178.682 176.117 -0.074 0.000 1.111 494 I CA 1.048 62.267 61.300 -0.134 0.000 1.382 494 I CB -1.045 36.846 38.000 -0.181 0.000 1.060 494 I HN 0.127 nan 8.210 nan 0.000 0.418 495 A N 0.875 123.648 122.820 -0.079 0.000 1.849 495 A HA -0.260 4.059 4.320 -0.000 0.000 0.217 495 A C 2.288 179.838 177.584 -0.056 0.000 1.202 495 A CA 1.670 53.659 52.037 -0.080 0.000 0.629 495 A CB -0.717 18.229 19.000 -0.091 0.000 0.834 495 A HN 0.413 nan 8.150 nan 0.000 0.447 496 Q N 0.194 119.965 119.800 -0.048 0.000 2.234 496 Q HA -0.113 4.227 4.340 -0.000 0.000 0.206 496 Q C 2.234 178.244 176.000 0.016 0.000 0.980 496 Q CA 1.652 57.448 55.803 -0.012 0.000 0.869 496 Q CB -0.696 28.011 28.738 -0.051 0.000 0.912 496 Q HN 0.650 nan 8.270 nan 0.000 0.436 497 S N 0.029 115.733 115.700 0.006 0.000 2.515 497 S HA -0.060 4.410 4.470 -0.000 0.000 0.231 497 S C 1.950 176.550 174.600 0.001 0.000 0.987 497 S CA 0.371 58.584 58.200 0.022 0.000 0.936 497 S CB -0.125 63.095 63.200 0.033 0.000 0.766 497 S HN 0.413 nan 8.310 nan 0.000 0.528 498 C N 0.912 120.199 119.300 -0.022 0.000 2.464 498 C HA 0.151 4.611 4.460 -0.000 0.000 0.278 498 C C 2.179 177.152 174.990 -0.028 0.000 1.375 498 C CA 0.016 59.009 59.018 -0.042 0.000 1.761 498 C CB -1.227 26.465 27.740 -0.079 0.000 1.944 498 C HN 0.414 nan 8.230 nan 0.000 0.509 499 L N 1.138 122.362 121.223 0.001 0.000 2.004 499 L HA 0.167 4.507 4.340 -0.000 0.000 0.205 499 L C 1.572 178.461 176.870 0.031 0.000 1.089 499 L CA 1.884 56.749 54.840 0.041 0.000 0.756 499 L CB -1.174 40.955 42.059 0.116 0.000 0.900 499 L HN 0.208 nan 8.230 nan 0.000 0.440 500 A N -0.095 122.764 122.820 0.065 0.000 2.654 500 A HA 0.309 4.629 4.320 -0.000 0.000 0.345 500 A C -0.031 177.589 177.584 0.061 0.000 1.368 500 A CA -0.431 51.634 52.037 0.047 0.000 0.895 500 A CB -0.330 18.800 19.000 0.216 0.000 1.143 500 A HN 0.330 nan 8.150 nan 0.000 0.490 501 Q N 1.058 120.808 119.800 -0.084 0.000 2.368 501 Q HA 0.244 4.584 4.340 -0.000 0.000 0.331 501 Q C 1.285 177.190 176.000 -0.158 0.000 1.086 501 Q CA 1.997 57.748 55.803 -0.088 0.000 1.031 501 Q CB 0.154 28.861 28.738 -0.052 0.000 1.125 501 Q HN 1.635 nan 8.270 nan 0.000 0.389 502 G N 3.251 112.045 108.800 -0.011 0.000 2.232 502 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.226 502 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.226 502 G C 0.524 175.389 174.900 -0.058 0.000 0.996 502 G CA 0.130 45.242 45.100 0.019 0.000 0.626 502 G HN 0.616 nan 8.290 nan 0.000 0.509 503 L N 2.282 123.484 121.223 -0.035 0.000 2.051 503 L HA -0.157 4.183 4.340 -0.000 0.000 0.214 503 L C 2.940 179.841 176.870 0.052 0.000 1.076 503 L CA 3.625 58.432 54.840 -0.055 0.000 0.758 503 L CB -1.368 40.724 42.059 0.056 0.000 0.890 503 L HN 0.739 nan 8.230 nan 0.000 0.433 504 S N -0.598 115.186 115.700 0.140 0.000 2.377 504 S HA -0.288 4.182 4.470 -0.000 0.000 0.224 504 S C 2.003 176.752 174.600 0.250 0.000 1.042 504 S CA 2.451 60.869 58.200 0.363 0.000 1.086 504 S CB -1.560 61.854 63.200 0.356 0.000 0.995 504 S HN 0.692 nan 8.310 nan 0.000 0.428 505 T N -0.336 114.193 114.554 -0.042 0.000 2.867 505 T HA 0.019 4.369 4.350 -0.000 0.000 0.268 505 T C 1.803 176.491 174.700 -0.019 0.000 1.057 505 T CA 1.298 63.230 62.100 -0.280 0.000 1.136 505 T CB -0.577 67.843 68.868 -0.746 0.000 0.874 505 T HN 0.416 nan 8.240 nan 0.000 0.466 506 M N 0.126 119.724 119.600 -0.003 0.000 2.080 506 M HA -0.001 4.479 4.480 -0.000 0.000 0.260 506 M C 1.842 178.164 176.300 0.037 0.000 1.068 506 M CA 1.635 56.935 55.300 -0.000 0.000 1.109 506 M CB -0.262 32.244 32.600 -0.156 0.000 1.342 506 M HN 0.263 nan 8.290 nan 0.000 0.405 507 L N 0.459 121.745 121.223 0.104 0.000 2.093 507 L HA -0.040 4.300 4.340 -0.000 0.000 0.208 507 L C 2.712 179.604 176.870 0.037 0.000 1.085 507 L CA 1.828 56.781 54.840 0.189 0.000 0.755 507 L CB -1.449 40.813 42.059 0.337 0.000 0.904 507 L HN 0.387 nan 8.230 nan 0.000 0.435 508 A N 0.112 122.934 122.820 0.004 0.000 1.849 508 A HA -0.281 4.039 4.320 -0.000 0.000 0.217 508 A C 2.111 179.349 177.584 -0.578 0.000 1.202 508 A CA 2.223 54.024 52.037 -0.392 0.000 0.629 508 A CB -0.849 18.177 19.000 0.042 0.000 0.834 508 A HN 0.497 nan 8.150 nan 0.000 0.447 509 N N 0.236 118.830 118.700 -0.177 0.000 2.348 509 N HA -0.105 4.634 4.740 -0.000 0.000 0.185 509 N C 1.471 176.859 175.510 -0.203 0.000 1.019 509 N CA 1.209 54.167 53.050 -0.154 0.000 0.880 509 N CB -0.534 37.938 38.487 -0.025 0.000 0.965 509 N HN 0.579 nan 8.380 nan 0.000 0.437 510 L N -0.573 120.533 121.223 -0.195 0.000 2.217 510 L HA -0.037 4.303 4.340 -0.000 0.000 0.211 510 L C 1.309 178.159 176.870 -0.032 0.000 1.107 510 L CA 0.910 55.709 54.840 -0.068 0.000 0.783 510 L CB -0.302 41.785 42.059 0.046 0.000 0.919 510 L HN 0.203 nan 8.230 nan 0.000 0.442 511 F N -1.944 118.007 119.950 0.001 0.000 2.784 511 F HA 0.299 4.826 4.527 -0.000 0.000 0.323 511 F C 0.963 176.737 175.800 -0.042 0.000 1.085 511 F CA -1.003 56.982 58.000 -0.026 0.000 1.196 511 F CB -0.649 38.371 39.000 0.033 0.000 1.053 511 F HN -0.108 nan 8.300 nan 0.000 0.578 512 S N 1.733 117.257 115.700 -0.295 0.000 2.475 512 S HA 0.481 4.951 4.470 -0.000 0.000 0.281 512 S C -0.224 174.240 174.600 -0.225 0.000 1.198 512 S CA -0.636 57.464 58.200 -0.166 0.000 1.063 512 S CB 1.111 64.163 63.200 -0.247 0.000 0.972 512 S HN 0.268 nan 8.310 nan 0.000 0.486 513 M N 3.101 122.554 119.600 -0.245 0.000 2.284 513 M HA 0.280 4.760 4.480 -0.000 0.000 0.351 513 M C -0.265 175.698 176.300 -0.561 0.000 1.443 513 M CA 0.552 55.574 55.300 -0.463 0.000 1.031 513 M CB -0.302 31.947 32.600 -0.585 0.000 1.893 513 M HN 0.686 nan 8.290 nan 0.000 0.456 514 R N 2.325 122.465 120.500 -0.600 0.000 2.439 514 R HA 0.409 4.749 4.340 -0.000 0.000 0.310 514 R C -0.786 175.227 176.300 -0.478 0.000 0.955 514 R CA -0.419 55.367 56.100 -0.522 0.000 0.853 514 R CB 1.301 31.345 30.300 -0.426 0.000 1.171 514 R HN 0.741 nan 8.270 nan 0.000 0.449 515 S N 4.262 119.875 115.700 -0.145 0.000 2.498 515 S HA 0.252 4.722 4.470 -0.000 0.000 0.314 515 S C 0.231 174.885 174.600 0.089 0.000 1.141 515 S CA -0.590 57.629 58.200 0.033 0.000 1.087 515 S CB -0.639 62.681 63.200 0.200 0.000 1.178 515 S HN 0.456 nan 8.310 nan 0.000 0.533 516 F N 2.648 122.594 119.950 -0.007 0.000 2.635 516 F HA 0.157 4.684 4.527 -0.000 0.000 0.379 516 F C 0.893 176.698 175.800 0.007 0.000 1.094 516 F CA -0.283 57.702 58.000 -0.026 0.000 1.300 516 F CB 0.218 39.195 39.000 -0.038 0.000 1.035 516 F HN 0.442 nan 8.300 nan 0.000 0.581 517 I N 2.630 123.320 120.570 0.201 0.000 2.769 517 I HA 0.233 4.403 4.170 -0.000 0.000 0.298 517 I C -0.571 175.567 176.117 0.035 0.000 1.128 517 I CA -1.081 60.283 61.300 0.106 0.000 1.031 517 I CB 2.570 40.635 38.000 0.109 0.000 1.235 517 I HN 0.470 nan 8.210 nan 0.000 0.423 518 K N 6.360 126.765 120.400 0.008 0.000 2.253 518 K HA 0.627 4.947 4.320 -0.000 0.000 0.277 518 K C -1.440 175.131 176.600 -0.048 0.000 1.053 518 K CA -0.307 55.964 56.287 -0.028 0.000 0.892 518 K CB 0.827 33.313 32.500 -0.024 0.000 1.102 518 K HN 0.514 nan 8.250 nan 0.000 0.469 519 I N 5.182 125.706 120.570 -0.076 0.000 2.468 519 I HA 0.110 4.280 4.170 -0.000 0.000 0.285 519 I C 0.626 176.669 176.117 -0.123 0.000 1.039 519 I CA -0.297 60.944 61.300 -0.099 0.000 1.074 519 I CB 1.895 39.823 38.000 -0.120 0.000 1.228 519 I HN 0.773 nan 8.210 nan 0.000 0.436 520 E N 4.331 124.466 120.200 -0.108 0.000 2.562 520 E HA 0.102 4.452 4.350 -0.000 0.000 0.214 520 E C 0.318 176.853 176.600 -0.109 0.000 0.979 520 E CA -0.041 56.293 56.400 -0.111 0.000 1.002 520 E CB 0.339 29.991 29.700 -0.080 0.000 1.048 520 E HN 0.616 nan 8.360 nan 0.000 0.488 521 E N 1.523 121.656 120.200 -0.112 0.000 2.463 521 E HA -0.113 4.237 4.350 -0.000 0.000 0.201 521 E C -0.586 175.946 176.600 -0.114 0.000 1.045 521 E CA 0.643 56.984 56.400 -0.099 0.000 0.872 521 E CB -0.323 29.317 29.700 -0.100 0.000 0.797 521 E HN 0.251 nan 8.360 nan 0.000 0.538 522 D N 0.584 120.892 120.400 -0.153 0.000 2.705 522 D HA -0.141 4.499 4.640 -0.000 0.000 0.240 522 D C -0.457 175.701 176.300 -0.236 0.000 1.137 522 D CA 1.215 55.114 54.000 -0.169 0.000 0.677 522 D CB -0.897 39.845 40.800 -0.096 0.000 1.049 522 D HN 0.305 nan 8.370 nan 0.000 0.427 523 T N -3.578 110.849 114.554 -0.212 0.000 2.844 523 T HA 0.431 4.781 4.350 -0.000 0.000 0.274 523 T C 1.445 176.161 174.700 0.027 0.000 0.991 523 T CA -0.557 61.434 62.100 -0.182 0.000 0.983 523 T CB 0.746 69.503 68.868 -0.184 0.000 1.310 523 T HN 0.332 nan 8.240 nan 0.000 0.596 524 W N 0.896 122.347 121.300 0.251 0.000 2.425 524 W HA -0.103 4.557 4.660 -0.000 0.000 0.277 524 W C 1.233 177.677 176.519 -0.126 0.000 1.231 524 W CA 0.943 58.322 57.345 0.057 0.000 1.248 524 W CB -0.804 28.542 29.460 -0.189 0.000 1.117 524 W HN 0.695 nan 8.180 nan 0.000 0.568 525 Q N 1.528 120.764 119.800 -0.940 0.000 2.488 525 Q HA -0.095 4.245 4.340 -0.000 0.000 0.211 525 Q C 1.848 177.723 176.000 -0.208 0.000 0.967 525 Q CA 1.220 56.535 55.803 -0.813 0.000 0.926 525 Q CB -0.394 27.717 28.738 -1.046 0.000 0.992 525 Q HN 0.497 nan 8.270 nan 0.000 0.506 526 K N 0.960 121.281 120.400 -0.132 0.000 2.017 526 K HA -0.109 4.211 4.320 -0.000 0.000 0.207 526 K C 1.719 178.296 176.600 -0.039 0.000 1.035 526 K CA 0.783 56.984 56.287 -0.142 0.000 0.947 526 K CB -0.242 32.076 32.500 -0.303 0.000 0.749 526 K HN 0.060 nan 8.250 nan 0.000 0.443 527 Y N -0.039 120.345 120.300 0.140 0.000 2.193 527 Y HA -0.280 4.270 4.550 -0.000 0.000 0.285 527 Y C 2.424 178.487 175.900 0.273 0.000 1.166 527 Y CA 1.892 60.138 58.100 0.243 0.000 1.181 527 Y CB -0.807 37.929 38.460 0.461 0.000 0.976 527 Y HN 0.353 nan 8.280 nan 0.000 0.520 528 Y N -0.081 120.442 120.300 0.372 0.000 2.200 528 Y HA -0.200 4.350 4.550 -0.000 0.000 0.290 528 Y C 2.168 178.181 175.900 0.187 0.000 1.137 528 Y CA 1.030 59.338 58.100 0.346 0.000 1.163 528 Y CB -0.634 38.026 38.460 0.334 0.000 0.988 528 Y HN 0.124 nan 8.280 nan 0.000 0.518 529 L N 0.781 121.947 121.223 -0.095 0.000 2.141 529 L HA -0.127 4.212 4.340 -0.000 0.000 0.209 529 L C 2.159 178.891 176.870 -0.231 0.000 1.094 529 L CA 1.616 56.321 54.840 -0.225 0.000 0.763 529 L CB -0.742 41.267 42.059 -0.083 0.000 0.908 529 L HN 0.213 nan 8.230 nan 0.000 0.437 530 E N -0.524 119.576 120.200 -0.167 0.000 2.118 530 E HA -0.172 4.178 4.350 -0.000 0.000 0.195 530 E C 2.026 178.494 176.600 -0.220 0.000 0.992 530 E CA 1.309 57.592 56.400 -0.195 0.000 0.804 530 E CB -0.510 29.087 29.700 -0.170 0.000 0.741 530 E HN 0.598 nan 8.360 nan 0.000 0.458 531 G N 0.602 109.287 108.800 -0.193 0.000 2.623 531 G HA2 -0.050 3.909 3.960 -0.000 0.000 0.214 531 G HA3 -0.050 3.909 3.960 -0.000 0.000 0.214 531 G C 1.714 176.500 174.900 -0.190 0.000 1.138 531 G CA 0.189 45.190 45.100 -0.166 0.000 0.794 531 G HN 0.147 nan 8.290 nan 0.000 0.535 532 V N 2.009 121.752 119.914 -0.283 0.000 2.809 532 V HA -0.144 3.976 4.120 -0.000 0.000 0.256 532 V C 3.001 178.978 176.094 -0.195 0.000 1.080 532 V CA 1.863 64.010 62.300 -0.256 0.000 1.102 532 V CB -0.228 31.398 31.823 -0.329 0.000 0.705 532 V HN 0.562 nan 8.190 nan 0.000 0.475 533 S N -0.030 115.466 115.700 -0.341 0.000 2.537 533 S HA -0.062 4.407 4.470 -0.000 0.000 0.240 533 S C 0.795 175.250 174.600 -0.241 0.000 0.981 533 S CA 0.424 58.242 58.200 -0.636 0.000 0.948 533 S CB -0.665 62.082 63.200 -0.755 0.000 0.759 533 S HN 0.614 nan 8.310 nan 0.000 0.531 534 N N 2.550 121.193 118.700 -0.095 0.000 2.434 534 N HA 0.405 5.145 4.740 -0.000 0.000 0.272 534 N C -0.275 175.271 175.510 0.059 0.000 1.040 534 N CA -0.105 52.954 53.050 0.014 0.000 0.956 534 N CB 1.413 39.906 38.487 0.011 0.000 1.108 534 N HN 0.456 nan 8.380 nan 0.000 0.481 535 E N 0.767 121.037 120.200 0.117 0.000 2.601 535 E HA 0.456 4.806 4.350 -0.000 0.000 0.250 535 E C -0.277 176.286 176.600 -0.063 0.000 1.099 535 E CA -0.617 55.767 56.400 -0.026 0.000 0.968 535 E CB 1.325 30.932 29.700 -0.155 0.000 1.290 535 E HN 0.411 nan 8.360 nan 0.000 0.505 536 M N 1.342 120.784 119.600 -0.263 0.000 2.142 536 M HA 0.415 4.895 4.480 -0.000 0.000 0.299 536 M C -1.938 174.195 176.300 -0.277 0.000 0.960 536 M CA -0.380 54.858 55.300 -0.103 0.000 0.920 536 M CB 0.581 33.208 32.600 0.046 0.000 1.541 536 M HN 0.465 nan 8.290 nan 0.000 0.429 537 Y N 1.198 121.591 120.300 0.155 0.000 2.587 537 Y HA 0.714 5.264 4.550 -0.000 0.000 0.337 537 Y C 0.190 176.184 175.900 0.157 0.000 1.065 537 Y CA -0.644 57.527 58.100 0.119 0.000 1.126 537 Y CB 2.372 40.871 38.460 0.065 0.000 1.279 537 Y HN 0.608 nan 8.280 nan 0.000 0.489 538 T N -0.977 113.711 114.554 0.223 0.000 2.985 538 T HA 0.590 4.940 4.350 -0.000 0.000 0.315 538 T C -1.060 173.648 174.700 0.014 0.000 1.001 538 T CA -0.811 61.310 62.100 0.035 0.000 1.016 538 T CB 1.457 70.170 68.868 -0.259 0.000 0.993 538 T HN 0.505 nan 8.240 nan 0.000 0.454 539 E N 2.057 122.329 120.200 0.120 0.000 2.256 539 E HA 0.533 4.883 4.350 -0.000 0.000 0.267 539 E C -1.320 175.365 176.600 0.142 0.000 0.892 539 E CA -0.971 55.461 56.400 0.053 0.000 0.775 539 E CB 1.176 30.825 29.700 -0.085 0.000 1.207 539 E HN 0.618 nan 8.360 nan 0.000 0.420 540 Y N 1.906 122.349 120.300 0.237 0.000 2.480 540 Y HA 0.148 4.698 4.550 -0.000 0.000 0.338 540 Y C 0.247 176.324 175.900 0.296 0.000 1.220 540 Y CA 0.224 58.511 58.100 0.311 0.000 1.430 540 Y CB 0.536 39.256 38.460 0.434 0.000 1.311 540 Y HN 0.351 nan 8.280 nan 0.000 0.575 541 L N 2.860 124.293 121.223 0.350 0.000 2.305 541 L HA 0.209 4.549 4.340 -0.000 0.000 0.281 541 L C 0.619 177.626 176.870 0.228 0.000 1.085 541 L CA -0.305 54.675 54.840 0.233 0.000 0.813 541 L CB 1.111 43.267 42.059 0.161 0.000 1.157 541 L HN 0.645 nan 8.230 nan 0.000 0.436 542 S N 1.441 117.308 115.700 0.278 0.000 2.598 542 S HA 0.026 4.496 4.470 -0.000 0.000 0.256 542 S C 1.324 176.031 174.600 0.178 0.000 1.350 542 S CA -0.295 58.002 58.200 0.161 0.000 0.984 542 S CB 1.012 64.352 63.200 0.233 0.000 0.930 542 S HN 0.675 nan 8.310 nan 0.000 0.577 543 S N 1.806 117.528 115.700 0.036 0.000 2.428 543 S HA 0.016 4.485 4.470 -0.000 0.000 0.230 543 S C 1.995 176.573 174.600 -0.036 0.000 1.014 543 S CA 0.757 58.969 58.200 0.020 0.000 0.957 543 S CB -0.572 62.625 63.200 -0.004 0.000 0.784 543 S HN 0.801 nan 8.310 nan 0.000 0.499 544 A N 0.453 123.178 122.820 -0.160 0.000 2.186 544 A HA 0.015 4.335 4.320 -0.000 0.000 0.219 544 A C 1.125 178.375 177.584 -0.556 0.000 1.159 544 A CA 1.015 52.832 52.037 -0.367 0.000 0.680 544 A CB -0.614 18.134 19.000 -0.419 0.000 0.787 544 A HN 0.543 nan 8.150 nan 0.000 0.467 545 F N -1.552 118.417 119.950 0.032 0.000 2.661 545 F HA 0.278 4.805 4.527 -0.000 0.000 0.306 545 F C 0.447 176.247 175.800 -0.000 0.000 1.094 545 F CA -0.585 57.411 58.000 -0.007 0.000 1.254 545 F CB 0.099 39.070 39.000 -0.048 0.000 1.040 545 F HN -0.179 nan 8.300 nan 0.000 0.562 546 V N 1.146 121.132 119.914 0.121 0.000 2.555 546 V HA 0.435 4.555 4.120 -0.000 0.000 0.286 546 V C 1.111 177.238 176.094 0.055 0.000 1.044 546 V CA 0.570 62.921 62.300 0.084 0.000 1.026 546 V CB 0.501 32.359 31.823 0.058 0.000 0.981 546 V HN 0.634 nan 8.190 nan 0.000 0.480 547 G N 4.523 113.348 108.800 0.042 0.000 2.132 547 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.228 547 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.228 547 G C -0.378 174.542 174.900 0.033 0.000 1.000 547 G CA -0.038 45.079 45.100 0.028 0.000 0.693 547 G HN 0.553 nan 8.290 nan 0.000 0.515 548 L N 1.584 122.835 121.223 0.047 0.000 2.362 548 L HA 0.592 4.932 4.340 -0.000 0.000 0.275 548 L C 1.119 178.008 176.870 0.033 0.000 0.998 548 L CA -0.640 54.230 54.840 0.049 0.000 0.820 548 L CB 1.998 44.108 42.059 0.084 0.000 1.270 548 L HN 0.386 nan 8.230 nan 0.000 0.415 549 S N 1.262 116.977 115.700 0.024 0.000 2.563 549 S HA -0.044 4.425 4.470 -0.000 0.000 0.284 549 S C 0.984 175.609 174.600 0.041 0.000 1.331 549 S CA -0.267 57.947 58.200 0.022 0.000 1.047 549 S CB 0.384 63.594 63.200 0.017 0.000 0.859 549 S HN 0.576 nan 8.310 nan 0.000 0.514 550 F N 4.339 124.242 119.950 -0.078 0.000 2.087 550 F HA -0.057 4.470 4.527 -0.000 0.000 0.299 550 F C -0.631 175.147 175.800 -0.037 0.000 1.100 550 F CA 1.860 59.822 58.000 -0.064 0.000 1.226 550 F CB -1.249 37.701 39.000 -0.084 0.000 0.983 550 F HN 0.496 nan 8.300 nan 0.000 0.479 551 P HA -0.223 nan 4.420 nan 0.000 0.214 551 P C 1.700 178.965 177.300 -0.059 0.000 1.163 551 P CA 3.175 66.291 63.100 0.026 0.000 0.889 551 P CB -0.868 30.865 31.700 0.054 0.000 0.790 552 T N -2.156 112.382 114.554 -0.027 0.000 2.759 552 T HA -0.100 4.250 4.350 -0.000 0.000 0.269 552 T C 1.968 176.652 174.700 -0.028 0.000 1.042 552 T CA 1.500 63.596 62.100 -0.007 0.000 1.140 552 T CB -1.503 67.377 68.868 0.021 0.000 0.864 552 T HN -0.080 nan 8.240 nan 0.000 0.455 553 V N 0.197 120.048 119.914 -0.106 0.000 2.788 553 V HA -0.019 4.101 4.120 -0.000 0.000 0.251 553 V C 2.973 178.898 176.094 -0.281 0.000 1.068 553 V CA 0.853 63.050 62.300 -0.172 0.000 1.090 553 V CB -0.525 31.165 31.823 -0.222 0.000 0.710 553 V HN 0.742 nan 8.190 nan 0.000 0.467 554 C N 0.654 119.721 119.300 -0.389 0.000 2.440 554 C HA -0.128 4.332 4.460 -0.000 0.000 0.278 554 C C 2.640 177.667 174.990 0.061 0.000 1.295 554 C CA 1.395 60.220 59.018 -0.321 0.000 1.738 554 C CB -0.779 26.689 27.740 -0.453 0.000 1.987 554 C HN 0.665 nan 8.230 nan 0.000 0.492 555 E N 0.080 120.328 120.200 0.080 0.000 2.047 555 E HA -0.165 4.185 4.350 -0.000 0.000 0.191 555 E C 2.185 178.901 176.600 0.193 0.000 0.987 555 E CA 0.848 57.383 56.400 0.225 0.000 0.799 555 E CB -0.425 29.358 29.700 0.138 0.000 0.752 555 E HN 0.498 nan 8.360 nan 0.000 0.449 556 L N 1.058 122.328 121.223 0.079 0.000 2.129 556 L HA -0.208 4.132 4.340 -0.000 0.000 0.212 556 L C 2.028 178.910 176.870 0.020 0.000 1.087 556 L CA 1.596 56.468 54.840 0.053 0.000 0.757 556 L CB -0.601 41.479 42.059 0.035 0.000 0.896 556 L HN 0.341 nan 8.230 nan 0.000 0.434 557 C N -1.376 117.925 119.300 0.002 0.000 2.492 557 C HA -0.110 4.350 4.460 -0.000 0.000 0.279 557 C C 2.506 177.565 174.990 0.114 0.000 1.335 557 C CA -0.029 58.996 59.018 0.011 0.000 1.734 557 C CB -0.858 26.895 27.740 0.021 0.000 2.027 557 C HN 0.586 nan 8.230 nan 0.000 0.496 558 F N 0.446 120.434 119.950 0.064 0.000 2.748 558 F HA 0.065 4.592 4.527 -0.000 0.000 0.299 558 F C 1.668 177.531 175.800 0.105 0.000 1.154 558 F CA 0.967 59.004 58.000 0.063 0.000 1.446 558 F CB 0.294 39.302 39.000 0.014 0.000 1.112 558 F HN 0.002 nan 8.300 nan 0.000 0.584 559 V N -1.062 118.913 119.914 0.102 0.000 3.307 559 V HA 0.053 4.173 4.120 -0.000 0.000 0.244 559 V C 1.579 177.628 176.094 -0.076 0.000 1.196 559 V CA 0.743 63.039 62.300 -0.007 0.000 1.132 559 V CB 0.298 32.188 31.823 0.112 0.000 0.875 559 V HN 0.067 nan 8.190 nan 0.000 0.468 560 K N -0.377 120.020 120.400 -0.005 0.000 2.391 560 K HA 0.398 4.718 4.320 -0.000 0.000 0.197 560 K C 1.313 177.929 176.600 0.026 0.000 1.087 560 K CA 0.264 56.568 56.287 0.027 0.000 1.012 560 K CB 0.715 33.290 32.500 0.125 0.000 0.925 560 K HN 0.280 nan 8.250 nan 0.000 0.547 561 L N 0.011 121.230 121.223 -0.006 0.000 2.878 561 L HA 0.210 4.549 4.340 -0.000 0.000 0.253 561 L C -0.066 176.763 176.870 -0.068 0.000 1.135 561 L CA -0.303 54.526 54.840 -0.018 0.000 0.943 561 L CB 0.409 42.452 42.059 -0.026 0.000 1.307 561 L HN -0.051 nan 8.230 nan 0.000 0.545 562 K N 1.971 122.303 120.400 -0.113 0.000 3.393 562 K HA -0.171 4.149 4.320 -0.000 0.000 0.272 562 K C -1.460 175.101 176.600 -0.065 0.000 1.004 562 K CA 0.671 56.864 56.287 -0.157 0.000 0.764 562 K CB -1.779 30.640 32.500 -0.135 0.000 1.373 562 K HN 0.335 nan 8.250 nan 0.000 0.458 563 L N 2.162 123.397 121.223 0.020 0.000 2.504 563 L HA 0.353 4.693 4.340 -0.000 0.000 0.265 563 L C -0.136 176.926 176.870 0.320 0.000 0.975 563 L CA -0.886 54.047 54.840 0.154 0.000 0.864 563 L CB 1.558 43.663 42.059 0.077 0.000 1.212 563 L HN 0.273 nan 8.230 nan 0.000 0.416 564 L N 4.454 125.879 121.223 0.338 0.000 2.454 564 L HA 0.274 4.613 4.340 -0.000 0.000 0.284 564 L C 0.296 177.320 176.870 0.256 0.000 1.139 564 L CA 0.052 55.074 54.840 0.304 0.000 0.911 564 L CB 0.670 42.874 42.059 0.242 0.000 1.262 564 L HN 0.693 nan 8.230 nan 0.000 0.453 565 M N 4.434 124.139 119.600 0.175 0.000 2.193 565 M HA 0.068 4.548 4.480 -0.000 0.000 0.342 565 M C 0.494 176.883 176.300 0.148 0.000 1.413 565 M CA 0.113 55.360 55.300 -0.089 0.000 1.191 565 M CB 0.877 33.302 32.600 -0.292 0.000 1.633 565 M HN 0.634 nan 8.290 nan 0.000 0.458 566 I N 4.430 125.048 120.570 0.082 0.000 3.030 566 I HA 0.372 4.542 4.170 -0.000 0.000 0.270 566 I C 0.432 176.571 176.117 0.037 0.000 1.211 566 I CA 0.704 62.054 61.300 0.083 0.000 1.479 566 I CB 0.206 38.186 38.000 -0.033 0.000 1.105 566 I HN 0.816 nan 8.210 nan 0.000 0.447 567 A N -0.325 122.551 122.820 0.094 0.000 2.515 567 A HA 0.678 4.997 4.320 -0.000 0.000 0.292 567 A C -1.414 176.331 177.584 0.267 0.000 1.065 567 A CA -0.455 51.579 52.037 -0.005 0.000 0.641 567 A CB 0.626 19.488 19.000 -0.230 0.000 1.306 567 A HN 0.140 nan 8.150 nan 0.000 0.441 568 I N -2.413 118.291 120.570 0.223 0.000 2.969 568 I HA 0.891 5.061 4.170 -0.000 0.000 0.307 568 I C -0.830 175.490 176.117 0.339 0.000 1.149 568 I CA -0.555 60.932 61.300 0.312 0.000 1.008 568 I CB 2.339 40.504 38.000 0.276 0.000 1.232 568 I HN 0.848 nan 8.210 nan 0.000 0.435 569 E N 3.769 124.160 120.200 0.319 0.000 2.260 569 E HA 0.480 4.829 4.350 -0.000 0.000 0.266 569 E C -2.029 174.712 176.600 0.236 0.000 0.887 569 E CA -0.509 56.040 56.400 0.248 0.000 0.777 569 E CB 1.988 31.857 29.700 0.282 0.000 1.205 569 E HN 0.721 nan 8.360 nan 0.000 0.414 570 Y N 1.495 121.851 120.300 0.094 0.000 2.944 570 Y HA 0.704 5.254 4.550 -0.000 0.000 0.312 570 Y C -1.246 174.710 175.900 0.093 0.000 1.417 570 Y CA -1.377 56.781 58.100 0.097 0.000 1.105 570 Y CB 0.717 39.234 38.460 0.095 0.000 1.364 570 Y HN 0.117 nan 8.280 nan 0.000 0.540 571 K N 1.186 121.729 120.400 0.240 0.000 2.316 571 K HA 0.475 4.794 4.320 -0.000 0.000 0.267 571 K C -0.936 175.770 176.600 0.177 0.000 1.025 571 K CA -0.468 55.886 56.287 0.111 0.000 0.896 571 K CB 1.671 34.256 32.500 0.141 0.000 1.124 571 K HN 0.646 nan 8.250 nan 0.000 0.451 572 S N 2.496 118.196 115.700 0.000 0.000 2.475 572 S HA 0.778 5.247 4.470 -0.000 0.000 0.298 572 S C 0.324 174.975 174.600 0.084 0.000 1.119 572 S CA 0.399 58.661 58.200 0.103 0.000 1.085 572 S CB 0.646 63.840 63.200 -0.011 0.000 1.028 572 S HN 0.857 nan 8.310 nan 0.000 0.489 573 A N 3.601 126.487 122.820 0.111 0.000 5.369 573 A HA -0.216 4.103 4.320 -0.000 0.000 0.298 573 A C -0.080 177.543 177.584 0.066 0.000 2.000 573 A CA 1.094 53.175 52.037 0.075 0.000 0.716 573 A CB -2.168 16.863 19.000 0.052 0.000 1.248 573 A HN 1.570 nan 8.150 nan 0.000 0.365 574 N N 0.979 119.707 118.700 0.046 0.000 2.424 574 N HA 0.507 5.247 4.740 -0.000 0.000 0.271 574 N C 0.076 175.608 175.510 0.037 0.000 0.985 574 N CA 0.085 53.160 53.050 0.041 0.000 0.921 574 N CB 1.232 39.738 38.487 0.030 0.000 1.149 574 N HN 1.497 nan 8.380 nan 0.000 0.492 575 R N -0.379 120.148 120.500 0.044 0.000 3.358 575 R HA -0.287 4.053 4.340 -0.000 0.000 0.248 575 R C -1.402 174.917 176.300 0.032 0.000 0.981 575 R CA 1.321 57.445 56.100 0.040 0.000 0.662 575 R CB -2.816 27.504 30.300 0.033 0.000 1.037 575 R HN 0.792 nan 8.270 nan 0.000 0.460 576 E N -0.040 120.176 120.200 0.027 0.000 2.216 576 E HA 0.397 4.747 4.350 -0.000 0.000 0.260 576 E C -0.783 175.808 176.600 -0.014 0.000 0.880 576 E CA -0.891 55.517 56.400 0.013 0.000 0.765 576 E CB 1.908 31.614 29.700 0.010 0.000 1.174 576 E HN 0.277 nan 8.360 nan 0.000 0.417 577 S N 2.384 118.079 115.700 -0.009 0.000 2.585 577 S HA 0.320 4.790 4.470 -0.000 0.000 0.273 577 S C 0.002 174.533 174.600 -0.115 0.000 1.339 577 S CA -0.348 57.822 58.200 -0.050 0.000 1.028 577 S CB 0.698 63.906 63.200 0.013 0.000 0.906 577 S HN 0.437 nan 8.310 nan 0.000 0.528 578 R N 1.752 122.100 120.500 -0.254 0.000 2.510 578 R HA 0.469 4.809 4.340 -0.000 0.000 0.287 578 R C -1.426 174.723 176.300 -0.253 0.000 1.084 578 R CA -0.391 55.539 56.100 -0.285 0.000 0.934 578 R CB 0.835 30.883 30.300 -0.421 0.000 1.201 578 R HN 0.720 nan 8.270 nan 0.000 0.431 579 I N 5.517 126.018 120.570 -0.117 0.000 2.440 579 I HA 0.370 4.540 4.170 -0.000 0.000 0.294 579 I C -1.234 174.826 176.117 -0.095 0.000 0.995 579 I CA -0.674 60.587 61.300 -0.065 0.000 1.306 579 I CB 0.816 38.764 38.000 -0.086 0.000 1.407 579 I HN 0.604 nan 8.210 nan 0.000 0.501 580 L N 8.384 129.565 121.223 -0.071 0.000 2.441 580 L HA 0.459 4.799 4.340 -0.000 0.000 0.270 580 L C -0.753 175.983 176.870 -0.223 0.000 0.973 580 L CA -0.524 54.247 54.840 -0.114 0.000 0.842 580 L CB 1.959 44.005 42.059 -0.021 0.000 1.239 580 L HN 0.511 nan 8.230 nan 0.000 0.406 581 I N 4.285 124.699 120.570 -0.259 0.000 2.281 581 I HA 0.087 4.257 4.170 -0.000 0.000 0.293 581 I C 0.680 176.584 176.117 -0.356 0.000 1.085 581 I CA -0.042 61.074 61.300 -0.307 0.000 1.257 581 I CB 0.284 38.123 38.000 -0.268 0.000 1.430 581 I HN 0.835 nan 8.210 nan 0.000 0.489 582 N N 5.840 124.199 118.700 -0.569 0.000 2.648 582 N HA -0.099 4.641 4.740 -0.000 0.000 0.265 582 N C -2.478 172.691 175.510 -0.570 0.000 1.100 582 N CA -0.547 52.084 53.050 -0.698 0.000 0.715 582 N CB -0.146 38.195 38.487 -0.243 0.000 0.881 582 N HN 0.261 nan 8.380 nan 0.000 0.548 583 P HA 0.147 nan 4.420 nan 0.000 0.272 583 P C 0.643 177.824 177.300 -0.198 0.000 1.248 583 P CA 0.020 62.899 63.100 -0.368 0.000 0.799 583 P CB 0.399 31.888 31.700 -0.351 0.000 0.997 584 G N -0.389 108.294 108.800 -0.195 0.000 2.642 584 G HA2 0.112 4.071 3.960 -0.000 0.000 0.291 584 G HA3 0.112 4.071 3.960 -0.000 0.000 0.291 584 G C 0.650 175.467 174.900 -0.139 0.000 1.345 584 G CA -0.569 44.510 45.100 -0.035 0.000 1.043 584 G HN 0.381 nan 8.290 nan 0.000 0.528 585 N N -0.279 118.442 118.700 0.036 0.000 2.205 585 N HA -0.169 4.571 4.740 -0.000 0.000 0.186 585 N C 2.028 177.539 175.510 0.003 0.000 1.015 585 N CA 1.598 54.666 53.050 0.031 0.000 0.862 585 N CB -0.169 38.359 38.487 0.069 0.000 0.986 585 N HN 0.680 nan 8.380 nan 0.000 0.429 586 H N 0.028 119.128 119.070 0.049 0.000 2.319 586 H HA -0.081 4.475 4.556 -0.000 0.000 0.299 586 H C 0.759 176.112 175.328 0.042 0.000 1.092 586 H CA 0.519 56.593 56.048 0.043 0.000 1.302 586 H CB -0.917 28.872 29.762 0.045 0.000 1.373 586 H HN 0.176 nan 8.280 nan 0.000 0.497 587 L N 2.921 123.858 121.223 -0.477 0.000 2.369 587 L HA 0.180 4.520 4.340 -0.000 0.000 0.279 587 L C -0.376 176.430 176.870 -0.108 0.000 1.108 587 L CA -0.349 54.354 54.840 -0.228 0.000 0.852 587 L CB 0.580 42.464 42.059 -0.291 0.000 1.169 587 L HN 0.022 nan 8.230 nan 0.000 0.452 588 K N 5.913 126.277 120.400 -0.061 0.000 2.118 588 K HA 0.425 4.745 4.320 -0.000 0.000 0.267 588 K C -0.214 176.343 176.600 -0.072 0.000 0.991 588 K CA -0.563 55.703 56.287 -0.036 0.000 0.916 588 K CB 1.300 33.792 32.500 -0.014 0.000 1.041 588 K HN 0.598 nan 8.250 nan 0.000 0.455 589 I N 2.273 122.828 120.570 -0.026 0.000 2.638 589 I HA -0.009 4.161 4.170 -0.000 0.000 0.286 589 I C 1.093 177.184 176.117 -0.042 0.000 1.088 589 I CA 0.019 61.300 61.300 -0.031 0.000 1.397 589 I CB 0.477 38.503 38.000 0.045 0.000 1.414 589 I HN 0.290 nan 8.210 nan 0.000 0.566 590 Q N 3.826 123.583 119.800 -0.072 0.000 2.527 590 Q HA 0.326 4.666 4.340 -0.000 0.000 0.220 590 Q C -0.588 175.447 176.000 0.058 0.000 1.014 590 Q CA -0.891 54.898 55.803 -0.023 0.000 0.978 590 Q CB 1.313 30.011 28.738 -0.066 0.000 1.245 590 Q HN 0.615 nan 8.270 nan 0.000 0.513 591 E N -1.019 119.227 120.200 0.077 0.000 2.343 591 E HA 0.394 4.744 4.350 -0.000 0.000 0.269 591 E C 0.141 176.831 176.600 0.149 0.000 1.047 591 E CA -0.203 56.258 56.400 0.101 0.000 0.874 591 E CB 0.525 30.270 29.700 0.075 0.000 1.033 591 E HN 0.779 nan 8.360 nan 0.000 0.409 592 G N 2.603 111.510 108.800 0.179 0.000 2.249 592 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.273 592 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.273 592 G C 0.192 175.326 174.900 0.391 0.000 1.036 592 G CA 0.645 45.906 45.100 0.268 0.000 0.824 592 G HN 0.949 nan 8.290 nan 0.000 0.504 593 T N -1.510 113.231 114.554 0.312 0.000 2.727 593 T HA 0.612 4.962 4.350 -0.000 0.000 0.298 593 T C 0.617 175.411 174.700 0.156 0.000 0.942 593 T CA -0.633 61.620 62.100 0.254 0.000 0.997 593 T CB 1.985 70.974 68.868 0.202 0.000 0.917 593 T HN 0.833 nan 8.240 nan 0.000 0.487 594 L N 3.746 124.948 121.223 -0.035 0.000 2.461 594 L HA 0.584 4.923 4.340 -0.000 0.000 0.272 594 L C 0.649 177.387 176.870 -0.220 0.000 1.197 594 L CA 0.094 54.709 54.840 -0.374 0.000 0.836 594 L CB 0.136 41.833 42.059 -0.604 0.000 1.105 594 L HN 0.928 nan 8.230 nan 0.000 0.477 595 G N 3.255 111.920 108.800 -0.224 0.000 2.448 595 G HA2 0.556 4.516 3.960 -0.000 0.000 0.324 595 G HA3 0.556 4.516 3.960 -0.000 0.000 0.324 595 G C -1.532 173.079 174.900 -0.482 0.000 1.203 595 G CA -0.532 44.415 45.100 -0.254 0.000 0.954 595 G HN 0.433 nan 8.290 nan 0.000 0.480 596 F N 0.789 120.512 119.950 -0.379 0.000 2.404 596 F HA 0.587 5.114 4.527 -0.000 0.000 0.354 596 F C -0.374 175.176 175.800 -0.416 0.000 1.122 596 F CA -0.454 57.408 58.000 -0.231 0.000 1.080 596 F CB 1.591 40.511 39.000 -0.133 0.000 1.131 596 F HN 0.191 nan 8.300 nan 0.000 0.471 597 F N 3.468 123.536 119.950 0.196 0.000 2.532 597 F HA 0.533 5.059 4.527 -0.000 0.000 0.321 597 F C 0.076 175.982 175.800 0.177 0.000 1.089 597 F CA -0.917 57.180 58.000 0.162 0.000 0.926 597 F CB 1.744 40.810 39.000 0.110 0.000 1.168 597 F HN 0.200 nan 8.300 nan 0.000 0.459 598 I N 3.098 123.866 120.570 0.332 0.000 2.517 598 I HA 0.395 4.565 4.170 -0.000 0.000 0.289 598 I C 0.192 176.454 176.117 0.241 0.000 1.149 598 I CA -0.094 61.353 61.300 0.245 0.000 1.189 598 I CB -0.225 37.881 38.000 0.178 0.000 1.641 598 I HN 0.653 nan 8.210 nan 0.000 0.560 599 A N 3.109 126.105 122.820 0.293 0.000 2.378 599 A HA 0.861 5.181 4.320 -0.000 0.000 0.293 599 A C 0.186 177.880 177.584 0.185 0.000 1.250 599 A CA -0.355 51.798 52.037 0.192 0.000 0.915 599 A CB 0.887 19.947 19.000 0.101 0.000 1.402 599 A HN 0.490 nan 8.150 nan 0.000 0.502 600 S N -1.657 114.091 115.700 0.080 0.000 2.599 600 S HA 0.600 5.070 4.470 -0.000 0.000 0.287 600 S C -0.225 174.385 174.600 0.016 0.000 1.105 600 S CA 0.177 58.416 58.200 0.065 0.000 0.899 600 S CB 1.795 64.974 63.200 -0.035 0.000 1.100 600 S HN 0.878 nan 8.310 nan 0.000 0.482 601 D N 0.407 120.850 120.400 0.072 0.000 2.758 601 D HA -0.345 4.295 4.640 -0.000 0.000 0.191 601 D C 1.167 177.407 176.300 -0.101 0.000 1.036 601 D CA 2.668 56.685 54.000 0.029 0.000 1.030 601 D CB -1.366 39.424 40.800 -0.017 0.000 1.109 601 D HN 1.806 nan 8.370 nan 0.000 0.430 602 A N -1.250 121.385 122.820 -0.309 0.000 4.109 602 A HA -0.428 3.892 4.320 -0.000 0.000 0.250 602 A C 1.666 178.942 177.584 -0.512 0.000 0.772 602 A CA 2.450 53.974 52.037 -0.854 0.000 1.320 602 A CB -1.919 16.642 19.000 -0.733 0.000 1.076 602 A HN 0.480 nan 8.150 nan 0.000 0.723 603 K N -0.214 120.027 120.400 -0.266 0.000 2.002 603 K HA -0.170 4.150 4.320 -0.000 0.000 0.209 603 K C 1.806 178.295 176.600 -0.186 0.000 1.048 603 K CA 1.514 57.697 56.287 -0.175 0.000 0.930 603 K CB -0.306 32.139 32.500 -0.092 0.000 0.714 603 K HN 0.832 nan 8.250 nan 0.000 0.438 604 E N 0.919 121.010 120.200 -0.181 0.000 2.187 604 E HA -0.212 4.138 4.350 -0.000 0.000 0.199 604 E C 2.080 178.525 176.600 -0.258 0.000 1.004 604 E CA 1.147 57.446 56.400 -0.169 0.000 0.813 604 E CB -0.690 28.930 29.700 -0.135 0.000 0.736 604 E HN 0.124 nan 8.360 nan 0.000 0.468 605 V N 1.578 121.288 119.914 -0.340 0.000 2.490 605 V HA -0.180 3.939 4.120 -0.000 0.000 0.250 605 V C 2.158 177.972 176.094 -0.467 0.000 1.061 605 V CA 1.548 63.560 62.300 -0.480 0.000 1.064 605 V CB -0.284 31.285 31.823 -0.423 0.000 0.670 605 V HN 0.074 nan 8.190 nan 0.000 0.461 606 K N 0.081 120.273 120.400 -0.347 0.000 2.209 606 K HA -0.131 4.189 4.320 -0.000 0.000 0.204 606 K C 2.158 178.378 176.600 -0.633 0.000 1.048 606 K CA 1.195 57.267 56.287 -0.357 0.000 0.940 606 K CB -0.377 32.021 32.500 -0.171 0.000 0.729 606 K HN 0.527 nan 8.250 nan 0.000 0.451 607 R N 0.128 120.346 120.500 -0.470 0.000 2.096 607 R HA -0.138 4.202 4.340 -0.000 0.000 0.240 607 R C 2.150 178.242 176.300 -0.347 0.000 1.139 607 R CA 1.572 57.430 56.100 -0.403 0.000 0.952 607 R CB -0.471 29.745 30.300 -0.141 0.000 0.854 607 R HN 0.125 nan 8.270 nan 0.000 0.436 608 A N 0.029 122.649 122.820 -0.335 0.000 2.225 608 A HA -0.143 4.177 4.320 -0.000 0.000 0.215 608 A C 1.732 179.292 177.584 -0.040 0.000 1.164 608 A CA 0.751 52.652 52.037 -0.227 0.000 0.710 608 A CB -0.477 18.264 19.000 -0.430 0.000 0.780 608 A HN 0.375 nan 8.150 nan 0.000 0.473 609 F N 0.033 119.784 119.950 -0.332 0.000 2.317 609 F HA 0.221 4.748 4.527 -0.000 0.000 0.293 609 F C 0.139 175.935 175.800 -0.008 0.000 1.085 609 F CA -0.040 57.863 58.000 -0.161 0.000 1.390 609 F CB 0.197 39.076 39.000 -0.202 0.000 1.077 609 F HN 0.213 nan 8.300 nan 0.000 0.517 610 F N -0.002 120.058 119.950 0.183 0.000 2.513 610 F HA 0.460 4.987 4.527 -0.000 0.000 0.358 610 F C -1.019 174.882 175.800 0.168 0.000 1.118 610 F CA -1.751 56.295 58.000 0.077 0.000 1.037 610 F CB -0.530 38.523 39.000 0.087 0.000 1.276 610 F HN -0.106 nan 8.300 nan 0.000 0.446 611 Y N 2.650 123.031 120.300 0.136 0.000 2.675 611 Y HA 0.699 5.249 4.550 -0.000 0.000 0.328 611 Y C 0.622 176.497 175.900 -0.042 0.000 1.092 611 Y CA -1.301 56.844 58.100 0.075 0.000 1.190 611 Y CB 1.458 39.951 38.460 0.055 0.000 1.350 611 Y HN 1.172 nan 8.280 nan 0.000 0.525 612 C N 1.869 120.412 119.300 -1.262 0.000 0.168 612 C HA -0.173 4.286 4.460 -0.000 0.000 0.017 612 C C 0.358 175.078 174.990 -0.450 0.000 0.171 612 C CA -0.510 58.011 59.018 -0.829 0.000 0.499 612 C CB -0.520 26.980 27.740 -0.399 0.000 3.212 612 C HN 0.912 nan 8.230 nan 0.000 1.118 613 K N 1.436 121.649 120.400 -0.310 0.000 2.627 613 K HA 0.330 4.650 4.320 -0.000 0.000 0.212 613 K C 0.645 177.142 176.600 -0.171 0.000 1.041 613 K CA 0.842 57.011 56.287 -0.197 0.000 1.205 613 K CB -0.534 31.879 32.500 -0.146 0.000 0.936 613 K HN 0.856 nan 8.250 nan 0.000 0.489 614 A N 1.139 123.838 122.820 -0.201 0.000 2.511 614 A HA 0.139 4.458 4.320 -0.000 0.000 0.242 614 A C 0.983 178.418 177.584 -0.249 0.000 1.069 614 A CA -0.476 51.430 52.037 -0.218 0.000 0.763 614 A CB -0.177 18.682 19.000 -0.235 0.000 1.001 614 A HN 0.582 nan 8.150 nan 0.000 0.498 615 C N 2.173 121.302 119.300 -0.284 0.000 2.478 615 C HA 0.867 5.327 4.460 -0.000 0.000 0.379 615 C C 0.544 175.209 174.990 -0.541 0.000 1.470 615 C CA 0.138 58.996 59.018 -0.267 0.000 2.066 615 C CB -0.208 27.474 27.740 -0.095 0.000 2.001 615 C HN 1.808 nan 8.230 nan 0.000 0.550 660 P HA 0.266 nan 4.420 nan 0.000 0.265 660 P C -0.704 176.503 177.300 -0.155 0.000 1.187 660 P CA -0.053 62.843 63.100 -0.339 0.000 0.766 660 P CB 0.352 31.870 31.700 -0.304 0.000 0.820 661 K N 2.344 122.678 120.400 -0.110 0.000 2.592 661 K HA 0.587 4.907 4.320 -0.000 0.000 0.212 661 K C -0.808 175.880 176.600 0.148 0.000 1.013 661 K CA -0.183 56.124 56.287 0.033 0.000 1.034 661 K CB 0.438 32.956 32.500 0.031 0.000 1.292 661 K HN 0.343 nan 8.250 nan 0.000 0.521 662 L N 1.511 122.814 121.223 0.134 0.000 2.775 662 L HA 0.533 4.873 4.340 -0.000 0.000 0.263 662 L C -1.757 175.151 176.870 0.063 0.000 1.017 662 L CA -0.879 54.034 54.840 0.122 0.000 0.891 662 L CB 2.367 44.542 42.059 0.194 0.000 1.482 662 L HN 0.474 nan 8.230 nan 0.000 0.410 663 M N 2.687 122.295 119.600 0.012 0.000 2.321 663 M HA 0.594 5.073 4.480 -0.000 0.000 0.315 663 M C -1.429 174.847 176.300 -0.040 0.000 1.052 663 M CA -0.376 54.916 55.300 -0.013 0.000 0.936 663 M CB 1.590 34.161 32.600 -0.049 0.000 1.639 663 M HN 0.359 nan 8.290 nan 0.000 0.433 664 R N 4.123 124.603 120.500 -0.033 0.000 2.502 664 R HA 0.319 4.659 4.340 -0.000 0.000 0.298 664 R C -1.527 174.746 176.300 -0.044 0.000 1.018 664 R CA -0.440 55.606 56.100 -0.090 0.000 0.899 664 R CB 0.710 30.935 30.300 -0.125 0.000 1.181 664 R HN 0.986 nan 8.270 nan 0.000 0.444 665 H N 1.575 120.625 119.070 -0.035 0.000 2.803 665 H HA 0.443 4.999 4.556 -0.000 0.000 0.330 665 H C -0.864 174.450 175.328 -0.023 0.000 1.057 665 H CA -0.236 55.800 56.048 -0.020 0.000 1.458 665 H CB 1.012 30.770 29.762 -0.006 0.000 1.470 665 H HN 0.715 nan 8.280 nan 0.000 0.560 685 K N -0.162 120.219 120.400 -0.032 0.000 2.352 685 K HA 0.201 4.520 4.320 -0.000 0.000 0.194 685 K C 0.116 176.754 176.600 0.062 0.000 1.038 685 K CA 0.664 56.905 56.287 -0.077 0.000 1.023 685 K CB 0.451 32.733 32.500 -0.364 0.000 0.840 685 K HN 0.090 nan 8.250 nan 0.000 0.519 686 Y N 0.476 120.932 120.300 0.259 0.000 2.753 686 Y HA 0.189 4.739 4.550 -0.000 0.000 0.324 686 Y C 0.351 176.338 175.900 0.144 0.000 1.147 686 Y CA -2.527 55.691 58.100 0.197 0.000 1.173 686 Y CB 0.171 38.668 38.460 0.062 0.000 1.361 686 Y HN -0.053 nan 8.280 nan 0.000 0.545 687 D N -1.205 119.357 120.400 0.271 0.000 2.549 687 D HA 0.154 4.793 4.640 -0.000 0.000 0.270 687 D C 0.862 177.139 176.300 -0.037 0.000 1.181 687 D CA 0.195 54.195 54.000 -0.000 0.000 1.070 687 D CB 1.604 42.476 40.800 0.119 0.000 1.154 687 D HN 0.536 nan 8.370 nan 0.000 0.602 688 S N -0.177 115.454 115.700 -0.114 0.000 2.369 688 S HA -0.290 4.180 4.470 -0.000 0.000 0.225 688 S C 1.974 176.572 174.600 -0.003 0.000 1.043 688 S CA 2.373 60.534 58.200 -0.065 0.000 1.074 688 S CB -1.450 61.709 63.200 -0.069 0.000 0.962 688 S HN 0.730 nan 8.310 nan 0.000 0.433 689 T N 0.602 115.163 114.554 0.012 0.000 3.007 689 T HA 0.234 4.583 4.350 -0.000 0.000 0.270 689 T C 1.258 175.931 174.700 -0.046 0.000 1.107 689 T CA 1.397 63.496 62.100 -0.000 0.000 1.118 689 T CB -1.340 67.535 68.868 0.011 0.000 0.889 689 T HN 1.438 nan 8.240 nan 0.000 0.506 690 G N 1.211 109.988 108.800 -0.038 0.000 2.225 690 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.264 690 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.264 690 G C 0.543 175.250 174.900 -0.322 0.000 1.060 690 G CA 0.503 45.542 45.100 -0.103 0.000 0.833 690 G HN 0.496 nan 8.290 nan 0.000 0.498 691 M N -1.668 117.707 119.600 -0.374 0.000 2.292 691 M HA 0.416 4.896 4.480 -0.000 0.000 0.286 691 M C 0.183 175.844 176.300 -1.065 0.000 1.002 691 M CA 0.654 55.496 55.300 -0.764 0.000 1.029 691 M CB 0.205 32.266 32.600 -0.900 0.000 1.537 691 M HN 0.238 nan 8.290 nan 0.000 0.543 692 F N -1.066 118.832 119.950 -0.087 0.000 2.626 692 F HA 0.397 4.924 4.527 -0.000 0.000 0.311 692 F C 0.296 176.155 175.800 0.098 0.000 1.088 692 F CA -1.174 56.837 58.000 0.018 0.000 0.949 692 F CB 0.912 40.023 39.000 0.186 0.000 1.322 692 F HN -0.069 nan 8.300 nan 0.000 0.461 693 H N 0.855 120.213 119.070 0.481 0.000 2.878 693 H HA 0.028 4.583 4.556 -0.000 0.000 0.290 693 H C -1.060 174.523 175.328 0.425 0.000 1.065 693 H CA -0.124 56.203 56.048 0.464 0.000 1.477 693 H CB 0.733 30.694 29.762 0.331 0.000 1.484 693 H HN 0.674 nan 8.280 nan 0.000 0.504 694 W N 4.344 125.836 121.300 0.320 0.000 2.719 694 W HA 0.464 5.124 4.660 -0.000 0.000 0.352 694 W C -0.786 175.799 176.519 0.110 0.000 1.085 694 W CA -0.413 57.001 57.345 0.115 0.000 1.187 694 W CB 1.156 30.645 29.460 0.048 0.000 1.417 694 W HN 0.736 nan 8.180 nan 0.000 0.557 695 C N 2.561 121.330 119.300 -0.885 0.000 3.303 695 C HA 0.816 5.276 4.460 -0.000 0.000 0.340 695 C C 0.187 174.350 174.990 -1.379 0.000 1.274 695 C CA -1.001 57.570 59.018 -0.744 0.000 1.234 695 C CB 0.309 27.901 27.740 -0.246 0.000 1.532 695 C HN 1.237 nan 8.230 nan 0.000 0.483 696 A N 1.971 124.333 122.820 -0.765 0.000 2.587 696 A HA 0.478 4.798 4.320 -0.000 0.000 0.235 696 A C -2.274 174.995 177.584 -0.524 0.000 1.044 696 A CA 0.064 51.772 52.037 -0.548 0.000 0.754 696 A CB -0.858 18.025 19.000 -0.195 0.000 0.968 696 A HN 0.782 nan 8.150 nan 0.000 0.509 697 P HA 0.099 nan 4.420 nan 0.000 0.262 697 P C -0.508 176.639 177.300 -0.254 0.000 1.199 697 P CA 0.492 63.244 63.100 -0.580 0.000 0.763 697 P CB 0.321 31.638 31.700 -0.638 0.000 0.790 698 K N 2.385 122.745 120.400 -0.066 0.000 2.143 698 K HA 0.277 4.596 4.320 -0.000 0.000 0.272 698 K C 0.224 177.008 176.600 0.306 0.000 1.001 698 K CA -0.770 55.605 56.287 0.146 0.000 0.915 698 K CB 0.880 33.531 32.500 0.252 0.000 1.047 698 K HN 0.325 nan 8.250 nan 0.000 0.458 699 E N 1.781 122.085 120.200 0.174 0.000 2.392 699 E HA -0.056 4.294 4.350 -0.000 0.000 0.264 699 E C 0.653 177.282 176.600 0.047 0.000 1.024 699 E CA -0.010 56.475 56.400 0.143 0.000 0.903 699 E CB 0.591 30.324 29.700 0.055 0.000 0.963 699 E HN 0.516 nan 8.360 nan 0.000 0.432 700 I N 3.565 124.077 120.570 -0.097 0.000 2.335 700 I HA -0.230 3.940 4.170 -0.000 0.000 0.251 700 I C 1.215 177.119 176.117 -0.355 0.000 1.129 700 I CA 1.594 62.564 61.300 -0.551 0.000 1.402 700 I CB -0.018 37.653 38.000 -0.550 0.000 1.069 700 I HN 0.642 nan 8.210 nan 0.000 0.424 701 E N 0.424 120.522 120.200 -0.171 0.000 2.268 701 E HA -0.136 4.214 4.350 -0.000 0.000 0.195 701 E C 1.723 178.268 176.600 -0.092 0.000 0.995 701 E CA 0.759 57.089 56.400 -0.117 0.000 0.836 701 E CB -0.178 29.482 29.700 -0.065 0.000 0.763 701 E HN 0.433 nan 8.360 nan 0.000 0.491 702 K N -0.150 120.207 120.400 -0.072 0.000 2.551 702 K HA 0.050 4.370 4.320 -0.000 0.000 0.192 702 K C 0.602 177.182 176.600 -0.033 0.000 1.027 702 K CA 0.196 56.466 56.287 -0.028 0.000 1.059 702 K CB 0.552 33.063 32.500 0.018 0.000 0.831 702 K HN 0.016 nan 8.250 nan 0.000 0.508 703 V N 0.158 120.008 119.914 -0.107 0.000 3.305 703 V HA 0.096 4.215 4.120 -0.000 0.000 0.247 703 V C 0.614 176.650 176.094 -0.097 0.000 1.426 703 V CA -0.269 61.971 62.300 -0.100 0.000 1.162 703 V CB 0.545 32.230 31.823 -0.230 0.000 0.961 703 V HN 0.159 nan 8.190 nan 0.000 0.449 704 I N 3.462 123.949 120.570 -0.139 0.000 2.752 704 I HA -0.032 4.137 4.170 -0.000 0.000 0.286 704 I C -0.251 175.836 176.117 -0.051 0.000 1.180 704 I CA 0.393 61.633 61.300 -0.099 0.000 1.404 704 I CB 0.076 38.011 38.000 -0.108 0.000 1.389 704 I HN 0.118 nan 8.210 nan 0.000 0.549 705 L N 6.218 127.423 121.223 -0.029 0.000 2.431 705 L HA 0.463 4.803 4.340 -0.000 0.000 0.260 705 L C 0.686 177.545 176.870 -0.020 0.000 1.098 705 L CA -0.251 54.579 54.840 -0.016 0.000 0.800 705 L CB 1.041 43.100 42.059 -0.000 0.000 1.210 705 L HN 0.600 nan 8.230 nan 0.000 0.465 706 T N -2.571 111.973 114.554 -0.017 0.000 2.949 706 T HA 0.416 4.766 4.350 -0.000 0.000 0.287 706 T C 1.014 175.706 174.700 -0.013 0.000 1.034 706 T CA -0.702 61.389 62.100 -0.016 0.000 1.018 706 T CB 1.825 70.683 68.868 -0.016 0.000 1.135 706 T HN 0.575 nan 8.240 nan 0.000 0.532 707 R N 0.538 121.031 120.500 -0.013 0.000 2.105 707 R HA -0.098 4.242 4.340 -0.000 0.000 0.239 707 R C 2.269 178.561 176.300 -0.013 0.000 1.135 707 R CA 2.122 58.215 56.100 -0.012 0.000 0.967 707 R CB -0.758 29.536 30.300 -0.011 0.000 0.861 707 R HN 0.702 nan 8.270 nan 0.000 0.442 708 S N 0.429 116.121 115.700 -0.013 0.000 2.355 708 S HA -0.113 4.357 4.470 -0.000 0.000 0.222 708 S C 1.594 176.184 174.600 -0.016 0.000 1.031 708 S CA 1.400 59.592 58.200 -0.014 0.000 0.993 708 S CB -0.177 63.016 63.200 -0.013 0.000 0.859 708 S HN 0.461 nan 8.310 nan 0.000 0.453 709 E N 1.448 121.638 120.200 -0.015 0.000 2.110 709 E HA -0.066 4.283 4.350 -0.000 0.000 0.193 709 E C 2.277 178.866 176.600 -0.017 0.000 0.988 709 E CA 0.978 57.368 56.400 -0.016 0.000 0.804 709 E CB -0.234 29.457 29.700 -0.015 0.000 0.745 709 E HN 0.525 nan 8.360 nan 0.000 0.458 710 A N 1.296 124.107 122.820 -0.015 0.000 1.968 710 A HA 0.040 4.360 4.320 -0.000 0.000 0.217 710 A C 2.325 179.894 177.584 -0.024 0.000 1.169 710 A CA 1.268 53.296 52.037 -0.014 0.000 0.638 710 A CB -0.300 18.696 19.000 -0.007 0.000 0.812 710 A HN 0.265 nan 8.150 nan 0.000 0.446 711 A N -0.812 121.994 122.820 -0.024 0.000 1.968 711 A HA -0.010 4.310 4.320 -0.000 0.000 0.217 711 A C 2.107 179.672 177.584 -0.032 0.000 1.169 711 A CA 1.598 53.617 52.037 -0.029 0.000 0.638 711 A CB -0.389 18.597 19.000 -0.023 0.000 0.812 711 A HN 0.417 nan 8.150 nan 0.000 0.446 712 M N 0.037 119.621 119.600 -0.028 0.000 2.156 712 M HA -0.005 4.475 4.480 -0.000 0.000 0.264 712 M C 0.361 176.639 176.300 -0.036 0.000 1.067 712 M CA 1.002 56.285 55.300 -0.029 0.000 1.131 712 M CB -1.560 31.025 32.600 -0.024 0.000 1.368 712 M HN 0.181 nan 8.290 nan 0.000 0.416 713 T N 1.929 116.460 114.554 -0.039 0.000 2.743 713 T HA 0.356 4.705 4.350 -0.000 0.000 0.293 713 T C -0.292 174.367 174.700 -0.068 0.000 0.945 713 T CA -0.348 61.721 62.100 -0.051 0.000 1.030 713 T CB 1.887 70.727 68.868 -0.048 0.000 0.912 713 T HN 0.072 nan 8.240 nan 0.000 0.483 714 V N 6.827 126.693 119.914 -0.080 0.000 2.383 714 V HA 0.639 4.759 4.120 -0.000 0.000 0.275 714 V C -1.071 174.935 176.094 -0.146 0.000 1.036 714 V CA -0.794 61.443 62.300 -0.104 0.000 0.889 714 V CB 0.034 31.805 31.823 -0.086 0.000 0.985 714 V HN 0.662 nan 8.190 nan 0.000 0.459 715 L N 5.157 126.244 121.223 -0.227 0.000 2.354 715 L HA 0.998 5.338 4.340 -0.000 0.000 0.269 715 L C -0.045 176.541 176.870 -0.473 0.000 1.005 715 L CA -0.685 53.950 54.840 -0.341 0.000 0.819 715 L CB 1.432 43.254 42.059 -0.394 0.000 1.311 715 L HN 0.741 nan 8.230 nan 0.000 0.423 716 S N -1.351 114.154 115.700 -0.325 0.000 2.588 716 S HA 0.782 5.251 4.470 -0.000 0.000 0.275 716 S C 0.454 175.060 174.600 0.011 0.000 1.130 716 S CA -0.219 57.893 58.200 -0.148 0.000 0.855 716 S CB 1.356 64.519 63.200 -0.062 0.000 1.116 716 S HN 2.151 nan 8.310 nan 0.000 0.472 717 G N 1.456 110.350 108.800 0.156 0.000 2.179 717 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.257 717 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.257 717 G C 0.058 175.067 174.900 0.181 0.000 1.010 717 G CA 0.785 45.965 45.100 0.133 0.000 0.736 717 G HN 1.575 nan 8.290 nan 0.000 0.513 718 H N -1.647 117.410 119.070 -0.022 0.000 2.523 718 H HA 0.729 5.285 4.556 -0.000 0.000 0.345 718 H C -0.199 175.080 175.328 -0.081 0.000 1.261 718 H CA -1.258 54.768 56.048 -0.037 0.000 1.343 718 H CB 0.963 30.722 29.762 -0.005 0.000 1.650 718 H HN 0.233 nan 8.280 nan 0.000 0.591 719 V N 1.987 121.791 119.914 -0.184 0.000 2.311 719 V HA 0.146 4.266 4.120 -0.000 0.000 0.275 719 V C -0.013 175.863 176.094 -0.364 0.000 1.022 719 V CA -0.833 61.299 62.300 -0.280 0.000 0.830 719 V CB 1.049 32.730 31.823 -0.237 0.000 1.012 719 V HN 0.524 nan 8.190 nan 0.000 0.452 720 V N 6.354 126.038 119.914 -0.383 0.000 2.353 720 V HA 0.219 4.338 4.120 -0.000 0.000 0.264 720 V C 0.249 176.224 176.094 -0.198 0.000 1.049 720 V CA -0.362 61.755 62.300 -0.304 0.000 0.896 720 V CB 1.518 33.173 31.823 -0.280 0.000 1.025 720 V HN 0.602 nan 8.190 nan 0.000 0.475 721 V N 5.389 125.181 119.914 -0.204 0.000 2.322 721 V HA 0.105 4.224 4.120 -0.000 0.000 0.258 721 V C 0.368 176.484 176.094 0.036 0.000 1.074 721 V CA -0.418 61.854 62.300 -0.048 0.000 0.909 721 V CB 0.351 32.202 31.823 0.046 0.000 1.090 721 V HN 1.008 nan 8.190 nan 0.000 0.486 722 c N 6.554 125.156 118.600 0.003 0.000 2.383 722 c HA 0.522 5.092 4.570 -0.000 0.000 0.350 722 c C 0.454 174.529 174.090 -0.026 0.000 1.173 722 c CA -1.061 55.244 56.329 -0.040 0.000 1.645 722 c CB -1.541 40.937 42.510 -0.054 0.000 2.221 722 c HN 0.640 nan 8.230 nan 0.000 0.528 723 I N 2.323 122.866 120.570 -0.045 0.000 2.412 723 I HA 0.359 4.529 4.170 -0.000 0.000 0.296 723 I C -0.539 175.463 176.117 -0.192 0.000 0.987 723 I CA -0.420 60.869 61.300 -0.018 0.000 1.180 723 I CB 1.466 39.502 38.000 0.060 0.000 1.340 723 I HN 0.498 nan 8.210 nan 0.000 0.455 724 F N 4.585 124.485 119.950 -0.084 0.000 2.329 724 F HA 0.384 4.911 4.527 -0.000 0.000 0.362 724 F C 0.960 176.619 175.800 -0.235 0.000 1.113 724 F CA -0.356 57.577 58.000 -0.111 0.000 1.212 724 F CB 0.717 39.671 39.000 -0.077 0.000 1.509 724 F HN 0.380 nan 8.300 nan 0.000 0.546 725 G N 0.915 109.613 108.800 -0.170 0.000 2.537 725 G HA2 0.492 4.452 3.960 -0.000 0.000 0.297 725 G HA3 0.492 4.452 3.960 -0.000 0.000 0.297 725 G C -1.604 173.212 174.900 -0.140 0.000 1.310 725 G CA -0.283 44.568 45.100 -0.414 0.000 1.027 725 G HN 0.418 nan 8.290 nan 0.000 0.505 726 D N -2.692 117.679 120.400 -0.048 0.000 2.745 726 D HA 0.087 4.727 4.640 -0.000 0.000 0.221 726 D C 0.760 177.159 176.300 0.164 0.000 1.237 726 D CA -0.284 53.756 54.000 0.067 0.000 0.781 726 D CB 1.562 42.384 40.800 0.036 0.000 1.575 726 D HN 0.408 nan 8.370 nan 0.000 0.482 727 V N 2.611 122.596 119.914 0.118 0.000 2.317 727 V HA -0.081 4.039 4.120 -0.000 0.000 0.251 727 V C 0.722 176.881 176.094 0.107 0.000 1.065 727 V CA 2.731 65.095 62.300 0.106 0.000 1.049 727 V CB -0.282 31.579 31.823 0.063 0.000 0.651 727 V HN 0.663 nan 8.190 nan 0.000 0.450 728 S N 0.081 115.838 115.700 0.095 0.000 2.532 728 S HA 0.691 5.161 4.470 -0.000 0.000 0.256 728 S C -0.446 174.212 174.600 0.097 0.000 1.298 728 S CA 0.073 58.324 58.200 0.086 0.000 1.166 728 S CB 1.130 64.364 63.200 0.057 0.000 1.022 728 S HN 0.574 nan 8.310 nan 0.000 0.480 729 S N 1.910 117.695 115.700 0.142 0.000 2.537 729 S HA 0.691 5.161 4.470 -0.000 0.000 0.271 729 S C -0.346 174.362 174.600 0.180 0.000 1.148 729 S CA -0.448 57.832 58.200 0.134 0.000 0.868 729 S CB 1.355 64.614 63.200 0.099 0.000 1.115 729 S HN 1.426 nan 8.310 nan 0.000 0.461 730 A N 4.095 126.993 122.820 0.129 0.000 2.561 730 A HA 0.271 4.591 4.320 -0.000 0.000 0.251 730 A C 0.257 177.973 177.584 0.221 0.000 1.062 730 A CA 0.293 52.412 52.037 0.137 0.000 0.761 730 A CB -0.679 18.381 19.000 0.099 0.000 0.986 730 A HN 0.846 nan 8.150 nan 0.000 0.510 731 L N 4.372 125.723 121.223 0.213 0.000 2.500 731 L HA -0.008 4.332 4.340 -0.000 0.000 0.272 731 L C 1.361 178.352 176.870 0.202 0.000 1.149 731 L CA -0.175 54.808 54.840 0.237 0.000 0.897 731 L CB 0.165 42.276 42.059 0.085 0.000 1.178 731 L HN 0.759 nan 8.230 nan 0.000 0.473 732 I N 2.904 123.631 120.570 0.262 0.000 2.151 732 I HA -0.209 3.961 4.170 -0.000 0.000 0.243 732 I C 1.373 177.559 176.117 0.115 0.000 1.080 732 I CA 1.396 62.795 61.300 0.164 0.000 1.339 732 I CB -0.396 37.701 38.000 0.161 0.000 1.039 732 I HN 0.990 nan 8.210 nan 0.000 0.409 733 G N 0.565 109.422 108.800 0.096 0.000 2.683 733 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.234 733 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.234 733 G C 0.368 175.280 174.900 0.019 0.000 1.135 733 G CA -0.290 44.849 45.100 0.064 0.000 0.975 733 G HN 0.264 nan 8.290 nan 0.000 0.511 734 L N -0.172 121.040 121.223 -0.018 0.000 2.265 734 L HA -0.045 4.295 4.340 -0.000 0.000 0.215 734 L C 2.948 179.769 176.870 -0.081 0.000 1.117 734 L CA 1.576 56.386 54.840 -0.049 0.000 0.782 734 L CB -0.255 41.715 42.059 -0.147 0.000 0.914 734 L HN 0.606 nan 8.230 nan 0.000 0.441 735 R N 0.923 121.378 120.500 -0.076 0.000 2.153 735 R HA -0.244 4.095 4.340 -0.000 0.000 0.252 735 R C 1.637 177.824 176.300 -0.189 0.000 1.158 735 R CA 2.175 58.218 56.100 -0.094 0.000 0.975 735 R CB -0.309 29.984 30.300 -0.011 0.000 0.871 735 R HN 0.455 nan 8.270 nan 0.000 0.450 736 N N 0.450 119.066 118.700 -0.139 0.000 2.494 736 N HA -0.102 4.637 4.740 -0.000 0.000 0.182 736 N C 1.485 176.904 175.510 -0.151 0.000 1.076 736 N CA 0.654 53.606 53.050 -0.165 0.000 0.908 736 N CB 0.015 38.445 38.487 -0.095 0.000 0.967 736 N HN 0.273 nan 8.380 nan 0.000 0.449 737 L N 0.255 121.401 121.223 -0.129 0.000 2.145 737 L HA 0.113 4.453 4.340 -0.000 0.000 0.201 737 L C 1.836 178.595 176.870 -0.185 0.000 1.075 737 L CA 1.108 55.884 54.840 -0.107 0.000 0.773 737 L CB -0.483 41.568 42.059 -0.015 0.000 0.936 737 L HN -0.201 nan 8.230 nan 0.000 0.451 738 V N -0.285 119.464 119.914 -0.275 0.000 2.346 738 V HA -0.220 3.900 4.120 -0.000 0.000 0.244 738 V C 2.621 178.316 176.094 -0.664 0.000 1.037 738 V CA 1.829 63.857 62.300 -0.454 0.000 1.029 738 V CB -0.631 30.851 31.823 -0.568 0.000 0.663 738 V HN 0.553 nan 8.190 nan 0.000 0.454 739 M N 0.607 119.704 119.600 -0.837 0.000 2.116 739 M HA -0.200 4.279 4.480 -0.000 0.000 0.255 739 M C -0.384 175.678 176.300 -0.397 0.000 1.075 739 M CA 2.635 57.474 55.300 -0.770 0.000 1.087 739 M CB -1.069 31.151 32.600 -0.633 0.000 1.340 739 M HN 0.241 nan 8.290 nan 0.000 0.402 740 P HA -0.157 nan 4.420 nan 0.000 0.213 740 P C 1.604 178.883 177.300 -0.035 0.000 1.170 740 P CA 1.063 64.144 63.100 -0.032 0.000 0.893 740 P CB -0.284 31.374 31.700 -0.071 0.000 0.784 741 L N -0.956 120.168 121.223 -0.165 0.000 2.137 741 L HA -0.198 4.142 4.340 -0.000 0.000 0.213 741 L C 2.333 179.061 176.870 -0.236 0.000 1.085 741 L CA 1.930 56.625 54.840 -0.241 0.000 0.760 741 L CB -1.223 40.683 42.059 -0.256 0.000 0.893 741 L HN 0.034 nan 8.230 nan 0.000 0.434 742 R N -0.684 119.758 120.500 -0.097 0.000 2.062 742 R HA 0.125 4.465 4.340 -0.000 0.000 0.226 742 R C 1.320 177.816 176.300 0.326 0.000 1.125 742 R CA 0.825 56.995 56.100 0.117 0.000 0.966 742 R CB -0.711 29.748 30.300 0.266 0.000 0.861 742 R HN 0.298 nan 8.270 nan 0.000 0.433 743 A N -0.266 122.820 122.820 0.443 0.000 5.778 743 A HA -0.322 3.997 4.320 -0.000 0.000 0.313 743 A C 1.140 178.805 177.584 0.135 0.000 1.849 743 A CA 2.272 54.566 52.037 0.429 0.000 0.746 743 A CB -1.646 17.643 19.000 0.481 0.000 1.308 743 A HN 0.419 nan 8.150 nan 0.000 0.397 744 S N -2.455 113.173 115.700 -0.121 0.000 2.364 744 S HA 0.027 4.497 4.470 -0.000 0.000 0.274 744 S C 1.071 175.351 174.600 -0.533 0.000 1.016 744 S CA 0.841 58.739 58.200 -0.503 0.000 1.332 744 S CB -0.457 62.332 63.200 -0.684 0.000 1.056 744 S HN 0.914 nan 8.310 nan 0.000 0.525 745 N N 1.016 119.421 118.700 -0.491 0.000 2.520 745 N HA 0.026 4.766 4.740 -0.000 0.000 0.185 745 N C -0.196 175.032 175.510 -0.471 0.000 1.068 745 N CA 0.599 53.265 53.050 -0.641 0.000 0.911 745 N CB -0.207 37.965 38.487 -0.526 0.000 0.961 745 N HN 0.368 nan 8.380 nan 0.000 0.446 746 F N 1.527 121.382 119.950 -0.159 0.000 2.384 746 F HA 0.211 4.738 4.527 -0.000 0.000 0.338 746 F C 1.492 177.313 175.800 0.036 0.000 1.103 746 F CA -0.733 57.223 58.000 -0.074 0.000 1.157 746 F CB 0.629 39.641 39.000 0.020 0.000 1.167 746 F HN -0.093 nan 8.300 nan 0.000 0.529 747 H N 1.490 120.728 119.070 0.279 0.000 2.660 747 H HA -0.038 4.518 4.556 -0.000 0.000 0.374 747 H C 0.740 176.108 175.328 0.066 0.000 1.291 747 H CA -0.052 56.080 56.048 0.140 0.000 1.437 747 H CB 0.484 30.008 29.762 -0.395 0.000 1.509 747 H HN 0.812 nan 8.280 nan 0.000 0.614 748 Y N 1.162 121.516 120.300 0.090 0.000 2.181 748 Y HA -0.207 4.343 4.550 -0.000 0.000 0.288 748 Y C 1.216 177.097 175.900 -0.033 0.000 1.146 748 Y CA 1.355 59.370 58.100 -0.143 0.000 1.164 748 Y CB -0.036 38.411 38.460 -0.022 0.000 0.982 748 Y HN 0.760 nan 8.280 nan 0.000 0.515 749 H N -0.326 118.954 119.070 0.349 0.000 2.671 749 H HA 0.144 4.700 4.556 -0.000 0.000 0.372 749 H C 1.112 176.551 175.328 0.185 0.000 1.227 749 H CA -0.029 56.153 56.048 0.222 0.000 1.426 749 H CB 0.385 30.254 29.762 0.178 0.000 1.480 749 H HN 0.420 nan 8.280 nan 0.000 0.611 750 E N -0.743 119.574 120.200 0.195 0.000 3.975 750 E HA -0.281 4.069 4.350 -0.000 0.000 0.342 750 E C -0.920 175.693 176.600 0.022 0.000 0.677 750 E CA 0.901 57.381 56.400 0.134 0.000 1.238 750 E CB -1.541 28.277 29.700 0.196 0.000 1.665 750 E HN 0.601 nan 8.360 nan 0.000 0.429 751 L N 2.214 123.401 121.223 -0.060 0.000 2.462 751 L HA 0.154 4.494 4.340 -0.000 0.000 0.272 751 L C 0.801 177.588 176.870 -0.137 0.000 1.166 751 L CA -0.149 54.581 54.840 -0.183 0.000 0.880 751 L CB 0.412 42.295 42.059 -0.293 0.000 1.142 751 L HN 0.071 nan 8.230 nan 0.000 0.473 752 K N 2.145 122.443 120.400 -0.169 0.000 2.355 752 K HA 0.036 4.355 4.320 -0.000 0.000 0.270 752 K C -0.286 176.286 176.600 -0.046 0.000 1.003 752 K CA -0.166 56.066 56.287 -0.091 0.000 0.957 752 K CB 0.344 32.763 32.500 -0.136 0.000 0.939 752 K HN 0.401 nan 8.250 nan 0.000 0.482 753 H N 2.837 121.862 119.070 -0.075 0.000 2.724 753 H HA 0.245 4.801 4.556 -0.000 0.000 0.278 753 H C 0.053 175.333 175.328 -0.080 0.000 1.159 753 H CA -0.653 55.354 56.048 -0.069 0.000 1.254 753 H CB -0.229 29.513 29.762 -0.033 0.000 1.412 753 H HN 0.583 nan 8.280 nan 0.000 0.488 754 I N 2.729 123.018 120.570 -0.468 0.000 2.696 754 I HA 0.376 4.546 4.170 -0.000 0.000 0.284 754 I C -1.195 174.487 176.117 -0.726 0.000 1.129 754 I CA -0.477 60.480 61.300 -0.572 0.000 1.410 754 I CB 0.974 38.598 38.000 -0.626 0.000 1.399 754 I HN 0.287 nan 8.210 nan 0.000 0.579 755 V N 6.570 126.115 119.914 -0.615 0.000 2.462 755 V HA 0.297 4.417 4.120 -0.000 0.000 0.288 755 V C -0.574 175.311 176.094 -0.347 0.000 1.020 755 V CA -0.287 61.770 62.300 -0.404 0.000 0.857 755 V CB 0.972 32.702 31.823 -0.155 0.000 1.013 755 V HN 0.589 nan 8.190 nan 0.000 0.431 756 F N 3.609 123.533 119.950 -0.043 0.000 2.509 756 F HA 0.319 4.846 4.527 -0.000 0.000 0.350 756 F C 0.655 176.438 175.800 -0.028 0.000 1.220 756 F CA -0.430 57.558 58.000 -0.019 0.000 1.151 756 F CB 0.803 39.822 39.000 0.030 0.000 1.379 756 F HN 0.245 nan 8.300 nan 0.000 0.610 757 V N 3.257 123.223 119.914 0.086 0.000 2.572 757 V HA 0.699 4.819 4.120 -0.000 0.000 0.291 757 V C 0.643 176.739 176.094 0.003 0.000 1.039 757 V CA 0.132 62.444 62.300 0.020 0.000 1.055 757 V CB 0.488 32.288 31.823 -0.038 0.000 0.969 757 V HN 0.959 nan 8.190 nan 0.000 0.482 758 G N 3.082 111.872 108.800 -0.017 0.000 2.369 758 G HA2 0.179 4.139 3.960 -0.000 0.000 0.293 758 G HA3 0.179 4.139 3.960 -0.000 0.000 0.293 758 G C -0.544 174.357 174.900 0.003 0.000 1.301 758 G CA -0.207 44.867 45.100 -0.043 0.000 0.913 758 G HN 0.848 nan 8.290 nan 0.000 0.540 759 S N -0.995 114.713 115.700 0.014 0.000 2.549 759 S HA 0.209 4.678 4.470 -0.000 0.000 0.286 759 S C 1.523 176.167 174.600 0.073 0.000 1.314 759 S CA 0.318 58.545 58.200 0.044 0.000 1.062 759 S CB 0.613 63.849 63.200 0.061 0.000 0.865 759 S HN 1.341 nan 8.310 nan 0.000 0.498 760 I N 4.167 124.758 120.570 0.036 0.000 2.761 760 I HA 0.041 4.210 4.170 -0.000 0.000 0.261 760 I C 1.937 178.065 176.117 0.018 0.000 1.198 760 I CA 1.281 62.588 61.300 0.012 0.000 1.482 760 I CB -0.335 37.654 38.000 -0.020 0.000 1.100 760 I HN 0.693 nan 8.210 nan 0.000 0.445 761 E N -0.439 119.787 120.200 0.043 0.000 2.150 761 E HA -0.251 4.099 4.350 -0.000 0.000 0.193 761 E C 1.924 178.566 176.600 0.070 0.000 0.985 761 E CA 1.310 57.736 56.400 0.044 0.000 0.814 761 E CB -0.487 29.243 29.700 0.051 0.000 0.752 761 E HN 0.676 nan 8.360 nan 0.000 0.466 762 Y N 0.958 121.254 120.300 -0.008 0.000 2.231 762 Y HA 0.010 4.560 4.550 -0.000 0.000 0.294 762 Y C 2.177 178.065 175.900 -0.020 0.000 1.120 762 Y CA 0.823 58.919 58.100 -0.007 0.000 1.141 762 Y CB -0.318 38.142 38.460 -0.001 0.000 1.022 762 Y HN -0.125 nan 8.280 nan 0.000 0.523 763 L N 0.601 121.847 121.223 0.038 0.000 2.189 763 L HA -0.262 4.077 4.340 -0.000 0.000 0.214 763 L C 2.326 179.130 176.870 -0.110 0.000 1.097 763 L CA 1.591 56.387 54.840 -0.073 0.000 0.764 763 L CB -0.451 41.623 42.059 0.026 0.000 0.900 763 L HN 0.240 nan 8.230 nan 0.000 0.436 764 K N -0.050 120.299 120.400 -0.085 0.000 2.002 764 K HA -0.155 4.165 4.320 -0.000 0.000 0.209 764 K C 2.158 178.726 176.600 -0.053 0.000 1.048 764 K CA 1.309 57.574 56.287 -0.037 0.000 0.930 764 K CB -0.141 32.335 32.500 -0.041 0.000 0.714 764 K HN 0.252 nan 8.250 nan 0.000 0.438 765 R N 0.702 121.107 120.500 -0.157 0.000 2.170 765 R HA -0.180 4.160 4.340 -0.000 0.000 0.242 765 R C 2.007 178.181 176.300 -0.210 0.000 1.145 765 R CA 1.355 57.347 56.100 -0.179 0.000 0.984 765 R CB -0.106 30.055 30.300 -0.231 0.000 0.869 765 R HN 0.191 nan 8.270 nan 0.000 0.455 766 E N -0.116 119.920 120.200 -0.274 0.000 2.340 766 E HA -0.097 4.253 4.350 -0.000 0.000 0.194 766 E C 1.301 177.824 176.600 -0.127 0.000 0.996 766 E CA 0.328 56.582 56.400 -0.244 0.000 0.869 766 E CB -0.090 29.400 29.700 -0.349 0.000 0.835 766 E HN 0.400 nan 8.360 nan 0.000 0.493 767 W N 1.193 122.356 121.300 -0.229 0.000 2.402 767 W HA -0.149 4.510 4.660 -0.000 0.000 0.286 767 W C 0.795 177.152 176.519 -0.271 0.000 1.221 767 W CA 1.340 58.576 57.345 -0.181 0.000 1.257 767 W CB 0.205 29.595 29.460 -0.117 0.000 1.120 767 W HN 0.084 nan 8.180 nan 0.000 0.551 768 E N -0.357 119.666 120.200 -0.294 0.000 2.273 768 E HA -0.208 4.142 4.350 -0.000 0.000 0.198 768 E C 2.182 178.347 176.600 -0.725 0.000 1.002 768 E CA 2.434 58.512 56.400 -0.537 0.000 0.828 768 E CB -0.391 29.159 29.700 -0.250 0.000 0.747 768 E HN 0.339 nan 8.360 nan 0.000 0.491 769 T N -3.359 110.908 114.554 -0.478 0.000 3.022 769 T HA 0.163 4.513 4.350 -0.000 0.000 0.250 769 T C 1.529 176.090 174.700 -0.232 0.000 1.060 769 T CA -0.021 61.905 62.100 -0.290 0.000 1.013 769 T CB 0.075 68.863 68.868 -0.134 0.000 0.982 769 T HN 0.072 nan 8.240 nan 0.000 0.508 770 L N 0.804 121.748 121.223 -0.465 0.000 2.575 770 L HA 0.236 4.575 4.340 -0.000 0.000 0.228 770 L C 2.440 178.963 176.870 -0.577 0.000 1.075 770 L CA 0.230 54.883 54.840 -0.311 0.000 0.867 770 L CB -0.308 41.539 42.059 -0.353 0.000 1.097 770 L HN 0.363 nan 8.230 nan 0.000 0.485 771 H N -1.212 117.151 119.070 -1.178 0.000 2.560 771 H HA -0.021 4.535 4.556 -0.000 0.000 0.283 771 H C 1.332 176.359 175.328 -0.501 0.000 1.028 771 H CA 0.595 56.036 56.048 -1.011 0.000 1.221 771 H CB -0.814 28.509 29.762 -0.732 0.000 1.363 771 H HN 0.241 nan 8.280 nan 0.000 0.594 772 N N 0.260 118.819 118.700 -0.235 0.000 2.415 772 N HA -0.013 4.727 4.740 -0.000 0.000 0.176 772 N C -0.316 174.805 175.510 -0.649 0.000 1.042 772 N CA 0.130 52.798 53.050 -0.637 0.000 0.902 772 N CB -0.033 38.114 38.487 -0.566 0.000 0.986 772 N HN 0.206 nan 8.380 nan 0.000 0.447 773 F N 2.443 122.265 119.950 -0.212 0.000 2.429 773 F HA 0.276 4.803 4.527 -0.000 0.000 0.348 773 F C -1.441 174.309 175.800 -0.083 0.000 1.109 773 F CA -1.982 55.949 58.000 -0.115 0.000 1.232 773 F CB 0.228 39.178 39.000 -0.084 0.000 1.157 773 F HN -0.059 nan 8.300 nan 0.000 0.564 774 P HA 0.078 nan 4.420 nan 0.000 0.277 774 P C -1.029 176.328 177.300 0.095 0.000 1.271 774 P CA -0.599 62.549 63.100 0.081 0.000 0.795 774 P CB 0.490 32.190 31.700 0.001 0.000 1.101 775 K N -1.425 119.053 120.400 0.129 0.000 4.075 775 K HA -0.083 4.237 4.320 -0.000 0.000 0.278 775 K C -0.798 175.952 176.600 0.250 0.000 0.862 775 K CA 0.294 56.753 56.287 0.287 0.000 0.762 775 K CB -1.703 30.920 32.500 0.205 0.000 1.660 775 K HN 0.210 nan 8.250 nan 0.000 0.437 776 V N 0.902 120.954 119.914 0.230 0.000 2.577 776 V HA 0.346 4.466 4.120 -0.000 0.000 0.303 776 V C -0.091 176.101 176.094 0.162 0.000 1.042 776 V CA -0.735 61.627 62.300 0.103 0.000 0.872 776 V CB 2.272 34.286 31.823 0.319 0.000 0.998 776 V HN 0.406 nan 8.190 nan 0.000 0.423 777 S N 4.569 120.242 115.700 -0.046 0.000 2.638 777 S HA 0.807 5.276 4.470 -0.000 0.000 0.302 777 S C -0.754 173.885 174.600 0.065 0.000 1.096 777 S CA -0.635 57.586 58.200 0.035 0.000 0.953 777 S CB 2.025 65.252 63.200 0.046 0.000 1.107 777 S HN 0.559 nan 8.310 nan 0.000 0.503 778 I N 2.294 122.890 120.570 0.044 0.000 2.560 778 I HA 0.236 4.405 4.170 -0.000 0.000 0.283 778 I C -1.590 174.538 176.117 0.018 0.000 1.115 778 I CA -0.476 60.864 61.300 0.066 0.000 1.066 778 I CB 1.634 39.644 38.000 0.016 0.000 1.221 778 I HN 0.315 nan 8.210 nan 0.000 0.450 779 L N 9.557 130.797 121.223 0.028 0.000 2.288 779 L HA 0.593 4.933 4.340 -0.000 0.000 0.283 779 L C -2.404 174.468 176.870 0.004 0.000 1.072 779 L CA -1.879 52.965 54.840 0.007 0.000 0.862 779 L CB 0.239 42.300 42.059 0.003 0.000 1.245 779 L HN 0.196 nan 8.230 nan 0.000 0.432 780 P HA 0.373 nan 4.420 nan 0.000 0.262 780 P C 0.163 177.455 177.300 -0.014 0.000 1.182 780 P CA 0.347 63.442 63.100 -0.008 0.000 0.761 780 P CB 0.673 32.364 31.700 -0.015 0.000 0.795 781 G N 1.763 110.550 108.800 -0.020 0.000 2.455 781 G HA2 0.450 4.409 3.960 -0.000 0.000 0.223 781 G HA3 0.450 4.409 3.960 -0.000 0.000 0.223 781 G C -1.373 173.489 174.900 -0.064 0.000 1.226 781 G CA -0.088 44.992 45.100 -0.034 0.000 0.948 781 G HN 0.637 nan 8.290 nan 0.000 0.478 782 T N -1.876 112.624 114.554 -0.090 0.000 2.933 782 T HA 0.658 5.007 4.350 -0.000 0.000 0.305 782 T C -2.734 171.845 174.700 -0.201 0.000 1.092 782 T CA -1.293 60.703 62.100 -0.173 0.000 1.008 782 T CB 2.786 71.577 68.868 -0.128 0.000 1.102 782 T HN 0.262 nan 8.240 nan 0.000 0.469 783 P HA 0.163 nan 4.420 nan 0.000 0.239 783 P C 0.948 178.170 177.300 -0.130 0.000 1.184 783 P CA -0.020 62.919 63.100 -0.268 0.000 0.760 783 P CB 0.037 31.474 31.700 -0.438 0.000 0.884 784 L N -0.961 120.203 121.223 -0.098 0.000 2.375 784 L HA 0.088 4.427 4.340 -0.000 0.000 0.215 784 L C 0.870 177.751 176.870 0.018 0.000 1.108 784 L CA 0.853 55.706 54.840 0.022 0.000 0.830 784 L CB -0.494 41.613 42.059 0.081 0.000 0.959 784 L HN -0.106 nan 8.230 nan 0.000 0.457 785 S N -0.462 115.235 115.700 -0.006 0.000 2.422 785 S HA 0.226 4.696 4.470 -0.000 0.000 0.298 785 S C 1.107 175.713 174.600 0.009 0.000 1.118 785 S CA -0.810 57.393 58.200 0.005 0.000 1.083 785 S CB 0.769 63.967 63.200 -0.002 0.000 0.971 785 S HN 0.403 nan 8.310 nan 0.000 0.478 786 R N 2.293 122.808 120.500 0.027 0.000 2.357 786 R HA 0.095 4.435 4.340 -0.000 0.000 0.202 786 R C 1.592 177.911 176.300 0.031 0.000 1.047 786 R CA 0.740 56.865 56.100 0.042 0.000 1.034 786 R CB -0.751 29.590 30.300 0.069 0.000 0.875 786 R HN 0.653 nan 8.270 nan 0.000 0.473 787 A N 2.562 125.392 122.820 0.017 0.000 1.828 787 A HA -0.196 4.124 4.320 -0.000 0.000 0.215 787 A C 1.621 179.205 177.584 -0.001 0.000 1.203 787 A CA 1.706 53.748 52.037 0.008 0.000 0.614 787 A CB -0.530 18.472 19.000 0.004 0.000 0.844 787 A HN 0.274 nan 8.150 nan 0.000 0.445 788 D N 0.106 120.502 120.400 -0.007 0.000 2.158 788 D HA -0.148 4.492 4.640 -0.000 0.000 0.197 788 D C 2.015 178.307 176.300 -0.013 0.000 0.995 788 D CA 1.233 55.225 54.000 -0.014 0.000 0.846 788 D CB -0.358 40.428 40.800 -0.023 0.000 0.941 788 D HN 0.460 nan 8.370 nan 0.000 0.456 789 L N 0.437 121.655 121.223 -0.008 0.000 1.994 789 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 789 L C 2.712 179.568 176.870 -0.023 0.000 1.071 789 L CA 1.168 56.005 54.840 -0.006 0.000 0.745 789 L CB -0.394 41.678 42.059 0.021 0.000 0.892 789 L HN -0.056 nan 8.230 nan 0.000 0.431 790 R N 0.083 120.568 120.500 -0.024 0.000 2.091 790 R HA -0.173 4.167 4.340 -0.000 0.000 0.238 790 R C 2.435 178.692 176.300 -0.072 0.000 1.136 790 R CA 1.322 57.377 56.100 -0.075 0.000 0.959 790 R CB -0.625 29.653 30.300 -0.035 0.000 0.856 790 R HN 0.388 nan 8.270 nan 0.000 0.437 791 A N 0.989 123.786 122.820 -0.038 0.000 1.859 791 A HA -0.164 4.155 4.320 -0.000 0.000 0.218 791 A C 1.978 179.546 177.584 -0.026 0.000 1.209 791 A CA 1.883 53.901 52.037 -0.031 0.000 0.639 791 A CB -0.764 18.225 19.000 -0.018 0.000 0.835 791 A HN 0.163 nan 8.150 nan 0.000 0.450 792 V N 0.931 120.844 119.914 -0.002 0.000 3.515 792 V HA -0.039 4.081 4.120 -0.000 0.000 0.298 792 V C -0.083 176.078 176.094 0.112 0.000 1.206 792 V CA 0.566 62.896 62.300 0.050 0.000 1.253 792 V CB -2.568 29.292 31.823 0.062 0.000 1.035 792 V HN 0.704 nan 8.190 nan 0.000 0.428 793 N N 0.473 119.172 118.700 -0.002 0.000 2.637 793 N HA -0.223 4.517 4.740 -0.000 0.000 0.287 793 N C 0.637 176.175 175.510 0.046 0.000 1.130 793 N CA 0.442 53.463 53.050 -0.047 0.000 0.764 793 N CB -0.690 37.747 38.487 -0.084 0.000 0.935 793 N HN 0.568 nan 8.380 nan 0.000 0.558 794 I N -0.465 120.060 120.570 -0.075 0.000 3.059 794 I HA -0.132 4.038 4.170 -0.000 0.000 0.270 794 I C 1.375 177.454 176.117 -0.063 0.000 1.238 794 I CA 0.497 61.769 61.300 -0.046 0.000 1.478 794 I CB -0.283 37.708 38.000 -0.014 0.000 1.097 794 I HN 0.428 nan 8.210 nan 0.000 0.455 795 N N 2.224 120.733 118.700 -0.320 0.000 2.104 795 N HA -0.189 4.551 4.740 -0.000 0.000 0.190 795 N C 1.226 176.736 175.510 0.001 0.000 1.024 795 N CA 1.282 54.186 53.050 -0.244 0.000 0.853 795 N CB -0.395 37.744 38.487 -0.580 0.000 1.008 795 N HN 0.225 nan 8.380 nan 0.000 0.424 796 L N 0.181 121.404 121.223 0.000 0.000 2.653 796 L HA 0.235 4.575 4.340 -0.000 0.000 0.231 796 L C 0.204 177.164 176.870 0.150 0.000 1.153 796 L CA -0.500 54.377 54.840 0.062 0.000 0.933 796 L CB -0.557 41.515 42.059 0.021 0.000 1.175 796 L HN 0.267 nan 8.230 nan 0.000 0.473 797 C N 0.247 119.621 119.300 0.124 0.000 2.597 797 C HA -0.088 4.372 4.460 -0.000 0.000 0.412 797 C C 2.135 177.127 174.990 0.003 0.000 1.348 797 C CA 0.130 59.142 59.018 -0.010 0.000 1.769 797 C CB 0.104 27.781 27.740 -0.104 0.000 2.641 797 C HN 0.545 nan 8.230 nan 0.000 0.612 798 D N 1.524 121.902 120.400 -0.037 0.000 2.301 798 D HA 0.138 4.778 4.640 -0.000 0.000 0.206 798 D C 0.059 176.332 176.300 -0.045 0.000 0.979 798 D CA 0.806 54.797 54.000 -0.015 0.000 0.874 798 D CB 0.193 40.993 40.800 0.000 0.000 0.968 798 D HN 0.631 nan 8.370 nan 0.000 0.510 799 M N 0.701 120.242 119.600 -0.097 0.000 2.479 799 M HA 0.143 4.623 4.480 -0.000 0.000 0.192 799 M C -1.856 174.375 176.300 -0.115 0.000 0.939 799 M CA -0.489 54.764 55.300 -0.079 0.000 0.822 799 M CB 0.332 32.895 32.600 -0.062 0.000 2.615 799 M HN -0.140 nan 8.290 nan 0.000 0.412 800 c N 3.517 122.068 118.600 -0.081 0.000 2.652 800 c HA 0.816 5.386 4.570 -0.000 0.000 0.412 800 c C -0.260 173.808 174.090 -0.036 0.000 1.294 800 c CA 0.003 56.289 56.329 -0.072 0.000 2.127 800 c CB 0.108 42.599 42.510 -0.031 0.000 2.691 800 c HN 0.665 nan 8.230 nan 0.000 0.615 801 V N 7.327 127.223 119.914 -0.030 0.000 2.398 801 V HA 0.321 4.441 4.120 -0.000 0.000 0.282 801 V C -0.411 175.714 176.094 0.052 0.000 1.014 801 V CA -0.228 62.077 62.300 0.008 0.000 0.838 801 V CB 1.076 32.894 31.823 -0.009 0.000 1.018 801 V HN 0.668 nan 8.190 nan 0.000 0.432 802 I N 6.294 126.916 120.570 0.087 0.000 2.337 802 I HA 0.370 4.540 4.170 -0.000 0.000 0.291 802 I C 0.053 176.270 176.117 0.167 0.000 1.046 802 I CA 0.584 61.977 61.300 0.155 0.000 1.324 802 I CB 0.567 38.686 38.000 0.198 0.000 1.409 802 I HN 0.358 nan 8.210 nan 0.000 0.494 803 L N 4.403 125.745 121.223 0.198 0.000 2.286 803 L HA 0.734 5.074 4.340 -0.000 0.000 0.265 803 L C -0.035 176.963 176.870 0.214 0.000 1.012 803 L CA -0.741 54.197 54.840 0.163 0.000 0.818 803 L CB 2.110 44.242 42.059 0.122 0.000 1.337 803 L HN 0.514 nan 8.230 nan 0.000 0.438 804 S N -0.782 114.981 115.700 0.105 0.000 2.546 804 S HA 0.749 5.219 4.470 -0.000 0.000 0.274 804 S C -0.239 174.365 174.600 0.006 0.000 1.121 804 S CA 0.240 58.470 58.200 0.050 0.000 0.887 804 S CB 2.020 65.174 63.200 -0.077 0.000 1.094 804 S HN 0.717 nan 8.310 nan 0.000 0.474 805 A N 3.222 126.017 122.820 -0.042 0.000 2.600 805 A HA 0.357 4.677 4.320 -0.000 0.000 0.252 805 A C 0.783 178.349 177.584 -0.030 0.000 1.200 805 A CA -0.071 51.941 52.037 -0.042 0.000 0.981 805 A CB -0.161 18.763 19.000 -0.126 0.000 1.207 805 A HN 0.636 nan 8.150 nan 0.000 0.577 806 N N 0.696 119.371 118.700 -0.042 0.000 2.251 806 N HA -0.019 4.721 4.740 -0.000 0.000 0.217 806 N C 1.433 176.925 175.510 -0.030 0.000 1.124 806 N CA 0.632 53.666 53.050 -0.026 0.000 0.843 806 N CB 0.231 38.704 38.487 -0.023 0.000 1.024 806 N HN 0.515 nan 8.380 nan 0.000 0.501 807 Q N 0.200 119.979 119.800 -0.035 0.000 2.384 807 Q HA -0.001 4.339 4.340 -0.000 0.000 0.207 807 Q C 0.261 176.248 176.000 -0.023 0.000 0.904 807 Q CA 0.695 56.462 55.803 -0.060 0.000 0.933 807 Q CB -0.840 27.837 28.738 -0.103 0.000 1.077 807 Q HN 0.443 nan 8.270 nan 0.000 0.522 808 N N 0.735 119.458 118.700 0.040 0.000 2.609 808 N HA -0.103 4.636 4.740 -0.000 0.000 0.190 808 N C 0.630 176.193 175.510 0.088 0.000 1.157 808 N CA 0.686 53.800 53.050 0.106 0.000 0.918 808 N CB -0.233 38.315 38.487 0.101 0.000 0.978 808 N HN 0.107 nan 8.380 nan 0.000 0.448 809 N N 1.263 119.990 118.700 0.045 0.000 2.519 809 N HA -0.064 4.675 4.740 -0.000 0.000 0.186 809 N C 0.159 175.701 175.510 0.054 0.000 1.062 809 N CA 0.530 53.604 53.050 0.040 0.000 0.910 809 N CB -0.156 38.341 38.487 0.016 0.000 0.958 809 N HN 0.271 nan 8.380 nan 0.000 0.445 810 I N 0.893 121.509 120.570 0.077 0.000 5.908 810 I HA -0.242 3.928 4.170 -0.000 0.000 0.126 810 I C -0.835 175.309 176.117 0.045 0.000 1.818 810 I CA 0.284 61.643 61.300 0.098 0.000 2.044 810 I CB -2.591 35.480 38.000 0.120 0.000 3.408 810 I HN 0.235 nan 8.210 nan 0.000 0.171 811 D N 1.664 122.069 120.400 0.009 0.000 2.411 811 D HA 0.401 5.041 4.640 -0.000 0.000 0.225 811 D C 0.593 176.879 176.300 -0.023 0.000 1.156 811 D CA -0.077 53.920 54.000 -0.005 0.000 0.874 811 D CB 1.409 42.202 40.800 -0.012 0.000 1.034 811 D HN 0.277 nan 8.370 nan 0.000 0.502 812 D N 1.533 121.926 120.400 -0.011 0.000 4.556 812 D HA -0.201 4.439 4.640 -0.000 0.000 0.303 812 D C -0.001 176.276 176.300 -0.038 0.000 2.368 812 D CA 1.198 55.187 54.000 -0.018 0.000 1.145 812 D CB -0.493 40.293 40.800 -0.023 0.000 1.097 812 D HN 0.451 nan 8.370 nan 0.000 1.280 813 T N -0.478 114.052 114.554 -0.041 0.000 3.016 813 T HA 0.250 4.600 4.350 -0.000 0.000 0.271 813 T C 1.098 175.755 174.700 -0.073 0.000 0.968 813 T CA 0.529 62.588 62.100 -0.068 0.000 0.891 813 T CB 0.279 69.135 68.868 -0.019 0.000 1.149 813 T HN 0.196 nan 8.240 nan 0.000 0.524 814 S N 0.649 116.323 115.700 -0.042 0.000 2.632 814 S HA 0.389 4.859 4.470 -0.000 0.000 0.237 814 S C 1.169 175.767 174.600 -0.005 0.000 1.037 814 S CA -0.252 57.942 58.200 -0.010 0.000 1.009 814 S CB 0.353 63.570 63.200 0.028 0.000 0.974 814 S HN 0.284 nan 8.310 nan 0.000 0.544 815 L N 1.247 122.449 121.223 -0.035 0.000 2.728 815 L HA 0.269 4.608 4.340 -0.000 0.000 0.238 815 L C 1.598 178.424 176.870 -0.074 0.000 1.143 815 L CA 0.244 55.059 54.840 -0.042 0.000 0.937 815 L CB -0.047 41.989 42.059 -0.038 0.000 1.225 815 L HN 0.238 nan 8.230 nan 0.000 0.507 816 Q N -0.172 119.568 119.800 -0.101 0.000 2.435 816 Q HA -0.077 4.262 4.340 -0.000 0.000 0.207 816 Q C 0.404 176.324 176.000 -0.133 0.000 0.956 816 Q CA 0.676 56.398 55.803 -0.135 0.000 0.917 816 Q CB 0.297 28.914 28.738 -0.201 0.000 0.997 816 Q HN 0.384 nan 8.270 nan 0.000 0.497 817 D N 0.104 120.448 120.400 -0.094 0.000 2.395 817 D HA -0.015 4.624 4.640 -0.000 0.000 0.213 817 D C 1.213 177.468 176.300 -0.075 0.000 1.110 817 D CA 0.209 54.163 54.000 -0.077 0.000 0.835 817 D CB 0.347 41.136 40.800 -0.019 0.000 0.965 817 D HN 0.333 nan 8.370 nan 0.000 0.505 818 K N 1.059 121.403 120.400 -0.093 0.000 2.057 818 K HA -0.099 4.221 4.320 -0.000 0.000 0.206 818 K C 1.457 177.967 176.600 -0.149 0.000 1.050 818 K CA 0.899 57.133 56.287 -0.089 0.000 0.935 818 K CB -0.052 32.401 32.500 -0.079 0.000 0.715 818 K HN -0.008 nan 8.250 nan 0.000 0.439 819 E N 1.127 121.160 120.200 -0.279 0.000 2.013 819 E HA -0.209 4.140 4.350 -0.000 0.000 0.202 819 E C 2.417 178.693 176.600 -0.540 0.000 1.018 819 E CA 2.100 58.171 56.400 -0.549 0.000 0.834 819 E CB -0.519 28.586 29.700 -0.992 0.000 0.770 819 E HN 0.432 nan 8.360 nan 0.000 0.459 820 C N 0.972 119.967 119.300 -0.509 0.000 2.393 820 C HA -0.168 4.291 4.460 -0.000 0.000 0.276 820 C C 2.676 177.662 174.990 -0.006 0.000 1.215 820 C CA 0.459 59.373 59.018 -0.173 0.000 1.743 820 C CB -1.073 26.618 27.740 -0.081 0.000 2.044 820 C HN 0.380 nan 8.230 nan 0.000 0.464 821 I N 0.604 121.165 120.570 -0.015 0.000 2.335 821 I HA -0.207 3.963 4.170 -0.000 0.000 0.251 821 I C 2.453 178.596 176.117 0.044 0.000 1.129 821 I CA 1.460 62.788 61.300 0.046 0.000 1.402 821 I CB -0.366 37.681 38.000 0.078 0.000 1.069 821 I HN 0.376 nan 8.210 nan 0.000 0.424 822 L N 0.015 121.250 121.223 0.021 0.000 2.217 822 L HA -0.105 4.235 4.340 -0.000 0.000 0.211 822 L C 2.693 179.616 176.870 0.089 0.000 1.107 822 L CA 0.865 55.728 54.840 0.039 0.000 0.783 822 L CB -0.421 41.653 42.059 0.025 0.000 0.919 822 L HN 0.231 nan 8.230 nan 0.000 0.442 823 A N -0.105 122.804 122.820 0.148 0.000 1.855 823 A HA -0.154 4.166 4.320 -0.000 0.000 0.213 823 A C 2.427 180.089 177.584 0.130 0.000 1.195 823 A CA 1.399 53.554 52.037 0.197 0.000 0.610 823 A CB -0.637 18.592 19.000 0.382 0.000 0.837 823 A HN 0.445 nan 8.150 nan 0.000 0.444 824 S N -0.498 115.274 115.700 0.121 0.000 2.500 824 S HA 0.016 4.486 4.470 -0.000 0.000 0.239 824 S C 1.726 176.368 174.600 0.071 0.000 0.989 824 S CA 1.169 59.424 58.200 0.092 0.000 0.951 824 S CB -0.387 62.868 63.200 0.092 0.000 0.759 824 S HN 0.433 nan 8.310 nan 0.000 0.523 825 L N 1.032 122.295 121.223 0.066 0.000 2.145 825 L HA 0.075 4.415 4.340 -0.000 0.000 0.201 825 L C 2.641 179.534 176.870 0.038 0.000 1.075 825 L CA 1.156 56.024 54.840 0.046 0.000 0.773 825 L CB -0.522 41.559 42.059 0.036 0.000 0.936 825 L HN 0.328 nan 8.230 nan 0.000 0.451 826 N N 0.765 119.495 118.700 0.050 0.000 2.094 826 N HA -0.252 4.488 4.740 -0.000 0.000 0.191 826 N C 1.699 177.236 175.510 0.045 0.000 1.023 826 N CA 1.779 54.857 53.050 0.046 0.000 0.857 826 N CB -0.208 38.316 38.487 0.061 0.000 1.013 826 N HN 0.310 nan 8.380 nan 0.000 0.426 827 I N -0.020 120.585 120.570 0.058 0.000 2.315 827 I HA -0.218 3.952 4.170 -0.000 0.000 0.248 827 I C 1.785 177.923 176.117 0.035 0.000 1.117 827 I CA 1.084 62.425 61.300 0.069 0.000 1.404 827 I CB -0.167 37.881 38.000 0.080 0.000 1.071 827 I HN 0.164 nan 8.210 nan 0.000 0.419 828 K N 0.166 120.576 120.400 0.017 0.000 2.432 828 K HA 0.015 4.335 4.320 -0.000 0.000 0.196 828 K C 1.993 178.562 176.600 -0.051 0.000 1.038 828 K CA 0.721 56.998 56.287 -0.016 0.000 0.986 828 K CB 0.085 32.584 32.500 -0.001 0.000 0.782 828 K HN 0.167 nan 8.250 nan 0.000 0.485 829 S N 1.194 116.872 115.700 -0.037 0.000 2.456 829 S HA 0.083 4.553 4.470 -0.000 0.000 0.224 829 S C 0.771 175.322 174.600 -0.081 0.000 1.035 829 S CA 0.062 58.233 58.200 -0.048 0.000 0.940 829 S CB 0.006 63.194 63.200 -0.020 0.000 0.799 829 S HN 0.326 nan 8.310 nan 0.000 0.508 830 M N 2.066 121.619 119.600 -0.079 0.000 2.268 830 M HA 0.260 4.739 4.480 -0.000 0.000 0.349 830 M C -0.560 175.538 176.300 -0.337 0.000 1.485 830 M CA 0.293 55.536 55.300 -0.095 0.000 1.094 830 M CB 0.049 32.680 32.600 0.052 0.000 1.843 830 M HN -0.033 nan 8.290 nan 0.000 0.460 831 Q N 4.940 124.587 119.800 -0.255 0.000 2.257 831 Q HA 0.635 4.974 4.340 -0.000 0.000 0.255 831 Q C -1.262 174.595 176.000 -0.237 0.000 0.920 831 Q CA -0.138 55.458 55.803 -0.345 0.000 0.927 831 Q CB 1.506 30.151 28.738 -0.155 0.000 1.229 831 Q HN 0.776 nan 8.270 nan 0.000 0.433 832 F N -0.610 119.343 119.950 0.005 0.000 2.645 832 F HA 0.524 5.051 4.527 -0.000 0.000 0.310 832 F C -0.728 175.074 175.800 0.004 0.000 1.102 832 F CA -1.541 56.462 58.000 0.005 0.000 0.952 832 F CB 0.966 39.970 39.000 0.007 0.000 1.326 832 F HN 0.376 nan 8.300 nan 0.000 0.456 873 G N 1.309 110.076 108.800 -0.055 0.000 2.882 873 G HA2 0.196 4.155 3.960 -0.000 0.000 0.206 873 G HA3 0.196 4.155 3.960 -0.000 0.000 0.206 873 G C 1.227 176.102 174.900 -0.041 0.000 1.155 873 G CA 0.512 45.598 45.100 -0.023 0.000 0.800 873 G HN 0.884 nan 8.290 nan 0.000 0.524 874 V N 0.613 120.441 119.914 -0.144 0.000 2.828 874 V HA -0.133 3.987 4.120 -0.000 0.000 0.260 874 V C 1.515 177.569 176.094 -0.067 0.000 1.101 874 V CA 0.635 62.796 62.300 -0.230 0.000 1.123 874 V CB -0.715 30.929 31.823 -0.297 0.000 0.704 874 V HN 0.532 nan 8.190 nan 0.000 0.493 875 N N 2.228 120.910 118.700 -0.030 0.000 2.406 875 N HA 0.079 4.819 4.740 -0.000 0.000 0.274 875 N C -0.490 175.041 175.510 0.035 0.000 1.249 875 N CA 0.229 53.279 53.050 -0.001 0.000 0.951 875 N CB 0.174 38.655 38.487 -0.010 0.000 1.241 875 N HN 0.621 nan 8.380 nan 0.000 0.485 876 I N 0.688 121.289 120.570 0.052 0.000 2.730 876 I HA 0.546 4.716 4.170 -0.000 0.000 0.298 876 I C -2.725 173.422 176.117 0.050 0.000 1.089 876 I CA -2.700 58.641 61.300 0.068 0.000 1.041 876 I CB 1.769 39.835 38.000 0.110 0.000 1.235 876 I HN 0.136 nan 8.210 nan 0.000 0.423 877 P HA 0.261 nan 4.420 nan 0.000 0.258 877 P C -0.868 176.449 177.300 0.028 0.000 1.187 877 P CA 0.658 63.780 63.100 0.036 0.000 0.767 877 P CB 0.206 31.919 31.700 0.023 0.000 0.770 878 I N 4.126 124.720 120.570 0.039 0.000 2.582 878 I HA 0.473 4.643 4.170 -0.000 0.000 0.292 878 I C -0.234 175.914 176.117 0.051 0.000 1.066 878 I CA -0.831 60.494 61.300 0.040 0.000 1.053 878 I CB 2.393 40.423 38.000 0.050 0.000 1.241 878 I HN 0.232 nan 8.210 nan 0.000 0.421 879 I N 5.620 126.220 120.570 0.049 0.000 2.468 879 I HA 0.394 4.564 4.170 -0.000 0.000 0.285 879 I C -0.531 175.635 176.117 0.081 0.000 1.039 879 I CA -0.000 61.340 61.300 0.067 0.000 1.074 879 I CB 1.602 39.633 38.000 0.051 0.000 1.228 879 I HN 0.690 nan 8.210 nan 0.000 0.436 880 T N 2.339 116.959 114.554 0.109 0.000 2.855 880 T HA 0.387 4.737 4.350 -0.000 0.000 0.281 880 T C -0.368 174.427 174.700 0.159 0.000 1.007 880 T CA -0.724 61.448 62.100 0.120 0.000 1.009 880 T CB 1.856 70.790 68.868 0.110 0.000 0.983 880 T HN 0.673 nan 8.240 nan 0.000 0.455 881 E N 3.014 123.308 120.200 0.158 0.000 2.152 881 E HA 0.366 4.715 4.350 -0.000 0.000 0.285 881 E C -1.092 175.600 176.600 0.152 0.000 1.043 881 E CA -0.578 55.952 56.400 0.218 0.000 0.839 881 E CB 0.409 30.224 29.700 0.191 0.000 1.069 881 E HN 0.602 nan 8.360 nan 0.000 0.399 882 L N 5.047 126.361 121.223 0.151 0.000 2.329 882 L HA 0.277 4.617 4.340 -0.000 0.000 0.279 882 L C 0.837 177.737 176.870 0.050 0.000 1.014 882 L CA -0.551 54.331 54.840 0.070 0.000 0.814 882 L CB 1.767 43.855 42.059 0.049 0.000 1.257 882 L HN 0.499 nan 8.230 nan 0.000 0.424 883 V N 2.016 121.934 119.914 0.007 0.000 2.599 883 V HA 0.099 4.219 4.120 -0.000 0.000 0.245 883 V C 0.561 176.645 176.094 -0.016 0.000 1.046 883 V CA 0.940 63.240 62.300 0.001 0.000 1.065 883 V CB 0.179 31.953 31.823 -0.082 0.000 0.703 883 V HN 0.865 nan 8.190 nan 0.000 0.464 884 N N 0.870 119.541 118.700 -0.048 0.000 2.425 884 N HA 0.174 4.913 4.740 -0.000 0.000 0.268 884 N C 0.494 175.963 175.510 -0.067 0.000 0.991 884 N CA -0.138 52.882 53.050 -0.049 0.000 0.931 884 N CB 1.194 39.646 38.487 -0.058 0.000 1.130 884 N HN 0.266 nan 8.380 nan 0.000 0.493 885 D N 1.813 122.171 120.400 -0.071 0.000 2.309 885 D HA -0.112 4.528 4.640 -0.000 0.000 0.212 885 D C 0.728 176.938 176.300 -0.149 0.000 0.968 885 D CA 1.172 55.109 54.000 -0.104 0.000 0.882 885 D CB 0.278 41.014 40.800 -0.106 0.000 0.918 885 D HN 0.588 nan 8.370 nan 0.000 0.503 886 T N 1.514 115.973 114.554 -0.158 0.000 2.701 886 T HA -0.103 4.246 4.350 -0.000 0.000 0.263 886 T C 1.671 176.097 174.700 -0.458 0.000 1.040 886 T CA 0.676 62.635 62.100 -0.235 0.000 1.147 886 T CB -0.157 68.612 68.868 -0.165 0.000 0.865 886 T HN 0.111 nan 8.240 nan 0.000 0.426 887 N N 1.344 119.784 118.700 -0.433 0.000 2.258 887 N HA -0.087 4.653 4.740 -0.000 0.000 0.187 887 N C 1.892 177.073 175.510 -0.548 0.000 1.012 887 N CA 0.508 53.160 53.050 -0.665 0.000 0.870 887 N CB -0.877 37.561 38.487 -0.081 0.000 0.977 887 N HN 0.155 nan 8.380 nan 0.000 0.434 888 V N 1.699 121.444 119.914 -0.281 0.000 2.527 888 V HA -0.284 3.835 4.120 -0.000 0.000 0.255 888 V C 2.039 178.055 176.094 -0.130 0.000 1.081 888 V CA 1.761 63.987 62.300 -0.123 0.000 1.092 888 V CB -0.316 31.475 31.823 -0.054 0.000 0.673 888 V HN 0.395 nan 8.190 nan 0.000 0.470 889 Q N -1.278 118.345 119.800 -0.294 0.000 2.230 889 Q HA -0.102 4.237 4.340 -0.000 0.000 0.202 889 Q C 1.785 177.788 176.000 0.004 0.000 0.963 889 Q CA 1.166 56.867 55.803 -0.170 0.000 0.866 889 Q CB -0.116 28.487 28.738 -0.225 0.000 0.931 889 Q HN 0.688 nan 8.270 nan 0.000 0.452 890 F N 0.129 120.088 119.950 0.015 0.000 2.771 890 F HA -0.002 4.525 4.527 -0.000 0.000 0.299 890 F C 1.427 177.236 175.800 0.015 0.000 1.177 890 F CA 0.496 58.502 58.000 0.010 0.000 1.450 890 F CB -0.217 38.784 39.000 0.002 0.000 1.114 890 F HN 0.027 nan 8.300 nan 0.000 0.587 891 L N -1.274 120.049 121.223 0.168 0.000 2.667 891 L HA 0.236 4.576 4.340 -0.000 0.000 0.232 891 L C -0.133 176.784 176.870 0.078 0.000 1.138 891 L CA 0.077 54.985 54.840 0.113 0.000 0.921 891 L CB 0.049 42.163 42.059 0.092 0.000 1.180 891 L HN -0.050 nan 8.230 nan 0.000 0.487 892 D N -1.757 118.691 120.400 0.080 0.000 2.692 892 D HA 0.236 4.875 4.640 -0.000 0.000 0.303 892 D C -0.689 175.645 176.300 0.057 0.000 1.278 892 D CA -0.539 53.491 54.000 0.051 0.000 0.852 892 D CB 1.136 41.954 40.800 0.030 0.000 1.375 892 D HN -0.082 nan 8.370 nan 0.000 0.453 893 Q N -0.109 119.715 119.800 0.040 0.000 2.700 893 Q HA 0.177 4.517 4.340 -0.000 0.000 0.232 893 Q C 0.345 176.382 176.000 0.061 0.000 1.110 893 Q CA 0.677 56.507 55.803 0.044 0.000 1.026 893 Q CB 0.584 29.343 28.738 0.034 0.000 1.311 893 Q HN 0.565 nan 8.270 nan 0.000 0.583 894 D N -1.184 119.251 120.400 0.059 0.000 2.473 894 D HA -0.020 4.619 4.640 -0.000 0.000 0.230 894 D C -0.400 175.938 176.300 0.064 0.000 1.097 894 D CA -0.059 53.979 54.000 0.062 0.000 0.861 894 D CB 0.115 40.948 40.800 0.054 0.000 1.114 894 D HN 0.379 nan 8.370 nan 0.000 0.500 895 D N 2.024 122.462 120.400 0.064 0.000 2.487 895 D HA -0.014 4.626 4.640 -0.000 0.000 0.243 895 D C 0.043 176.399 176.300 0.093 0.000 1.154 895 D CA 0.703 54.744 54.000 0.067 0.000 0.876 895 D CB 0.240 41.078 40.800 0.064 0.000 1.161 895 D HN -0.038 nan 8.370 nan 0.000 0.478 896 D N 2.229 122.672 120.400 0.071 0.000 2.870 896 D HA -0.206 4.434 4.640 -0.000 0.000 0.228 896 D C -0.914 175.426 176.300 0.068 0.000 1.147 896 D CA 0.828 54.868 54.000 0.066 0.000 0.757 896 D CB -0.873 39.988 40.800 0.101 0.000 1.091 896 D HN 0.467 nan 8.370 nan 0.000 0.429 897 D N 0.614 121.049 120.400 0.059 0.000 2.375 897 D HA 0.139 4.779 4.640 -0.000 0.000 0.241 897 D C -0.641 175.675 176.300 0.026 0.000 1.361 897 D CA -0.483 53.548 54.000 0.052 0.000 0.995 897 D CB 0.932 41.788 40.800 0.094 0.000 1.312 897 D HN -0.187 nan 8.370 nan 0.000 0.576 898 D N 2.256 122.657 120.400 0.002 0.000 2.419 898 D HA 0.040 4.680 4.640 -0.000 0.000 0.236 898 D C -1.416 174.884 176.300 -0.000 0.000 1.165 898 D CA -0.958 53.039 54.000 -0.004 0.000 0.882 898 D CB 0.601 41.389 40.800 -0.020 0.000 1.201 898 D HN 0.166 nan 8.370 nan 0.000 0.443 899 P HA 0.001 nan 4.420 nan 0.000 0.239 899 P C -0.673 176.623 177.300 -0.006 0.000 1.184 899 P CA 0.723 63.832 63.100 0.015 0.000 0.760 899 P CB 0.167 31.883 31.700 0.026 0.000 0.884 900 D N -2.169 118.216 120.400 -0.024 0.000 2.846 900 D HA 0.094 4.734 4.640 -0.000 0.000 0.279 900 D C -0.552 175.711 176.300 -0.061 0.000 1.222 900 D CA -0.589 53.386 54.000 -0.041 0.000 0.769 900 D CB -0.537 40.245 40.800 -0.030 0.000 1.299 900 D HN -0.103 nan 8.370 nan 0.000 0.537 901 T N -2.118 112.387 114.554 -0.082 0.000 2.918 901 T HA 0.507 4.857 4.350 -0.000 0.000 0.286 901 T C 0.254 174.851 174.700 -0.171 0.000 1.026 901 T CA -0.910 61.119 62.100 -0.117 0.000 1.031 901 T CB 1.994 70.797 68.868 -0.109 0.000 1.046 901 T HN -0.032 nan 8.240 nan 0.000 0.479 902 E N 1.173 121.222 120.200 -0.251 0.000 2.442 902 E HA 0.003 4.353 4.350 -0.000 0.000 0.262 902 E C 1.189 177.557 176.600 -0.387 0.000 1.004 902 E CA -0.210 55.988 56.400 -0.338 0.000 0.928 902 E CB 0.780 30.153 29.700 -0.545 0.000 0.937 902 E HN 0.694 nan 8.360 nan 0.000 0.446 903 L N 5.188 126.234 121.223 -0.294 0.000 1.991 903 L HA -0.297 4.042 4.340 -0.000 0.000 0.221 903 L C 2.072 178.699 176.870 -0.405 0.000 1.079 903 L CA 2.121 56.764 54.840 -0.328 0.000 0.778 903 L CB -1.104 40.737 42.059 -0.363 0.000 0.893 903 L HN 0.724 nan 8.230 nan 0.000 0.437 904 Y N -2.026 118.054 120.300 -0.368 0.000 2.665 904 Y HA 0.177 4.727 4.550 -0.000 0.000 0.320 904 Y C 1.384 177.424 175.900 0.232 0.000 1.204 904 Y CA 0.326 58.317 58.100 -0.183 0.000 1.315 904 Y CB -0.803 37.617 38.460 -0.067 0.000 1.033 904 Y HN 0.239 nan 8.280 nan 0.000 0.509 905 L N -0.013 121.124 121.223 -0.144 0.000 2.920 905 L HA 0.173 4.512 4.340 -0.000 0.000 0.257 905 L C 0.487 177.438 176.870 0.134 0.000 1.150 905 L CA 0.018 54.861 54.840 0.005 0.000 0.959 905 L CB 0.385 42.288 42.059 -0.260 0.000 1.321 905 L HN 0.209 nan 8.230 nan 0.000 0.555 906 T N -2.968 111.646 114.554 0.099 0.000 2.869 906 T HA 0.040 4.389 4.350 -0.000 0.000 0.295 906 T C 0.812 175.616 174.700 0.174 0.000 0.987 906 T CA -0.385 61.794 62.100 0.132 0.000 1.109 906 T CB 1.878 70.775 68.868 0.049 0.000 0.932 906 T HN 0.144 nan 8.240 nan 0.000 0.518 907 Q N 2.488 122.369 119.800 0.135 0.000 2.118 907 Q HA -0.163 4.176 4.340 -0.000 0.000 0.211 907 Q C -0.839 175.122 176.000 -0.064 0.000 0.998 907 Q CA 2.007 57.749 55.803 -0.102 0.000 0.872 907 Q CB -1.295 27.335 28.738 -0.179 0.000 0.925 907 Q HN 0.579 nan 8.270 nan 0.000 0.414 908 P HA -0.189 nan 4.420 nan 0.000 0.216 908 P C 0.775 178.138 177.300 0.105 0.000 1.157 908 P CA 1.295 64.430 63.100 0.059 0.000 0.880 908 P CB -0.262 31.490 31.700 0.087 0.000 0.791 909 F N -0.475 119.487 119.950 0.020 0.000 2.456 909 F HA 0.102 4.629 4.527 -0.000 0.000 0.298 909 F C 2.049 177.887 175.800 0.062 0.000 1.104 909 F CA 0.797 58.834 58.000 0.062 0.000 1.435 909 F CB -0.294 38.751 39.000 0.076 0.000 1.078 909 F HN -0.160 nan 8.300 nan 0.000 0.546 910 A N -1.478 121.380 122.820 0.062 0.000 2.021 910 A HA -0.057 4.263 4.320 -0.000 0.000 0.216 910 A C 2.041 179.583 177.584 -0.069 0.000 1.163 910 A CA 1.321 53.244 52.037 -0.189 0.000 0.676 910 A CB -1.289 17.421 19.000 -0.484 0.000 0.818 910 A HN 0.482 nan 8.150 nan 0.000 0.453 911 C N -2.516 116.763 119.300 -0.034 0.000 2.525 911 C HA 0.490 4.950 4.460 -0.000 0.000 0.291 911 C C 2.042 177.132 174.990 0.167 0.000 1.351 911 C CA 0.514 59.582 59.018 0.083 0.000 1.771 911 C CB -0.148 27.590 27.740 -0.003 0.000 2.177 911 C HN 1.003 nan 8.230 nan 0.000 0.510 912 G N -0.117 108.708 108.800 0.042 0.000 2.175 912 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.182 912 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.182 912 G C 0.581 175.515 174.900 0.055 0.000 1.003 912 G CA 0.519 45.633 45.100 0.023 0.000 0.666 912 G HN 0.344 nan 8.290 nan 0.000 0.506 913 T N 0.301 114.891 114.554 0.059 0.000 3.098 913 T HA 0.492 4.842 4.350 -0.000 0.000 0.266 913 T C 0.986 175.742 174.700 0.094 0.000 1.145 913 T CA 1.872 64.014 62.100 0.070 0.000 1.092 913 T CB 0.110 69.010 68.868 0.055 0.000 0.908 913 T HN 1.671 nan 8.240 nan 0.000 0.526 914 A N 0.864 123.750 122.820 0.111 0.000 2.572 914 A HA 0.732 5.051 4.320 -0.000 0.000 0.295 914 A C -1.913 175.816 177.584 0.241 0.000 1.072 914 A CA -0.841 51.298 52.037 0.170 0.000 0.691 914 A CB 1.394 20.495 19.000 0.169 0.000 1.291 914 A HN 0.255 nan 8.150 nan 0.000 0.404 915 F N 1.596 121.609 119.950 0.106 0.000 2.671 915 F HA 0.654 5.181 4.527 -0.000 0.000 0.332 915 F C -0.009 175.867 175.800 0.126 0.000 1.189 915 F CA -0.233 57.837 58.000 0.116 0.000 0.988 915 F CB 1.332 40.374 39.000 0.070 0.000 1.258 915 F HN 0.892 nan 8.300 nan 0.000 0.471 916 A N 4.913 127.542 122.820 -0.318 0.000 2.289 916 A HA 0.503 4.823 4.320 -0.000 0.000 0.298 916 A C 0.609 177.917 177.584 -0.460 0.000 1.208 916 A CA -0.457 51.435 52.037 -0.241 0.000 0.845 916 A CB 0.804 19.725 19.000 -0.132 0.000 1.125 916 A HN 0.859 nan 8.150 nan 0.000 0.517 917 V N 2.810 122.652 119.914 -0.119 0.000 3.026 917 V HA -0.186 3.934 4.120 -0.000 0.000 0.265 917 V C 2.204 178.273 176.094 -0.041 0.000 1.121 917 V CA 2.254 64.555 62.300 0.001 0.000 1.142 917 V CB -1.128 30.783 31.823 0.147 0.000 0.730 917 V HN 0.866 nan 8.190 nan 0.000 0.503 918 S N 0.319 115.976 115.700 -0.072 0.000 2.399 918 S HA -0.136 4.333 4.470 -0.000 0.000 0.231 918 S C 2.032 176.614 174.600 -0.030 0.000 1.022 918 S CA 1.316 59.502 58.200 -0.023 0.000 0.983 918 S CB -0.240 62.941 63.200 -0.032 0.000 0.803 918 S HN 0.474 nan 8.310 nan 0.000 0.480 919 V N 2.253 122.086 119.914 -0.135 0.000 2.469 919 V HA -0.149 3.970 4.120 -0.000 0.000 0.251 919 V C 2.025 178.170 176.094 0.084 0.000 1.064 919 V CA 1.369 63.628 62.300 -0.068 0.000 1.066 919 V CB -0.797 30.893 31.823 -0.222 0.000 0.667 919 V HN 0.471 nan 8.190 nan 0.000 0.461 920 L N -0.356 120.878 121.223 0.019 0.000 2.275 920 L HA -0.122 4.218 4.340 -0.000 0.000 0.215 920 L C 2.095 179.031 176.870 0.111 0.000 1.119 920 L CA 1.015 55.901 54.840 0.077 0.000 0.790 920 L CB -0.565 41.542 42.059 0.080 0.000 0.919 920 L HN 0.339 nan 8.230 nan 0.000 0.443 921 D N -0.729 119.744 120.400 0.123 0.000 2.234 921 D HA -0.084 4.556 4.640 -0.000 0.000 0.205 921 D C 2.354 178.801 176.300 0.245 0.000 0.962 921 D CA 0.843 54.945 54.000 0.170 0.000 0.855 921 D CB 0.189 41.087 40.800 0.164 0.000 0.951 921 D HN 0.106 nan 8.370 nan 0.000 0.500 922 S N 0.659 116.501 115.700 0.237 0.000 2.402 922 S HA -0.094 4.375 4.470 -0.000 0.000 0.229 922 S C 1.783 176.587 174.600 0.339 0.000 1.021 922 S CA 0.214 58.584 58.200 0.283 0.000 0.974 922 S CB -0.042 63.309 63.200 0.251 0.000 0.800 922 S HN 0.152 nan 8.310 nan 0.000 0.484 923 L N 1.199 122.582 121.223 0.267 0.000 2.201 923 L HA 0.103 4.443 4.340 -0.000 0.000 0.212 923 L C 2.069 178.997 176.870 0.097 0.000 1.105 923 L CA 1.319 56.151 54.840 -0.014 0.000 0.775 923 L CB -0.644 41.231 42.059 -0.306 0.000 0.913 923 L HN 0.255 nan 8.230 nan 0.000 0.440 924 M N -0.800 118.908 119.600 0.180 0.000 2.080 924 M HA -0.216 4.264 4.480 -0.000 0.000 0.260 924 M C 2.445 178.958 176.300 0.355 0.000 1.068 924 M CA 2.411 57.839 55.300 0.213 0.000 1.109 924 M CB -0.543 32.179 32.600 0.204 0.000 1.342 924 M HN 0.473 nan 8.290 nan 0.000 0.405 925 S N -0.291 115.717 115.700 0.514 0.000 2.406 925 S HA 0.171 4.641 4.470 -0.000 0.000 0.224 925 S C 2.181 177.173 174.600 0.654 0.000 1.030 925 S CA 0.591 59.229 58.200 0.730 0.000 0.958 925 S CB -1.167 62.507 63.200 0.790 0.000 0.811 925 S HN 0.560 nan 8.310 nan 0.000 0.489 926 A N 1.695 124.761 122.820 0.409 0.000 2.032 926 A HA -0.080 4.240 4.320 -0.000 0.000 0.221 926 A C 2.308 180.058 177.584 0.277 0.000 1.165 926 A CA 2.219 54.434 52.037 0.296 0.000 0.645 926 A CB -1.606 17.530 19.000 0.226 0.000 0.807 926 A HN 0.592 nan 8.150 nan 0.000 0.453 927 T N -1.981 112.719 114.554 0.243 0.000 2.851 927 T HA -0.094 4.255 4.350 -0.000 0.000 0.262 927 T C 1.740 176.555 174.700 0.192 0.000 1.043 927 T CA 1.316 63.513 62.100 0.160 0.000 1.140 927 T CB -0.402 68.524 68.868 0.097 0.000 0.872 927 T HN 0.628 nan 8.240 nan 0.000 0.446 928 Y N 1.067 121.468 120.300 0.169 0.000 2.298 928 Y HA -0.170 4.380 4.550 -0.000 0.000 0.287 928 Y C 1.448 177.291 175.900 -0.095 0.000 1.164 928 Y CA 1.106 59.227 58.100 0.035 0.000 1.229 928 Y CB -0.543 37.961 38.460 0.072 0.000 0.977 928 Y HN 0.235 nan 8.280 nan 0.000 0.538 929 F N -0.621 119.293 119.950 -0.061 0.000 2.317 929 F HA 0.115 4.641 4.527 -0.000 0.000 0.290 929 F C 0.788 176.512 175.800 -0.127 0.000 1.075 929 F CA 0.684 58.576 58.000 -0.180 0.000 1.380 929 F CB -0.007 38.965 39.000 -0.047 0.000 1.093 929 F HN -0.082 nan 8.300 nan 0.000 0.524 930 N N 0.383 119.160 118.700 0.129 0.000 2.609 930 N HA 0.072 4.812 4.740 -0.000 0.000 0.268 930 N C -0.201 175.336 175.510 0.046 0.000 1.106 930 N CA -0.209 52.878 53.050 0.063 0.000 0.823 930 N CB 0.584 39.113 38.487 0.069 0.000 1.263 930 N HN 0.077 nan 8.380 nan 0.000 0.533 931 D N 1.861 122.269 120.400 0.013 0.000 2.221 931 D HA -0.154 4.486 4.640 -0.000 0.000 0.204 931 D C 0.919 177.239 176.300 0.033 0.000 0.982 931 D CA 1.088 55.093 54.000 0.008 0.000 0.857 931 D CB 0.125 40.916 40.800 -0.016 0.000 0.934 931 D HN 0.334 nan 8.370 nan 0.000 0.475 932 N N 0.390 119.127 118.700 0.061 0.000 2.120 932 N HA -0.122 4.618 4.740 -0.000 0.000 0.188 932 N C 1.750 177.392 175.510 0.220 0.000 1.024 932 N CA 0.656 53.797 53.050 0.152 0.000 0.852 932 N CB -0.301 38.239 38.487 0.089 0.000 1.003 932 N HN 0.209 nan 8.380 nan 0.000 0.424 933 I N 1.232 121.891 120.570 0.148 0.000 2.185 933 I HA -0.243 3.926 4.170 -0.000 0.000 0.246 933 I C 2.223 178.343 176.117 0.006 0.000 1.088 933 I CA 0.786 62.147 61.300 0.103 0.000 1.347 933 I CB -0.573 37.459 38.000 0.053 0.000 1.041 933 I HN 0.119 nan 8.210 nan 0.000 0.415 934 L N 0.047 121.258 121.223 -0.020 0.000 2.044 934 L HA -0.164 4.175 4.340 -0.000 0.000 0.205 934 L C 2.700 179.528 176.870 -0.069 0.000 1.075 934 L CA 2.425 57.223 54.840 -0.069 0.000 0.747 934 L CB -1.270 40.748 42.059 -0.067 0.000 0.903 934 L HN 0.490 nan 8.230 nan 0.000 0.435 935 T N -2.472 112.057 114.554 -0.042 0.000 2.929 935 T HA -0.178 4.171 4.350 -0.000 0.000 0.271 935 T C 1.928 176.546 174.700 -0.137 0.000 1.085 935 T CA 1.267 63.330 62.100 -0.062 0.000 1.125 935 T CB -0.572 68.296 68.868 -0.001 0.000 0.874 935 T HN 0.255 nan 8.240 nan 0.000 0.494 936 L N 0.341 121.457 121.223 -0.178 0.000 2.127 936 L HA 0.134 4.474 4.340 -0.000 0.000 0.203 936 L C 2.379 179.107 176.870 -0.237 0.000 1.080 936 L CA 1.279 55.902 54.840 -0.361 0.000 0.768 936 L CB -0.810 40.966 42.059 -0.472 0.000 0.924 936 L HN 0.207 nan 8.230 nan 0.000 0.444 937 I N 0.248 120.729 120.570 -0.149 0.000 2.226 937 I HA -0.278 3.892 4.170 -0.000 0.000 0.245 937 I C 2.731 178.765 176.117 -0.137 0.000 1.100 937 I CA 1.137 62.362 61.300 -0.125 0.000 1.374 937 I CB -0.919 37.037 38.000 -0.074 0.000 1.057 937 I HN 0.327 nan 8.210 nan 0.000 0.413 938 R N 0.249 120.686 120.500 -0.104 0.000 2.082 938 R HA -0.127 4.213 4.340 -0.000 0.000 0.228 938 R C 2.219 178.457 176.300 -0.104 0.000 1.140 938 R CA 2.084 58.136 56.100 -0.080 0.000 0.920 938 R CB -0.964 29.304 30.300 -0.053 0.000 0.828 938 R HN 0.251 nan 8.270 nan 0.000 0.430 939 T N 1.854 116.334 114.554 -0.123 0.000 2.792 939 T HA -0.192 4.158 4.350 -0.000 0.000 0.268 939 T C 1.713 176.316 174.700 -0.162 0.000 1.059 939 T CA 1.227 63.242 62.100 -0.141 0.000 1.136 939 T CB -0.127 68.629 68.868 -0.187 0.000 0.846 939 T HN 0.176 nan 8.240 nan 0.000 0.489 940 L N -0.240 120.869 121.223 -0.190 0.000 2.168 940 L HA 0.166 4.506 4.340 -0.000 0.000 0.203 940 L C 2.283 179.042 176.870 -0.185 0.000 1.078 940 L CA 0.799 55.516 54.840 -0.204 0.000 0.780 940 L CB 0.028 41.942 42.059 -0.242 0.000 0.939 940 L HN 0.087 nan 8.230 nan 0.000 0.451 941 V N -1.826 117.960 119.914 -0.212 0.000 3.590 941 V HA -0.036 4.083 4.120 -0.000 0.000 0.265 941 V C 1.797 177.811 176.094 -0.135 0.000 1.239 941 V CA 1.410 63.562 62.300 -0.245 0.000 1.117 941 V CB 0.668 32.213 31.823 -0.464 0.000 0.818 941 V HN 0.463 nan 8.190 nan 0.000 0.451 942 T N -1.973 112.532 114.554 -0.082 0.000 3.058 942 T HA 0.432 4.782 4.350 -0.000 0.000 0.278 942 T C 1.092 175.828 174.700 0.060 0.000 0.974 942 T CA 1.198 63.278 62.100 -0.034 0.000 0.893 942 T CB 0.325 69.168 68.868 -0.042 0.000 1.138 942 T HN 0.703 nan 8.240 nan 0.000 0.529 943 G N 0.489 109.320 108.800 0.051 0.000 3.922 943 G HA2 0.184 4.144 3.960 -0.000 0.000 0.208 943 G HA3 0.184 4.144 3.960 -0.000 0.000 0.208 943 G C 0.816 175.706 174.900 -0.017 0.000 1.491 943 G CA 0.166 45.323 45.100 0.096 0.000 1.017 943 G HN 1.566 nan 8.290 nan 0.000 0.603 944 G N -1.631 107.194 108.800 0.042 0.000 2.334 944 G HA2 0.550 4.509 3.960 -0.000 0.000 0.249 944 G HA3 0.550 4.509 3.960 -0.000 0.000 0.249 944 G C 0.910 175.834 174.900 0.040 0.000 1.327 944 G CA 1.798 46.887 45.100 -0.018 0.000 0.979 944 G HN 2.351 nan 8.290 nan 0.000 0.471 945 A N -1.272 121.548 122.820 -0.001 0.000 2.715 945 A HA -0.055 4.265 4.320 -0.000 0.000 0.301 945 A C 2.216 179.879 177.584 0.132 0.000 1.515 945 A CA 2.998 55.063 52.037 0.048 0.000 0.816 945 A CB -2.378 16.638 19.000 0.028 0.000 1.004 945 A HN 2.730 nan 8.150 nan 0.000 0.483 946 T N -2.075 112.560 114.554 0.135 0.000 2.759 946 T HA -0.122 4.227 4.350 -0.000 0.000 0.269 946 T C 0.151 175.018 174.700 0.278 0.000 1.042 946 T CA 1.508 63.727 62.100 0.198 0.000 1.140 946 T CB -1.247 67.700 68.868 0.130 0.000 0.864 946 T HN 0.585 nan 8.240 nan 0.000 0.455 947 P HA 0.012 nan 4.420 nan 0.000 0.214 947 P C 1.638 179.068 177.300 0.216 0.000 1.162 947 P CA 1.516 64.834 63.100 0.363 0.000 0.871 947 P CB -0.005 31.879 31.700 0.307 0.000 0.783 948 E N 0.641 120.932 120.200 0.151 0.000 2.012 948 E HA -0.170 4.179 4.350 -0.000 0.000 0.197 948 E C 2.029 178.704 176.600 0.124 0.000 1.007 948 E CA 1.361 57.824 56.400 0.105 0.000 0.816 948 E CB -1.451 28.298 29.700 0.081 0.000 0.762 948 E HN -0.057 nan 8.360 nan 0.000 0.451 949 L N 1.317 122.640 121.223 0.166 0.000 2.129 949 L HA -0.154 4.186 4.340 -0.000 0.000 0.212 949 L C 2.525 179.522 176.870 0.212 0.000 1.087 949 L CA 2.156 57.114 54.840 0.196 0.000 0.757 949 L CB -0.918 41.296 42.059 0.257 0.000 0.896 949 L HN 0.363 nan 8.230 nan 0.000 0.434 950 E N -0.582 119.752 120.200 0.223 0.000 2.204 950 E HA -0.195 4.154 4.350 -0.000 0.000 0.195 950 E C 2.111 178.732 176.600 0.034 0.000 0.990 950 E CA 0.986 57.450 56.400 0.107 0.000 0.821 950 E CB 0.068 29.858 29.700 0.150 0.000 0.750 950 E HN 0.500 nan 8.360 nan 0.000 0.477 951 A N 0.866 123.718 122.820 0.053 0.000 2.044 951 A HA 0.022 4.342 4.320 -0.000 0.000 0.213 951 A C 2.021 179.610 177.584 0.007 0.000 1.169 951 A CA 0.088 52.129 52.037 0.005 0.000 0.724 951 A CB -0.223 18.771 19.000 -0.010 0.000 0.840 951 A HN 0.376 nan 8.150 nan 0.000 0.463 952 L N -0.492 120.754 121.223 0.039 0.000 2.141 952 L HA -0.051 4.289 4.340 -0.000 0.000 0.209 952 L C 1.983 178.876 176.870 0.037 0.000 1.094 952 L CA 1.660 56.522 54.840 0.036 0.000 0.763 952 L CB -0.640 41.452 42.059 0.055 0.000 0.908 952 L HN 0.316 nan 8.230 nan 0.000 0.437 953 I N 0.731 121.337 120.570 0.061 0.000 2.676 953 I HA -0.101 4.069 4.170 -0.000 0.000 0.259 953 I C 2.469 178.595 176.117 0.015 0.000 1.194 953 I CA 1.071 62.411 61.300 0.068 0.000 1.473 953 I CB -0.555 37.527 38.000 0.136 0.000 1.096 953 I HN 0.231 nan 8.210 nan 0.000 0.443 954 A N -0.520 122.287 122.820 -0.022 0.000 2.248 954 A HA -0.071 4.249 4.320 -0.000 0.000 0.210 954 A C 2.032 179.587 177.584 -0.049 0.000 1.174 954 A CA 1.027 53.026 52.037 -0.064 0.000 0.750 954 A CB -0.399 18.540 19.000 -0.101 0.000 0.780 954 A HN 0.355 nan 8.150 nan 0.000 0.478 955 E N -0.431 119.755 120.200 -0.023 0.000 2.175 955 E HA -0.041 4.309 4.350 -0.000 0.000 0.195 955 E C 1.560 178.152 176.600 -0.013 0.000 0.934 955 E CA 1.366 57.754 56.400 -0.020 0.000 0.870 955 E CB 0.034 29.727 29.700 -0.013 0.000 0.838 955 E HN 0.977 nan 8.360 nan 0.000 0.474 956 E N -0.677 119.521 120.200 -0.004 0.000 2.555 956 E HA 0.086 4.435 4.350 -0.000 0.000 0.209 956 E C -0.395 176.205 176.600 -0.000 0.000 0.847 956 E CA 0.003 56.403 56.400 -0.001 0.000 1.438 956 E CB 0.082 29.786 29.700 0.007 0.000 1.420 956 E HN -0.078 nan 8.360 nan 0.000 0.755 957 N N 0.848 119.557 118.700 0.014 0.000 2.806 957 N HA -0.084 4.656 4.740 -0.000 0.000 0.248 957 N C -0.931 174.591 175.510 0.021 0.000 1.081 957 N CA 0.857 53.919 53.050 0.019 0.000 0.680 957 N CB -1.115 37.351 38.487 -0.035 0.000 0.941 957 N HN 0.604 nan 8.380 nan 0.000 0.554 958 A N -0.831 122.015 122.820 0.043 0.000 2.515 958 A HA 0.619 4.939 4.320 -0.000 0.000 0.292 958 A C -1.199 176.416 177.584 0.050 0.000 1.065 958 A CA -0.906 51.157 52.037 0.042 0.000 0.641 958 A CB 0.722 19.758 19.000 0.060 0.000 1.306 958 A HN 0.129 nan 8.150 nan 0.000 0.441 959 L N 1.764 123.015 121.223 0.046 0.000 2.418 959 L HA 0.220 4.560 4.340 -0.000 0.000 0.274 959 L C 1.694 178.549 176.870 -0.025 0.000 1.135 959 L CA -0.659 54.209 54.840 0.046 0.000 0.870 959 L CB 0.490 42.609 42.059 0.099 0.000 1.154 959 L HN 0.765 nan 8.230 nan 0.000 0.462 960 R N 2.729 123.172 120.500 -0.094 0.000 2.316 960 R HA -0.043 4.297 4.340 -0.000 0.000 0.232 960 R C 0.727 176.780 176.300 -0.412 0.000 1.137 960 R CA 0.688 56.687 56.100 -0.169 0.000 1.012 960 R CB -0.554 29.674 30.300 -0.119 0.000 0.859 960 R HN 0.968 nan 8.270 nan 0.000 0.474 961 G N -1.415 106.893 108.800 -0.819 0.000 2.722 961 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.686 961 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.686 961 G C -0.172 174.141 174.900 -0.978 0.000 1.282 961 G CA -0.393 43.669 45.100 -1.730 0.000 0.817 961 G HN 0.499 nan 8.290 nan 0.000 0.605 962 G N -0.403 107.854 108.800 -0.904 0.000 2.473 962 G HA2 0.709 4.668 3.960 -0.000 0.000 0.321 962 G HA3 0.709 4.668 3.960 -0.000 0.000 0.321 962 G C -1.628 173.117 174.900 -0.259 0.000 1.200 962 G CA -0.746 44.143 45.100 -0.352 0.000 0.963 962 G HN 0.881 nan 8.290 nan 0.000 0.483 963 Y N 1.400 121.649 120.300 -0.086 0.000 2.349 963 Y HA 0.384 4.934 4.550 -0.000 0.000 0.324 963 Y C 0.717 176.621 175.900 0.006 0.000 1.005 963 Y CA -1.623 56.450 58.100 -0.046 0.000 1.240 963 Y CB 1.586 40.015 38.460 -0.052 0.000 1.117 963 Y HN 0.629 nan 8.280 nan 0.000 0.463 964 S N 2.039 117.874 115.700 0.225 0.000 2.525 964 S HA 0.449 4.919 4.470 -0.000 0.000 0.285 964 S C 0.329 175.008 174.600 0.132 0.000 1.283 964 S CA -0.283 58.029 58.200 0.186 0.000 1.072 964 S CB 0.556 63.829 63.200 0.121 0.000 0.867 964 S HN 0.660 nan 8.310 nan 0.000 0.492 965 T N -1.385 113.238 114.554 0.116 0.000 2.916 965 T HA 0.597 4.946 4.350 -0.000 0.000 0.292 965 T C -2.441 172.302 174.700 0.072 0.000 1.064 965 T CA -2.090 60.047 62.100 0.061 0.000 1.011 965 T CB 1.645 70.536 68.868 0.037 0.000 1.152 965 T HN 0.307 nan 8.240 nan 0.000 0.510 966 P HA -0.063 nan 4.420 nan 0.000 0.228 966 P C 0.947 178.281 177.300 0.056 0.000 1.151 966 P CA 0.950 64.082 63.100 0.053 0.000 0.770 966 P CB 0.207 31.925 31.700 0.030 0.000 0.786 967 Q N -0.349 119.480 119.800 0.048 0.000 2.134 967 Q HA -0.038 4.301 4.340 -0.000 0.000 0.195 967 Q C 2.352 178.405 176.000 0.089 0.000 0.958 967 Q CA 1.861 57.696 55.803 0.054 0.000 0.840 967 Q CB -0.841 27.905 28.738 0.014 0.000 0.918 967 Q HN 0.316 nan 8.270 nan 0.000 0.467 968 T N -0.368 114.229 114.554 0.071 0.000 2.915 968 T HA -0.027 4.323 4.350 -0.000 0.000 0.269 968 T C 1.862 176.564 174.700 0.004 0.000 1.071 968 T CA 0.642 62.767 62.100 0.042 0.000 1.132 968 T CB -0.266 68.649 68.868 0.078 0.000 0.878 968 T HN 0.122 nan 8.240 nan 0.000 0.479 969 L N 0.512 121.778 121.223 0.071 0.000 2.291 969 L HA 0.222 4.562 4.340 -0.000 0.000 0.214 969 L C 3.065 179.952 176.870 0.028 0.000 1.120 969 L CA 0.852 55.737 54.840 0.075 0.000 0.799 969 L CB -0.547 41.608 42.059 0.161 0.000 0.925 969 L HN 0.391 nan 8.230 nan 0.000 0.446 970 A N -0.670 122.178 122.820 0.046 0.000 2.178 970 A HA -0.023 4.297 4.320 -0.000 0.000 0.211 970 A C 1.812 179.368 177.584 -0.046 0.000 1.157 970 A CA 0.477 52.545 52.037 0.053 0.000 0.780 970 A CB -0.242 18.841 19.000 0.138 0.000 0.828 970 A HN 0.301 nan 8.150 nan 0.000 0.476 971 N N 0.560 119.194 118.700 -0.110 0.000 2.463 971 N HA -0.065 4.675 4.740 -0.000 0.000 0.181 971 N C 1.477 176.774 175.510 -0.355 0.000 1.078 971 N CA 0.880 53.788 53.050 -0.236 0.000 0.902 971 N CB -0.089 38.275 38.487 -0.206 0.000 0.970 971 N HN 0.739 nan 8.380 nan 0.000 0.451 972 R N -0.759 119.483 120.500 -0.430 0.000 2.317 972 R HA 0.190 4.529 4.340 -0.000 0.000 0.208 972 R C 0.073 175.895 176.300 -0.796 0.000 0.914 972 R CA 0.095 55.765 56.100 -0.717 0.000 1.060 972 R CB 0.060 29.785 30.300 -0.959 0.000 1.015 972 R HN -0.148 nan 8.270 nan 0.000 0.498 973 D N 2.850 123.047 120.400 -0.337 0.000 2.934 973 D HA 0.024 4.664 4.640 -0.000 0.000 0.237 973 D C -0.535 175.724 176.300 -0.068 0.000 1.158 973 D CA -0.104 53.888 54.000 -0.014 0.000 0.971 973 D CB 0.079 40.936 40.800 0.094 0.000 1.123 973 D HN 0.377 nan 8.370 nan 0.000 0.467 974 R N -0.936 119.463 120.500 -0.168 0.000 2.744 974 R HA 0.512 4.852 4.340 -0.000 0.000 0.279 974 R C -0.331 175.880 176.300 -0.149 0.000 0.977 974 R CA -0.742 55.265 56.100 -0.154 0.000 0.906 974 R CB 0.237 30.405 30.300 -0.219 0.000 1.197 974 R HN -0.093 nan 8.270 nan 0.000 0.463 975 C N 1.473 120.697 119.300 -0.127 0.000 2.775 975 C HA 0.253 4.713 4.460 -0.000 0.000 0.391 975 C C 0.601 175.494 174.990 -0.163 0.000 1.295 975 C CA -0.012 58.934 59.018 -0.120 0.000 2.119 975 C CB -0.412 27.260 27.740 -0.114 0.000 2.705 975 C HN 0.984 nan 8.230 nan 0.000 0.710 976 R N -0.171 120.240 120.500 -0.148 0.000 2.739 976 R HA 0.728 5.068 4.340 -0.000 0.000 0.271 976 R C -1.980 174.288 176.300 -0.053 0.000 1.010 976 R CA -0.765 55.232 56.100 -0.171 0.000 0.897 976 R CB 0.630 30.691 30.300 -0.399 0.000 1.236 976 R HN 0.360 nan 8.270 nan 0.000 0.466 977 V N 0.910 120.836 119.914 0.020 0.000 2.649 977 V HA 0.684 4.804 4.120 -0.000 0.000 0.292 977 V C 0.221 176.401 176.094 0.144 0.000 1.055 977 V CA 0.496 62.878 62.300 0.136 0.000 1.023 977 V CB 1.011 32.929 31.823 0.160 0.000 0.992 977 V HN 0.984 nan 8.190 nan 0.000 0.480 978 A N 4.001 126.924 122.820 0.171 0.000 2.581 978 A HA 0.833 5.153 4.320 -0.000 0.000 0.290 978 A C -1.028 176.575 177.584 0.032 0.000 1.119 978 A CA -0.631 51.464 52.037 0.097 0.000 0.670 978 A CB 2.053 21.085 19.000 0.053 0.000 1.280 978 A HN 0.647 nan 8.150 nan 0.000 0.425 979 Q N 0.515 120.283 119.800 -0.053 0.000 2.526 979 Q HA 0.508 4.848 4.340 -0.000 0.000 0.238 979 Q C -2.158 173.761 176.000 -0.135 0.000 0.866 979 Q CA -0.381 55.304 55.803 -0.196 0.000 0.801 979 Q CB 0.866 29.408 28.738 -0.327 0.000 1.380 979 Q HN 0.658 nan 8.270 nan 0.000 0.446 980 L N 1.598 122.757 121.223 -0.108 0.000 2.322 980 L HA 0.908 5.248 4.340 -0.000 0.000 0.279 980 L C 0.203 177.040 176.870 -0.055 0.000 1.036 980 L CA -0.579 54.222 54.840 -0.065 0.000 0.807 980 L CB 1.278 43.310 42.059 -0.044 0.000 1.226 980 L HN 0.515 nan 8.230 nan 0.000 0.433 981 A N 2.275 125.070 122.820 -0.041 0.000 2.252 981 A HA 0.728 5.048 4.320 -0.000 0.000 0.305 981 A C 0.823 178.406 177.584 -0.001 0.000 1.097 981 A CA -0.424 51.598 52.037 -0.025 0.000 0.849 981 A CB 0.543 19.528 19.000 -0.025 0.000 1.142 981 A HN 0.856 nan 8.150 nan 0.000 0.499 982 L N -0.187 121.043 121.223 0.013 0.000 2.316 982 L HA 0.016 4.356 4.340 -0.000 0.000 0.207 982 L C 1.833 178.712 176.870 0.016 0.000 1.070 982 L CA 0.376 55.240 54.840 0.039 0.000 0.820 982 L CB -0.619 41.474 42.059 0.056 0.000 0.992 982 L HN 0.688 nan 8.230 nan 0.000 0.466 983 L N -0.197 121.028 121.223 0.002 0.000 2.129 983 L HA -0.207 4.133 4.340 -0.000 0.000 0.212 983 L C 1.079 177.943 176.870 -0.011 0.000 1.087 983 L CA 1.632 56.470 54.840 -0.004 0.000 0.757 983 L CB -0.732 41.322 42.059 -0.009 0.000 0.896 983 L HN 0.258 nan 8.230 nan 0.000 0.434 984 D N -0.246 120.143 120.400 -0.018 0.000 2.615 984 D HA 0.357 4.997 4.640 -0.000 0.000 0.236 984 D C 0.788 177.060 176.300 -0.047 0.000 1.233 984 D CA 0.428 54.411 54.000 -0.027 0.000 0.829 984 D CB 0.745 41.531 40.800 -0.024 0.000 1.024 984 D HN 0.360 nan 8.370 nan 0.000 0.490 985 G N 1.004 109.771 108.800 -0.055 0.000 2.975 985 G HA2 0.394 4.354 3.960 -0.000 0.000 0.291 985 G HA3 0.394 4.354 3.960 -0.000 0.000 0.291 985 G C -2.161 172.669 174.900 -0.117 0.000 1.334 985 G CA -0.682 44.353 45.100 -0.109 0.000 0.843 985 G HN -0.239 nan 8.290 nan 0.000 0.548 986 P HA 0.174 nan 4.420 nan 0.000 0.221 986 P C 0.678 177.921 177.300 -0.096 0.000 1.155 986 P CA 0.507 63.477 63.100 -0.216 0.000 0.812 986 P CB 0.157 31.625 31.700 -0.388 0.000 0.801 987 F N -0.507 119.429 119.950 -0.024 0.000 2.869 987 F HA 0.277 4.803 4.527 -0.000 0.000 0.298 987 F C 1.727 177.518 175.800 -0.014 0.000 1.235 987 F CA -0.727 57.264 58.000 -0.015 0.000 1.402 987 F CB -0.204 38.775 39.000 -0.036 0.000 1.142 987 F HN -0.028 nan 8.300 nan 0.000 0.529 988 A N 0.618 123.520 122.820 0.136 0.000 1.871 988 A HA -0.124 4.195 4.320 -0.000 0.000 0.211 988 A C 2.185 179.810 177.584 0.067 0.000 1.207 988 A CA 1.055 53.137 52.037 0.076 0.000 0.620 988 A CB -0.436 18.586 19.000 0.036 0.000 0.860 988 A HN 0.501 nan 8.150 nan 0.000 0.450 989 D N -0.061 120.382 120.400 0.071 0.000 2.265 989 D HA -0.143 4.496 4.640 -0.000 0.000 0.208 989 D C 1.504 177.835 176.300 0.051 0.000 0.977 989 D CA 0.795 54.827 54.000 0.054 0.000 0.871 989 D CB -0.193 40.640 40.800 0.055 0.000 0.925 989 D HN 0.311 nan 8.370 nan 0.000 0.485 990 L N 0.803 122.066 121.223 0.066 0.000 2.477 990 L HA 0.193 4.533 4.340 -0.000 0.000 0.220 990 L C 2.199 179.081 176.870 0.020 0.000 1.106 990 L CA 0.899 55.761 54.840 0.036 0.000 0.851 990 L CB -0.360 41.709 42.059 0.018 0.000 0.994 990 L HN 0.103 nan 8.230 nan 0.000 0.462 991 G N -1.229 107.592 108.800 0.034 0.000 2.777 991 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.211 991 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.211 991 G C 1.123 176.027 174.900 0.006 0.000 1.149 991 G CA 0.429 45.542 45.100 0.021 0.000 0.785 991 G HN 0.361 nan 8.290 nan 0.000 0.536 992 D N -0.205 120.201 120.400 0.010 0.000 2.183 992 D HA 0.100 4.740 4.640 -0.000 0.000 0.205 992 D C 2.374 178.672 176.300 -0.003 0.000 0.962 992 D CA 1.208 55.210 54.000 0.002 0.000 0.849 992 D CB 0.026 40.831 40.800 0.009 0.000 0.978 992 D HN 0.185 nan 8.370 nan 0.000 0.488 993 G N -0.947 107.854 108.800 0.001 0.000 2.670 993 G HA2 0.479 4.439 3.960 -0.000 0.000 0.219 993 G HA3 0.479 4.439 3.960 -0.000 0.000 0.219 993 G C 0.700 175.592 174.900 -0.014 0.000 1.342 993 G CA 0.486 45.585 45.100 -0.001 0.000 0.902 993 G HN 0.578 nan 8.290 nan 0.000 0.553 994 G N -2.618 106.176 108.800 -0.010 0.000 2.455 994 G HA2 0.347 4.306 3.960 -0.000 0.000 0.223 994 G HA3 0.347 4.306 3.960 -0.000 0.000 0.223 994 G C -0.539 174.361 174.900 0.000 0.000 1.226 994 G CA 0.368 45.456 45.100 -0.020 0.000 0.948 994 G HN 1.299 nan 8.290 nan 0.000 0.478 995 C N -0.404 118.909 119.300 0.021 0.000 3.547 995 C HA -0.177 4.283 4.460 -0.000 0.000 0.299 995 C C 1.478 176.457 174.990 -0.018 0.000 1.148 995 C CA 0.534 59.560 59.018 0.014 0.000 2.364 995 C CB -2.736 24.999 27.740 -0.007 0.000 1.453 995 C HN 1.341 nan 8.230 nan 0.000 0.549 996 Y N 1.385 121.675 120.300 -0.016 0.000 2.219 996 Y HA -0.172 4.377 4.550 -0.000 0.000 0.283 996 Y C 1.875 177.736 175.900 -0.065 0.000 1.191 996 Y CA 2.658 60.771 58.100 0.021 0.000 1.199 996 Y CB -0.303 38.270 38.460 0.189 0.000 0.972 996 Y HN 0.640 nan 8.280 nan 0.000 0.527 997 G N -0.181 108.479 108.800 -0.233 0.000 2.440 997 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.218 997 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.218 997 G C 1.358 175.899 174.900 -0.598 0.000 1.154 997 G CA 1.121 45.789 45.100 -0.720 0.000 0.767 997 G HN 0.422 nan 8.290 nan 0.000 0.552 998 D N -0.073 120.018 120.400 -0.515 0.000 2.219 998 D HA -0.053 4.587 4.640 -0.000 0.000 0.205 998 D C 2.349 178.540 176.300 -0.181 0.000 0.970 998 D CA 0.361 54.256 54.000 -0.175 0.000 0.851 998 D CB 0.049 40.803 40.800 -0.076 0.000 0.943 998 D HN 0.354 nan 8.370 nan 0.000 0.488 999 L N -0.525 120.526 121.223 -0.288 0.000 2.240 999 L HA -0.030 4.309 4.340 -0.000 0.000 0.211 999 L C 2.072 178.666 176.870 -0.459 0.000 1.106 999 L CA 0.556 55.145 54.840 -0.418 0.000 0.793 999 L CB -0.078 41.721 42.059 -0.433 0.000 0.927 999 L HN -0.131 nan 8.230 nan 0.000 0.446 1000 F N 0.831 120.433 119.950 -0.580 0.000 2.098 1000 F HA -0.231 4.296 4.527 -0.000 0.000 0.294 1000 F C 2.545 178.173 175.800 -0.286 0.000 1.107 1000 F CA 1.727 59.398 58.000 -0.548 0.000 1.234 1000 F CB -0.592 37.926 39.000 -0.802 0.000 1.002 1000 F HN 0.318 nan 8.300 nan 0.000 0.472 1001 C N 0.181 119.404 119.300 -0.130 0.000 2.539 1001 C HA 0.160 4.619 4.460 -0.000 0.000 0.271 1001 C C 2.232 177.157 174.990 -0.110 0.000 1.412 1001 C CA 0.029 58.982 59.018 -0.109 0.000 1.729 1001 C CB -1.279 26.572 27.740 0.185 0.000 1.739 1001 C HN 0.456 nan 8.230 nan 0.000 0.570 1002 K N 1.477 121.789 120.400 -0.146 0.000 2.334 1002 K HA 0.262 4.582 4.320 -0.000 0.000 0.195 1002 K C 1.781 178.362 176.600 -0.033 0.000 1.045 1002 K CA 1.086 57.323 56.287 -0.083 0.000 1.004 1002 K CB 0.040 32.490 32.500 -0.084 0.000 0.837 1002 K HN 0.486 nan 8.250 nan 0.000 0.510 1003 A N 0.795 123.526 122.820 -0.148 0.000 2.308 1003 A HA 0.187 4.506 4.320 -0.000 0.000 0.217 1003 A C 1.639 179.238 177.584 0.026 0.000 1.216 1003 A CA -0.135 51.965 52.037 0.104 0.000 0.864 1003 A CB 0.020 18.950 19.000 -0.116 0.000 0.902 1003 A HN 0.250 nan 8.150 nan 0.000 0.499 1004 L N -1.438 119.684 121.223 -0.168 0.000 2.316 1004 L HA 0.119 4.459 4.340 -0.000 0.000 0.207 1004 L C 2.156 178.982 176.870 -0.074 0.000 1.070 1004 L CA 0.642 55.373 54.840 -0.182 0.000 0.820 1004 L CB -0.033 41.797 42.059 -0.382 0.000 0.992 1004 L HN 0.286 nan 8.230 nan 0.000 0.466 1005 K N -0.918 119.439 120.400 -0.072 0.000 2.103 1005 K HA -0.049 4.271 4.320 -0.000 0.000 0.204 1005 K C 1.722 178.264 176.600 -0.096 0.000 1.052 1005 K CA 1.690 57.942 56.287 -0.057 0.000 0.945 1005 K CB 0.005 32.479 32.500 -0.043 0.000 0.722 1005 K HN 0.236 nan 8.250 nan 0.000 0.443 1006 T N -0.533 113.926 114.554 -0.158 0.000 3.035 1006 T HA 0.011 4.361 4.350 -0.000 0.000 0.259 1006 T C 0.744 175.047 174.700 -0.661 0.000 1.078 1006 T CA 0.818 62.644 62.100 -0.456 0.000 1.132 1006 T CB 0.062 68.538 68.868 -0.654 0.000 0.900 1006 T HN 0.222 nan 8.240 nan 0.000 0.480 1007 Y N -0.125 120.199 120.300 0.040 0.000 2.610 1007 Y HA 0.362 4.912 4.550 -0.000 0.000 0.254 1007 Y C 0.623 176.535 175.900 0.020 0.000 1.110 1007 Y CA -1.022 57.096 58.100 0.031 0.000 1.238 1007 Y CB 0.087 38.576 38.460 0.049 0.000 1.322 1007 Y HN -0.065 nan 8.280 nan 0.000 0.547 1008 N N 1.117 119.886 118.700 0.115 0.000 2.708 1008 N HA -0.202 4.538 4.740 -0.000 0.000 0.249 1008 N C -0.397 175.161 175.510 0.080 0.000 1.097 1008 N CA 1.467 54.563 53.050 0.077 0.000 0.710 1008 N CB -1.420 37.116 38.487 0.081 0.000 1.032 1008 N HN 0.626 nan 8.380 nan 0.000 0.551 1009 M N -1.590 118.070 119.600 0.099 0.000 2.180 1009 M HA 0.452 4.932 4.480 -0.000 0.000 0.350 1009 M C -0.158 176.144 176.300 0.004 0.000 1.125 1009 M CA -0.483 54.862 55.300 0.076 0.000 1.031 1009 M CB 1.792 34.453 32.600 0.103 0.000 1.623 1009 M HN 0.138 nan 8.290 nan 0.000 0.451 1010 L N 5.013 126.276 121.223 0.067 0.000 2.264 1010 L HA 0.493 4.832 4.340 -0.000 0.000 0.287 1010 L C -1.109 175.963 176.870 0.336 0.000 1.039 1010 L CA -0.591 54.315 54.840 0.110 0.000 0.829 1010 L CB 0.544 42.747 42.059 0.239 0.000 1.211 1010 L HN 0.984 nan 8.230 nan 0.000 0.427 1011 C N 4.811 124.298 119.300 0.312 0.000 2.601 1011 C HA 0.265 4.725 4.460 -0.000 0.000 0.409 1011 C C 0.838 176.155 174.990 0.544 0.000 1.293 1011 C CA -0.388 58.844 59.018 0.357 0.000 2.101 1011 C CB -0.239 27.604 27.740 0.170 0.000 2.639 1011 C HN 0.899 nan 8.230 nan 0.000 0.592 1012 F N -0.169 119.985 119.950 0.340 0.000 2.936 1012 F HA 0.598 5.124 4.527 -0.000 0.000 0.334 1012 F C 0.362 176.299 175.800 0.227 0.000 1.170 1012 F CA 0.063 58.215 58.000 0.253 0.000 1.104 1012 F CB -0.293 38.809 39.000 0.171 0.000 1.216 1012 F HN 0.701 nan 8.300 nan 0.000 0.518 1013 G N 0.770 109.545 108.800 -0.042 0.000 2.506 1013 G HA2 0.610 4.570 3.960 -0.000 0.000 0.292 1013 G HA3 0.610 4.570 3.960 -0.000 0.000 0.292 1013 G C -2.123 172.923 174.900 0.243 0.000 1.425 1013 G CA -0.822 44.316 45.100 0.064 0.000 0.788 1013 G HN 0.164 nan 8.290 nan 0.000 0.490 1014 I N -0.474 120.283 120.570 0.312 0.000 2.802 1014 I HA 0.388 4.558 4.170 -0.000 0.000 0.298 1014 I C -1.680 174.636 176.117 0.333 0.000 1.176 1014 I CA -0.804 60.633 61.300 0.229 0.000 1.025 1014 I CB 3.157 41.246 38.000 0.149 0.000 1.243 1014 I HN 0.612 nan 8.210 nan 0.000 0.424 1015 Y N 5.349 125.619 120.300 -0.049 0.000 2.787 1015 Y HA 0.450 5.000 4.550 -0.000 0.000 0.352 1015 Y C -0.109 175.671 175.900 -0.200 0.000 1.027 1015 Y CA -0.687 57.360 58.100 -0.087 0.000 1.219 1015 Y CB 0.500 38.819 38.460 -0.235 0.000 1.110 1015 Y HN 0.462 nan 8.280 nan 0.000 0.614 1016 R N 2.560 122.784 120.500 -0.461 0.000 2.549 1016 R HA 0.393 4.733 4.340 -0.000 0.000 0.267 1016 R C -0.690 175.257 176.300 -0.588 0.000 1.045 1016 R CA -0.979 54.835 56.100 -0.477 0.000 1.115 1016 R CB 0.987 31.049 30.300 -0.396 0.000 1.121 1016 R HN 0.390 nan 8.270 nan 0.000 0.543 1017 L N 2.373 123.396 121.223 -0.333 0.000 2.439 1017 L HA 0.083 4.423 4.340 -0.000 0.000 0.269 1017 L C 1.954 178.780 176.870 -0.073 0.000 1.179 1017 L CA 0.698 55.402 54.840 -0.227 0.000 0.828 1017 L CB 0.387 42.352 42.059 -0.157 0.000 1.106 1017 L HN 0.727 nan 8.230 nan 0.000 0.467 1018 R N 1.368 121.858 120.500 -0.017 0.000 2.075 1018 R HA -0.110 4.229 4.340 -0.000 0.000 0.230 1018 R C -0.262 176.004 176.300 -0.056 0.000 1.140 1018 R CA 1.209 57.341 56.100 0.053 0.000 0.928 1018 R CB 0.145 30.320 30.300 -0.208 0.000 0.834 1018 R HN 0.636 nan 8.270 nan 0.000 0.429 1019 D N -0.180 120.155 120.400 -0.108 0.000 2.441 1019 D HA 0.157 4.797 4.640 -0.000 0.000 0.243 1019 D C -0.189 176.007 176.300 -0.173 0.000 1.257 1019 D CA 0.440 54.355 54.000 -0.143 0.000 1.027 1019 D CB 1.345 42.094 40.800 -0.084 0.000 1.084 1019 D HN 0.409 nan 8.370 nan 0.000 0.514 1020 A N 1.984 124.628 122.820 -0.293 0.000 1.621 1020 A HA -0.004 4.316 4.320 -0.000 0.000 0.212 1020 A C 1.444 178.922 177.584 -0.177 0.000 1.760 1020 A CA -0.023 51.892 52.037 -0.203 0.000 1.251 1020 A CB -0.401 18.507 19.000 -0.155 0.000 1.168 1020 A HN 0.507 nan 8.150 nan 0.000 0.463 1021 H N -0.263 118.811 119.070 0.006 0.000 2.267 1021 H HA 0.262 4.818 4.556 -0.000 0.000 0.297 1021 H C 0.707 176.058 175.328 0.038 0.000 1.080 1021 H CA 1.530 57.573 56.048 -0.007 0.000 1.278 1021 H CB -0.244 29.525 29.762 0.011 0.000 1.365 1021 H HN 0.324 nan 8.280 nan 0.000 0.489 1022 L N -1.074 120.372 121.223 0.372 0.000 2.303 1022 L HA 0.303 4.643 4.340 -0.000 0.000 0.256 1022 L C 1.179 178.129 176.870 0.134 0.000 1.034 1022 L CA 0.276 55.264 54.840 0.247 0.000 0.832 1022 L CB 1.785 44.011 42.059 0.280 0.000 1.403 1022 L HN 0.596 nan 8.230 nan 0.000 0.419 1023 S N 0.259 116.016 115.700 0.094 0.000 2.691 1023 S HA -0.192 4.278 4.470 -0.000 0.000 0.262 1023 S C 0.461 175.080 174.600 0.032 0.000 1.284 1023 S CA 1.701 59.937 58.200 0.061 0.000 1.372 1023 S CB -1.049 62.192 63.200 0.069 0.000 1.693 1023 S HN 0.987 nan 8.310 nan 0.000 0.647 1024 T N 1.394 115.961 114.554 0.022 0.000 3.549 1024 T HA -0.142 4.207 4.350 -0.000 0.000 0.398 1024 T C -1.761 172.936 174.700 -0.005 0.000 0.766 1024 T CA 1.161 63.263 62.100 0.002 0.000 2.007 1024 T CB -1.555 67.317 68.868 0.007 0.000 1.727 1024 T HN 0.687 nan 8.240 nan 0.000 0.693 1025 P HA 0.404 nan 4.420 nan 0.000 0.275 1025 P C 0.197 177.484 177.300 -0.021 0.000 1.266 1025 P CA -0.690 62.402 63.100 -0.013 0.000 0.793 1025 P CB 0.442 32.131 31.700 -0.019 0.000 1.074 1026 S N 0.440 116.130 115.700 -0.017 0.000 2.549 1026 S HA -0.042 4.428 4.470 -0.000 0.000 0.286 1026 S C 1.442 176.023 174.600 -0.031 0.000 1.314 1026 S CA -0.461 57.727 58.200 -0.020 0.000 1.062 1026 S CB 0.237 63.428 63.200 -0.016 0.000 0.865 1026 S HN 0.520 nan 8.310 nan 0.000 0.498 1027 Q N 2.124 121.905 119.800 -0.032 0.000 2.156 1027 Q HA -0.235 4.105 4.340 -0.000 0.000 0.211 1027 Q C 1.483 177.454 176.000 -0.048 0.000 0.995 1027 Q CA 1.446 57.224 55.803 -0.042 0.000 0.877 1027 Q CB -2.189 26.528 28.738 -0.035 0.000 0.920 1027 Q HN 0.848 nan 8.270 nan 0.000 0.416 1028 C N -0.431 118.845 119.300 -0.040 0.000 0.168 1028 C HA -0.257 4.203 4.460 -0.000 0.000 0.017 1028 C C 1.757 176.718 174.990 -0.048 0.000 0.171 1028 C CA 1.789 60.781 59.018 -0.043 0.000 0.499 1028 C CB -1.607 26.103 27.740 -0.051 0.000 3.212 1028 C HN 0.820 nan 8.230 nan 0.000 1.118 1029 T N -1.273 113.246 114.554 -0.059 0.000 3.074 1029 T HA 0.081 4.430 4.350 -0.000 0.000 0.258 1029 T C -0.149 174.494 174.700 -0.096 0.000 0.891 1029 T CA -0.322 61.741 62.100 -0.062 0.000 0.867 1029 T CB 0.002 68.848 68.868 -0.037 0.000 1.261 1029 T HN 0.636 nan 8.240 nan 0.000 0.537 1030 K N 2.900 123.233 120.400 -0.112 0.000 2.569 1030 K HA 0.155 4.475 4.320 -0.000 0.000 0.280 1030 K C 0.057 176.520 176.600 -0.230 0.000 0.984 1030 K CA 0.818 57.010 56.287 -0.159 0.000 1.064 1030 K CB 0.418 32.806 32.500 -0.186 0.000 0.866 1030 K HN 0.424 nan 8.250 nan 0.000 0.492 1031 R N 2.058 122.364 120.500 -0.324 0.000 2.604 1031 R HA 0.295 4.635 4.340 -0.000 0.000 0.281 1031 R C -0.714 175.193 176.300 -0.654 0.000 1.020 1031 R CA -0.865 54.836 56.100 -0.665 0.000 0.899 1031 R CB 1.565 31.185 30.300 -1.133 0.000 1.205 1031 R HN 0.683 nan 8.270 nan 0.000 0.450 1032 Y N -1.339 118.633 120.300 -0.546 0.000 2.686 1032 Y HA 0.801 5.351 4.550 -0.000 0.000 0.330 1032 Y C -0.652 175.348 175.900 0.167 0.000 1.082 1032 Y CA -1.366 56.625 58.100 -0.183 0.000 1.158 1032 Y CB 0.869 39.225 38.460 -0.173 0.000 1.333 1032 Y HN 0.109 nan 8.280 nan 0.000 0.519 1033 V N 2.499 122.746 119.914 0.556 0.000 2.398 1033 V HA 0.342 4.462 4.120 -0.000 0.000 0.286 1033 V C -0.752 175.672 176.094 0.550 0.000 1.026 1033 V CA -0.556 62.079 62.300 0.560 0.000 0.868 1033 V CB 0.884 32.954 31.823 0.412 0.000 0.982 1033 V HN 0.559 nan 8.190 nan 0.000 0.443 1034 I N 4.110 124.889 120.570 0.348 0.000 2.428 1034 I HA 0.268 4.438 4.170 -0.000 0.000 0.279 1034 I C 0.581 176.736 176.117 0.065 0.000 1.040 1034 I CA 0.125 61.549 61.300 0.207 0.000 1.171 1034 I CB 1.702 39.786 38.000 0.139 0.000 1.312 1034 I HN 0.679 nan 8.210 nan 0.000 0.470 1035 T N 3.647 118.221 114.554 0.034 0.000 2.869 1035 T HA 0.219 4.569 4.350 -0.000 0.000 0.295 1035 T C 0.682 175.361 174.700 -0.035 0.000 0.987 1035 T CA -0.253 61.855 62.100 0.013 0.000 1.109 1035 T CB 0.198 69.089 68.868 0.038 0.000 0.932 1035 T HN 0.689 nan 8.240 nan 0.000 0.518 1036 N N 3.912 122.612 118.700 -0.000 0.000 2.650 1036 N HA -0.105 4.635 4.740 -0.000 0.000 0.272 1036 N C -2.494 172.948 175.510 -0.113 0.000 1.058 1036 N CA 0.350 53.405 53.050 0.009 0.000 0.765 1036 N CB -0.483 38.066 38.487 0.105 0.000 0.902 1036 N HN 0.556 nan 8.380 nan 0.000 0.551 1037 P HA 0.326 nan 4.420 nan 0.000 0.275 1037 P C -2.526 174.693 177.300 -0.134 0.000 1.266 1037 P CA -1.035 61.809 63.100 -0.426 0.000 0.793 1037 P CB 0.009 31.267 31.700 -0.736 0.000 1.074 1038 P HA 0.074 nan 4.420 nan 0.000 0.272 1038 P C 0.605 178.073 177.300 0.281 0.000 1.230 1038 P CA -0.068 63.082 63.100 0.084 0.000 0.788 1038 P CB 0.088 31.839 31.700 0.085 0.000 0.949 1039 Y N 1.953 122.312 120.300 0.099 0.000 2.274 1039 Y HA -0.192 4.358 4.550 -0.000 0.000 0.290 1039 Y C 1.597 177.649 175.900 0.253 0.000 1.145 1039 Y CA 1.662 59.876 58.100 0.190 0.000 1.203 1039 Y CB 0.006 38.457 38.460 -0.014 0.000 0.984 1039 Y HN 0.344 nan 8.280 nan 0.000 0.533 1040 E N -0.593 119.836 120.200 0.381 0.000 2.419 1040 E HA -0.030 4.320 4.350 -0.000 0.000 0.190 1040 E C -0.414 176.346 176.600 0.267 0.000 1.040 1040 E CA -0.408 56.169 56.400 0.295 0.000 0.900 1040 E CB -1.059 28.796 29.700 0.258 0.000 1.054 1040 E HN 0.342 nan 8.360 nan 0.000 0.462 1041 F N 3.166 123.202 119.950 0.144 0.000 2.506 1041 F HA 0.111 4.638 4.527 -0.000 0.000 0.371 1041 F C 0.679 176.554 175.800 0.124 0.000 1.078 1041 F CA -0.719 57.357 58.000 0.126 0.000 1.195 1041 F CB 0.432 39.489 39.000 0.095 0.000 1.099 1041 F HN -0.135 nan 8.300 nan 0.000 0.548 1042 E N 5.689 125.637 120.200 -0.420 0.000 2.415 1042 E HA 0.162 4.512 4.350 -0.000 0.000 0.262 1042 E C -0.543 175.816 176.600 -0.402 0.000 1.038 1042 E CA -0.022 56.181 56.400 -0.328 0.000 0.921 1042 E CB 0.809 30.353 29.700 -0.261 0.000 0.950 1042 E HN 0.574 nan 8.360 nan 0.000 0.438 1043 L N 1.588 122.715 121.223 -0.160 0.000 2.304 1043 L HA 0.632 4.972 4.340 -0.000 0.000 0.268 1043 L C -0.321 176.498 176.870 -0.084 0.000 1.010 1043 L CA -1.126 53.661 54.840 -0.088 0.000 0.813 1043 L CB 1.536 43.602 42.059 0.011 0.000 1.315 1043 L HN 0.316 nan 8.230 nan 0.000 0.445 1044 V N -2.529 117.349 119.914 -0.060 0.000 2.925 1044 V HA 0.419 4.538 4.120 -0.000 0.000 0.311 1044 V C -2.457 173.618 176.094 -0.032 0.000 1.104 1044 V CA -1.624 60.644 62.300 -0.052 0.000 0.954 1044 V CB 1.638 33.418 31.823 -0.071 0.000 1.022 1044 V HN 0.445 nan 8.190 nan 0.000 0.427 1045 P HA -0.154 nan 4.420 nan 0.000 0.216 1045 P C 1.122 178.409 177.300 -0.021 0.000 1.154 1045 P CA 2.365 65.457 63.100 -0.014 0.000 0.865 1045 P CB -0.148 31.544 31.700 -0.014 0.000 0.789 1046 T N -2.904 111.628 114.554 -0.036 0.000 3.820 1046 T HA 0.201 4.551 4.350 -0.000 0.000 0.224 1046 T C -0.206 174.459 174.700 -0.059 0.000 0.869 1046 T CA -0.439 61.633 62.100 -0.047 0.000 0.932 1046 T CB -1.039 67.794 68.868 -0.059 0.000 1.259 1046 T HN -0.139 nan 8.240 nan 0.000 0.676 1047 D N 0.786 121.162 120.400 -0.040 0.000 2.340 1047 D HA 0.680 5.320 4.640 -0.000 0.000 0.240 1047 D C -0.595 175.687 176.300 -0.031 0.000 1.001 1047 D CA -0.632 53.345 54.000 -0.038 0.000 0.888 1047 D CB 1.720 42.514 40.800 -0.009 0.000 1.310 1047 D HN 0.174 nan 8.370 nan 0.000 0.474 1048 L N 1.074 122.271 121.223 -0.044 0.000 2.330 1048 L HA 0.587 4.927 4.340 -0.000 0.000 0.271 1048 L C -0.434 176.343 176.870 -0.154 0.000 1.013 1048 L CA -0.534 54.246 54.840 -0.100 0.000 0.816 1048 L CB 1.520 43.505 42.059 -0.122 0.000 1.287 1048 L HN 0.314 nan 8.230 nan 0.000 0.435 1049 I N 1.944 122.395 120.570 -0.198 0.000 2.439 1049 I HA 0.285 4.455 4.170 -0.000 0.000 0.283 1049 I C -0.928 175.025 176.117 -0.275 0.000 1.023 1049 I CA -0.464 60.748 61.300 -0.148 0.000 1.100 1049 I CB 1.140 39.145 38.000 0.007 0.000 1.238 1049 I HN 0.301 nan 8.210 nan 0.000 0.445 1050 F N 6.004 125.781 119.950 -0.288 0.000 2.571 1050 F HA 0.186 4.713 4.527 -0.000 0.000 0.384 1050 F C 0.963 176.356 175.800 -0.679 0.000 1.058 1050 F CA -0.078 57.560 58.000 -0.603 0.000 1.200 1050 F CB 0.324 38.663 39.000 -1.102 0.000 1.077 1050 F HN 0.533 nan 8.300 nan 0.000 0.558 1051 C N 3.383 122.701 119.300 0.030 0.000 3.154 1051 C HA 0.825 5.285 4.460 -0.000 0.000 0.312 1051 C C -0.741 174.532 174.990 0.471 0.000 1.349 1051 C CA -1.468 57.725 59.018 0.291 0.000 1.518 1051 C CB 1.210 29.032 27.740 0.136 0.000 1.934 1051 C HN 0.732 nan 8.230 nan 0.000 0.462 1052 L N 2.263 123.693 121.223 0.345 0.000 2.371 1052 L HA 0.405 4.745 4.340 -0.000 0.000 0.262 1052 L C 0.125 177.042 176.870 0.078 0.000 1.054 1052 L CA -0.146 54.794 54.840 0.165 0.000 0.924 1052 L CB 0.587 42.691 42.059 0.074 0.000 1.295 1052 L HN 0.711 nan 8.230 nan 0.000 0.441 1053 M N 1.523 121.149 119.600 0.045 0.000 2.238 1053 M HA 0.150 4.629 4.480 -0.000 0.000 0.347 1053 M C 0.178 176.468 176.300 -0.016 0.000 1.173 1053 M CA 0.008 55.314 55.300 0.010 0.000 1.147 1053 M CB 0.775 33.363 32.600 -0.021 0.000 1.547 1053 M HN 0.410 nan 8.290 nan 0.000 0.455 1054 Q N 1.407 121.209 119.800 0.004 0.000 2.299 1054 Q HA 0.229 4.568 4.340 -0.000 0.000 0.246 1054 Q C -1.055 174.932 176.000 -0.022 0.000 0.935 1054 Q CA -0.187 55.619 55.803 0.005 0.000 0.887 1054 Q CB 0.687 29.447 28.738 0.038 0.000 1.223 1054 Q HN 0.470 nan 8.270 nan 0.000 0.439 1055 F N 3.287 123.131 119.950 -0.176 0.000 2.557 1055 F HA 0.151 4.678 4.527 -0.000 0.000 0.384 1055 F C -0.320 175.322 175.800 -0.263 0.000 1.057 1055 F CA -0.062 57.783 58.000 -0.258 0.000 1.169 1055 F CB 0.212 39.031 39.000 -0.302 0.000 1.070 1055 F HN 0.521 nan 8.300 nan 0.000 0.554 1056 D N 4.113 124.010 120.400 -0.840 0.000 2.326 1056 D HA 0.249 4.888 4.640 -0.000 0.000 0.251 1056 D C -0.738 175.017 176.300 -0.908 0.000 1.023 1056 D CA -0.428 53.151 54.000 -0.701 0.000 0.966 1056 D CB 0.724 41.398 40.800 -0.211 0.000 1.156 1056 D HN 0.550 nan 8.370 nan 0.000 0.494 1057 H N 2.588 121.470 119.070 -0.312 0.000 2.638 1057 H HA 0.315 4.871 4.556 -0.000 0.000 0.242 1057 H C -0.351 174.935 175.328 -0.069 0.000 1.610 1057 H CA -0.602 55.354 56.048 -0.152 0.000 1.275 1057 H CB -0.100 29.603 29.762 -0.099 0.000 1.583 1057 H HN 0.182 nan 8.280 nan 0.000 0.556 1058 N N 0.808 119.484 118.700 -0.040 0.000 2.530 1058 N HA 0.660 5.399 4.740 -0.000 0.000 0.283 1058 N C 0.010 175.425 175.510 -0.159 0.000 1.238 1058 N CA -0.499 52.490 53.050 -0.101 0.000 0.971 1058 N CB 1.914 40.364 38.487 -0.061 0.000 1.195 1058 N HN 0.528 nan 8.380 nan 0.000 0.583 1059 A N 0.000 122.745 122.820 -0.125 0.000 2.254 1059 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 1059 A CA 0.000 51.949 52.037 -0.147 0.000 0.836 1059 A CB 0.000 18.954 19.000 -0.077 0.000 0.831 1059 A HN 0.000 nan 8.150 nan 0.000 0.486