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 1ua1_1_A DATA FIRST_RESID 297 DATA SEQUENCE AAMAFTLADR VTEEMLADKA ALVVEVVEEN YHDAPIVGIA VVNEHGRFFL DATA SEQUENCE RPETALADPQ FVAWLGDETK KKSMFDSKRA AVALKWKGIE LCGVSFDLLL DATA SEQUENCE AAYLLDPAQG VDDVAAAAKM KQYEAVRPDE AVYGKGAKRA VPDEPVLAEH DATA SEQUENCE LVRKAAAIWE LERPFLDELR RNEQDRLLVE LEQPLSSILA EMEFAGVKVD DATA SEQUENCE TKRLEQMGKE LAEQLGTVEQ RIYELAGQEF NINSPKQLGV ILFEKLQLPV DATA SEQUENCE LKKTKTGYST SADVLEKLAP YHEIVENILH YRQLGKLQST YIEGLLKVVR DATA SEQUENCE PDTKKVHTIF NQALTQTGRL SSTEPNLQNI PIRLEEGRKI RQAFVPSESD DATA SEQUENCE WLIFAADYSQ IELRVLAHIA EDDNLMEAFR RDLDIHTKTA MDIFQVSEDE DATA SEQUENCE VTPNMRRQAK AVNFGIVYGI SDYGLAQNLN ISRKEAAEFI ERYFESFPGV DATA SEQUENCE KRYMENIVQE AKQKGYVTTL LHRRRYLPDI TSRNFNVRSF AERMAMNTPI DATA SEQUENCE QGSAADIIKK AMIDLNARLK EERLQAHLLL QVHDELILEA PKEEMERLCR DATA SEQUENCE LVPEVMEQAV TLRVPLKVDY HYGSTWYDAK 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 297 A HA 0.000 nan 4.320 nan 0.000 0.244 297 A C 0.000 177.589 177.584 0.008 0.000 1.274 297 A CA 0.000 52.035 52.037 -0.004 0.000 0.836 297 A CB 0.000 18.996 19.000 -0.007 0.000 0.831 298 A N 0.859 123.685 122.820 0.010 0.000 2.609 298 A HA 0.383 4.702 4.320 -0.003 0.000 0.232 298 A C 0.409 178.019 177.584 0.043 0.000 1.041 298 A CA 1.304 53.358 52.037 0.028 0.000 0.753 298 A CB -0.367 18.640 19.000 0.012 0.000 0.966 298 A HN 1.139 nan 8.150 nan 0.000 0.510 299 M N 2.952 122.607 119.600 0.092 0.000 2.209 299 M HA 0.556 5.034 4.480 -0.003 0.000 0.355 299 M C 0.235 176.634 176.300 0.166 0.000 1.171 299 M CA -0.326 55.044 55.300 0.117 0.000 1.069 299 M CB 1.074 33.754 32.600 0.133 0.000 1.622 299 M HN 0.878 nan 8.290 nan 0.000 0.459 300 A N 4.968 127.836 122.820 0.081 0.000 2.425 300 A HA 0.666 4.984 4.320 -0.003 0.000 0.249 300 A C -0.848 176.804 177.584 0.113 0.000 1.084 300 A CA -0.179 51.860 52.037 0.004 0.000 0.781 300 A CB -0.123 18.851 19.000 -0.044 0.000 1.019 300 A HN 0.951 nan 8.150 nan 0.000 0.490 301 F N -1.558 118.335 119.950 -0.095 0.000 2.769 301 F HA 0.557 5.080 4.527 -0.006 0.000 0.313 301 F C -0.738 175.009 175.800 -0.089 0.000 1.146 301 F CA -0.777 57.144 58.000 -0.132 0.000 0.934 301 F CB 0.723 39.675 39.000 -0.081 0.000 1.283 301 F HN 0.337 nan 8.300 nan 0.000 0.443 302 T N 3.169 117.784 114.554 0.102 0.000 2.744 302 T HA 0.456 4.804 4.350 -0.003 0.000 0.291 302 T C -0.637 174.272 174.700 0.349 0.000 0.957 302 T CA -0.281 61.880 62.100 0.101 0.000 1.002 302 T CB 1.138 70.084 68.868 0.130 0.000 0.919 302 T HN 0.731 nan 8.240 nan 0.000 0.468 303 L N 4.567 125.934 121.223 0.240 0.000 2.375 303 L HA 0.525 4.864 4.340 -0.003 0.000 0.276 303 L C 0.546 177.561 176.870 0.241 0.000 1.162 303 L CA -0.139 54.928 54.840 0.379 0.000 0.991 303 L CB -0.799 41.409 42.059 0.248 0.000 1.315 303 L HN 0.750 nan 8.230 nan 0.000 0.431 304 A N 2.901 125.860 122.820 0.233 0.000 2.440 304 A HA 0.234 4.552 4.320 -0.003 0.000 0.251 304 A C 0.705 178.320 177.584 0.051 0.000 1.089 304 A CA -0.296 51.808 52.037 0.113 0.000 0.779 304 A CB 0.172 19.214 19.000 0.071 0.000 1.022 304 A HN 0.737 nan 8.150 nan 0.000 0.492 305 D N 0.891 121.305 120.400 0.023 0.000 2.346 305 D HA 0.090 4.728 4.640 -0.003 0.000 0.206 305 D C 0.468 176.746 176.300 -0.037 0.000 1.001 305 D CA 0.932 54.934 54.000 0.002 0.000 0.871 305 D CB 0.368 41.174 40.800 0.009 0.000 0.943 305 D HN 0.601 nan 8.370 nan 0.000 0.518 306 R N -0.302 120.166 120.500 -0.053 0.000 2.799 306 R HA 0.507 4.845 4.340 -0.003 0.000 0.270 306 R C -0.992 175.234 176.300 -0.122 0.000 1.010 306 R CA -0.826 55.225 56.100 -0.081 0.000 0.916 306 R CB 2.312 32.578 30.300 -0.056 0.000 1.228 306 R HN -0.252 nan 8.270 nan 0.000 0.469 307 V N 1.566 121.392 119.914 -0.146 0.000 2.583 307 V HA 0.301 4.419 4.120 -0.003 0.000 0.287 307 V C 0.476 176.475 176.094 -0.158 0.000 1.051 307 V CA -0.167 62.021 62.300 -0.188 0.000 1.010 307 V CB 1.211 32.939 31.823 -0.159 0.000 0.988 307 V HN 0.957 nan 8.190 nan 0.000 0.478 308 T N 0.269 114.691 114.554 -0.221 0.000 2.924 308 T HA 0.435 4.783 4.350 -0.003 0.000 0.291 308 T C 0.674 175.234 174.700 -0.234 0.000 1.045 308 T CA -0.548 61.434 62.100 -0.195 0.000 1.015 308 T CB 2.013 70.770 68.868 -0.185 0.000 1.103 308 T HN 0.504 nan 8.240 nan 0.000 0.496 309 E N 0.507 120.602 120.200 -0.175 0.000 2.160 309 E HA -0.169 4.179 4.350 -0.003 0.000 0.195 309 E C 1.816 178.284 176.600 -0.220 0.000 0.991 309 E CA 1.565 57.867 56.400 -0.163 0.000 0.810 309 E CB -0.287 29.348 29.700 -0.109 0.000 0.742 309 E HN 0.812 nan 8.360 nan 0.000 0.466 310 E N -0.794 119.243 120.200 -0.273 0.000 2.209 310 E HA -0.168 4.180 4.350 -0.003 0.000 0.196 310 E C 1.618 178.021 176.600 -0.328 0.000 0.993 310 E CA 1.151 57.361 56.400 -0.316 0.000 0.819 310 E CB -0.058 29.487 29.700 -0.258 0.000 0.745 310 E HN 0.408 nan 8.360 nan 0.000 0.477 311 M N -0.102 119.144 119.600 -0.591 0.000 2.595 311 M HA 0.014 4.492 4.480 -0.003 0.000 0.248 311 M C 0.801 176.671 176.300 -0.717 0.000 1.119 311 M CA 0.540 55.367 55.300 -0.788 0.000 1.079 311 M CB 0.463 32.555 32.600 -0.846 0.000 1.472 311 M HN 0.007 nan 8.290 nan 0.000 0.501 312 L N 0.113 121.000 121.223 -0.561 0.000 3.034 312 L HA 0.439 4.777 4.340 -0.003 0.000 0.245 312 L C 0.743 177.522 176.870 -0.151 0.000 1.295 312 L CA -0.848 53.546 54.840 -0.743 0.000 1.068 312 L CB -0.614 41.197 42.059 -0.413 0.000 1.426 312 L HN 0.035 nan 8.230 nan 0.000 0.531 313 A N 0.651 123.474 122.820 0.005 0.000 2.429 313 A HA 0.071 4.389 4.320 -0.003 0.000 0.242 313 A C 1.061 178.873 177.584 0.380 0.000 1.088 313 A CA 0.115 52.279 52.037 0.211 0.000 0.784 313 A CB 0.212 19.316 19.000 0.173 0.000 1.038 313 A HN 0.528 nan 8.150 nan 0.000 0.501 314 D N -0.829 119.739 120.400 0.280 0.000 2.352 314 D HA 0.113 4.751 4.640 -0.003 0.000 0.232 314 D C 0.128 176.560 176.300 0.219 0.000 1.055 314 D CA 0.432 54.579 54.000 0.244 0.000 0.891 314 D CB -0.026 40.862 40.800 0.147 0.000 0.897 314 D HN 0.328 nan 8.370 nan 0.000 0.529 315 K N 0.040 120.609 120.400 0.282 0.000 2.565 315 K HA 0.678 4.996 4.320 -0.003 0.000 0.251 315 K C -1.896 174.964 176.600 0.434 0.000 0.956 315 K CA -0.444 56.029 56.287 0.311 0.000 0.809 315 K CB 2.000 34.666 32.500 0.276 0.000 1.267 315 K HN 0.031 nan 8.250 nan 0.000 0.438 316 A N 2.038 125.151 122.820 0.488 0.000 2.597 316 A HA 0.781 5.099 4.320 -0.003 0.000 0.292 316 A C -1.606 176.256 177.584 0.464 0.000 1.057 316 A CA -0.461 51.840 52.037 0.440 0.000 0.674 316 A CB 1.090 20.302 19.000 0.353 0.000 1.278 316 A HN 0.887 nan 8.150 nan 0.000 0.416 317 A N 0.448 123.509 122.820 0.401 0.000 2.289 317 A HA 0.655 4.973 4.320 -0.003 0.000 0.298 317 A C -0.656 177.082 177.584 0.257 0.000 1.208 317 A CA -0.229 52.027 52.037 0.365 0.000 0.845 317 A CB 0.276 19.505 19.000 0.382 0.000 1.125 317 A HN 1.922 nan 8.150 nan 0.000 0.517 318 L N 3.573 124.945 121.223 0.247 0.000 2.365 318 L HA 0.738 5.076 4.340 -0.003 0.000 0.273 318 L C -1.104 175.868 176.870 0.170 0.000 1.000 318 L CA -0.320 54.664 54.840 0.240 0.000 0.819 318 L CB 2.169 44.402 42.059 0.290 0.000 1.284 318 L HN 0.375 nan 8.230 nan 0.000 0.418 319 V N 5.724 125.727 119.914 0.149 0.000 2.443 319 V HA 0.484 4.602 4.120 -0.003 0.000 0.293 319 V C -0.748 175.410 176.094 0.107 0.000 1.021 319 V CA -0.555 61.810 62.300 0.108 0.000 0.848 319 V CB 1.885 33.751 31.823 0.070 0.000 0.998 319 V HN 0.513 nan 8.190 nan 0.000 0.424 320 V N 4.153 124.123 119.914 0.094 0.000 2.289 320 V HA 0.339 4.457 4.120 -0.003 0.000 0.272 320 V C 0.032 176.162 176.094 0.059 0.000 1.026 320 V CA -0.652 61.697 62.300 0.081 0.000 0.807 320 V CB 1.363 33.233 31.823 0.078 0.000 1.044 320 V HN 0.921 nan 8.190 nan 0.000 0.443 321 E N 3.560 123.801 120.200 0.068 0.000 2.257 321 E HA 0.346 4.694 4.350 -0.003 0.000 0.278 321 E C -0.775 175.844 176.600 0.032 0.000 1.049 321 E CA 0.119 56.560 56.400 0.068 0.000 0.876 321 E CB 1.111 30.881 29.700 0.118 0.000 1.035 321 E HN 0.429 nan 8.360 nan 0.000 0.419 322 V N 6.495 126.417 119.914 0.013 0.000 2.349 322 V HA 0.096 4.214 4.120 -0.003 0.000 0.284 322 V C 0.833 176.898 176.094 -0.048 0.000 1.014 322 V CA -0.537 61.761 62.300 -0.003 0.000 0.826 322 V CB 1.386 33.227 31.823 0.030 0.000 1.009 322 V HN 0.685 nan 8.190 nan 0.000 0.431 323 V N 2.287 122.116 119.914 -0.141 0.000 2.488 323 V HA 0.004 4.122 4.120 -0.003 0.000 0.246 323 V C 1.301 177.303 176.094 -0.155 0.000 1.046 323 V CA 0.978 63.109 62.300 -0.282 0.000 1.053 323 V CB -0.214 31.306 31.823 -0.506 0.000 0.679 323 V HN 0.798 nan 8.190 nan 0.000 0.458 324 E N 0.840 120.986 120.200 -0.091 0.000 2.465 324 E HA -0.052 4.296 4.350 -0.003 0.000 0.260 324 E C 1.218 177.799 176.600 -0.032 0.000 0.980 324 E CA 0.251 56.616 56.400 -0.059 0.000 0.927 324 E CB 0.636 30.304 29.700 -0.053 0.000 0.934 324 E HN 0.504 nan 8.360 nan 0.000 0.459 325 E N 1.807 121.985 120.200 -0.037 0.000 2.077 325 E HA -0.165 4.184 4.350 -0.003 0.000 0.193 325 E C 0.662 177.205 176.600 -0.094 0.000 0.989 325 E CA 0.674 57.057 56.400 -0.028 0.000 0.800 325 E CB 0.129 29.814 29.700 -0.025 0.000 0.746 325 E HN 0.278 nan 8.360 nan 0.000 0.452 326 N N 0.558 119.179 118.700 -0.132 0.000 2.437 326 N HA -0.037 4.701 4.740 -0.003 0.000 0.243 326 N C -0.120 175.251 175.510 -0.231 0.000 1.041 326 N CA -0.082 52.818 53.050 -0.249 0.000 0.940 326 N CB 0.443 38.848 38.487 -0.137 0.000 1.133 326 N HN 0.074 nan 8.380 nan 0.000 0.506 327 Y N 1.329 121.544 120.300 -0.141 0.000 2.529 327 Y HA 0.255 4.803 4.550 -0.003 0.000 0.290 327 Y C 0.322 176.075 175.900 -0.245 0.000 1.177 327 Y CA -0.489 57.509 58.100 -0.170 0.000 1.305 327 Y CB -0.916 37.463 38.460 -0.135 0.000 1.047 327 Y HN 0.373 nan 8.280 nan 0.000 0.522 328 H N 2.735 121.759 119.070 -0.077 0.000 2.975 328 H HA 0.021 4.575 4.556 -0.003 0.000 0.303 328 H C 0.335 175.129 175.328 -0.889 0.000 1.023 328 H CA 0.867 56.700 56.048 -0.357 0.000 1.473 328 H CB 0.458 30.072 29.762 -0.246 0.000 1.498 328 H HN 0.336 nan 8.280 nan 0.000 0.549 329 D N 0.880 120.437 120.400 -1.404 0.000 2.911 329 D HA -0.178 4.460 4.640 -0.003 0.000 0.227 329 D C -0.153 175.932 176.300 -0.357 0.000 1.164 329 D CA 0.901 54.352 54.000 -0.915 0.000 0.782 329 D CB -0.699 39.424 40.800 -1.129 0.000 1.094 329 D HN 0.749 nan 8.370 nan 0.000 0.425 330 A N -0.225 122.464 122.820 -0.218 0.000 2.264 330 A HA 0.721 5.039 4.320 -0.003 0.000 0.304 330 A C -2.184 175.375 177.584 -0.042 0.000 1.100 330 A CA -1.025 50.950 52.037 -0.103 0.000 0.839 330 A CB 0.737 19.702 19.000 -0.058 0.000 1.121 330 A HN 0.088 nan 8.150 nan 0.000 0.496 331 P HA 0.401 nan 4.420 nan 0.000 0.274 331 P C -0.988 176.314 177.300 0.003 0.000 1.231 331 P CA 0.009 63.105 63.100 -0.008 0.000 0.790 331 P CB 0.523 32.216 31.700 -0.010 0.000 0.951 332 I N 2.228 122.807 120.570 0.016 0.000 2.328 332 I HA 0.070 4.238 4.170 -0.003 0.000 0.287 332 I C 1.421 177.555 176.117 0.028 0.000 1.012 332 I CA -0.560 60.754 61.300 0.023 0.000 1.195 332 I CB 1.593 39.612 38.000 0.031 0.000 1.350 332 I HN 0.189 nan 8.210 nan 0.000 0.464 333 V N 3.087 123.025 119.914 0.040 0.000 3.129 333 V HA 0.461 4.580 4.120 -0.003 0.000 0.259 333 V C 0.734 176.902 176.094 0.124 0.000 1.116 333 V CA 0.784 63.128 62.300 0.073 0.000 1.127 333 V CB -0.501 31.368 31.823 0.077 0.000 0.742 333 V HN 0.821 nan 8.190 nan 0.000 0.474 334 G N -0.733 108.125 108.800 0.097 0.000 2.466 334 G HA2 0.600 4.558 3.960 -0.003 0.000 0.291 334 G HA3 0.600 4.558 3.960 -0.003 0.000 0.291 334 G C -1.776 173.101 174.900 -0.038 0.000 1.460 334 G CA -0.713 44.428 45.100 0.069 0.000 0.791 334 G HN 0.195 nan 8.290 nan 0.000 0.505 335 I N 0.243 120.638 120.570 -0.290 0.000 2.647 335 I HA 0.702 4.870 4.170 -0.003 0.000 0.295 335 I C 0.042 176.039 176.117 -0.200 0.000 1.078 335 I CA -1.021 60.168 61.300 -0.185 0.000 1.048 335 I CB 2.368 40.240 38.000 -0.212 0.000 1.239 335 I HN 0.826 nan 8.210 nan 0.000 0.421 336 A N 5.510 128.330 122.820 -0.000 0.000 2.393 336 A HA 0.878 5.196 4.320 -0.003 0.000 0.306 336 A C -1.335 176.304 177.584 0.091 0.000 1.050 336 A CA -0.529 51.539 52.037 0.051 0.000 0.724 336 A CB 1.770 20.809 19.000 0.065 0.000 1.248 336 A HN 0.392 nan 8.150 nan 0.000 0.424 337 V N 2.308 122.294 119.914 0.120 0.000 2.577 337 V HA 0.579 4.697 4.120 -0.003 0.000 0.303 337 V C -0.728 175.455 176.094 0.148 0.000 1.042 337 V CA -0.524 61.862 62.300 0.143 0.000 0.872 337 V CB 1.755 33.626 31.823 0.079 0.000 0.998 337 V HN 0.710 nan 8.190 nan 0.000 0.423 338 V N 5.341 125.254 119.914 -0.002 0.000 2.483 338 V HA 0.666 4.784 4.120 -0.003 0.000 0.297 338 V C -0.458 175.267 176.094 -0.615 0.000 1.027 338 V CA -0.464 61.686 62.300 -0.250 0.000 0.855 338 V CB 1.868 33.512 31.823 -0.298 0.000 0.995 338 V HN 1.140 nan 8.190 nan 0.000 0.424 339 N N 2.181 120.500 118.700 -0.634 0.000 3.316 339 N HA 0.268 5.006 4.740 -0.003 0.000 0.300 339 N C 0.747 175.912 175.510 -0.574 0.000 1.567 339 N CA -0.391 52.168 53.050 -0.819 0.000 0.821 339 N CB 0.565 38.910 38.487 -0.237 0.000 1.748 339 N HN 0.513 nan 8.380 nan 0.000 0.603 340 E N -1.262 118.753 120.200 -0.308 0.000 2.267 340 E HA -0.252 4.096 4.350 -0.003 0.000 0.197 340 E C 0.127 176.607 176.600 -0.200 0.000 0.998 340 E CA 1.253 57.555 56.400 -0.164 0.000 0.830 340 E CB -0.500 29.101 29.700 -0.166 0.000 0.751 340 E HN 0.550 nan 8.360 nan 0.000 0.491 341 H N 0.528 119.627 119.070 0.049 0.000 2.553 341 H HA 0.348 4.902 4.556 -0.004 0.000 0.265 341 H C 1.188 176.537 175.328 0.036 0.000 0.964 341 H CA 0.861 56.969 56.048 0.101 0.000 1.156 341 H CB 1.070 30.947 29.762 0.191 0.000 1.411 341 H HN 0.386 nan 8.280 nan 0.000 0.558 342 G N 0.526 109.303 108.800 -0.039 0.000 2.302 342 G HA2 -0.002 3.956 3.960 -0.003 0.000 0.276 342 G HA3 -0.002 3.956 3.960 -0.003 0.000 0.276 342 G C -1.341 173.207 174.900 -0.586 0.000 1.316 342 G CA -1.177 43.718 45.100 -0.341 0.000 0.988 342 G HN 0.148 nan 8.290 nan 0.000 0.479 343 R N -0.510 119.550 120.500 -0.734 0.000 2.494 343 R HA 0.701 5.039 4.340 -0.003 0.000 0.305 343 R C -1.367 174.543 176.300 -0.650 0.000 0.959 343 R CA -0.447 55.356 56.100 -0.494 0.000 0.864 343 R CB 1.368 31.571 30.300 -0.162 0.000 1.159 343 R HN 0.320 nan 8.270 nan 0.000 0.446 344 F N 1.839 121.817 119.950 0.048 0.000 2.576 344 F HA 0.469 4.997 4.527 0.003 0.000 0.313 344 F C -0.579 175.271 175.800 0.083 0.000 1.078 344 F CA -1.189 56.866 58.000 0.092 0.000 0.921 344 F CB 1.439 40.435 39.000 -0.006 0.000 1.232 344 F HN 0.339 nan 8.300 nan 0.000 0.459 345 F N 3.559 123.627 119.950 0.197 0.000 2.482 345 F HA 0.814 5.339 4.527 -0.003 0.000 0.331 345 F C -1.757 174.071 175.800 0.047 0.000 1.115 345 F CA -0.986 57.043 58.000 0.047 0.000 0.955 345 F CB 1.060 40.060 39.000 -0.001 0.000 1.136 345 F HN 0.343 nan 8.300 nan 0.000 0.452 346 L N 6.351 127.001 121.223 -0.954 0.000 2.386 346 L HA 0.555 4.893 4.340 -0.003 0.000 0.271 346 L C -0.357 175.960 176.870 -0.921 0.000 0.993 346 L CA -1.015 53.384 54.840 -0.736 0.000 0.819 346 L CB 2.172 43.873 42.059 -0.597 0.000 1.294 346 L HN 0.575 nan 8.230 nan 0.000 0.414 347 R N 3.598 123.797 120.500 -0.500 0.000 2.491 347 R HA 0.130 4.468 4.340 -0.003 0.000 0.283 347 R C -1.485 174.665 176.300 -0.250 0.000 1.072 347 R CA -1.417 54.520 56.100 -0.273 0.000 1.048 347 R CB 0.749 31.012 30.300 -0.061 0.000 0.983 347 R HN 0.395 nan 8.270 nan 0.000 0.450 348 P HA -0.261 nan 4.420 nan 0.000 0.215 348 P C 0.810 178.062 177.300 -0.080 0.000 1.153 348 P CA 1.507 64.537 63.100 -0.118 0.000 0.853 348 P CB 0.114 31.787 31.700 -0.046 0.000 0.788 349 E N -0.149 120.021 120.200 -0.050 0.000 2.171 349 E HA -0.152 4.196 4.350 -0.003 0.000 0.197 349 E C 1.523 178.095 176.600 -0.047 0.000 0.997 349 E CA 1.692 58.075 56.400 -0.029 0.000 0.810 349 E CB -1.602 28.090 29.700 -0.012 0.000 0.738 349 E HN 0.210 nan 8.360 nan 0.000 0.467 350 T N 1.354 115.856 114.554 -0.087 0.000 2.781 350 T HA 0.150 4.499 4.350 -0.003 0.000 0.252 350 T C 2.124 176.734 174.700 -0.151 0.000 1.039 350 T CA 1.431 63.467 62.100 -0.106 0.000 1.147 350 T CB -0.373 68.419 68.868 -0.126 0.000 0.865 350 T HN 0.399 nan 8.240 nan 0.000 0.423 351 A N 1.688 124.340 122.820 -0.279 0.000 1.865 351 A HA -0.014 4.304 4.320 -0.003 0.000 0.217 351 A C 2.225 179.747 177.584 -0.103 0.000 1.191 351 A CA 1.361 53.111 52.037 -0.477 0.000 0.623 351 A CB -1.067 17.347 19.000 -0.977 0.000 0.826 351 A HN 0.483 nan 8.150 nan 0.000 0.444 352 L N -1.113 120.108 121.223 -0.005 0.000 2.456 352 L HA -0.079 4.259 4.340 -0.003 0.000 0.224 352 L C 2.505 179.428 176.870 0.088 0.000 1.148 352 L CA 0.655 55.569 54.840 0.124 0.000 0.825 352 L CB -0.359 41.752 42.059 0.086 0.000 0.937 352 L HN 0.471 nan 8.230 nan 0.000 0.450 353 A N -1.864 120.980 122.820 0.040 0.000 2.267 353 A HA -0.011 4.308 4.320 -0.003 0.000 0.213 353 A C 0.739 178.347 177.584 0.040 0.000 1.192 353 A CA -0.140 51.917 52.037 0.033 0.000 0.851 353 A CB -0.024 18.981 19.000 0.009 0.000 0.881 353 A HN 0.217 nan 8.150 nan 0.000 0.494 354 D N 0.322 120.756 120.400 0.056 0.000 2.295 354 D HA 0.223 4.862 4.640 -0.003 0.000 0.248 354 D C -1.856 174.508 176.300 0.107 0.000 1.154 354 D CA -1.644 52.395 54.000 0.065 0.000 0.857 354 D CB 1.516 42.344 40.800 0.048 0.000 1.117 354 D HN -0.038 nan 8.370 nan 0.000 0.468 355 P HA -0.170 nan 4.420 nan 0.000 0.216 355 P C 1.019 178.364 177.300 0.077 0.000 1.153 355 P CA 1.337 64.474 63.100 0.062 0.000 0.858 355 P CB 0.428 32.150 31.700 0.037 0.000 0.789 356 Q N -1.894 117.955 119.800 0.081 0.000 2.079 356 Q HA -0.129 4.209 4.340 -0.003 0.000 0.200 356 Q C 1.965 178.053 176.000 0.145 0.000 0.974 356 Q CA 1.358 57.214 55.803 0.087 0.000 0.840 356 Q CB -1.365 27.406 28.738 0.054 0.000 0.898 356 Q HN 0.226 nan 8.270 nan 0.000 0.430 357 F N 0.096 120.060 119.950 0.023 0.000 2.102 357 F HA -0.186 4.339 4.527 -0.004 0.000 0.298 357 F C 1.896 177.791 175.800 0.157 0.000 1.105 357 F CA 0.953 58.990 58.000 0.063 0.000 1.239 357 F CB -0.334 38.660 39.000 -0.011 0.000 0.991 357 F HN -0.133 nan 8.300 nan 0.000 0.474 358 V N 0.507 120.500 119.914 0.132 0.000 2.332 358 V HA -0.342 3.776 4.120 -0.003 0.000 0.248 358 V C 2.721 178.795 176.094 -0.033 0.000 1.055 358 V CA 1.855 64.170 62.300 0.024 0.000 1.038 358 V CB -1.624 30.239 31.823 0.067 0.000 0.651 358 V HN 0.485 nan 8.190 nan 0.000 0.450 359 A N -1.018 121.811 122.820 0.016 0.000 1.902 359 A HA -0.283 4.035 4.320 -0.003 0.000 0.217 359 A C 1.960 179.541 177.584 -0.005 0.000 1.181 359 A CA 1.923 53.962 52.037 0.004 0.000 0.623 359 A CB -0.920 18.100 19.000 0.034 0.000 0.818 359 A HN 0.749 nan 8.150 nan 0.000 0.443 360 W N 0.698 121.888 121.300 -0.184 0.000 2.358 360 W HA -0.148 4.510 4.660 -0.003 0.000 0.303 360 W C 1.693 178.054 176.519 -0.263 0.000 1.208 360 W CA 1.808 59.027 57.345 -0.210 0.000 1.274 360 W CB -0.283 29.030 29.460 -0.244 0.000 1.138 360 W HN 0.252 nan 8.180 nan 0.000 0.515 361 L N 0.165 121.203 121.223 -0.309 0.000 2.046 361 L HA -0.107 4.231 4.340 -0.003 0.000 0.208 361 L C 2.472 179.116 176.870 -0.376 0.000 1.077 361 L CA 1.562 56.128 54.840 -0.457 0.000 0.747 361 L CB -1.366 40.502 42.059 -0.318 0.000 0.896 361 L HN 0.237 nan 8.230 nan 0.000 0.432 362 G N -1.841 106.809 108.800 -0.250 0.000 2.985 362 G HA2 -0.111 3.848 3.960 -0.003 0.000 0.209 362 G HA3 -0.111 3.848 3.960 -0.003 0.000 0.209 362 G C 0.175 174.961 174.900 -0.190 0.000 1.165 362 G CA -0.204 44.779 45.100 -0.194 0.000 0.776 362 G HN 0.140 nan 8.290 nan 0.000 0.541 363 D N 0.760 121.015 120.400 -0.241 0.000 2.339 363 D HA 0.083 4.721 4.640 -0.003 0.000 0.241 363 D C 1.153 177.318 176.300 -0.225 0.000 1.183 363 D CA -0.342 53.540 54.000 -0.196 0.000 0.859 363 D CB 1.095 41.792 40.800 -0.171 0.000 1.067 363 D HN 0.320 nan 8.370 nan 0.000 0.484 364 E N 1.787 121.893 120.200 -0.157 0.000 2.265 364 E HA -0.179 4.169 4.350 -0.003 0.000 0.196 364 E C 1.310 177.837 176.600 -0.122 0.000 0.996 364 E CA 1.197 57.513 56.400 -0.140 0.000 0.832 364 E CB 0.315 29.956 29.700 -0.099 0.000 0.756 364 E HN 0.570 nan 8.360 nan 0.000 0.491 365 T N -1.553 112.939 114.554 -0.105 0.000 3.088 365 T HA 0.050 4.398 4.350 -0.003 0.000 0.259 365 T C 0.629 175.286 174.700 -0.072 0.000 1.122 365 T CA -0.044 62.015 62.100 -0.068 0.000 1.095 365 T CB 0.166 69.012 68.868 -0.036 0.000 0.930 365 T HN -0.159 nan 8.240 nan 0.000 0.508 366 K N 2.796 123.102 120.400 -0.157 0.000 2.268 366 K HA 0.337 4.655 4.320 -0.003 0.000 0.276 366 K C -0.347 176.111 176.600 -0.238 0.000 1.080 366 K CA -0.375 55.799 56.287 -0.187 0.000 0.910 366 K CB 1.067 33.287 32.500 -0.466 0.000 1.163 366 K HN 0.193 nan 8.250 nan 0.000 0.465 367 K N 2.666 123.023 120.400 -0.072 0.000 2.276 367 K HA 0.235 4.553 4.320 -0.003 0.000 0.283 367 K C -0.053 176.554 176.600 0.011 0.000 1.044 367 K CA -0.523 55.740 56.287 -0.041 0.000 0.944 367 K CB 0.699 33.213 32.500 0.022 0.000 1.012 367 K HN 0.247 nan 8.250 nan 0.000 0.472 368 K N 0.615 121.001 120.400 -0.023 0.000 2.316 368 K HA 0.393 4.711 4.320 -0.003 0.000 0.251 368 K C -0.645 176.031 176.600 0.126 0.000 0.934 368 K CA -0.453 55.870 56.287 0.060 0.000 0.802 368 K CB 1.917 34.384 32.500 -0.054 0.000 1.171 368 K HN 0.311 nan 8.250 nan 0.000 0.426 369 S N 2.579 118.411 115.700 0.221 0.000 2.454 369 S HA 0.648 5.116 4.470 -0.003 0.000 0.306 369 S C -0.648 174.089 174.600 0.229 0.000 1.100 369 S CA -0.794 57.578 58.200 0.287 0.000 1.087 369 S CB 0.489 63.903 63.200 0.357 0.000 1.019 369 S HN 0.464 nan 8.310 nan 0.000 0.480 370 M N 1.827 121.514 119.600 0.144 0.000 2.948 370 M HA 0.581 5.060 4.480 -0.003 0.000 0.278 370 M C -1.698 174.636 176.300 0.057 0.000 1.293 370 M CA -0.726 54.634 55.300 0.100 0.000 0.777 370 M CB 1.621 34.245 32.600 0.041 0.000 1.713 370 M HN 0.592 nan 8.290 nan 0.000 0.444 371 F N 1.809 121.720 119.950 -0.065 0.000 2.496 371 F HA 0.366 4.892 4.527 -0.002 0.000 0.341 371 F C -0.480 175.273 175.800 -0.079 0.000 1.134 371 F CA -0.259 57.684 58.000 -0.096 0.000 0.968 371 F CB 0.788 39.748 39.000 -0.066 0.000 1.205 371 F HN 0.698 nan 8.300 nan 0.000 0.436 372 D N 3.344 123.481 120.400 -0.437 0.000 2.760 372 D HA -0.212 4.426 4.640 -0.003 0.000 0.244 372 D C 0.962 177.172 176.300 -0.150 0.000 1.123 372 D CA 1.013 54.852 54.000 -0.269 0.000 0.719 372 D CB -0.781 39.962 40.800 -0.096 0.000 1.045 372 D HN 0.612 nan 8.370 nan 0.000 0.426 373 S N 0.429 116.030 115.700 -0.165 0.000 2.419 373 S HA -0.231 4.237 4.470 -0.003 0.000 0.233 373 S C 1.859 176.360 174.600 -0.165 0.000 1.016 373 S CA 1.404 59.524 58.200 -0.134 0.000 0.974 373 S CB 0.001 63.126 63.200 -0.125 0.000 0.786 373 S HN 0.550 nan 8.310 nan 0.000 0.492 374 K N 1.806 122.099 120.400 -0.179 0.000 2.097 374 K HA -0.105 4.213 4.320 -0.003 0.000 0.206 374 K C 2.519 178.870 176.600 -0.416 0.000 1.049 374 K CA 1.216 57.383 56.287 -0.200 0.000 0.933 374 K CB -0.240 32.196 32.500 -0.107 0.000 0.717 374 K HN 0.473 nan 8.250 nan 0.000 0.442 375 R N 0.222 120.412 120.500 -0.517 0.000 2.083 375 R HA -0.148 4.190 4.340 -0.003 0.000 0.237 375 R C 2.122 178.080 176.300 -0.570 0.000 1.137 375 R CA 1.614 57.148 56.100 -0.943 0.000 0.951 375 R CB -0.444 29.621 30.300 -0.392 0.000 0.851 375 R HN 0.271 nan 8.270 nan 0.000 0.434 376 A N 0.851 123.504 122.820 -0.278 0.000 1.877 376 A HA -0.075 4.243 4.320 -0.003 0.000 0.216 376 A C 2.443 179.932 177.584 -0.158 0.000 1.186 376 A CA 1.688 53.633 52.037 -0.154 0.000 0.620 376 A CB -0.950 18.004 19.000 -0.077 0.000 0.822 376 A HN 0.583 nan 8.150 nan 0.000 0.443 377 A N -0.569 122.141 122.820 -0.183 0.000 1.883 377 A HA -0.067 4.251 4.320 -0.003 0.000 0.217 377 A C 2.260 179.739 177.584 -0.175 0.000 1.186 377 A CA 2.044 53.980 52.037 -0.167 0.000 0.624 377 A CB -1.027 17.879 19.000 -0.157 0.000 0.822 377 A HN 0.426 nan 8.150 nan 0.000 0.444 378 V N -0.307 119.494 119.914 -0.188 0.000 2.307 378 V HA -0.204 3.914 4.120 -0.003 0.000 0.245 378 V C 3.055 179.229 176.094 0.133 0.000 1.045 378 V CA 1.843 64.118 62.300 -0.042 0.000 1.024 378 V CB -1.229 30.626 31.823 0.053 0.000 0.651 378 V HN 0.625 nan 8.190 nan 0.000 0.449 379 A N -0.309 122.535 122.820 0.041 0.000 1.940 379 A HA -0.169 4.149 4.320 -0.003 0.000 0.219 379 A C 2.198 179.856 177.584 0.123 0.000 1.176 379 A CA 1.811 53.928 52.037 0.134 0.000 0.631 379 A CB -0.505 18.510 19.000 0.025 0.000 0.814 379 A HN 0.523 nan 8.150 nan 0.000 0.446 380 L N -1.186 120.042 121.223 0.009 0.000 2.179 380 L HA -0.109 4.229 4.340 -0.003 0.000 0.208 380 L C 2.494 179.308 176.870 -0.093 0.000 1.096 380 L CA 1.220 56.047 54.840 -0.021 0.000 0.779 380 L CB -0.328 41.697 42.059 -0.056 0.000 0.922 380 L HN 0.313 nan 8.230 nan 0.000 0.443 381 K N -0.535 119.716 120.400 -0.249 0.000 2.103 381 K HA -0.205 4.113 4.320 -0.003 0.000 0.207 381 K C 1.889 178.184 176.600 -0.508 0.000 1.048 381 K CA 1.742 57.637 56.287 -0.653 0.000 0.930 381 K CB -0.231 31.457 32.500 -1.352 0.000 0.716 381 K HN 0.261 nan 8.250 nan 0.000 0.444 382 W N 1.231 122.447 121.300 -0.141 0.000 2.465 382 W HA -0.084 4.574 4.660 -0.003 0.000 0.268 382 W C 1.454 178.020 176.519 0.077 0.000 1.242 382 W CA 0.728 58.171 57.345 0.164 0.000 1.248 382 W CB 0.190 29.766 29.460 0.193 0.000 1.118 382 W HN -0.048 nan 8.180 nan 0.000 0.587 383 K N -0.420 120.100 120.400 0.199 0.000 2.387 383 K HA 0.245 4.563 4.320 -0.003 0.000 0.198 383 K C 1.294 177.930 176.600 0.061 0.000 1.022 383 K CA 0.532 56.895 56.287 0.127 0.000 1.128 383 K CB 0.328 32.886 32.500 0.097 0.000 0.853 383 K HN 0.046 nan 8.250 nan 0.000 0.523 384 G N 1.916 110.723 108.800 0.012 0.000 2.147 384 G HA2 -0.261 3.697 3.960 -0.003 0.000 0.244 384 G HA3 -0.261 3.697 3.960 -0.003 0.000 0.244 384 G C -0.028 174.846 174.900 -0.045 0.000 1.005 384 G CA -0.055 45.032 45.100 -0.022 0.000 0.713 384 G HN 0.261 nan 8.290 nan 0.000 0.515 385 I N 0.367 120.899 120.570 -0.062 0.000 2.378 385 I HA 0.381 4.549 4.170 -0.003 0.000 0.291 385 I C 0.319 176.370 176.117 -0.110 0.000 0.992 385 I CA -0.760 60.504 61.300 -0.060 0.000 1.154 385 I CB 1.837 39.826 38.000 -0.018 0.000 1.315 385 I HN 0.200 nan 8.210 nan 0.000 0.448 386 E N 6.190 126.324 120.200 -0.111 0.000 2.227 386 E HA 0.352 4.700 4.350 -0.003 0.000 0.282 386 E C -1.476 175.037 176.600 -0.145 0.000 1.015 386 E CA -0.827 55.491 56.400 -0.135 0.000 0.823 386 E CB 1.582 31.210 29.700 -0.120 0.000 1.081 386 E HN 0.383 nan 8.360 nan 0.000 0.396 387 L N 5.895 127.024 121.223 -0.156 0.000 2.287 387 L HA 0.429 4.768 4.340 -0.003 0.000 0.287 387 L C -1.477 175.287 176.870 -0.177 0.000 1.022 387 L CA -0.196 54.539 54.840 -0.175 0.000 0.814 387 L CB 0.734 42.700 42.059 -0.153 0.000 1.217 387 L HN 0.683 nan 8.230 nan 0.000 0.420 388 C N 2.314 121.486 119.300 -0.213 0.000 3.044 388 C HA 0.826 5.284 4.460 -0.003 0.000 0.315 388 C C 1.126 175.979 174.990 -0.228 0.000 1.320 388 C CA -0.026 58.878 59.018 -0.190 0.000 1.582 388 C CB 1.400 29.038 27.740 -0.170 0.000 2.039 388 C HN 1.089 nan 8.230 nan 0.000 0.466 389 G N 0.352 109.046 108.800 -0.176 0.000 2.148 389 G HA2 -0.189 3.769 3.960 -0.003 0.000 0.254 389 G HA3 -0.189 3.769 3.960 -0.003 0.000 0.254 389 G C -0.080 174.740 174.900 -0.133 0.000 0.981 389 G CA 0.315 45.313 45.100 -0.169 0.000 0.670 389 G HN 0.878 nan 8.290 nan 0.000 0.528 390 V N 2.104 121.949 119.914 -0.115 0.000 2.403 390 V HA 0.361 4.479 4.120 -0.003 0.000 0.265 390 V C 1.593 177.669 176.094 -0.029 0.000 1.034 390 V CA 1.068 63.325 62.300 -0.071 0.000 1.036 390 V CB 0.983 32.756 31.823 -0.084 0.000 1.032 390 V HN 0.823 nan 8.190 nan 0.000 0.478 391 S N 4.082 119.796 115.700 0.023 0.000 2.535 391 S HA 0.268 4.736 4.470 -0.003 0.000 0.214 391 S C -0.112 174.585 174.600 0.162 0.000 0.980 391 S CA -0.145 58.092 58.200 0.062 0.000 0.907 391 S CB 0.099 63.333 63.200 0.057 0.000 0.790 391 S HN 0.572 nan 8.310 nan 0.000 0.510 392 F N 1.552 121.486 119.950 -0.027 0.000 2.623 392 F HA 0.506 5.031 4.527 -0.003 0.000 0.323 392 F C -2.184 173.593 175.800 -0.037 0.000 1.158 392 F CA -0.967 57.017 58.000 -0.025 0.000 1.030 392 F CB 1.668 40.657 39.000 -0.018 0.000 1.280 392 F HN -0.033 nan 8.300 nan 0.000 0.474 393 D N 6.247 126.141 120.400 -0.843 0.000 2.462 393 D HA 0.161 4.799 4.640 -0.003 0.000 0.245 393 D C 0.617 176.300 176.300 -1.029 0.000 1.122 393 D CA -0.288 53.293 54.000 -0.698 0.000 0.864 393 D CB 1.735 42.287 40.800 -0.415 0.000 1.098 393 D HN 0.689 nan 8.370 nan 0.000 0.541 394 L N 5.204 125.893 121.223 -0.890 0.000 2.079 394 L HA -0.118 4.220 4.340 -0.003 0.000 0.210 394 L C 1.889 178.479 176.870 -0.467 0.000 1.081 394 L CA 1.525 55.997 54.840 -0.613 0.000 0.752 394 L CB -0.590 41.410 42.059 -0.098 0.000 0.896 394 L HN 0.535 nan 8.230 nan 0.000 0.433 395 L N -0.884 119.873 121.223 -0.778 0.000 2.017 395 L HA -0.193 4.146 4.340 -0.003 0.000 0.208 395 L C 2.260 178.932 176.870 -0.330 0.000 1.073 395 L CA 1.918 56.249 54.840 -0.847 0.000 0.745 395 L CB -0.637 40.635 42.059 -1.312 0.000 0.894 395 L HN 0.283 nan 8.230 nan 0.000 0.432 396 L N -0.591 120.444 121.223 -0.312 0.000 2.141 396 L HA -0.126 4.212 4.340 -0.003 0.000 0.209 396 L C 2.672 179.549 176.870 0.011 0.000 1.094 396 L CA 0.953 55.735 54.840 -0.098 0.000 0.763 396 L CB -0.956 41.024 42.059 -0.132 0.000 0.908 396 L HN 0.410 nan 8.230 nan 0.000 0.437 397 A N 0.257 123.024 122.820 -0.088 0.000 1.873 397 A HA -0.145 4.173 4.320 -0.003 0.000 0.215 397 A C 2.561 180.312 177.584 0.278 0.000 1.186 397 A CA 1.685 53.787 52.037 0.109 0.000 0.616 397 A CB -0.679 18.412 19.000 0.153 0.000 0.823 397 A HN 0.373 nan 8.150 nan 0.000 0.442 398 A N -1.443 121.540 122.820 0.273 0.000 1.902 398 A HA -0.117 4.201 4.320 -0.003 0.000 0.217 398 A C 2.149 179.904 177.584 0.286 0.000 1.181 398 A CA 1.742 54.019 52.037 0.400 0.000 0.623 398 A CB -0.876 18.336 19.000 0.353 0.000 0.818 398 A HN 0.740 nan 8.150 nan 0.000 0.443 399 Y N 0.674 121.028 120.300 0.090 0.000 2.128 399 Y HA -0.196 4.352 4.550 -0.004 0.000 0.284 399 Y C 1.935 177.882 175.900 0.077 0.000 1.154 399 Y CA 1.864 60.006 58.100 0.070 0.000 1.149 399 Y CB -0.412 38.060 38.460 0.020 0.000 0.976 399 Y HN 0.221 nan 8.280 nan 0.000 0.505 400 L N -0.732 120.488 121.223 -0.006 0.000 2.093 400 L HA -0.225 4.113 4.340 -0.003 0.000 0.208 400 L C 2.488 179.322 176.870 -0.060 0.000 1.085 400 L CA 1.063 55.836 54.840 -0.111 0.000 0.755 400 L CB -0.597 41.465 42.059 0.006 0.000 0.904 400 L HN 0.283 nan 8.230 nan 0.000 0.435 401 L N -0.855 120.397 121.223 0.047 0.000 2.093 401 L HA -0.099 4.239 4.340 -0.003 0.000 0.208 401 L C 0.281 177.218 176.870 0.112 0.000 1.085 401 L CA 0.941 55.819 54.840 0.063 0.000 0.755 401 L CB -0.042 42.066 42.059 0.081 0.000 0.904 401 L HN 0.262 nan 8.230 nan 0.000 0.435 402 D N -2.399 118.064 120.400 0.105 0.000 2.362 402 D HA 0.137 4.775 4.640 -0.003 0.000 0.228 402 D C -2.144 174.222 176.300 0.111 0.000 1.326 402 D CA -1.123 52.972 54.000 0.158 0.000 0.927 402 D CB 1.177 42.081 40.800 0.174 0.000 1.501 402 D HN -0.255 nan 8.370 nan 0.000 0.519 403 P HA -0.040 nan 4.420 nan 0.000 0.219 403 P C 1.145 178.546 177.300 0.170 0.000 1.146 403 P CA 1.120 64.259 63.100 0.065 0.000 0.808 403 P CB 0.336 31.985 31.700 -0.085 0.000 0.779 404 A N -0.525 122.383 122.820 0.147 0.000 2.067 404 A HA -0.202 4.116 4.320 -0.003 0.000 0.219 404 A C 2.320 179.983 177.584 0.132 0.000 1.158 404 A CA 1.298 53.421 52.037 0.143 0.000 0.661 404 A CB -1.116 17.970 19.000 0.143 0.000 0.801 404 A HN 0.074 nan 8.150 nan 0.000 0.452 405 Q N -0.353 119.529 119.800 0.137 0.000 2.226 405 Q HA 0.052 4.390 4.340 -0.003 0.000 0.204 405 Q C 1.247 177.330 176.000 0.138 0.000 0.975 405 Q CA 1.232 57.110 55.803 0.125 0.000 0.866 405 Q CB -0.693 28.125 28.738 0.133 0.000 0.915 405 Q HN 1.065 nan 8.270 nan 0.000 0.440 406 G N -0.429 108.470 108.800 0.164 0.000 2.198 406 G HA2 -0.230 3.728 3.960 -0.003 0.000 0.257 406 G HA3 -0.230 3.728 3.960 -0.003 0.000 0.257 406 G C -0.286 174.715 174.900 0.169 0.000 1.042 406 G CA 0.220 45.415 45.100 0.159 0.000 0.791 406 G HN 0.268 nan 8.290 nan 0.000 0.502 407 V N 1.371 121.406 119.914 0.203 0.000 2.493 407 V HA 0.299 4.418 4.120 -0.003 0.000 0.292 407 V C 1.135 177.387 176.094 0.263 0.000 1.016 407 V CA 1.148 63.590 62.300 0.236 0.000 1.097 407 V CB 1.072 33.065 31.823 0.283 0.000 0.947 407 V HN 0.637 nan 8.190 nan 0.000 0.479 408 D N 1.819 122.377 120.400 0.264 0.000 2.525 408 D HA 0.145 4.783 4.640 -0.003 0.000 0.231 408 D C -0.076 176.416 176.300 0.319 0.000 1.216 408 D CA -0.130 54.042 54.000 0.286 0.000 0.813 408 D CB 0.527 41.434 40.800 0.178 0.000 1.108 408 D HN 0.644 nan 8.370 nan 0.000 0.524 409 D N -1.365 119.141 120.400 0.176 0.000 2.599 409 D HA 0.088 4.726 4.640 -0.003 0.000 0.252 409 D C 0.890 176.784 176.300 -0.676 0.000 1.232 409 D CA -0.828 53.004 54.000 -0.280 0.000 0.819 409 D CB 1.411 42.163 40.800 -0.079 0.000 1.401 409 D HN -0.242 nan 8.370 nan 0.000 0.429 410 V N 0.745 120.039 119.914 -1.034 0.000 2.392 410 V HA -0.193 3.926 4.120 -0.003 0.000 0.249 410 V C 2.587 178.545 176.094 -0.228 0.000 1.059 410 V CA 2.754 64.626 62.300 -0.712 0.000 1.051 410 V CB -1.108 30.402 31.823 -0.522 0.000 0.658 410 V HN 0.789 nan 8.190 nan 0.000 0.455 411 A N -0.032 122.717 122.820 -0.118 0.000 1.902 411 A HA -0.130 4.188 4.320 -0.003 0.000 0.217 411 A C 2.440 180.060 177.584 0.059 0.000 1.181 411 A CA 2.097 54.144 52.037 0.018 0.000 0.623 411 A CB -0.761 18.265 19.000 0.044 0.000 0.818 411 A HN 0.580 nan 8.150 nan 0.000 0.443 412 A N -0.205 122.646 122.820 0.051 0.000 1.902 412 A HA 0.158 4.477 4.320 -0.003 0.000 0.217 412 A C 2.497 180.180 177.584 0.164 0.000 1.181 412 A CA 2.123 54.225 52.037 0.109 0.000 0.623 412 A CB -0.963 18.110 19.000 0.123 0.000 0.818 412 A HN 1.022 nan 8.150 nan 0.000 0.443 413 A N -0.143 122.782 122.820 0.176 0.000 1.873 413 A HA 0.205 4.524 4.320 -0.003 0.000 0.215 413 A C 2.519 180.295 177.584 0.319 0.000 1.186 413 A CA 1.985 54.186 52.037 0.274 0.000 0.616 413 A CB -1.095 18.022 19.000 0.196 0.000 0.823 413 A HN 1.090 nan 8.150 nan 0.000 0.442 414 A N -0.344 122.584 122.820 0.180 0.000 1.978 414 A HA -0.198 4.120 4.320 -0.003 0.000 0.220 414 A C 2.101 179.848 177.584 0.271 0.000 1.170 414 A CA 2.021 54.183 52.037 0.208 0.000 0.636 414 A CB -0.464 18.619 19.000 0.140 0.000 0.810 414 A HN 0.539 nan 8.150 nan 0.000 0.448 415 K N -0.936 119.592 120.400 0.213 0.000 2.280 415 K HA -0.042 4.276 4.320 -0.003 0.000 0.202 415 K C 1.865 178.555 176.600 0.149 0.000 1.047 415 K CA 1.258 57.646 56.287 0.168 0.000 0.942 415 K CB -0.228 32.347 32.500 0.125 0.000 0.739 415 K HN 0.547 nan 8.250 nan 0.000 0.457 416 M N -0.109 119.599 119.600 0.180 0.000 2.279 416 M HA -0.132 4.346 4.480 -0.003 0.000 0.264 416 M C 0.877 177.212 176.300 0.058 0.000 1.062 416 M CA 1.402 56.770 55.300 0.112 0.000 1.099 416 M CB 0.261 32.943 32.600 0.137 0.000 1.394 416 M HN -0.164 nan 8.290 nan 0.000 0.426 417 K N 0.092 120.568 120.400 0.126 0.000 2.593 417 K HA 0.121 4.440 4.320 -0.003 0.000 0.208 417 K C -0.360 176.324 176.600 0.141 0.000 1.051 417 K CA 0.037 56.382 56.287 0.097 0.000 1.111 417 K CB 0.379 32.956 32.500 0.129 0.000 0.849 417 K HN 0.024 nan 8.250 nan 0.000 0.479 418 Q N -1.134 118.741 119.800 0.126 0.000 2.457 418 Q HA -0.284 4.054 4.340 -0.003 0.000 0.283 418 Q C -0.992 175.096 176.000 0.146 0.000 1.234 418 Q CA 0.873 56.740 55.803 0.107 0.000 0.877 418 Q CB -2.693 26.082 28.738 0.061 0.000 1.250 418 Q HN 0.472 nan 8.270 nan 0.000 0.481 419 Y N 0.072 120.416 120.300 0.073 0.000 2.334 419 Y HA 0.377 4.929 4.550 0.003 0.000 0.336 419 Y C 0.636 176.574 175.900 0.063 0.000 0.960 419 Y CA -0.662 57.482 58.100 0.072 0.000 1.164 419 Y CB 0.955 39.474 38.460 0.099 0.000 1.155 419 Y HN 0.057 nan 8.280 nan 0.000 0.478 420 E N 3.681 123.855 120.200 -0.044 0.000 2.758 420 E HA 0.271 4.620 4.350 -0.003 0.000 0.215 420 E C 0.151 176.730 176.600 -0.035 0.000 0.985 420 E CA -0.115 56.304 56.400 0.032 0.000 1.102 420 E CB 0.767 30.475 29.700 0.013 0.000 1.042 420 E HN 0.635 nan 8.360 nan 0.000 0.480 421 A N 1.450 124.149 122.820 -0.201 0.000 3.019 421 A HA 0.317 4.635 4.320 -0.003 0.000 0.262 421 A C -0.067 177.593 177.584 0.127 0.000 1.509 421 A CA 0.012 51.987 52.037 -0.104 0.000 1.159 421 A CB -0.002 18.831 19.000 -0.278 0.000 1.042 421 A HN 0.105 nan 8.150 nan 0.000 0.641 422 V N -0.240 119.765 119.914 0.152 0.000 3.023 422 V HA 0.431 4.549 4.120 -0.003 0.000 0.294 422 V C -1.096 175.071 176.094 0.122 0.000 1.324 422 V CA -0.971 61.424 62.300 0.159 0.000 0.979 422 V CB 1.956 33.889 31.823 0.184 0.000 1.093 422 V HN 0.691 nan 8.190 nan 0.000 0.434 423 R N 5.217 125.797 120.500 0.133 0.000 2.500 423 R HA 0.571 4.909 4.340 -0.003 0.000 0.277 423 R C -2.586 173.764 176.300 0.084 0.000 1.026 423 R CA -1.676 54.459 56.100 0.059 0.000 1.058 423 R CB 0.966 31.233 30.300 -0.055 0.000 1.078 423 R HN 0.485 nan 8.270 nan 0.000 0.509 424 P HA -0.007 nan 4.420 nan 0.000 0.271 424 P C -0.231 177.061 177.300 -0.014 0.000 1.218 424 P CA -0.083 63.032 63.100 0.025 0.000 0.780 424 P CB 0.624 32.332 31.700 0.014 0.000 0.901 425 D N 1.330 121.769 120.400 0.065 0.000 2.123 425 D HA -0.193 4.445 4.640 -0.003 0.000 0.196 425 D C 1.573 177.887 176.300 0.023 0.000 0.992 425 D CA 1.418 55.480 54.000 0.103 0.000 0.833 425 D CB -0.191 40.790 40.800 0.302 0.000 0.954 425 D HN 0.594 nan 8.370 nan 0.000 0.455 426 E N 0.288 120.521 120.200 0.054 0.000 2.160 426 E HA -0.170 4.178 4.350 -0.003 0.000 0.195 426 E C 1.899 178.480 176.600 -0.031 0.000 0.991 426 E CA 0.999 57.427 56.400 0.046 0.000 0.810 426 E CB 0.037 29.764 29.700 0.046 0.000 0.742 426 E HN 0.192 nan 8.360 nan 0.000 0.466 427 A N 0.051 122.818 122.820 -0.088 0.000 2.015 427 A HA -0.084 4.234 4.320 -0.003 0.000 0.219 427 A C 2.227 179.681 177.584 -0.216 0.000 1.163 427 A CA 1.131 53.094 52.037 -0.122 0.000 0.646 427 A CB -0.096 18.837 19.000 -0.112 0.000 0.806 427 A HN 0.210 nan 8.150 nan 0.000 0.448 428 V N -2.084 117.591 119.914 -0.399 0.000 2.426 428 V HA -0.106 4.012 4.120 -0.003 0.000 0.242 428 V C 2.004 177.808 176.094 -0.483 0.000 1.036 428 V CA 1.247 63.185 62.300 -0.603 0.000 1.044 428 V CB -0.886 30.215 31.823 -1.202 0.000 0.688 428 V HN 0.622 nan 8.190 nan 0.000 0.462 429 Y N 0.964 121.207 120.300 -0.096 0.000 2.482 429 Y HA 0.516 5.065 4.550 -0.002 0.000 0.270 429 Y C 1.568 177.452 175.900 -0.026 0.000 1.152 429 Y CA 0.105 58.181 58.100 -0.040 0.000 1.292 429 Y CB -0.576 37.878 38.460 -0.009 0.000 1.070 429 Y HN 0.335 nan 8.280 nan 0.000 0.528 430 G N 0.960 109.800 108.800 0.067 0.000 2.782 430 G HA2 -0.262 3.696 3.960 -0.003 0.000 0.228 430 G HA3 -0.262 3.696 3.960 -0.003 0.000 0.228 430 G C -0.662 174.279 174.900 0.068 0.000 1.372 430 G CA -0.266 44.862 45.100 0.047 0.000 0.862 430 G HN 0.277 nan 8.290 nan 0.000 0.547 431 K N -0.263 120.164 120.400 0.046 0.000 2.464 431 K HA 0.611 4.929 4.320 -0.003 0.000 0.253 431 K C 0.944 177.563 176.600 0.032 0.000 0.933 431 K CA 0.610 56.923 56.287 0.043 0.000 0.801 431 K CB 1.378 33.900 32.500 0.037 0.000 1.271 431 K HN 2.632 nan 8.250 nan 0.000 0.430 432 G N 1.877 110.694 108.800 0.028 0.000 2.550 432 G HA2 -0.403 3.555 3.960 -0.003 0.000 0.277 432 G HA3 -0.403 3.555 3.960 -0.003 0.000 0.277 432 G C 0.845 175.755 174.900 0.016 0.000 1.190 432 G CA 0.435 45.547 45.100 0.019 0.000 0.971 432 G HN 0.908 nan 8.290 nan 0.000 0.559 433 A N -0.372 122.456 122.820 0.013 0.000 1.978 433 A HA -0.010 4.308 4.320 -0.003 0.000 0.220 433 A C 2.153 179.745 177.584 0.014 0.000 1.170 433 A CA 2.507 54.550 52.037 0.011 0.000 0.636 433 A CB -0.434 18.571 19.000 0.008 0.000 0.810 433 A HN 0.700 nan 8.150 nan 0.000 0.448 434 K N -0.656 119.754 120.400 0.017 0.000 2.525 434 K HA 0.036 4.354 4.320 -0.003 0.000 0.192 434 K C 0.793 177.411 176.600 0.030 0.000 1.029 434 K CA -0.171 56.127 56.287 0.019 0.000 1.029 434 K CB 0.010 32.520 32.500 0.016 0.000 0.814 434 K HN 0.363 nan 8.250 nan 0.000 0.503 435 R N 1.091 121.612 120.500 0.035 0.000 2.640 435 R HA 0.145 4.483 4.340 -0.003 0.000 0.270 435 R C -0.789 175.543 176.300 0.053 0.000 1.024 435 R CA 0.321 56.453 56.100 0.053 0.000 1.085 435 R CB 0.409 30.733 30.300 0.040 0.000 0.963 435 R HN 0.156 nan 8.270 nan 0.000 0.426 436 A N 2.559 125.433 122.820 0.089 0.000 2.590 436 A HA 0.298 4.616 4.320 -0.003 0.000 0.294 436 A C -1.503 176.176 177.584 0.158 0.000 1.046 436 A CA -0.831 51.256 52.037 0.083 0.000 0.684 436 A CB 1.106 20.140 19.000 0.057 0.000 1.279 436 A HN 0.431 nan 8.150 nan 0.000 0.415 437 V N 3.854 123.845 119.914 0.128 0.000 2.455 437 V HA 0.399 4.517 4.120 -0.003 0.000 0.273 437 V C -1.281 174.897 176.094 0.140 0.000 1.045 437 V CA -0.589 61.827 62.300 0.194 0.000 0.976 437 V CB 0.518 32.412 31.823 0.118 0.000 0.993 437 V HN 0.864 nan 8.190 nan 0.000 0.475 438 P HA 0.211 nan 4.420 nan 0.000 0.275 438 P C -0.450 176.874 177.300 0.040 0.000 1.266 438 P CA -0.581 62.548 63.100 0.048 0.000 0.793 438 P CB 0.702 32.394 31.700 -0.014 0.000 1.074 439 D N 0.025 120.433 120.400 0.013 0.000 2.378 439 D HA -0.054 4.584 4.640 -0.003 0.000 0.238 439 D C 1.340 177.635 176.300 -0.009 0.000 1.180 439 D CA 0.072 54.077 54.000 0.008 0.000 0.895 439 D CB 0.539 41.339 40.800 -0.001 0.000 1.192 439 D HN 0.510 nan 8.370 nan 0.000 0.438 440 E N 0.733 120.927 120.200 -0.010 0.000 2.086 440 E HA -0.192 4.156 4.350 -0.003 0.000 0.200 440 E C -0.922 175.596 176.600 -0.138 0.000 1.012 440 E CA 1.288 57.651 56.400 -0.062 0.000 0.812 440 E CB -0.385 29.306 29.700 -0.014 0.000 0.743 440 E HN 0.266 nan 8.360 nan 0.000 0.453 441 P HA -0.147 nan 4.420 nan 0.000 0.215 441 P C 1.374 178.646 177.300 -0.047 0.000 1.153 441 P CA 1.091 64.166 63.100 -0.043 0.000 0.853 441 P CB 0.092 31.781 31.700 -0.018 0.000 0.788 442 V N -0.522 119.358 119.914 -0.055 0.000 2.379 442 V HA -0.166 3.952 4.120 -0.003 0.000 0.245 442 V C 2.386 178.433 176.094 -0.078 0.000 1.044 442 V CA 1.247 63.511 62.300 -0.060 0.000 1.036 442 V CB -1.095 30.689 31.823 -0.064 0.000 0.664 442 V HN 0.100 nan 8.190 nan 0.000 0.453 443 L N 0.273 121.446 121.223 -0.083 0.000 1.994 443 L HA -0.191 4.147 4.340 -0.003 0.000 0.208 443 L C 2.651 179.421 176.870 -0.168 0.000 1.071 443 L CA 2.102 56.916 54.840 -0.044 0.000 0.745 443 L CB -0.607 41.459 42.059 0.012 0.000 0.892 443 L HN 0.363 nan 8.230 nan 0.000 0.431 444 A N -0.295 122.221 122.820 -0.507 0.000 1.908 444 A HA -0.321 3.997 4.320 -0.003 0.000 0.218 444 A C 2.149 179.353 177.584 -0.632 0.000 1.181 444 A CA 2.116 53.593 52.037 -0.932 0.000 0.627 444 A CB -0.677 17.567 19.000 -1.258 0.000 0.818 444 A HN 0.656 nan 8.150 nan 0.000 0.445 445 E N -1.375 118.623 120.200 -0.336 0.000 2.106 445 E HA -0.274 4.074 4.350 -0.003 0.000 0.192 445 E C 1.904 178.430 176.600 -0.124 0.000 0.984 445 E CA 1.342 57.612 56.400 -0.217 0.000 0.806 445 E CB -0.273 29.456 29.700 0.048 0.000 0.750 445 E HN 0.763 nan 8.360 nan 0.000 0.458 446 H N 0.803 119.773 119.070 -0.166 0.000 2.293 446 H HA -0.078 4.475 4.556 -0.004 0.000 0.300 446 H C 1.988 177.266 175.328 -0.084 0.000 1.082 446 H CA 2.039 58.015 56.048 -0.120 0.000 1.308 446 H CB -0.344 29.327 29.762 -0.152 0.000 1.375 446 H HN 0.170 nan 8.280 nan 0.000 0.495 447 L N -0.577 120.555 121.223 -0.151 0.000 2.083 447 L HA -0.153 4.185 4.340 -0.003 0.000 0.209 447 L C 2.571 179.358 176.870 -0.138 0.000 1.083 447 L CA 1.162 55.923 54.840 -0.132 0.000 0.752 447 L CB -0.565 41.545 42.059 0.086 0.000 0.899 447 L HN 0.216 nan 8.230 nan 0.000 0.433 448 V N -0.146 119.641 119.914 -0.212 0.000 2.427 448 V HA -0.233 3.885 4.120 -0.003 0.000 0.248 448 V C 2.614 178.642 176.094 -0.111 0.000 1.051 448 V CA 1.576 63.747 62.300 -0.215 0.000 1.048 448 V CB -0.548 30.980 31.823 -0.492 0.000 0.666 448 V HN 0.406 nan 8.190 nan 0.000 0.456 449 R N -0.161 120.280 120.500 -0.097 0.000 2.115 449 R HA -0.122 4.216 4.340 -0.003 0.000 0.230 449 R C 2.384 178.673 176.300 -0.019 0.000 1.111 449 R CA 1.238 57.336 56.100 -0.004 0.000 0.976 449 R CB -0.214 30.109 30.300 0.039 0.000 0.870 449 R HN 0.491 nan 8.270 nan 0.000 0.445 450 K N 0.165 120.487 120.400 -0.130 0.000 2.057 450 K HA -0.048 4.270 4.320 -0.003 0.000 0.206 450 K C 2.131 178.699 176.600 -0.052 0.000 1.050 450 K CA 1.297 57.498 56.287 -0.145 0.000 0.935 450 K CB -0.093 32.247 32.500 -0.267 0.000 0.715 450 K HN 0.114 nan 8.250 nan 0.000 0.439 451 A N 1.528 124.335 122.820 -0.022 0.000 1.902 451 A HA -0.123 4.196 4.320 -0.003 0.000 0.217 451 A C 2.370 180.009 177.584 0.091 0.000 1.181 451 A CA 1.853 53.918 52.037 0.048 0.000 0.623 451 A CB -0.724 18.297 19.000 0.035 0.000 0.818 451 A HN 0.330 nan 8.150 nan 0.000 0.443 452 A N -0.113 122.746 122.820 0.065 0.000 1.902 452 A HA 0.147 4.465 4.320 -0.003 0.000 0.217 452 A C 2.511 180.169 177.584 0.123 0.000 1.181 452 A CA 2.147 54.262 52.037 0.130 0.000 0.623 452 A CB -1.024 18.056 19.000 0.132 0.000 0.818 452 A HN 1.046 nan 8.150 nan 0.000 0.443 453 A N -0.014 122.797 122.820 -0.016 0.000 1.877 453 A HA -0.093 4.225 4.320 -0.003 0.000 0.216 453 A C 2.127 179.592 177.584 -0.199 0.000 1.186 453 A CA 1.556 53.383 52.037 -0.351 0.000 0.620 453 A CB -0.641 18.155 19.000 -0.339 0.000 0.822 453 A HN 0.495 nan 8.150 nan 0.000 0.443 454 I N -1.727 118.831 120.570 -0.020 0.000 2.208 454 I HA -0.296 3.872 4.170 -0.003 0.000 0.245 454 I C 2.534 178.732 176.117 0.136 0.000 1.097 454 I CA 1.497 62.848 61.300 0.084 0.000 1.363 454 I CB -0.364 37.738 38.000 0.169 0.000 1.051 454 I HN 0.714 nan 8.210 nan 0.000 0.413 455 W N 2.180 123.471 121.300 -0.016 0.000 2.335 455 W HA -0.302 4.354 4.660 -0.008 0.000 0.311 455 W C 2.433 178.930 176.519 -0.036 0.000 1.213 455 W CA 2.189 59.530 57.345 -0.007 0.000 1.274 455 W CB -0.030 29.442 29.460 0.021 0.000 1.148 455 W HN 0.191 nan 8.180 nan 0.000 0.498 456 E N 0.583 120.814 120.200 0.052 0.000 2.107 456 E HA -0.168 4.180 4.350 -0.003 0.000 0.191 456 E C 2.202 178.744 176.600 -0.096 0.000 0.982 456 E CA 1.603 57.978 56.400 -0.042 0.000 0.809 456 E CB -0.876 28.863 29.700 0.066 0.000 0.756 456 E HN 0.338 nan 8.360 nan 0.000 0.459 457 L N 0.499 121.659 121.223 -0.104 0.000 2.418 457 L HA 0.060 4.398 4.340 -0.003 0.000 0.218 457 L C 2.459 179.325 176.870 -0.007 0.000 1.125 457 L CA 0.684 55.530 54.840 0.010 0.000 0.835 457 L CB -0.355 41.700 42.059 -0.007 0.000 0.953 457 L HN 0.256 nan 8.230 nan 0.000 0.454 458 E N 0.912 120.951 120.200 -0.268 0.000 2.049 458 E HA -0.332 4.016 4.350 -0.003 0.000 0.198 458 E C 2.261 178.568 176.600 -0.489 0.000 1.007 458 E CA 1.697 57.646 56.400 -0.753 0.000 0.809 458 E CB 0.104 29.298 29.700 -0.843 0.000 0.749 458 E HN 0.197 nan 8.360 nan 0.000 0.450 459 R N 0.665 120.978 120.500 -0.312 0.000 2.082 459 R HA -0.111 4.227 4.340 -0.003 0.000 0.234 459 R C -0.790 175.462 176.300 -0.080 0.000 1.136 459 R CA 2.428 58.411 56.100 -0.195 0.000 0.935 459 R CB -1.413 28.783 30.300 -0.174 0.000 0.842 459 R HN 0.303 nan 8.270 nan 0.000 0.430 460 P HA -0.153 nan 4.420 nan 0.000 0.216 460 P C 1.136 178.438 177.300 0.003 0.000 1.150 460 P CA 1.364 64.464 63.100 0.001 0.000 0.837 460 P CB -0.180 31.536 31.700 0.026 0.000 0.786 461 F N -0.177 119.760 119.950 -0.022 0.000 2.113 461 F HA -0.062 4.462 4.527 -0.005 0.000 0.297 461 F C 2.643 178.481 175.800 0.063 0.000 1.103 461 F CA 1.174 59.217 58.000 0.071 0.000 1.248 461 F CB -1.243 37.895 39.000 0.230 0.000 0.999 461 F HN -0.259 nan 8.300 nan 0.000 0.475 462 L N -0.482 120.833 121.223 0.153 0.000 2.083 462 L HA -0.229 4.109 4.340 -0.003 0.000 0.209 462 L C 1.988 178.881 176.870 0.039 0.000 1.083 462 L CA 1.161 56.054 54.840 0.088 0.000 0.752 462 L CB -0.613 41.424 42.059 -0.037 0.000 0.899 462 L HN 0.069 nan 8.230 nan 0.000 0.433 463 D N -0.309 120.092 120.400 0.001 0.000 2.117 463 D HA -0.211 4.428 4.640 -0.003 0.000 0.198 463 D C 2.043 178.335 176.300 -0.014 0.000 0.982 463 D CA 1.068 55.059 54.000 -0.014 0.000 0.828 463 D CB 0.054 40.836 40.800 -0.030 0.000 0.967 463 D HN 0.349 nan 8.370 nan 0.000 0.464 464 E N 0.156 120.338 120.200 -0.032 0.000 2.106 464 E HA -0.097 4.251 4.350 -0.003 0.000 0.192 464 E C 2.277 178.868 176.600 -0.015 0.000 0.984 464 E CA 0.309 56.679 56.400 -0.049 0.000 0.806 464 E CB -0.015 29.613 29.700 -0.120 0.000 0.750 464 E HN 0.198 nan 8.360 nan 0.000 0.458 465 L N 0.357 121.596 121.223 0.026 0.000 2.042 465 L HA -0.198 4.140 4.340 -0.003 0.000 0.210 465 L C 2.737 179.630 176.870 0.039 0.000 1.076 465 L CA 1.312 56.182 54.840 0.051 0.000 0.749 465 L CB -0.296 41.827 42.059 0.108 0.000 0.893 465 L HN 0.092 nan 8.230 nan 0.000 0.432 466 R N -0.434 120.086 120.500 0.033 0.000 2.081 466 R HA -0.129 4.209 4.340 -0.003 0.000 0.235 466 R C 2.412 178.724 176.300 0.020 0.000 1.131 466 R CA 1.199 57.316 56.100 0.029 0.000 0.960 466 R CB -0.306 30.005 30.300 0.019 0.000 0.856 466 R HN 0.327 nan 8.270 nan 0.000 0.436 467 R N 0.361 120.864 120.500 0.006 0.000 2.096 467 R HA -0.067 4.271 4.340 -0.003 0.000 0.235 467 R C 1.394 177.691 176.300 -0.005 0.000 1.127 467 R CA 1.200 57.300 56.100 -0.001 0.000 0.968 467 R CB -0.252 30.041 30.300 -0.010 0.000 0.861 467 R HN 0.202 nan 8.270 nan 0.000 0.440 468 N N 0.787 119.479 118.700 -0.014 0.000 2.461 468 N HA -0.046 4.693 4.740 -0.003 0.000 0.188 468 N C -0.518 174.987 175.510 -0.009 0.000 1.134 468 N CA 0.373 53.398 53.050 -0.041 0.000 0.878 468 N CB 0.170 38.617 38.487 -0.067 0.000 0.972 468 N HN 0.174 nan 8.380 nan 0.000 0.456 469 E N -0.514 119.710 120.200 0.039 0.000 2.389 469 E HA -0.267 4.081 4.350 -0.003 0.000 0.243 469 E C -0.266 176.447 176.600 0.188 0.000 1.154 469 E CA 0.272 56.744 56.400 0.119 0.000 0.723 469 E CB -1.497 28.287 29.700 0.141 0.000 1.261 469 E HN 0.552 nan 8.360 nan 0.000 0.390 470 Q N -0.667 119.193 119.800 0.100 0.000 2.149 470 Q HA -0.008 4.330 4.340 -0.003 0.000 0.221 470 Q C 1.363 177.404 176.000 0.067 0.000 0.807 470 Q CA 0.242 56.096 55.803 0.086 0.000 1.000 470 Q CB 0.516 29.285 28.738 0.052 0.000 1.157 470 Q HN 0.371 nan 8.270 nan 0.000 0.487 471 D N 0.979 121.418 120.400 0.066 0.000 2.144 471 D HA -0.206 4.432 4.640 -0.003 0.000 0.199 471 D C 1.503 177.832 176.300 0.048 0.000 0.984 471 D CA 0.904 54.943 54.000 0.065 0.000 0.834 471 D CB 0.001 40.835 40.800 0.057 0.000 0.955 471 D HN 0.145 nan 8.370 nan 0.000 0.465 472 R N -0.308 120.210 120.500 0.029 0.000 2.115 472 R HA 0.027 4.365 4.340 -0.003 0.000 0.226 472 R C 2.422 178.723 176.300 0.001 0.000 1.100 472 R CA 0.356 56.461 56.100 0.007 0.000 0.980 472 R CB -0.345 29.946 30.300 -0.015 0.000 0.875 472 R HN 0.125 nan 8.270 nan 0.000 0.445 473 L N 0.849 122.074 121.223 0.004 0.000 2.083 473 L HA -0.139 4.199 4.340 -0.003 0.000 0.209 473 L C 1.883 178.765 176.870 0.019 0.000 1.083 473 L CA 1.525 56.367 54.840 0.003 0.000 0.752 473 L CB -0.418 41.650 42.059 0.014 0.000 0.899 473 L HN 0.149 nan 8.230 nan 0.000 0.433 474 L N -1.591 119.653 121.223 0.035 0.000 2.007 474 L HA -0.078 4.260 4.340 -0.003 0.000 0.205 474 L C 2.298 179.181 176.870 0.022 0.000 1.073 474 L CA 1.803 56.665 54.840 0.036 0.000 0.744 474 L CB -0.673 41.427 42.059 0.068 0.000 0.898 474 L HN 0.047 nan 8.230 nan 0.000 0.435 475 V N -0.298 119.637 119.914 0.034 0.000 2.427 475 V HA -0.218 3.900 4.120 -0.003 0.000 0.248 475 V C 2.261 178.358 176.094 0.005 0.000 1.051 475 V CA 2.101 64.416 62.300 0.026 0.000 1.048 475 V CB -0.674 31.171 31.823 0.037 0.000 0.666 475 V HN 0.514 nan 8.190 nan 0.000 0.456 476 E N -1.161 119.039 120.200 0.000 0.000 2.415 476 E HA 0.123 4.471 4.350 -0.003 0.000 0.197 476 E C 1.617 178.208 176.600 -0.014 0.000 1.007 476 E CA 0.205 56.598 56.400 -0.010 0.000 0.890 476 E CB 0.611 30.301 29.700 -0.015 0.000 0.891 476 E HN 0.467 nan 8.360 nan 0.000 0.496 477 L N 0.089 121.306 121.223 -0.010 0.000 2.777 477 L HA 0.109 4.447 4.340 -0.003 0.000 0.172 477 L C 1.809 178.676 176.870 -0.005 0.000 1.179 477 L CA 0.403 55.238 54.840 -0.009 0.000 0.859 477 L CB 0.258 42.313 42.059 -0.007 0.000 1.269 477 L HN -0.209 nan 8.230 nan 0.000 0.511 478 E N 0.185 120.389 120.200 0.006 0.000 2.051 478 E HA -0.256 4.092 4.350 -0.003 0.000 0.192 478 E C 2.025 178.612 176.600 -0.022 0.000 0.991 478 E CA 1.608 58.012 56.400 0.007 0.000 0.799 478 E CB -0.281 29.440 29.700 0.035 0.000 0.748 478 E HN 0.610 nan 8.360 nan 0.000 0.449 479 Q N -0.281 119.500 119.800 -0.032 0.000 2.079 479 Q HA -0.096 4.242 4.340 -0.003 0.000 0.200 479 Q C -0.546 175.427 176.000 -0.045 0.000 0.974 479 Q CA 1.379 57.150 55.803 -0.052 0.000 0.840 479 Q CB -0.822 27.885 28.738 -0.052 0.000 0.898 479 Q HN 0.242 nan 8.270 nan 0.000 0.430 480 P HA -0.147 nan 4.420 nan 0.000 0.219 480 P C 1.237 178.518 177.300 -0.032 0.000 1.150 480 P CA 0.806 63.886 63.100 -0.033 0.000 0.814 480 P CB 0.025 31.709 31.700 -0.027 0.000 0.787 481 L N -0.476 120.731 121.223 -0.028 0.000 2.083 481 L HA -0.110 4.228 4.340 -0.003 0.000 0.209 481 L C 2.379 179.232 176.870 -0.028 0.000 1.083 481 L CA 1.899 56.722 54.840 -0.028 0.000 0.752 481 L CB -1.564 40.481 42.059 -0.023 0.000 0.899 481 L HN -0.096 nan 8.230 nan 0.000 0.433 482 S N -1.225 114.455 115.700 -0.033 0.000 2.374 482 S HA -0.225 4.243 4.470 -0.003 0.000 0.227 482 S C 2.082 176.666 174.600 -0.026 0.000 1.037 482 S CA 1.834 60.013 58.200 -0.034 0.000 1.024 482 S CB -0.407 62.754 63.200 -0.066 0.000 0.861 482 S HN 0.686 nan 8.310 nan 0.000 0.456 483 S N 0.984 116.662 115.700 -0.037 0.000 2.402 483 S HA 0.089 4.557 4.470 -0.003 0.000 0.229 483 S C 1.730 176.322 174.600 -0.013 0.000 1.021 483 S CA 1.218 59.396 58.200 -0.037 0.000 0.974 483 S CB -0.355 62.816 63.200 -0.049 0.000 0.800 483 S HN 0.544 nan 8.310 nan 0.000 0.484 484 I N 1.282 121.845 120.570 -0.010 0.000 2.286 484 I HA -0.130 4.038 4.170 -0.003 0.000 0.245 484 I C 1.976 178.110 176.117 0.029 0.000 1.104 484 I CA 1.003 62.303 61.300 0.000 0.000 1.397 484 I CB -0.344 37.645 38.000 -0.017 0.000 1.072 484 I HN 0.225 nan 8.210 nan 0.000 0.417 485 L N 0.582 121.823 121.223 0.030 0.000 2.083 485 L HA -0.189 4.149 4.340 -0.003 0.000 0.209 485 L C 2.857 179.849 176.870 0.205 0.000 1.083 485 L CA 1.197 56.097 54.840 0.100 0.000 0.752 485 L CB -0.720 41.397 42.059 0.097 0.000 0.899 485 L HN 0.240 nan 8.230 nan 0.000 0.433 486 A N 0.158 123.058 122.820 0.133 0.000 1.902 486 A HA -0.218 4.100 4.320 -0.003 0.000 0.217 486 A C 2.167 179.860 177.584 0.182 0.000 1.181 486 A CA 1.676 53.799 52.037 0.144 0.000 0.623 486 A CB -0.394 18.620 19.000 0.024 0.000 0.818 486 A HN 0.473 nan 8.150 nan 0.000 0.443 487 E N -0.666 119.605 120.200 0.118 0.000 2.072 487 E HA -0.174 4.174 4.350 -0.003 0.000 0.191 487 E C 2.076 178.772 176.600 0.160 0.000 0.985 487 E CA 1.405 57.878 56.400 0.122 0.000 0.801 487 E CB -0.299 29.430 29.700 0.048 0.000 0.750 487 E HN 0.669 nan 8.360 nan 0.000 0.452 488 M N 0.723 120.427 119.600 0.173 0.000 2.086 488 M HA -0.185 4.293 4.480 -0.003 0.000 0.261 488 M C 2.073 178.541 176.300 0.281 0.000 1.067 488 M CA 1.614 57.038 55.300 0.207 0.000 1.116 488 M CB -0.163 32.582 32.600 0.242 0.000 1.348 488 M HN 0.043 nan 8.290 nan 0.000 0.407 489 E N -0.277 120.161 120.200 0.396 0.000 2.072 489 E HA -0.197 4.151 4.350 -0.003 0.000 0.191 489 E C 1.822 178.744 176.600 0.538 0.000 0.985 489 E CA 1.216 57.898 56.400 0.470 0.000 0.801 489 E CB -0.289 29.784 29.700 0.621 0.000 0.750 489 E HN 0.384 nan 8.360 nan 0.000 0.452 490 F N 1.659 121.796 119.950 0.312 0.000 2.134 490 F HA -0.127 4.398 4.527 -0.003 0.000 0.299 490 F C 2.193 178.022 175.800 0.048 0.000 1.097 490 F CA 1.251 59.311 58.000 0.101 0.000 1.264 490 F CB -0.382 38.561 39.000 -0.094 0.000 1.001 490 F HN -0.057 nan 8.300 nan 0.000 0.479 491 A N 0.215 123.004 122.820 -0.051 0.000 1.877 491 A HA 0.280 4.599 4.320 -0.003 0.000 0.216 491 A C 1.713 179.196 177.584 -0.169 0.000 1.186 491 A CA 1.341 53.255 52.037 -0.205 0.000 0.620 491 A CB -1.540 17.337 19.000 -0.204 0.000 0.822 491 A HN 0.998 nan 8.150 nan 0.000 0.443 492 G N -2.531 106.202 108.800 -0.112 0.000 2.855 492 G HA2 0.014 3.973 3.960 -0.003 0.000 0.352 492 G HA3 0.014 3.973 3.960 -0.003 0.000 0.352 492 G C -0.471 174.302 174.900 -0.212 0.000 1.415 492 G CA -0.321 44.558 45.100 -0.368 0.000 0.871 492 G HN 1.187 nan 8.290 nan 0.000 0.543 493 V N 0.514 120.307 119.914 -0.202 0.000 2.540 493 V HA 0.597 4.715 4.120 -0.003 0.000 0.302 493 V C 0.432 176.484 176.094 -0.069 0.000 1.035 493 V CA -0.671 61.600 62.300 -0.048 0.000 0.873 493 V CB 1.714 33.592 31.823 0.092 0.000 0.992 493 V HN 1.025 nan 8.190 nan 0.000 0.428 494 K N 3.608 123.980 120.400 -0.045 0.000 2.350 494 K HA 0.454 4.772 4.320 -0.003 0.000 0.279 494 K C -0.923 175.625 176.600 -0.086 0.000 1.027 494 K CA 0.164 56.408 56.287 -0.070 0.000 0.969 494 K CB 0.962 33.430 32.500 -0.053 0.000 0.954 494 K HN 0.457 nan 8.250 nan 0.000 0.474 495 V N 3.850 123.677 119.914 -0.146 0.000 2.604 495 V HA 0.186 4.304 4.120 -0.003 0.000 0.305 495 V C -0.666 175.335 176.094 -0.154 0.000 1.043 495 V CA -0.930 61.226 62.300 -0.241 0.000 0.888 495 V CB 1.734 33.367 31.823 -0.316 0.000 0.995 495 V HN 0.822 nan 8.190 nan 0.000 0.429 496 D N 3.083 123.396 120.400 -0.144 0.000 2.483 496 D HA 0.093 4.731 4.640 -0.003 0.000 0.220 496 D C 1.511 177.753 176.300 -0.095 0.000 1.173 496 D CA 0.276 54.224 54.000 -0.087 0.000 0.964 496 D CB 1.196 41.964 40.800 -0.053 0.000 1.046 496 D HN 0.768 nan 8.370 nan 0.000 0.517 497 T N 0.998 115.500 114.554 -0.086 0.000 2.788 497 T HA -0.179 4.169 4.350 -0.003 0.000 0.268 497 T C 1.722 176.390 174.700 -0.054 0.000 1.044 497 T CA 0.666 62.721 62.100 -0.074 0.000 1.139 497 T CB 0.077 68.909 68.868 -0.060 0.000 0.867 497 T HN 0.140 nan 8.240 nan 0.000 0.454 498 K N 1.209 121.582 120.400 -0.044 0.000 2.032 498 K HA -0.053 4.265 4.320 -0.003 0.000 0.209 498 K C 2.529 179.108 176.600 -0.036 0.000 1.048 498 K CA 1.617 57.883 56.287 -0.034 0.000 0.927 498 K CB -0.472 32.011 32.500 -0.028 0.000 0.712 498 K HN 0.417 nan 8.250 nan 0.000 0.441 499 R N 1.012 121.487 120.500 -0.041 0.000 2.073 499 R HA -0.037 4.301 4.340 -0.003 0.000 0.234 499 R C 2.471 178.745 176.300 -0.043 0.000 1.134 499 R CA 1.016 57.091 56.100 -0.042 0.000 0.952 499 R CB -0.343 29.931 30.300 -0.044 0.000 0.850 499 R HN 0.093 nan 8.270 nan 0.000 0.433 500 L N 0.201 121.393 121.223 -0.051 0.000 2.046 500 L HA -0.181 4.157 4.340 -0.003 0.000 0.208 500 L C 2.275 179.127 176.870 -0.030 0.000 1.077 500 L CA 1.717 56.532 54.840 -0.042 0.000 0.747 500 L CB -0.406 41.619 42.059 -0.057 0.000 0.896 500 L HN 0.350 nan 8.230 nan 0.000 0.432 501 E N -0.650 119.531 120.200 -0.032 0.000 2.153 501 E HA -0.284 4.064 4.350 -0.003 0.000 0.194 501 E C 2.090 178.677 176.600 -0.022 0.000 0.988 501 E CA 1.003 57.389 56.400 -0.025 0.000 0.811 501 E CB 0.036 29.721 29.700 -0.025 0.000 0.746 501 E HN 0.300 nan 8.360 nan 0.000 0.466 502 Q N 0.438 120.223 119.800 -0.025 0.000 2.123 502 Q HA -0.053 4.285 4.340 -0.003 0.000 0.199 502 Q C 1.884 177.870 176.000 -0.024 0.000 0.966 502 Q CA 1.407 57.196 55.803 -0.023 0.000 0.845 502 Q CB 0.016 28.739 28.738 -0.025 0.000 0.907 502 Q HN 0.260 nan 8.270 nan 0.000 0.439 503 M N -1.032 118.552 119.600 -0.026 0.000 2.117 503 M HA -0.054 4.424 4.480 -0.003 0.000 0.262 503 M C 2.029 178.316 176.300 -0.021 0.000 1.065 503 M CA 1.575 56.860 55.300 -0.025 0.000 1.114 503 M CB -0.578 32.007 32.600 -0.025 0.000 1.361 503 M HN 0.405 nan 8.290 nan 0.000 0.408 504 G N 0.440 109.229 108.800 -0.018 0.000 2.442 504 G HA2 -0.262 3.696 3.960 -0.003 0.000 0.219 504 G HA3 -0.262 3.696 3.960 -0.003 0.000 0.219 504 G C 1.530 176.419 174.900 -0.019 0.000 1.141 504 G CA 1.253 46.343 45.100 -0.017 0.000 0.763 504 G HN 0.267 nan 8.290 nan 0.000 0.554 505 K N 0.960 121.349 120.400 -0.017 0.000 2.026 505 K HA -0.042 4.276 4.320 -0.003 0.000 0.208 505 K C 2.370 178.961 176.600 -0.015 0.000 1.048 505 K CA 1.722 58.000 56.287 -0.015 0.000 0.929 505 K CB -0.450 32.042 32.500 -0.013 0.000 0.713 505 K HN 0.433 nan 8.250 nan 0.000 0.439 506 E N 0.105 120.295 120.200 -0.017 0.000 2.110 506 E HA -0.169 4.179 4.350 -0.003 0.000 0.193 506 E C 2.064 178.652 176.600 -0.019 0.000 0.988 506 E CA 1.289 57.680 56.400 -0.015 0.000 0.804 506 E CB -0.151 29.539 29.700 -0.016 0.000 0.745 506 E HN 0.251 nan 8.360 nan 0.000 0.458 507 L N 0.543 121.749 121.223 -0.028 0.000 2.017 507 L HA -0.184 4.154 4.340 -0.003 0.000 0.208 507 L C 2.626 179.469 176.870 -0.045 0.000 1.073 507 L CA 0.973 55.786 54.840 -0.044 0.000 0.745 507 L CB -0.504 41.525 42.059 -0.050 0.000 0.894 507 L HN 0.157 nan 8.230 nan 0.000 0.432 508 A N -0.209 122.592 122.820 -0.032 0.000 1.940 508 A HA -0.296 4.023 4.320 -0.003 0.000 0.219 508 A C 2.229 179.806 177.584 -0.011 0.000 1.176 508 A CA 2.128 54.152 52.037 -0.022 0.000 0.631 508 A CB -0.541 18.451 19.000 -0.013 0.000 0.814 508 A HN 0.505 nan 8.150 nan 0.000 0.446 509 E N -0.435 119.759 120.200 -0.009 0.000 2.047 509 E HA -0.235 4.113 4.350 -0.003 0.000 0.191 509 E C 2.214 178.815 176.600 0.003 0.000 0.987 509 E CA 1.375 57.775 56.400 -0.000 0.000 0.799 509 E CB -0.172 29.528 29.700 0.000 0.000 0.752 509 E HN 0.768 nan 8.360 nan 0.000 0.449 510 Q N -0.073 119.724 119.800 -0.004 0.000 2.119 510 Q HA -0.159 4.179 4.340 -0.003 0.000 0.201 510 Q C 2.277 178.271 176.000 -0.010 0.000 0.972 510 Q CA 0.849 56.654 55.803 0.003 0.000 0.847 510 Q CB -0.059 28.677 28.738 -0.005 0.000 0.903 510 Q HN 0.253 nan 8.270 nan 0.000 0.433 511 L N 0.469 121.673 121.223 -0.032 0.000 2.046 511 L HA -0.065 4.273 4.340 -0.003 0.000 0.208 511 L C 2.164 179.068 176.870 0.056 0.000 1.077 511 L CA 2.055 56.889 54.840 -0.011 0.000 0.747 511 L CB -0.990 41.034 42.059 -0.059 0.000 0.896 511 L HN 0.207 nan 8.230 nan 0.000 0.432 512 G N -2.389 106.428 108.800 0.028 0.000 2.402 512 G HA2 -0.224 3.734 3.960 -0.003 0.000 0.216 512 G HA3 -0.224 3.734 3.960 -0.003 0.000 0.216 512 G C 1.471 176.376 174.900 0.007 0.000 1.162 512 G CA 1.130 46.245 45.100 0.025 0.000 0.777 512 G HN 0.394 nan 8.290 nan 0.000 0.539 513 T N 0.985 115.547 114.554 0.013 0.000 2.643 513 T HA -0.130 4.218 4.350 -0.003 0.000 0.264 513 T C 2.593 177.293 174.700 0.000 0.000 1.045 513 T CA 1.472 63.579 62.100 0.013 0.000 1.155 513 T CB -0.397 68.487 68.868 0.028 0.000 0.863 513 T HN 0.049 nan 8.240 nan 0.000 0.420 514 V N 1.617 121.546 119.914 0.025 0.000 2.332 514 V HA -0.209 3.909 4.120 -0.003 0.000 0.248 514 V C 2.509 178.538 176.094 -0.109 0.000 1.055 514 V CA 2.116 64.433 62.300 0.029 0.000 1.038 514 V CB -0.715 31.176 31.823 0.114 0.000 0.651 514 V HN 0.586 nan 8.190 nan 0.000 0.450 515 E N -0.188 119.919 120.200 -0.155 0.000 2.038 515 E HA -0.297 4.051 4.350 -0.003 0.000 0.195 515 E C 2.315 178.519 176.600 -0.661 0.000 1.000 515 E CA 1.588 57.692 56.400 -0.493 0.000 0.803 515 E CB -0.113 29.403 29.700 -0.307 0.000 0.750 515 E HN 0.532 nan 8.360 nan 0.000 0.448 516 Q N 0.288 119.920 119.800 -0.279 0.000 2.084 516 Q HA -0.185 4.153 4.340 -0.003 0.000 0.202 516 Q C 2.243 178.182 176.000 -0.102 0.000 0.978 516 Q CA 1.452 57.187 55.803 -0.113 0.000 0.844 516 Q CB -0.476 28.267 28.738 0.008 0.000 0.898 516 Q HN 0.134 nan 8.270 nan 0.000 0.426 517 R N 1.031 121.471 120.500 -0.099 0.000 2.091 517 R HA -0.047 4.291 4.340 -0.003 0.000 0.238 517 R C 2.129 178.393 176.300 -0.059 0.000 1.136 517 R CA 1.187 57.261 56.100 -0.043 0.000 0.959 517 R CB -0.712 29.578 30.300 -0.018 0.000 0.856 517 R HN 0.299 nan 8.270 nan 0.000 0.437 518 I N -0.292 120.165 120.570 -0.189 0.000 2.226 518 I HA -0.301 3.867 4.170 -0.003 0.000 0.245 518 I C 1.630 177.740 176.117 -0.012 0.000 1.100 518 I CA 1.281 62.476 61.300 -0.174 0.000 1.374 518 I CB -0.378 37.375 38.000 -0.412 0.000 1.057 518 I HN 0.153 nan 8.210 nan 0.000 0.413 519 Y N 0.806 121.113 120.300 0.012 0.000 2.242 519 Y HA -0.234 4.314 4.550 -0.003 0.000 0.291 519 Y C 2.545 178.486 175.900 0.069 0.000 1.137 519 Y CA 1.226 59.369 58.100 0.071 0.000 1.181 519 Y CB -1.007 37.462 38.460 0.015 0.000 0.989 519 Y HN 0.210 nan 8.280 nan 0.000 0.527 520 E N 0.829 121.138 120.200 0.182 0.000 2.038 520 E HA -0.175 4.173 4.350 -0.003 0.000 0.195 520 E C 1.908 178.577 176.600 0.114 0.000 1.000 520 E CA 1.576 58.049 56.400 0.121 0.000 0.803 520 E CB -0.694 29.052 29.700 0.077 0.000 0.750 520 E HN 0.481 nan 8.360 nan 0.000 0.448 521 L N -0.321 120.973 121.223 0.118 0.000 2.275 521 L HA -0.014 4.324 4.340 -0.003 0.000 0.215 521 L C 2.294 179.249 176.870 0.141 0.000 1.119 521 L CA 0.945 55.879 54.840 0.157 0.000 0.790 521 L CB -0.332 41.840 42.059 0.189 0.000 0.919 521 L HN 0.244 nan 8.230 nan 0.000 0.443 522 A N -0.854 122.040 122.820 0.123 0.000 2.147 522 A HA 0.310 4.628 4.320 -0.003 0.000 0.211 522 A C 1.813 179.424 177.584 0.045 0.000 1.160 522 A CA 0.738 52.808 52.037 0.054 0.000 0.781 522 A CB -0.118 18.965 19.000 0.138 0.000 0.842 522 A HN 0.451 nan 8.150 nan 0.000 0.475 523 G N -0.909 107.944 108.800 0.090 0.000 2.143 523 G HA2 -0.235 3.723 3.960 -0.003 0.000 0.249 523 G HA3 -0.235 3.723 3.960 -0.003 0.000 0.249 523 G C -0.034 174.898 174.900 0.053 0.000 0.981 523 G CA 0.865 46.001 45.100 0.059 0.000 0.665 523 G HN 1.560 nan 8.290 nan 0.000 0.528 524 Q N -1.756 118.103 119.800 0.098 0.000 2.829 524 Q HA 0.584 4.922 4.340 -0.003 0.000 0.296 524 Q C -1.426 174.642 176.000 0.114 0.000 0.893 524 Q CA -1.089 54.751 55.803 0.061 0.000 0.772 524 Q CB 0.646 29.393 28.738 0.015 0.000 1.489 524 Q HN 0.286 nan 8.270 nan 0.000 0.420 525 E N 0.712 120.839 120.200 -0.122 0.000 2.214 525 E HA 0.719 5.067 4.350 -0.003 0.000 0.274 525 E C -0.885 175.681 176.600 -0.057 0.000 0.977 525 E CA -0.567 55.474 56.400 -0.599 0.000 0.827 525 E CB 1.369 30.500 29.700 -0.948 0.000 1.130 525 E HN 0.472 nan 8.360 nan 0.000 0.394 526 F N -1.527 118.259 119.950 -0.273 0.000 2.817 526 F HA 0.268 4.793 4.527 -0.003 0.000 0.317 526 F C -1.168 174.670 175.800 0.063 0.000 1.168 526 F CA -1.383 56.585 58.000 -0.052 0.000 0.911 526 F CB 0.898 39.898 39.000 0.000 0.000 1.337 526 F HN 0.303 nan 8.300 nan 0.000 0.464 527 N N 1.619 120.364 118.700 0.074 0.000 2.508 527 N HA 0.278 5.016 4.740 -0.003 0.000 0.253 527 N C 0.763 176.240 175.510 -0.055 0.000 1.145 527 N CA -0.260 52.781 53.050 -0.016 0.000 0.973 527 N CB 0.315 38.841 38.487 0.066 0.000 1.305 527 N HN 0.696 nan 8.380 nan 0.000 0.506 528 I N 2.106 122.459 120.570 -0.361 0.000 2.502 528 I HA -0.279 3.889 4.170 -0.003 0.000 0.258 528 I C 1.390 177.526 176.117 0.031 0.000 1.172 528 I CA 0.766 61.879 61.300 -0.311 0.000 1.430 528 I CB -0.218 37.365 38.000 -0.696 0.000 1.086 528 I HN 0.589 nan 8.210 nan 0.000 0.440 529 N N 0.699 119.448 118.700 0.082 0.000 2.398 529 N HA -0.004 4.734 4.740 -0.003 0.000 0.188 529 N C 0.365 175.945 175.510 0.116 0.000 1.122 529 N CA 0.370 53.499 53.050 0.133 0.000 0.866 529 N CB 0.207 38.770 38.487 0.127 0.000 0.970 529 N HN 0.312 nan 8.380 nan 0.000 0.462 530 S N 0.241 116.019 115.700 0.129 0.000 2.461 530 S HA 0.404 4.872 4.470 -0.003 0.000 0.322 530 S C -2.062 172.631 174.600 0.156 0.000 1.063 530 S CA -1.327 56.950 58.200 0.128 0.000 1.120 530 S CB 2.240 65.514 63.200 0.123 0.000 0.968 530 S HN -0.194 nan 8.310 nan 0.000 0.467 531 P HA -0.196 nan 4.420 nan 0.000 0.218 531 P C 1.412 178.825 177.300 0.189 0.000 1.146 531 P CA 1.073 64.273 63.100 0.167 0.000 0.820 531 P CB 0.165 31.948 31.700 0.139 0.000 0.778 532 K N 0.394 120.885 120.400 0.152 0.000 1.973 532 K HA -0.154 4.164 4.320 -0.003 0.000 0.210 532 K C 2.105 178.802 176.600 0.162 0.000 1.045 532 K CA 1.798 58.171 56.287 0.144 0.000 0.937 532 K CB -1.054 31.504 32.500 0.097 0.000 0.721 532 K HN 0.080 nan 8.250 nan 0.000 0.438 533 Q N 0.185 120.077 119.800 0.153 0.000 2.084 533 Q HA -0.107 4.231 4.340 -0.003 0.000 0.202 533 Q C 2.214 178.274 176.000 0.101 0.000 0.978 533 Q CA 1.465 57.353 55.803 0.142 0.000 0.844 533 Q CB -0.229 28.646 28.738 0.228 0.000 0.898 533 Q HN 0.338 nan 8.270 nan 0.000 0.426 534 L N 0.283 121.630 121.223 0.207 0.000 2.042 534 L HA -0.160 4.178 4.340 -0.003 0.000 0.210 534 L C 2.197 179.070 176.870 0.004 0.000 1.076 534 L CA 1.541 56.484 54.840 0.172 0.000 0.749 534 L CB -0.705 41.495 42.059 0.235 0.000 0.893 534 L HN 0.346 nan 8.230 nan 0.000 0.432 535 G N -1.054 107.844 108.800 0.163 0.000 2.422 535 G HA2 -0.219 3.739 3.960 -0.003 0.000 0.218 535 G HA3 -0.219 3.739 3.960 -0.003 0.000 0.218 535 G C 1.538 176.478 174.900 0.067 0.000 1.146 535 G CA 0.894 46.174 45.100 0.299 0.000 0.769 535 G HN 0.305 nan 8.290 nan 0.000 0.547 536 V N 1.433 121.394 119.914 0.078 0.000 2.343 536 V HA -0.144 3.974 4.120 -0.003 0.000 0.247 536 V C 2.796 178.773 176.094 -0.195 0.000 1.051 536 V CA 1.138 63.434 62.300 -0.007 0.000 1.036 536 V CB -0.304 31.518 31.823 -0.001 0.000 0.654 536 V HN 0.275 nan 8.190 nan 0.000 0.451 537 I N -0.371 119.997 120.570 -0.336 0.000 2.142 537 I HA -0.203 3.965 4.170 -0.003 0.000 0.240 537 I C 2.358 178.209 176.117 -0.444 0.000 1.078 537 I CA 1.840 62.858 61.300 -0.469 0.000 1.343 537 I CB -1.061 36.452 38.000 -0.811 0.000 1.046 537 I HN 0.265 nan 8.210 nan 0.000 0.405 538 L N -0.537 120.360 121.223 -0.545 0.000 2.005 538 L HA -0.180 4.158 4.340 -0.003 0.000 0.207 538 L C 2.438 178.828 176.870 -0.800 0.000 1.072 538 L CA 1.510 55.890 54.840 -0.766 0.000 0.744 538 L CB -0.667 40.699 42.059 -1.155 0.000 0.895 538 L HN 0.095 nan 8.230 nan 0.000 0.433 539 F N -0.733 118.982 119.950 -0.391 0.000 2.698 539 F HA 0.057 4.582 4.527 -0.003 0.000 0.295 539 F C 2.205 177.788 175.800 -0.362 0.000 1.124 539 F CA 0.269 57.979 58.000 -0.484 0.000 1.426 539 F CB -0.160 38.259 39.000 -0.969 0.000 1.120 539 F HN 0.050 nan 8.300 nan 0.000 0.583 540 E N 0.022 120.121 120.200 -0.170 0.000 2.290 540 E HA -0.004 4.344 4.350 -0.003 0.000 0.195 540 E C 1.895 178.434 176.600 -0.103 0.000 0.938 540 E CA 0.028 56.376 56.400 -0.087 0.000 1.018 540 E CB 0.049 29.732 29.700 -0.029 0.000 1.042 540 E HN 0.106 nan 8.360 nan 0.000 0.483 541 K N 1.112 121.426 120.400 -0.145 0.000 2.057 541 K HA -0.042 4.276 4.320 -0.003 0.000 0.206 541 K C 1.848 178.365 176.600 -0.138 0.000 1.050 541 K CA 1.003 57.208 56.287 -0.137 0.000 0.935 541 K CB 0.102 32.497 32.500 -0.174 0.000 0.715 541 K HN 0.048 nan 8.250 nan 0.000 0.439 542 L N 0.557 121.661 121.223 -0.199 0.000 2.567 542 L HA 0.069 4.407 4.340 -0.003 0.000 0.225 542 L C 0.214 177.006 176.870 -0.130 0.000 1.119 542 L CA -0.020 54.709 54.840 -0.184 0.000 0.871 542 L CB 0.246 42.104 42.059 -0.335 0.000 1.036 542 L HN 0.269 nan 8.230 nan 0.000 0.459 543 Q N 0.059 119.781 119.800 -0.130 0.000 2.481 543 Q HA -0.192 4.147 4.340 -0.003 0.000 0.258 543 Q C -0.000 175.935 176.000 -0.107 0.000 0.961 543 Q CA 0.846 56.594 55.803 -0.091 0.000 1.121 543 Q CB -2.099 26.604 28.738 -0.059 0.000 1.503 543 Q HN 0.476 nan 8.270 nan 0.000 0.544 544 L N 2.095 123.230 121.223 -0.145 0.000 2.483 544 L HA 0.152 4.490 4.340 -0.003 0.000 0.276 544 L C -1.222 175.648 176.870 0.001 0.000 1.213 544 L CA -1.205 53.547 54.840 -0.146 0.000 0.843 544 L CB -0.249 41.688 42.059 -0.203 0.000 1.107 544 L HN -0.089 nan 8.230 nan 0.000 0.487 545 P HA 0.043 nan 4.420 nan 0.000 0.271 545 P C -0.688 176.640 177.300 0.045 0.000 1.218 545 P CA -0.256 62.807 63.100 -0.063 0.000 0.780 545 P CB 1.072 32.665 31.700 -0.177 0.000 0.901 546 V N 5.094 124.967 119.914 -0.069 0.000 2.339 546 V HA 0.072 4.190 4.120 -0.003 0.000 0.261 546 V C 1.634 177.668 176.094 -0.100 0.000 1.058 546 V CA 0.106 62.267 62.300 -0.231 0.000 0.897 546 V CB 0.050 31.723 31.823 -0.250 0.000 1.052 546 V HN 0.474 nan 8.190 nan 0.000 0.480 547 L N 3.159 124.352 121.223 -0.050 0.000 2.416 547 L HA 0.309 4.648 4.340 -0.003 0.000 0.216 547 L C 1.011 177.883 176.870 0.004 0.000 1.098 547 L CA 0.668 55.512 54.840 0.007 0.000 0.840 547 L CB 0.064 42.158 42.059 0.058 0.000 0.981 547 L HN 0.488 nan 8.230 nan 0.000 0.462 548 K N 0.828 121.210 120.400 -0.031 0.000 2.501 548 K HA 0.417 4.735 4.320 -0.003 0.000 0.252 548 K C -1.265 175.309 176.600 -0.044 0.000 0.934 548 K CA -0.615 55.669 56.287 -0.006 0.000 0.797 548 K CB 2.079 34.602 32.500 0.038 0.000 1.270 548 K HN -0.169 nan 8.250 nan 0.000 0.431 549 K N 1.152 121.539 120.400 -0.022 0.000 2.166 549 K HA 0.402 4.720 4.320 -0.003 0.000 0.245 549 K C -0.646 175.944 176.600 -0.016 0.000 0.967 549 K CA -0.838 55.426 56.287 -0.039 0.000 0.863 549 K CB 2.037 34.510 32.500 -0.045 0.000 1.107 549 K HN 0.475 nan 8.250 nan 0.000 0.436 550 T N 0.280 114.814 114.554 -0.034 0.000 2.916 550 T HA 0.200 4.548 4.350 -0.003 0.000 0.292 550 T C -0.945 173.734 174.700 -0.036 0.000 1.055 550 T CA -1.011 61.081 62.100 -0.014 0.000 1.009 550 T CB 0.793 69.666 68.868 0.008 0.000 1.118 550 T HN 0.595 nan 8.240 nan 0.000 0.497 551 K N 2.509 122.897 120.400 -0.020 0.000 2.686 551 K HA 0.320 4.638 4.320 -0.003 0.000 0.244 551 K C 0.170 176.750 176.600 -0.033 0.000 1.262 551 K CA -0.002 56.269 56.287 -0.027 0.000 1.199 551 K CB -0.485 32.007 32.500 -0.014 0.000 1.428 551 K HN 0.511 nan 8.250 nan 0.000 0.247 552 T N -1.964 112.556 114.554 -0.058 0.000 3.732 552 T HA 0.148 4.497 4.350 -0.003 0.000 0.210 552 T C 0.570 175.191 174.700 -0.131 0.000 0.738 552 T CA -0.028 62.033 62.100 -0.065 0.000 1.029 552 T CB 0.013 68.861 68.868 -0.033 0.000 0.902 552 T HN 0.500 nan 8.240 nan 0.000 0.336 553 G N -0.071 108.626 108.800 -0.170 0.000 3.481 553 G HA2 0.540 4.498 3.960 -0.003 0.000 0.180 553 G HA3 0.540 4.498 3.960 -0.003 0.000 0.180 553 G C -1.564 173.090 174.900 -0.410 0.000 1.345 553 G CA -0.419 44.444 45.100 -0.395 0.000 1.104 553 G HN 0.288 nan 8.290 nan 0.000 0.749 554 Y N 0.744 121.027 120.300 -0.028 0.000 2.387 554 Y HA 0.711 5.259 4.550 -0.003 0.000 0.330 554 Y C 0.713 176.602 175.900 -0.018 0.000 1.133 554 Y CA -0.876 57.145 58.100 -0.132 0.000 1.152 554 Y CB 1.940 40.283 38.460 -0.195 0.000 1.215 554 Y HN 0.296 nan 8.280 nan 0.000 0.466 555 S N 0.555 116.311 115.700 0.093 0.000 2.537 555 S HA 0.365 4.833 4.470 -0.003 0.000 0.275 555 S C 0.431 175.175 174.600 0.240 0.000 1.272 555 S CA -0.121 58.156 58.200 0.129 0.000 1.050 555 S CB 0.140 63.385 63.200 0.074 0.000 0.961 555 S HN 0.844 nan 8.310 nan 0.000 0.496 556 T N 0.483 115.176 114.554 0.232 0.000 3.393 556 T HA 0.295 4.643 4.350 -0.003 0.000 0.298 556 T C 0.342 175.142 174.700 0.166 0.000 1.004 556 T CA -0.195 62.054 62.100 0.247 0.000 0.956 556 T CB -0.642 68.372 68.868 0.243 0.000 1.182 556 T HN 0.624 nan 8.240 nan 0.000 0.497 557 S N 0.728 116.511 115.700 0.137 0.000 2.573 557 S HA 0.572 5.040 4.470 -0.003 0.000 0.277 557 S C 1.935 176.595 174.600 0.099 0.000 1.346 557 S CA -0.234 58.029 58.200 0.105 0.000 1.034 557 S CB 0.839 64.091 63.200 0.087 0.000 0.879 557 S HN 0.581 nan 8.310 nan 0.000 0.528 558 A N 2.238 125.106 122.820 0.081 0.000 1.903 558 A HA -0.255 4.063 4.320 -0.003 0.000 0.219 558 A C 2.003 179.626 177.584 0.066 0.000 1.191 558 A CA 2.038 54.118 52.037 0.072 0.000 0.638 558 A CB -1.343 17.690 19.000 0.056 0.000 0.823 558 A HN 1.034 nan 8.150 nan 0.000 0.451 559 D N -0.093 120.340 120.400 0.054 0.000 2.182 559 D HA -0.127 4.511 4.640 -0.003 0.000 0.201 559 D C 1.826 178.164 176.300 0.064 0.000 0.986 559 D CA 1.713 55.739 54.000 0.044 0.000 0.847 559 D CB -0.845 39.971 40.800 0.027 0.000 0.942 559 D HN 0.293 nan 8.370 nan 0.000 0.467 560 V N 1.081 121.047 119.914 0.087 0.000 2.323 560 V HA -0.166 3.952 4.120 -0.003 0.000 0.244 560 V C 2.873 179.048 176.094 0.134 0.000 1.041 560 V CA 0.928 63.298 62.300 0.116 0.000 1.025 560 V CB -0.499 31.411 31.823 0.145 0.000 0.656 560 V HN 0.180 nan 8.190 nan 0.000 0.451 561 L N -0.208 121.091 121.223 0.126 0.000 2.046 561 L HA -0.220 4.118 4.340 -0.003 0.000 0.208 561 L C 2.563 179.492 176.870 0.098 0.000 1.077 561 L CA 1.752 56.661 54.840 0.115 0.000 0.747 561 L CB -0.722 41.396 42.059 0.099 0.000 0.896 561 L HN 0.401 nan 8.230 nan 0.000 0.432 562 E N 0.282 120.529 120.200 0.079 0.000 2.160 562 E HA -0.242 4.106 4.350 -0.003 0.000 0.195 562 E C 2.079 178.717 176.600 0.063 0.000 0.991 562 E CA 1.193 57.628 56.400 0.059 0.000 0.810 562 E CB -0.006 29.719 29.700 0.041 0.000 0.742 562 E HN 0.450 nan 8.360 nan 0.000 0.466 563 K N 0.145 120.596 120.400 0.085 0.000 2.296 563 K HA 0.004 4.322 4.320 -0.003 0.000 0.200 563 K C 1.799 178.495 176.600 0.160 0.000 1.048 563 K CA 0.547 56.894 56.287 0.100 0.000 0.966 563 K CB 0.200 32.765 32.500 0.108 0.000 0.754 563 K HN 0.142 nan 8.250 nan 0.000 0.466 564 L N -0.081 121.256 121.223 0.190 0.000 2.529 564 L HA 0.121 4.459 4.340 -0.003 0.000 0.223 564 L C 2.330 179.339 176.870 0.232 0.000 1.113 564 L CA 0.011 55.030 54.840 0.299 0.000 0.861 564 L CB -0.339 41.853 42.059 0.223 0.000 1.012 564 L HN 0.078 nan 8.230 nan 0.000 0.461 565 A N 1.526 124.416 122.820 0.116 0.000 1.927 565 A HA -0.173 4.145 4.320 -0.003 0.000 0.220 565 A C -0.019 177.579 177.584 0.024 0.000 1.185 565 A CA 1.903 53.982 52.037 0.070 0.000 0.639 565 A CB -1.733 17.290 19.000 0.037 0.000 0.820 565 A HN 0.289 nan 8.150 nan 0.000 0.451 566 P HA -0.129 nan 4.420 nan 0.000 0.220 566 P C 0.717 177.899 177.300 -0.196 0.000 1.148 566 P CA 1.017 64.004 63.100 -0.189 0.000 0.803 566 P CB -0.157 31.343 31.700 -0.333 0.000 0.782 567 Y N -2.712 117.611 120.300 0.037 0.000 2.314 567 Y HA 0.011 4.559 4.550 -0.003 0.000 0.293 567 Y C 1.485 177.434 175.900 0.083 0.000 1.129 567 Y CA 1.073 59.203 58.100 0.050 0.000 1.201 567 Y CB -0.187 38.310 38.460 0.060 0.000 0.999 567 Y HN 0.054 nan 8.280 nan 0.000 0.541 568 H N -0.883 118.260 119.070 0.122 0.000 3.086 568 H HA 0.112 4.666 4.556 -0.003 0.000 0.353 568 H C 0.228 175.573 175.328 0.029 0.000 1.134 568 H CA -0.517 55.566 56.048 0.058 0.000 1.248 568 H CB 1.659 31.444 29.762 0.038 0.000 1.878 568 H HN 0.222 nan 8.280 nan 0.000 0.527 569 E N 4.040 124.252 120.200 0.019 0.000 2.333 569 E HA -0.098 4.250 4.350 -0.003 0.000 0.198 569 E C 1.598 178.319 176.600 0.202 0.000 1.007 569 E CA 0.842 57.289 56.400 0.077 0.000 0.845 569 E CB 0.206 29.886 29.700 -0.032 0.000 0.766 569 E HN 0.638 nan 8.360 nan 0.000 0.507 570 I N -0.026 120.811 120.570 0.445 0.000 2.361 570 I HA -0.238 3.930 4.170 -0.003 0.000 0.251 570 I C 1.837 178.012 176.117 0.097 0.000 1.133 570 I CA 0.630 62.042 61.300 0.188 0.000 1.413 570 I CB 0.109 38.106 38.000 -0.005 0.000 1.073 570 I HN 0.066 nan 8.210 nan 0.000 0.424 571 V N 2.322 122.298 119.914 0.103 0.000 2.233 571 V HA -0.336 3.782 4.120 -0.003 0.000 0.247 571 V C 2.467 178.609 176.094 0.079 0.000 1.050 571 V CA 2.485 64.828 62.300 0.071 0.000 1.010 571 V CB -1.176 30.696 31.823 0.081 0.000 0.637 571 V HN 0.632 nan 8.190 nan 0.000 0.444 572 E N 0.516 120.762 120.200 0.076 0.000 2.118 572 E HA -0.274 4.074 4.350 -0.003 0.000 0.195 572 E C 1.884 178.542 176.600 0.095 0.000 0.992 572 E CA 1.791 58.231 56.400 0.066 0.000 0.804 572 E CB -0.533 29.187 29.700 0.032 0.000 0.741 572 E HN 0.630 nan 8.360 nan 0.000 0.458 573 N N 0.821 119.577 118.700 0.094 0.000 2.188 573 N HA -0.071 4.667 4.740 -0.003 0.000 0.184 573 N C 2.021 177.614 175.510 0.138 0.000 1.018 573 N CA 1.180 54.302 53.050 0.119 0.000 0.858 573 N CB -0.081 38.447 38.487 0.068 0.000 0.989 573 N HN 0.306 nan 8.380 nan 0.000 0.426 574 I N 1.144 121.775 120.570 0.102 0.000 2.252 574 I HA -0.209 3.959 4.170 -0.003 0.000 0.245 574 I C 2.180 178.396 176.117 0.166 0.000 1.102 574 I CA 0.685 62.053 61.300 0.113 0.000 1.385 574 I CB -0.118 37.930 38.000 0.080 0.000 1.064 574 I HN 0.045 nan 8.210 nan 0.000 0.414 575 L N -0.192 121.115 121.223 0.140 0.000 2.017 575 L HA -0.279 4.060 4.340 -0.003 0.000 0.208 575 L C 2.753 179.719 176.870 0.160 0.000 1.073 575 L CA 1.517 56.436 54.840 0.131 0.000 0.745 575 L CB -0.799 41.324 42.059 0.107 0.000 0.894 575 L HN 0.302 nan 8.230 nan 0.000 0.432 576 H N -1.052 118.058 119.070 0.066 0.000 2.353 576 H HA -0.266 4.288 4.556 -0.003 0.000 0.300 576 H C 2.042 177.407 175.328 0.061 0.000 1.090 576 H CA 1.906 57.984 56.048 0.050 0.000 1.327 576 H CB -0.282 29.506 29.762 0.043 0.000 1.383 576 H HN 0.340 nan 8.280 nan 0.000 0.508 577 Y N 1.143 121.404 120.300 -0.064 0.000 2.165 577 Y HA -0.188 4.360 4.550 -0.003 0.000 0.286 577 Y C 2.513 178.350 175.900 -0.105 0.000 1.155 577 Y CA 1.893 59.910 58.100 -0.138 0.000 1.164 577 Y CB -0.173 38.225 38.460 -0.103 0.000 0.978 577 Y HN 0.083 nan 8.280 nan 0.000 0.513 578 R N -0.079 120.407 120.500 -0.023 0.000 2.081 578 R HA -0.211 4.127 4.340 -0.003 0.000 0.235 578 R C 2.433 178.664 176.300 -0.116 0.000 1.131 578 R CA 1.620 57.671 56.100 -0.081 0.000 0.960 578 R CB -0.442 29.890 30.300 0.053 0.000 0.856 578 R HN 0.524 nan 8.270 nan 0.000 0.436 579 Q N 1.066 120.823 119.800 -0.072 0.000 2.030 579 Q HA -0.187 4.151 4.340 -0.003 0.000 0.204 579 Q C 2.134 178.067 176.000 -0.113 0.000 0.986 579 Q CA 1.561 57.334 55.803 -0.051 0.000 0.843 579 Q CB -0.082 28.660 28.738 0.007 0.000 0.904 579 Q HN 0.331 nan 8.270 nan 0.000 0.420 580 L N -0.253 120.834 121.223 -0.227 0.000 2.046 580 L HA -0.110 4.228 4.340 -0.003 0.000 0.208 580 L C 2.526 179.257 176.870 -0.231 0.000 1.077 580 L CA 1.094 55.791 54.840 -0.238 0.000 0.747 580 L CB -0.835 41.020 42.059 -0.339 0.000 0.896 580 L HN 0.426 nan 8.230 nan 0.000 0.432 581 G N 0.082 108.665 108.800 -0.361 0.000 2.422 581 G HA2 -0.317 3.641 3.960 -0.003 0.000 0.218 581 G HA3 -0.317 3.641 3.960 -0.003 0.000 0.218 581 G C 1.657 176.456 174.900 -0.168 0.000 1.146 581 G CA 0.969 45.861 45.100 -0.346 0.000 0.769 581 G HN 0.204 nan 8.290 nan 0.000 0.547 582 K N 0.442 120.777 120.400 -0.107 0.000 2.026 582 K HA 0.094 4.412 4.320 -0.003 0.000 0.208 582 K C 2.447 179.087 176.600 0.066 0.000 1.048 582 K CA 0.901 57.177 56.287 -0.017 0.000 0.929 582 K CB -0.544 31.980 32.500 0.039 0.000 0.713 582 K HN 0.342 nan 8.250 nan 0.000 0.439 583 L N 0.283 121.561 121.223 0.091 0.000 2.017 583 L HA -0.191 4.147 4.340 -0.003 0.000 0.208 583 L C 2.709 179.642 176.870 0.106 0.000 1.073 583 L CA 1.547 56.495 54.840 0.180 0.000 0.745 583 L CB -0.596 41.501 42.059 0.065 0.000 0.894 583 L HN 0.328 nan 8.230 nan 0.000 0.432 584 Q N 0.181 119.981 119.800 0.001 0.000 1.967 584 Q HA -0.164 4.174 4.340 -0.003 0.000 0.202 584 Q C 2.307 178.292 176.000 -0.027 0.000 0.985 584 Q CA 2.533 58.322 55.803 -0.023 0.000 0.839 584 Q CB -0.232 28.464 28.738 -0.071 0.000 0.906 584 Q HN 0.316 nan 8.270 nan 0.000 0.423 585 S N -0.534 115.131 115.700 -0.058 0.000 2.343 585 S HA -0.128 4.340 4.470 -0.003 0.000 0.219 585 S C 2.031 176.571 174.600 -0.100 0.000 1.033 585 S CA 1.659 59.818 58.200 -0.069 0.000 1.014 585 S CB -0.752 62.402 63.200 -0.076 0.000 0.915 585 S HN 0.537 nan 8.310 nan 0.000 0.435 586 T N 0.718 115.170 114.554 -0.170 0.000 2.770 586 T HA 0.009 4.357 4.350 -0.003 0.000 0.263 586 T C 1.477 175.914 174.700 -0.438 0.000 1.039 586 T CA 1.267 63.152 62.100 -0.360 0.000 1.142 586 T CB -0.287 68.225 68.868 -0.593 0.000 0.868 586 T HN 0.391 nan 8.240 nan 0.000 0.435 587 Y N 0.252 120.561 120.300 0.014 0.000 2.239 587 Y HA 0.248 4.796 4.550 -0.003 0.000 0.293 587 Y C 2.346 178.264 175.900 0.030 0.000 1.126 587 Y CA -0.206 57.917 58.100 0.040 0.000 1.128 587 Y CB -0.407 38.080 38.460 0.046 0.000 1.066 587 Y HN 0.027 nan 8.280 nan 0.000 0.516 588 I N 0.798 121.459 120.570 0.153 0.000 2.090 588 I HA -0.237 3.932 4.170 -0.003 0.000 0.236 588 I C 2.037 178.172 176.117 0.029 0.000 1.064 588 I CA 1.738 63.081 61.300 0.072 0.000 1.324 588 I CB -1.332 36.691 38.000 0.037 0.000 1.044 588 I HN 0.344 nan 8.210 nan 0.000 0.399 589 E N 0.696 120.900 120.200 0.006 0.000 2.072 589 E HA -0.134 4.214 4.350 -0.003 0.000 0.191 589 E C 2.280 178.872 176.600 -0.013 0.000 0.985 589 E CA 1.159 57.553 56.400 -0.010 0.000 0.801 589 E CB -0.424 29.263 29.700 -0.021 0.000 0.750 589 E HN 0.588 nan 8.360 nan 0.000 0.452 590 G N 1.382 110.168 108.800 -0.024 0.000 2.418 590 G HA2 -0.235 3.723 3.960 -0.003 0.000 0.217 590 G HA3 -0.235 3.723 3.960 -0.003 0.000 0.217 590 G C 1.518 176.421 174.900 0.004 0.000 1.158 590 G CA 0.409 45.491 45.100 -0.031 0.000 0.771 590 G HN 0.057 nan 8.290 nan 0.000 0.545 591 L N 0.309 121.555 121.223 0.038 0.000 2.072 591 L HA 0.231 4.569 4.340 -0.003 0.000 0.205 591 L C 2.835 179.707 176.870 0.003 0.000 1.079 591 L CA 0.999 55.870 54.840 0.053 0.000 0.752 591 L CB -0.706 41.407 42.059 0.091 0.000 0.906 591 L HN 0.169 nan 8.230 nan 0.000 0.436 592 L N -0.954 120.265 121.223 -0.007 0.000 2.191 592 L HA -0.252 4.087 4.340 -0.003 0.000 0.212 592 L C 2.392 179.251 176.870 -0.018 0.000 1.103 592 L CA 1.119 55.946 54.840 -0.022 0.000 0.769 592 L CB -0.458 41.589 42.059 -0.021 0.000 0.908 592 L HN 0.261 nan 8.230 nan 0.000 0.438 593 K N -0.302 120.090 120.400 -0.013 0.000 2.148 593 K HA -0.104 4.214 4.320 -0.003 0.000 0.204 593 K C 1.735 178.328 176.600 -0.013 0.000 1.050 593 K CA 1.512 57.790 56.287 -0.014 0.000 0.942 593 K CB -0.013 32.478 32.500 -0.015 0.000 0.724 593 K HN 0.344 nan 8.250 nan 0.000 0.446 594 V N -2.108 117.802 119.914 -0.007 0.000 3.621 594 V HA 0.135 4.253 4.120 -0.003 0.000 0.285 594 V C 0.681 176.773 176.094 -0.002 0.000 1.346 594 V CA -0.450 61.848 62.300 -0.004 0.000 1.104 594 V CB 0.025 31.850 31.823 0.005 0.000 0.913 594 V HN -0.187 nan 8.190 nan 0.000 0.432 595 V N 2.954 122.860 119.914 -0.014 0.000 2.637 595 V HA 0.256 4.375 4.120 -0.003 0.000 0.296 595 V C 0.780 176.873 176.094 -0.002 0.000 1.046 595 V CA -0.288 61.999 62.300 -0.021 0.000 1.066 595 V CB 0.640 32.434 31.823 -0.048 0.000 0.968 595 V HN 0.517 nan 8.190 nan 0.000 0.483 596 R N 7.033 127.549 120.500 0.026 0.000 2.248 596 R HA 0.195 4.534 4.340 -0.003 0.000 0.328 596 R C -1.561 174.752 176.300 0.022 0.000 1.067 596 R CA -1.564 54.562 56.100 0.043 0.000 0.924 596 R CB 0.786 31.158 30.300 0.121 0.000 1.013 596 R HN 0.534 nan 8.270 nan 0.000 0.454 597 P HA -0.218 nan 4.420 nan 0.000 0.217 597 P C 0.448 177.752 177.300 0.006 0.000 1.148 597 P CA 1.398 64.498 63.100 -0.000 0.000 0.828 597 P CB 0.225 31.923 31.700 -0.004 0.000 0.783 598 D N -0.335 120.077 120.400 0.021 0.000 2.224 598 D HA -0.090 4.548 4.640 -0.003 0.000 0.205 598 D C 1.432 177.746 176.300 0.024 0.000 0.965 598 D CA 1.875 55.891 54.000 0.026 0.000 0.852 598 D CB -0.997 39.829 40.800 0.042 0.000 0.947 598 D HN 0.305 nan 8.370 nan 0.000 0.494 599 T N -3.778 110.796 114.554 0.033 0.000 2.986 599 T HA 0.212 4.560 4.350 -0.003 0.000 0.264 599 T C 0.699 175.391 174.700 -0.014 0.000 0.964 599 T CA -0.296 61.813 62.100 0.015 0.000 0.895 599 T CB 0.251 69.148 68.868 0.049 0.000 1.163 599 T HN 0.053 nan 8.240 nan 0.000 0.517 600 K N 0.957 121.350 120.400 -0.013 0.000 3.129 600 K HA -0.147 4.171 4.320 -0.003 0.000 0.273 600 K C -0.596 175.961 176.600 -0.072 0.000 1.123 600 K CA 0.634 56.896 56.287 -0.043 0.000 0.800 600 K CB -1.343 31.126 32.500 -0.051 0.000 1.238 600 K HN 0.515 nan 8.250 nan 0.000 0.492 601 K N 0.550 120.911 120.400 -0.065 0.000 2.267 601 K HA 0.536 4.854 4.320 -0.003 0.000 0.246 601 K C -0.078 176.413 176.600 -0.181 0.000 0.954 601 K CA -0.898 55.291 56.287 -0.163 0.000 0.824 601 K CB 2.264 34.609 32.500 -0.259 0.000 1.167 601 K HN 0.041 nan 8.250 nan 0.000 0.431 602 V N -0.864 118.906 119.914 -0.241 0.000 2.483 602 V HA 0.430 4.548 4.120 -0.003 0.000 0.295 602 V C -0.578 175.309 176.094 -0.345 0.000 1.035 602 V CA -0.638 61.567 62.300 -0.157 0.000 0.896 602 V CB 1.393 33.205 31.823 -0.019 0.000 0.986 602 V HN 0.717 nan 8.190 nan 0.000 0.447 603 H N 2.551 121.539 119.070 -0.136 0.000 2.725 603 H HA 0.379 4.933 4.556 -0.003 0.000 0.283 603 H C 0.258 175.457 175.328 -0.215 0.000 1.110 603 H CA -0.178 55.698 56.048 -0.286 0.000 1.289 603 H CB 1.679 31.024 29.762 -0.696 0.000 1.400 603 H HN 0.886 nan 8.280 nan 0.000 0.493 604 T N 2.651 117.169 114.554 -0.059 0.000 2.766 604 T HA 0.365 4.713 4.350 -0.003 0.000 0.295 604 T C 0.527 175.200 174.700 -0.046 0.000 1.024 604 T CA -0.310 61.715 62.100 -0.125 0.000 1.018 604 T CB 0.341 68.993 68.868 -0.359 0.000 1.002 604 T HN 0.422 nan 8.240 nan 0.000 0.532 605 I N 2.684 123.162 120.570 -0.154 0.000 2.418 605 I HA 0.324 4.492 4.170 -0.003 0.000 0.287 605 I C -1.025 175.002 176.117 -0.150 0.000 1.008 605 I CA -0.757 60.494 61.300 -0.081 0.000 1.104 605 I CB 1.486 39.382 38.000 -0.173 0.000 1.264 605 I HN 0.532 nan 8.210 nan 0.000 0.438 606 F N 4.964 124.992 119.950 0.130 0.000 2.390 606 F HA 0.236 4.761 4.527 -0.004 0.000 0.361 606 F C 0.886 176.727 175.800 0.069 0.000 1.124 606 F CA -0.485 57.571 58.000 0.093 0.000 1.149 606 F CB 0.299 39.352 39.000 0.089 0.000 1.160 606 F HN 0.405 nan 8.300 nan 0.000 0.501 607 N N 3.714 122.534 118.700 0.199 0.000 2.405 607 N HA -0.024 4.714 4.740 -0.003 0.000 0.260 607 N C 0.691 176.228 175.510 0.045 0.000 1.152 607 N CA 0.342 53.449 53.050 0.096 0.000 0.948 607 N CB 0.794 39.316 38.487 0.059 0.000 1.111 607 N HN 0.770 nan 8.380 nan 0.000 0.485 608 Q N 2.764 122.545 119.800 -0.032 0.000 2.392 608 Q HA 0.176 4.514 4.340 -0.003 0.000 0.203 608 Q C -0.235 175.476 176.000 -0.482 0.000 0.917 608 Q CA 0.202 55.927 55.803 -0.130 0.000 0.939 608 Q CB 0.354 29.046 28.738 -0.076 0.000 1.063 608 Q HN 0.642 nan 8.270 nan 0.000 0.516 609 A N 0.545 123.009 122.820 -0.593 0.000 3.105 609 A HA 0.308 4.626 4.320 -0.003 0.000 0.297 609 A C -0.002 177.159 177.584 -0.704 0.000 0.977 609 A CA -0.259 51.051 52.037 -1.213 0.000 1.020 609 A CB 0.308 18.953 19.000 -0.591 0.000 1.098 609 A HN 0.370 nan 8.150 nan 0.000 0.497 610 L N -0.295 120.669 121.223 -0.431 0.000 2.691 610 L HA 0.309 4.648 4.340 -0.003 0.000 0.185 610 L C 1.220 178.218 176.870 0.213 0.000 1.081 610 L CA 1.760 56.601 54.840 0.002 0.000 0.865 610 L CB 0.070 42.143 42.059 0.024 0.000 1.370 610 L HN 0.342 nan 8.230 nan 0.000 0.488 611 T N -1.144 113.539 114.554 0.215 0.000 2.932 611 T HA 0.026 4.374 4.350 -0.003 0.000 0.312 611 T C 0.807 175.680 174.700 0.288 0.000 1.071 611 T CA -0.240 62.001 62.100 0.234 0.000 1.128 611 T CB 0.583 69.562 68.868 0.184 0.000 0.984 611 T HN 0.348 nan 8.240 nan 0.000 0.549 612 Q N 1.828 121.740 119.800 0.187 0.000 2.488 612 Q HA 0.007 4.346 4.340 -0.003 0.000 0.211 612 Q C 2.084 178.133 176.000 0.081 0.000 0.967 612 Q CA 1.397 57.279 55.803 0.132 0.000 0.926 612 Q CB -0.345 28.468 28.738 0.125 0.000 0.992 612 Q HN 1.036 nan 8.270 nan 0.000 0.506 613 T N -5.018 109.594 114.554 0.096 0.000 3.054 613 T HA 0.417 4.765 4.350 -0.003 0.000 0.255 613 T C 1.272 176.014 174.700 0.069 0.000 1.035 613 T CA 0.495 62.630 62.100 0.059 0.000 0.941 613 T CB 0.785 69.681 68.868 0.047 0.000 1.026 613 T HN 0.297 nan 8.240 nan 0.000 0.533 614 G N 1.623 110.508 108.800 0.141 0.000 2.176 614 G HA2 -0.215 3.743 3.960 -0.003 0.000 0.232 614 G HA3 -0.215 3.743 3.960 -0.003 0.000 0.232 614 G C 0.242 175.260 174.900 0.196 0.000 0.986 614 G CA -0.327 44.881 45.100 0.179 0.000 0.643 614 G HN 0.621 nan 8.290 nan 0.000 0.522 615 R N -0.378 120.226 120.500 0.173 0.000 2.649 615 R HA 0.670 5.009 4.340 -0.003 0.000 0.270 615 R C 0.837 177.258 176.300 0.201 0.000 1.105 615 R CA -0.272 55.936 56.100 0.180 0.000 1.193 615 R CB 0.381 30.766 30.300 0.141 0.000 1.120 615 R HN 0.265 nan 8.270 nan 0.000 0.561 616 L N -0.064 121.294 121.223 0.226 0.000 2.400 616 L HA 0.420 4.758 4.340 -0.003 0.000 0.264 616 L C 0.332 177.378 176.870 0.292 0.000 1.061 616 L CA -0.525 54.440 54.840 0.208 0.000 0.799 616 L CB 1.519 43.676 42.059 0.163 0.000 1.240 616 L HN 0.719 nan 8.230 nan 0.000 0.461 617 S N -0.792 115.073 115.700 0.274 0.000 2.632 617 S HA 0.679 5.147 4.470 -0.003 0.000 0.289 617 S C -0.851 173.903 174.600 0.257 0.000 1.115 617 S CA -0.714 57.641 58.200 0.259 0.000 0.889 617 S CB 1.991 65.294 63.200 0.170 0.000 1.116 617 S HN 0.530 nan 8.310 nan 0.000 0.486 618 S N 0.762 116.564 115.700 0.169 0.000 2.521 618 S HA 0.844 5.312 4.470 -0.003 0.000 0.295 618 S C -0.766 173.829 174.600 -0.010 0.000 1.098 618 S CA -0.204 58.002 58.200 0.009 0.000 0.999 618 S CB 1.177 64.368 63.200 -0.016 0.000 1.034 618 S HN 1.390 nan 8.310 nan 0.000 0.483 619 T N 0.407 114.919 114.554 -0.069 0.000 2.883 619 T HA 0.582 4.930 4.350 -0.003 0.000 0.301 619 T C -0.382 174.290 174.700 -0.047 0.000 1.158 619 T CA -0.663 61.416 62.100 -0.034 0.000 1.007 619 T CB 1.267 70.124 68.868 -0.020 0.000 1.186 619 T HN 0.803 nan 8.240 nan 0.000 0.499 620 E N 1.691 121.878 120.200 -0.022 0.000 2.202 620 E HA -0.146 4.202 4.350 -0.003 0.000 0.169 620 E C -2.307 174.289 176.600 -0.008 0.000 1.536 620 E CA 0.017 56.408 56.400 -0.015 0.000 0.664 620 E CB -0.463 29.222 29.700 -0.025 0.000 1.064 620 E HN 0.562 nan 8.360 nan 0.000 0.327 621 P HA 0.151 nan 4.420 nan 0.000 0.285 621 P C -0.821 176.494 177.300 0.025 0.000 1.280 621 P CA -0.731 62.389 63.100 0.034 0.000 0.862 621 P CB 0.901 32.656 31.700 0.092 0.000 1.153 622 N N 1.426 120.157 118.700 0.053 0.000 2.401 622 N HA 0.089 4.827 4.740 -0.003 0.000 0.255 622 N C 0.376 175.960 175.510 0.124 0.000 1.110 622 N CA 0.044 53.135 53.050 0.067 0.000 0.949 622 N CB -0.478 38.061 38.487 0.088 0.000 1.110 622 N HN 0.328 nan 8.380 nan 0.000 0.490 623 L N 2.672 123.952 121.223 0.095 0.000 2.700 623 L HA 0.180 4.518 4.340 -0.003 0.000 0.234 623 L C 1.183 178.174 176.870 0.203 0.000 1.156 623 L CA 0.136 55.068 54.840 0.153 0.000 0.946 623 L CB 0.100 42.211 42.059 0.085 0.000 1.216 623 L HN 0.524 nan 8.230 nan 0.000 0.493 624 Q N 0.647 120.550 119.800 0.171 0.000 2.282 624 Q HA 0.076 4.414 4.340 -0.003 0.000 0.206 624 Q C 0.445 176.545 176.000 0.168 0.000 0.878 624 Q CA 0.057 55.950 55.803 0.150 0.000 0.944 624 Q CB 0.389 29.188 28.738 0.101 0.000 1.100 624 Q HN 0.446 nan 8.270 nan 0.000 0.509 625 N N -0.365 118.441 118.700 0.176 0.000 2.451 625 N HA 0.064 4.802 4.740 -0.003 0.000 0.271 625 N C -0.550 175.045 175.510 0.141 0.000 1.410 625 N CA -0.222 52.931 53.050 0.171 0.000 0.884 625 N CB 0.376 38.986 38.487 0.204 0.000 1.332 625 N HN -0.067 nan 8.380 nan 0.000 0.498 626 I N 2.615 123.191 120.570 0.009 0.000 2.556 626 I HA 0.198 4.366 4.170 -0.003 0.000 0.284 626 I C -1.611 174.279 176.117 -0.377 0.000 1.114 626 I CA -1.813 59.341 61.300 -0.243 0.000 1.418 626 I CB 0.076 37.839 38.000 -0.396 0.000 1.394 626 I HN 0.055 nan 8.210 nan 0.000 0.552 627 P HA 0.073 nan 4.420 nan 0.000 0.267 627 P C 0.390 177.508 177.300 -0.304 0.000 1.201 627 P CA 0.233 63.115 63.100 -0.363 0.000 0.775 627 P CB 1.791 33.246 31.700 -0.408 0.000 0.854 628 I N 0.031 120.475 120.570 -0.209 0.000 5.362 628 I HA 0.050 4.218 4.170 -0.003 0.000 0.359 628 I C 2.209 178.247 176.117 -0.131 0.000 1.172 628 I CA -0.168 61.012 61.300 -0.200 0.000 1.577 628 I CB 0.209 38.071 38.000 -0.231 0.000 1.845 628 I HN 0.157 nan 8.210 nan 0.000 0.632 629 R N 1.457 121.901 120.500 -0.093 0.000 2.070 629 R HA 0.023 4.361 4.340 -0.003 0.000 0.233 629 R C 0.319 176.586 176.300 -0.056 0.000 1.137 629 R CA 1.094 57.157 56.100 -0.062 0.000 0.945 629 R CB -0.070 30.206 30.300 -0.040 0.000 0.845 629 R HN 0.252 nan 8.270 nan 0.000 0.430 630 L N 1.457 122.650 121.223 -0.051 0.000 2.292 630 L HA 0.135 4.473 4.340 -0.003 0.000 0.284 630 L C 1.113 177.966 176.870 -0.028 0.000 1.065 630 L CA -0.544 54.276 54.840 -0.032 0.000 0.806 630 L CB 1.615 43.663 42.059 -0.019 0.000 1.175 630 L HN 0.158 nan 8.230 nan 0.000 0.431 631 E N 2.198 122.392 120.200 -0.009 0.000 2.070 631 E HA -0.253 4.095 4.350 -0.003 0.000 0.197 631 E C 1.573 178.189 176.600 0.026 0.000 1.004 631 E CA 1.960 58.373 56.400 0.022 0.000 0.805 631 E CB 0.184 29.900 29.700 0.027 0.000 0.744 631 E HN 0.668 nan 8.360 nan 0.000 0.451 632 E N -0.951 119.254 120.200 0.007 0.000 2.058 632 E HA -0.155 4.193 4.350 -0.003 0.000 0.194 632 E C 2.094 178.680 176.600 -0.024 0.000 0.997 632 E CA 1.082 57.480 56.400 -0.002 0.000 0.801 632 E CB -0.421 29.287 29.700 0.013 0.000 0.746 632 E HN 0.456 nan 8.360 nan 0.000 0.450 633 G N 0.946 109.720 108.800 -0.043 0.000 2.403 633 G HA2 -0.262 3.696 3.960 -0.003 0.000 0.216 633 G HA3 -0.262 3.696 3.960 -0.003 0.000 0.216 633 G C 1.515 176.345 174.900 -0.116 0.000 1.154 633 G CA 0.472 45.513 45.100 -0.098 0.000 0.784 633 G HN 0.080 nan 8.290 nan 0.000 0.538 634 R N 0.466 120.927 120.500 -0.065 0.000 2.117 634 R HA -0.094 4.244 4.340 -0.003 0.000 0.243 634 R C 2.272 178.636 176.300 0.106 0.000 1.143 634 R CA 1.278 57.365 56.100 -0.022 0.000 0.968 634 R CB -0.073 30.241 30.300 0.024 0.000 0.863 634 R HN 0.061 nan 8.270 nan 0.000 0.444 635 K N 0.592 121.024 120.400 0.053 0.000 2.286 635 K HA -0.156 4.162 4.320 -0.003 0.000 0.203 635 K C 1.893 178.455 176.600 -0.063 0.000 1.045 635 K CA 0.812 57.034 56.287 -0.108 0.000 0.935 635 K CB -0.241 32.174 32.500 -0.141 0.000 0.737 635 K HN 0.316 nan 8.250 nan 0.000 0.460 636 I N 0.979 121.535 120.570 -0.024 0.000 2.335 636 I HA -0.264 3.905 4.170 -0.003 0.000 0.251 636 I C 1.973 178.193 176.117 0.172 0.000 1.129 636 I CA 1.274 62.594 61.300 0.034 0.000 1.402 636 I CB -0.765 37.218 38.000 -0.029 0.000 1.069 636 I HN 0.197 nan 8.210 nan 0.000 0.424 637 R N 0.421 120.991 120.500 0.117 0.000 2.285 637 R HA -0.139 4.199 4.340 -0.003 0.000 0.213 637 R C 1.975 178.502 176.300 0.378 0.000 1.068 637 R CA 0.563 56.794 56.100 0.219 0.000 1.004 637 R CB -0.209 29.996 30.300 -0.159 0.000 0.873 637 R HN 0.567 nan 8.270 nan 0.000 0.467 638 Q N -0.095 119.819 119.800 0.191 0.000 2.369 638 Q HA -0.013 4.326 4.340 -0.003 0.000 0.206 638 Q C 1.830 177.909 176.000 0.133 0.000 0.963 638 Q CA 1.079 56.947 55.803 0.109 0.000 0.894 638 Q CB 0.153 28.814 28.738 -0.128 0.000 0.965 638 Q HN 0.333 nan 8.270 nan 0.000 0.475 639 A N 0.113 123.018 122.820 0.141 0.000 2.167 639 A HA 0.025 4.343 4.320 -0.003 0.000 0.214 639 A C 0.124 177.656 177.584 -0.088 0.000 1.151 639 A CA 0.233 52.263 52.037 -0.012 0.000 0.735 639 A CB 0.060 18.988 19.000 -0.120 0.000 0.802 639 A HN 0.159 nan 8.150 nan 0.000 0.467 640 F N 0.459 120.521 119.950 0.187 0.000 2.371 640 F HA 0.465 4.990 4.527 -0.003 0.000 0.363 640 F C 0.333 176.237 175.800 0.173 0.000 1.122 640 F CA -0.692 57.432 58.000 0.208 0.000 1.129 640 F CB 1.413 40.650 39.000 0.395 0.000 1.173 640 F HN 0.057 nan 8.300 nan 0.000 0.489 641 V N 1.660 121.695 119.914 0.202 0.000 3.126 641 V HA 0.761 4.880 4.120 -0.003 0.000 0.314 641 V C -2.853 173.311 176.094 0.117 0.000 1.138 641 V CA -3.273 59.120 62.300 0.154 0.000 1.034 641 V CB 1.913 33.790 31.823 0.089 0.000 1.075 641 V HN 0.335 nan 8.190 nan 0.000 0.442 642 P HA 0.191 nan 4.420 nan 0.000 0.269 642 P C 0.697 178.006 177.300 0.014 0.000 1.215 642 P CA 0.374 63.546 63.100 0.120 0.000 0.780 642 P CB 0.722 32.542 31.700 0.199 0.000 0.898 643 S N -0.249 115.413 115.700 -0.063 0.000 2.562 643 S HA 0.061 4.529 4.470 -0.003 0.000 0.221 643 S C 0.486 174.898 174.600 -0.313 0.000 0.975 643 S CA 0.365 58.463 58.200 -0.170 0.000 0.918 643 S CB -0.282 62.815 63.200 -0.171 0.000 0.772 643 S HN 0.342 nan 8.310 nan 0.000 0.531 644 E N 1.217 121.144 120.200 -0.455 0.000 2.369 644 E HA 0.485 4.833 4.350 -0.003 0.000 0.270 644 E C -1.033 175.421 176.600 -0.244 0.000 0.909 644 E CA -0.641 55.418 56.400 -0.569 0.000 0.775 644 E CB 1.960 30.833 29.700 -1.378 0.000 1.270 644 E HN 0.128 nan 8.360 nan 0.000 0.445 645 S N 1.521 117.146 115.700 -0.125 0.000 2.562 645 S HA 0.077 4.545 4.470 -0.003 0.000 0.281 645 S C 0.037 174.732 174.600 0.158 0.000 1.333 645 S CA -0.123 58.090 58.200 0.021 0.000 1.052 645 S CB 0.126 63.335 63.200 0.015 0.000 0.884 645 S HN 0.522 nan 8.310 nan 0.000 0.506 646 D N -0.382 120.125 120.400 0.179 0.000 3.041 646 D HA -0.134 4.504 4.640 -0.003 0.000 0.220 646 D C -0.973 175.526 176.300 0.332 0.000 1.157 646 D CA 0.996 55.126 54.000 0.215 0.000 0.876 646 D CB -1.007 39.897 40.800 0.174 0.000 1.107 646 D HN 0.510 nan 8.370 nan 0.000 0.422 647 W N 0.088 121.393 121.300 0.009 0.000 2.655 647 W HA 0.728 5.386 4.660 -0.003 0.000 0.358 647 W C 0.447 176.982 176.519 0.026 0.000 1.100 647 W CA -0.425 56.917 57.345 -0.005 0.000 1.195 647 W CB 0.846 30.292 29.460 -0.023 0.000 1.403 647 W HN -0.177 nan 8.180 nan 0.000 0.589 648 L N 3.019 124.365 121.223 0.206 0.000 2.376 648 L HA 0.500 4.838 4.340 -0.003 0.000 0.258 648 L C -0.616 176.373 176.870 0.199 0.000 1.013 648 L CA -1.350 53.609 54.840 0.199 0.000 0.822 648 L CB 1.745 43.919 42.059 0.193 0.000 1.388 648 L HN 0.011 nan 8.230 nan 0.000 0.413 649 I N 1.503 122.210 120.570 0.229 0.000 2.365 649 I HA 0.268 4.436 4.170 -0.003 0.000 0.291 649 I C -0.625 175.664 176.117 0.287 0.000 1.004 649 I CA 0.068 61.492 61.300 0.207 0.000 1.311 649 I CB 0.950 39.061 38.000 0.185 0.000 1.401 649 I HN 0.340 nan 8.210 nan 0.000 0.491 650 F N 5.737 125.742 119.950 0.090 0.000 2.493 650 F HA 0.723 5.248 4.527 -0.003 0.000 0.329 650 F C -0.473 175.388 175.800 0.102 0.000 1.126 650 F CA -0.611 57.466 58.000 0.129 0.000 0.937 650 F CB 1.550 40.562 39.000 0.020 0.000 1.146 650 F HN 0.498 nan 8.300 nan 0.000 0.442 651 A N 4.595 127.325 122.820 -0.151 0.000 2.356 651 A HA 0.915 5.233 4.320 -0.003 0.000 0.310 651 A C -1.493 176.034 177.584 -0.095 0.000 1.075 651 A CA -0.299 51.739 52.037 0.001 0.000 0.746 651 A CB 0.987 20.061 19.000 0.124 0.000 1.221 651 A HN 1.264 nan 8.150 nan 0.000 0.443 652 A N 2.957 125.811 122.820 0.057 0.000 2.356 652 A HA 0.778 5.097 4.320 -0.003 0.000 0.310 652 A C -1.136 176.458 177.584 0.017 0.000 1.075 652 A CA -0.507 51.565 52.037 0.058 0.000 0.746 652 A CB 0.981 20.072 19.000 0.152 0.000 1.221 652 A HN 0.916 nan 8.150 nan 0.000 0.443 653 D N 1.220 121.624 120.400 0.007 0.000 2.738 653 D HA 0.400 5.038 4.640 -0.003 0.000 0.237 653 D C -1.347 174.943 176.300 -0.017 0.000 1.123 653 D CA -0.351 53.658 54.000 0.014 0.000 0.856 653 D CB 0.892 41.748 40.800 0.094 0.000 1.552 653 D HN 0.339 nan 8.370 nan 0.000 0.480 654 Y N 0.494 120.828 120.300 0.058 0.000 2.425 654 Y HA 0.188 4.736 4.550 -0.003 0.000 0.331 654 Y C 1.372 177.287 175.900 0.025 0.000 1.157 654 Y CA 0.103 58.220 58.100 0.027 0.000 1.372 654 Y CB 1.208 39.668 38.460 0.000 0.000 1.253 654 Y HN 0.313 nan 8.280 nan 0.000 0.536 655 S N 4.687 120.493 115.700 0.177 0.000 2.411 655 S HA 0.126 4.594 4.470 -0.003 0.000 0.294 655 S C -0.309 174.333 174.600 0.069 0.000 1.115 655 S CA -0.648 57.621 58.200 0.114 0.000 1.071 655 S CB -0.110 63.147 63.200 0.094 0.000 0.967 655 S HN 0.719 nan 8.310 nan 0.000 0.488 656 Q N 2.762 122.599 119.800 0.062 0.000 2.451 656 Q HA -0.220 4.118 4.340 -0.003 0.000 0.305 656 Q C 0.658 176.568 176.000 -0.150 0.000 1.345 656 Q CA 0.780 56.583 55.803 -0.002 0.000 0.854 656 Q CB -2.218 26.572 28.738 0.085 0.000 1.162 656 Q HN 0.925 nan 8.270 nan 0.000 0.440 657 I N -0.488 120.011 120.570 -0.119 0.000 2.286 657 I HA -0.298 3.870 4.170 -0.003 0.000 0.248 657 I C 1.727 177.688 176.117 -0.260 0.000 1.115 657 I CA 1.780 62.932 61.300 -0.246 0.000 1.392 657 I CB 0.347 38.141 38.000 -0.344 0.000 1.065 657 I HN 0.242 nan 8.210 nan 0.000 0.418 658 E N 0.892 120.975 120.200 -0.195 0.000 2.051 658 E HA -0.209 4.139 4.350 -0.003 0.000 0.192 658 E C 2.113 178.605 176.600 -0.178 0.000 0.991 658 E CA 1.465 57.750 56.400 -0.192 0.000 0.799 658 E CB -0.331 29.241 29.700 -0.213 0.000 0.748 658 E HN 0.488 nan 8.360 nan 0.000 0.449 659 L N 0.134 121.271 121.223 -0.143 0.000 2.217 659 L HA -0.062 4.277 4.340 -0.003 0.000 0.211 659 L C 2.322 179.085 176.870 -0.178 0.000 1.107 659 L CA 0.826 55.642 54.840 -0.039 0.000 0.783 659 L CB -0.146 42.038 42.059 0.208 0.000 0.919 659 L HN 0.053 nan 8.230 nan 0.000 0.442 660 R N -0.870 119.290 120.500 -0.567 0.000 2.073 660 R HA -0.083 4.255 4.340 -0.003 0.000 0.229 660 R C 2.259 178.380 176.300 -0.298 0.000 1.120 660 R CA 0.867 56.534 56.100 -0.722 0.000 0.967 660 R CB -0.328 29.499 30.300 -0.788 0.000 0.862 660 R HN 0.118 nan 8.270 nan 0.000 0.436 661 V N 1.488 121.250 119.914 -0.254 0.000 2.343 661 V HA -0.225 3.893 4.120 -0.003 0.000 0.247 661 V C 2.153 178.177 176.094 -0.117 0.000 1.051 661 V CA 1.491 63.690 62.300 -0.168 0.000 1.036 661 V CB -0.388 31.325 31.823 -0.183 0.000 0.654 661 V HN 0.247 nan 8.190 nan 0.000 0.451 662 L N 0.971 122.108 121.223 -0.143 0.000 2.046 662 L HA -0.069 4.269 4.340 -0.003 0.000 0.208 662 L C 2.446 179.245 176.870 -0.118 0.000 1.077 662 L CA 2.413 57.150 54.840 -0.171 0.000 0.747 662 L CB -1.016 40.977 42.059 -0.110 0.000 0.896 662 L HN 0.212 nan 8.230 nan 0.000 0.432 663 A N -1.229 121.585 122.820 -0.010 0.000 1.908 663 A HA -0.320 3.998 4.320 -0.003 0.000 0.218 663 A C 2.287 179.883 177.584 0.020 0.000 1.181 663 A CA 1.928 54.002 52.037 0.062 0.000 0.627 663 A CB -1.097 18.025 19.000 0.204 0.000 0.818 663 A HN 0.767 nan 8.150 nan 0.000 0.445 664 H N 0.746 119.765 119.070 -0.086 0.000 2.299 664 H HA -0.088 4.466 4.556 -0.003 0.000 0.302 664 H C 1.859 177.125 175.328 -0.104 0.000 1.078 664 H CA 2.181 58.178 56.048 -0.085 0.000 1.323 664 H CB -0.316 29.384 29.762 -0.105 0.000 1.381 664 H HN 0.533 nan 8.280 nan 0.000 0.498 665 I N -1.702 118.760 120.570 -0.181 0.000 2.353 665 I HA 0.030 4.198 4.170 -0.003 0.000 0.248 665 I C 2.340 178.283 176.117 -0.291 0.000 1.119 665 I CA 1.470 62.607 61.300 -0.273 0.000 1.417 665 I CB -0.522 37.309 38.000 -0.282 0.000 1.078 665 I HN 0.312 nan 8.210 nan 0.000 0.421 666 A N 0.444 123.078 122.820 -0.308 0.000 2.123 666 A HA 0.016 4.334 4.320 -0.003 0.000 0.214 666 A C 1.207 178.764 177.584 -0.046 0.000 1.152 666 A CA 0.422 52.377 52.037 -0.135 0.000 0.728 666 A CB -0.532 18.416 19.000 -0.087 0.000 0.814 666 A HN 0.605 nan 8.150 nan 0.000 0.464 667 E N 0.478 120.626 120.200 -0.087 0.000 2.360 667 E HA -0.185 4.163 4.350 -0.003 0.000 0.238 667 E C -0.652 175.954 176.600 0.009 0.000 1.186 667 E CA 0.614 56.981 56.400 -0.055 0.000 0.719 667 E CB -1.273 28.386 29.700 -0.068 0.000 1.236 667 E HN 0.706 nan 8.360 nan 0.000 0.386 668 D N 0.597 121.023 120.400 0.045 0.000 2.325 668 D HA -0.009 4.629 4.640 -0.003 0.000 0.251 668 D C 0.805 177.160 176.300 0.093 0.000 1.196 668 D CA -0.192 53.865 54.000 0.096 0.000 0.866 668 D CB 0.743 41.644 40.800 0.168 0.000 1.101 668 D HN 0.039 nan 8.370 nan 0.000 0.476 669 D N 3.404 123.841 120.400 0.062 0.000 2.123 669 D HA -0.210 4.428 4.640 -0.003 0.000 0.196 669 D C 1.473 177.804 176.300 0.051 0.000 0.992 669 D CA 1.040 55.066 54.000 0.042 0.000 0.833 669 D CB 0.080 40.888 40.800 0.014 0.000 0.954 669 D HN 0.480 nan 8.370 nan 0.000 0.455 670 N N 0.217 118.951 118.700 0.056 0.000 2.106 670 N HA -0.114 4.624 4.740 -0.003 0.000 0.188 670 N C 1.697 177.309 175.510 0.169 0.000 1.029 670 N CA 0.454 53.528 53.050 0.041 0.000 0.848 670 N CB -0.322 38.081 38.487 -0.140 0.000 1.007 670 N HN 0.035 nan 8.380 nan 0.000 0.423 671 L N 0.447 121.849 121.223 0.299 0.000 2.056 671 L HA 0.071 4.409 4.340 -0.003 0.000 0.207 671 L C 2.142 179.104 176.870 0.152 0.000 1.078 671 L CA 1.423 56.380 54.840 0.195 0.000 0.749 671 L CB -0.505 41.626 42.059 0.119 0.000 0.901 671 L HN 0.266 nan 8.230 nan 0.000 0.433 672 M N -1.148 118.550 119.600 0.163 0.000 2.117 672 M HA -0.206 4.272 4.480 -0.003 0.000 0.262 672 M C 2.164 178.541 176.300 0.128 0.000 1.065 672 M CA 1.858 57.260 55.300 0.170 0.000 1.114 672 M CB -0.457 32.209 32.600 0.110 0.000 1.361 672 M HN 0.221 nan 8.290 nan 0.000 0.408 673 E N 0.932 121.176 120.200 0.074 0.000 2.110 673 E HA -0.150 4.198 4.350 -0.003 0.000 0.193 673 E C 1.812 178.420 176.600 0.013 0.000 0.988 673 E CA 1.875 58.299 56.400 0.039 0.000 0.804 673 E CB -0.168 29.541 29.700 0.015 0.000 0.745 673 E HN 0.398 nan 8.360 nan 0.000 0.458 674 A N -0.258 122.541 122.820 -0.034 0.000 1.883 674 A HA -0.142 4.176 4.320 -0.003 0.000 0.217 674 A C 2.039 179.516 177.584 -0.178 0.000 1.186 674 A CA 1.588 53.532 52.037 -0.155 0.000 0.624 674 A CB -0.953 17.876 19.000 -0.285 0.000 0.822 674 A HN 0.373 nan 8.150 nan 0.000 0.444 675 F N -0.288 119.670 119.950 0.014 0.000 2.325 675 F HA 0.017 4.543 4.527 -0.003 0.000 0.299 675 F C 2.442 178.247 175.800 0.009 0.000 1.090 675 F CA 1.059 59.060 58.000 0.003 0.000 1.392 675 F CB -0.291 38.707 39.000 -0.003 0.000 1.053 675 F HN 0.116 nan 8.300 nan 0.000 0.521 676 R N -0.168 120.434 120.500 0.170 0.000 2.148 676 R HA -0.032 4.306 4.340 -0.003 0.000 0.227 676 R C 1.789 178.132 176.300 0.071 0.000 1.103 676 R CA 0.811 56.974 56.100 0.106 0.000 0.983 676 R CB -0.159 30.187 30.300 0.077 0.000 0.874 676 R HN 0.227 nan 8.270 nan 0.000 0.451 677 R N 0.273 120.803 120.500 0.050 0.000 2.317 677 R HA -0.010 4.328 4.340 -0.003 0.000 0.208 677 R C -0.145 176.173 176.300 0.031 0.000 0.914 677 R CA 0.135 56.251 56.100 0.025 0.000 1.060 677 R CB 0.137 30.436 30.300 -0.001 0.000 1.015 677 R HN 0.039 nan 8.270 nan 0.000 0.498 678 D N 0.696 121.135 120.400 0.066 0.000 2.708 678 D HA -0.169 4.469 4.640 -0.003 0.000 0.236 678 D C -0.918 175.399 176.300 0.027 0.000 1.146 678 D CA 0.392 54.444 54.000 0.085 0.000 0.662 678 D CB -0.701 40.144 40.800 0.075 0.000 1.059 678 D HN -0.046 nan 8.370 nan 0.000 0.428 679 L N 0.880 122.082 121.223 -0.036 0.000 2.472 679 L HA 0.251 4.589 4.340 -0.003 0.000 0.260 679 L C 0.991 177.809 176.870 -0.087 0.000 1.209 679 L CA 0.168 54.965 54.840 -0.070 0.000 0.817 679 L CB 0.525 42.516 42.059 -0.114 0.000 1.106 679 L HN 0.136 nan 8.230 nan 0.000 0.479 680 D N 1.320 121.681 120.400 -0.066 0.000 2.344 680 D HA -0.051 4.587 4.640 -0.003 0.000 0.253 680 D C 1.137 177.354 176.300 -0.139 0.000 1.255 680 D CA -0.115 53.845 54.000 -0.067 0.000 0.894 680 D CB 0.632 41.424 40.800 -0.014 0.000 1.067 680 D HN 0.420 nan 8.370 nan 0.000 0.492 681 I N 5.418 125.834 120.570 -0.257 0.000 2.361 681 I HA -0.253 3.915 4.170 -0.003 0.000 0.251 681 I C 1.754 177.732 176.117 -0.231 0.000 1.133 681 I CA 1.460 62.552 61.300 -0.346 0.000 1.413 681 I CB -0.209 37.541 38.000 -0.417 0.000 1.073 681 I HN 0.492 nan 8.210 nan 0.000 0.424 682 H N -0.809 118.267 119.070 0.010 0.000 2.403 682 H HA 0.030 4.584 4.556 -0.003 0.000 0.298 682 H C 2.201 177.551 175.328 0.038 0.000 1.059 682 H CA 1.740 57.808 56.048 0.034 0.000 1.363 682 H CB -0.924 28.867 29.762 0.047 0.000 1.410 682 H HN 0.269 nan 8.280 nan 0.000 0.528 683 T N 1.279 115.906 114.554 0.122 0.000 2.777 683 T HA -0.129 4.220 4.350 -0.003 0.000 0.266 683 T C 2.112 176.846 174.700 0.057 0.000 1.040 683 T CA 1.699 63.850 62.100 0.085 0.000 1.141 683 T CB 0.080 68.979 68.868 0.051 0.000 0.868 683 T HN 0.168 nan 8.240 nan 0.000 0.444 684 K N 1.291 121.701 120.400 0.017 0.000 2.057 684 K HA -0.065 4.253 4.320 -0.003 0.000 0.207 684 K C 2.214 178.845 176.600 0.051 0.000 1.049 684 K CA 1.750 58.040 56.287 0.006 0.000 0.931 684 K CB -0.970 31.502 32.500 -0.046 0.000 0.714 684 K HN 0.218 nan 8.250 nan 0.000 0.440 685 T N 0.430 115.037 114.554 0.087 0.000 2.746 685 T HA -0.078 4.270 4.350 -0.003 0.000 0.267 685 T C 1.813 176.527 174.700 0.022 0.000 1.039 685 T CA 1.375 63.559 62.100 0.141 0.000 1.142 685 T CB -0.504 68.466 68.868 0.171 0.000 0.866 685 T HN 0.403 nan 8.240 nan 0.000 0.444 686 A N 1.377 124.230 122.820 0.054 0.000 1.902 686 A HA -0.058 4.260 4.320 -0.003 0.000 0.217 686 A C 2.334 179.989 177.584 0.119 0.000 1.181 686 A CA 1.536 53.639 52.037 0.109 0.000 0.623 686 A CB -0.702 18.462 19.000 0.272 0.000 0.818 686 A HN 0.448 nan 8.150 nan 0.000 0.443 687 M N -0.459 119.188 119.600 0.078 0.000 2.080 687 M HA -0.188 4.290 4.480 -0.003 0.000 0.260 687 M C 1.587 177.876 176.300 -0.017 0.000 1.068 687 M CA 1.844 57.173 55.300 0.048 0.000 1.109 687 M CB -0.526 32.083 32.600 0.015 0.000 1.342 687 M HN 0.344 nan 8.290 nan 0.000 0.405 688 D N 0.536 120.886 120.400 -0.085 0.000 2.091 688 D HA -0.091 4.547 4.640 -0.003 0.000 0.199 688 D C 1.889 178.067 176.300 -0.204 0.000 0.980 688 D CA 1.506 55.402 54.000 -0.174 0.000 0.831 688 D CB -0.440 40.179 40.800 -0.301 0.000 0.987 688 D HN 0.538 nan 8.370 nan 0.000 0.460 689 I N -2.547 117.846 120.570 -0.295 0.000 2.676 689 I HA -0.096 4.072 4.170 -0.003 0.000 0.259 689 I C 1.236 177.090 176.117 -0.437 0.000 1.194 689 I CA 1.104 62.149 61.300 -0.425 0.000 1.473 689 I CB -0.325 37.295 38.000 -0.634 0.000 1.096 689 I HN -0.231 nan 8.210 nan 0.000 0.443 690 F N 1.173 121.082 119.950 -0.069 0.000 2.695 690 F HA 0.299 4.825 4.527 -0.003 0.000 0.303 690 F C 0.692 176.474 175.800 -0.030 0.000 1.091 690 F CA -0.598 57.373 58.000 -0.049 0.000 1.300 690 F CB -0.274 38.692 39.000 -0.055 0.000 1.071 690 F HN 0.044 nan 8.300 nan 0.000 0.578 691 Q N 0.901 120.750 119.800 0.081 0.000 2.452 691 Q HA -0.145 4.193 4.340 -0.003 0.000 0.318 691 Q C -0.438 175.594 176.000 0.054 0.000 1.386 691 Q CA 0.839 56.666 55.803 0.039 0.000 0.872 691 Q CB -2.014 26.744 28.738 0.033 0.000 1.151 691 Q HN 0.381 nan 8.270 nan 0.000 0.417 692 V N -4.354 115.599 119.914 0.065 0.000 3.141 692 V HA 0.866 4.984 4.120 -0.003 0.000 0.312 692 V C 0.379 176.491 176.094 0.029 0.000 1.157 692 V CA -0.451 61.878 62.300 0.048 0.000 1.041 692 V CB 2.198 34.058 31.823 0.061 0.000 1.071 692 V HN 0.221 nan 8.190 nan 0.000 0.441 693 S N -0.600 115.111 115.700 0.018 0.000 2.624 693 S HA 0.202 4.670 4.470 -0.003 0.000 0.263 693 S C 1.076 175.685 174.600 0.014 0.000 1.287 693 S CA 0.667 58.873 58.200 0.009 0.000 0.990 693 S CB 1.004 64.206 63.200 0.004 0.000 0.950 693 S HN 1.089 nan 8.310 nan 0.000 0.561 694 E N 0.620 120.825 120.200 0.009 0.000 2.110 694 E HA -0.187 4.161 4.350 -0.003 0.000 0.193 694 E C 0.753 177.360 176.600 0.012 0.000 0.988 694 E CA 1.606 58.013 56.400 0.012 0.000 0.804 694 E CB -0.158 29.545 29.700 0.006 0.000 0.745 694 E HN 0.687 nan 8.360 nan 0.000 0.458 695 D N 0.492 120.895 120.400 0.006 0.000 2.264 695 D HA -0.120 4.518 4.640 -0.003 0.000 0.208 695 D C 1.111 177.412 176.300 0.002 0.000 0.966 695 D CA 0.813 54.815 54.000 0.003 0.000 0.864 695 D CB -0.020 40.780 40.800 0.000 0.000 0.933 695 D HN 0.420 nan 8.370 nan 0.000 0.499 696 E N 0.191 120.393 120.200 0.005 0.000 2.489 696 E HA 0.041 4.389 4.350 -0.003 0.000 0.193 696 E C 0.172 176.770 176.600 -0.003 0.000 1.057 696 E CA -0.088 56.311 56.400 -0.000 0.000 0.866 696 E CB 0.839 30.541 29.700 0.004 0.000 0.916 696 E HN -0.007 nan 8.360 nan 0.000 0.500 697 V N 3.213 123.134 119.914 0.011 0.000 2.439 697 V HA 0.007 4.125 4.120 -0.003 0.000 0.271 697 V C 0.760 176.851 176.094 -0.005 0.000 1.040 697 V CA -0.068 62.242 62.300 0.017 0.000 1.002 697 V CB 0.431 32.285 31.823 0.050 0.000 1.000 697 V HN 0.220 nan 8.190 nan 0.000 0.477 698 T N 3.700 118.232 114.554 -0.037 0.000 2.874 698 T HA 0.341 4.690 4.350 -0.003 0.000 0.281 698 T C -1.682 173.002 174.700 -0.027 0.000 0.994 698 T CA -1.820 60.256 62.100 -0.040 0.000 1.015 698 T CB 1.464 70.290 68.868 -0.069 0.000 1.028 698 T HN 0.357 nan 8.240 nan 0.000 0.523 699 P HA -0.076 nan 4.420 nan 0.000 0.215 699 P C 1.451 178.742 177.300 -0.014 0.000 1.153 699 P CA 0.924 64.017 63.100 -0.011 0.000 0.853 699 P CB -0.037 31.655 31.700 -0.014 0.000 0.788 700 N N -1.371 117.309 118.700 -0.032 0.000 2.244 700 N HA -0.098 4.640 4.740 -0.003 0.000 0.183 700 N C 1.641 177.129 175.510 -0.036 0.000 1.016 700 N CA 1.190 54.220 53.050 -0.032 0.000 0.866 700 N CB -0.572 37.889 38.487 -0.045 0.000 0.980 700 N HN 0.029 nan 8.380 nan 0.000 0.430 701 M N -0.438 119.108 119.600 -0.089 0.000 2.117 701 M HA -0.111 4.367 4.480 -0.003 0.000 0.262 701 M C 2.275 178.660 176.300 0.141 0.000 1.065 701 M CA 1.231 56.466 55.300 -0.109 0.000 1.114 701 M CB -0.137 32.326 32.600 -0.229 0.000 1.361 701 M HN 0.133 nan 8.290 nan 0.000 0.408 702 R N 0.260 120.812 120.500 0.087 0.000 2.092 702 R HA -0.153 4.185 4.340 -0.003 0.000 0.231 702 R C 2.275 178.612 176.300 0.062 0.000 1.119 702 R CA 1.492 57.655 56.100 0.105 0.000 0.970 702 R CB -0.162 30.185 30.300 0.079 0.000 0.864 702 R HN 0.262 nan 8.270 nan 0.000 0.440 703 R N 0.420 120.938 120.500 0.029 0.000 2.073 703 R HA -0.158 4.180 4.340 -0.003 0.000 0.234 703 R C 2.117 178.427 176.300 0.017 0.000 1.134 703 R CA 2.012 58.109 56.100 -0.006 0.000 0.952 703 R CB -0.089 30.206 30.300 -0.009 0.000 0.850 703 R HN 0.390 nan 8.270 nan 0.000 0.433 704 Q N -0.569 119.281 119.800 0.083 0.000 2.172 704 Q HA -0.060 4.278 4.340 -0.003 0.000 0.200 704 Q C 2.079 178.132 176.000 0.088 0.000 0.964 704 Q CA 1.241 57.125 55.803 0.134 0.000 0.855 704 Q CB 0.030 28.918 28.738 0.250 0.000 0.918 704 Q HN 0.442 nan 8.270 nan 0.000 0.444 705 A N 1.657 124.537 122.820 0.099 0.000 1.969 705 A HA -0.186 4.132 4.320 -0.003 0.000 0.218 705 A C 2.021 179.644 177.584 0.065 0.000 1.169 705 A CA 1.389 53.453 52.037 0.045 0.000 0.635 705 A CB -0.320 18.740 19.000 0.099 0.000 0.810 705 A HN 0.192 nan 8.150 nan 0.000 0.445 706 K N -0.194 120.200 120.400 -0.010 0.000 2.148 706 K HA -0.015 4.303 4.320 -0.003 0.000 0.204 706 K C 2.044 178.610 176.600 -0.057 0.000 1.050 706 K CA 1.066 57.219 56.287 -0.224 0.000 0.942 706 K CB -0.281 31.907 32.500 -0.520 0.000 0.724 706 K HN 0.347 nan 8.250 nan 0.000 0.446 707 A N 0.637 123.454 122.820 -0.006 0.000 1.930 707 A HA -0.069 4.249 4.320 -0.003 0.000 0.217 707 A C 2.155 179.814 177.584 0.124 0.000 1.175 707 A CA 1.324 53.392 52.037 0.051 0.000 0.627 707 A CB -0.435 18.588 19.000 0.038 0.000 0.815 707 A HN 0.159 nan 8.150 nan 0.000 0.443 708 V N 1.003 120.959 119.914 0.070 0.000 2.307 708 V HA -0.242 3.876 4.120 -0.003 0.000 0.245 708 V C 2.267 178.339 176.094 -0.037 0.000 1.045 708 V CA 2.071 64.373 62.300 0.003 0.000 1.024 708 V CB -0.919 30.870 31.823 -0.058 0.000 0.651 708 V HN 0.544 nan 8.190 nan 0.000 0.449 709 N N -0.139 118.583 118.700 0.036 0.000 2.142 709 N HA -0.153 4.585 4.740 -0.003 0.000 0.186 709 N C 1.720 177.274 175.510 0.073 0.000 1.023 709 N CA 1.546 54.625 53.050 0.048 0.000 0.852 709 N CB -0.504 38.112 38.487 0.215 0.000 0.998 709 N HN 0.547 nan 8.380 nan 0.000 0.424 710 F N 1.613 121.567 119.950 0.006 0.000 2.161 710 F HA -0.076 4.449 4.527 -0.003 0.000 0.300 710 F C 2.169 178.011 175.800 0.070 0.000 1.089 710 F CA 1.625 59.656 58.000 0.052 0.000 1.282 710 F CB -0.471 38.587 39.000 0.097 0.000 1.010 710 F HN 0.008 nan 8.300 nan 0.000 0.485 711 G N 0.592 109.518 108.800 0.210 0.000 2.408 711 G HA2 -0.190 3.768 3.960 -0.003 0.000 0.217 711 G HA3 -0.190 3.768 3.960 -0.003 0.000 0.217 711 G C 1.739 176.607 174.900 -0.054 0.000 1.150 711 G CA 1.081 46.241 45.100 0.100 0.000 0.776 711 G HN 0.481 nan 8.290 nan 0.000 0.542 712 I N 0.274 120.775 120.570 -0.115 0.000 2.353 712 I HA -0.084 4.084 4.170 -0.003 0.000 0.248 712 I C 2.655 178.668 176.117 -0.174 0.000 1.119 712 I CA 0.273 61.485 61.300 -0.146 0.000 1.417 712 I CB -0.044 37.829 38.000 -0.212 0.000 1.078 712 I HN 0.007 nan 8.210 nan 0.000 0.421 713 V N -0.023 119.725 119.914 -0.277 0.000 2.427 713 V HA -0.265 3.854 4.120 -0.003 0.000 0.248 713 V C 1.857 177.616 176.094 -0.558 0.000 1.051 713 V CA 1.839 63.868 62.300 -0.451 0.000 1.048 713 V CB -0.588 30.846 31.823 -0.648 0.000 0.666 713 V HN 0.357 nan 8.190 nan 0.000 0.456 714 Y N 0.073 120.183 120.300 -0.316 0.000 2.462 714 Y HA 0.447 4.995 4.550 -0.003 0.000 0.261 714 Y C 1.848 177.630 175.900 -0.196 0.000 1.146 714 Y CA -0.094 57.822 58.100 -0.306 0.000 1.283 714 Y CB -0.275 37.873 38.460 -0.520 0.000 1.090 714 Y HN 0.302 nan 8.280 nan 0.000 0.526 715 G N 2.153 110.926 108.800 -0.046 0.000 2.314 715 G HA2 -0.304 3.654 3.960 -0.003 0.000 0.292 715 G HA3 -0.304 3.654 3.960 -0.003 0.000 0.292 715 G C 0.344 175.221 174.900 -0.039 0.000 1.059 715 G CA 0.440 45.507 45.100 -0.056 0.000 0.982 715 G HN 0.554 nan 8.290 nan 0.000 0.505 716 I N -1.346 119.237 120.570 0.021 0.000 2.823 716 I HA 0.649 4.817 4.170 -0.003 0.000 0.290 716 I C 0.976 177.131 176.117 0.065 0.000 1.091 716 I CA -0.294 61.047 61.300 0.069 0.000 1.365 716 I CB 0.970 39.056 38.000 0.144 0.000 1.427 716 I HN 0.420 nan 8.210 nan 0.000 0.583 717 S N 2.387 118.149 115.700 0.104 0.000 2.596 717 S HA 0.082 4.550 4.470 -0.003 0.000 0.260 717 S C 0.519 175.202 174.600 0.137 0.000 1.336 717 S CA -0.209 58.066 58.200 0.125 0.000 0.993 717 S CB 0.970 64.285 63.200 0.193 0.000 0.923 717 S HN 0.747 nan 8.310 nan 0.000 0.567 718 D N -0.113 120.377 120.400 0.150 0.000 2.178 718 D HA -0.073 4.565 4.640 -0.003 0.000 0.201 718 D C 1.415 177.827 176.300 0.187 0.000 0.980 718 D CA 1.273 55.362 54.000 0.149 0.000 0.842 718 D CB -0.476 40.419 40.800 0.160 0.000 0.948 718 D HN 0.695 nan 8.370 nan 0.000 0.472 719 Y N 1.502 121.852 120.300 0.083 0.000 2.200 719 Y HA -0.051 4.497 4.550 -0.003 0.000 0.290 719 Y C 2.378 178.323 175.900 0.075 0.000 1.137 719 Y CA 1.745 59.891 58.100 0.076 0.000 1.163 719 Y CB -0.615 37.895 38.460 0.082 0.000 0.988 719 Y HN -0.023 nan 8.280 nan 0.000 0.518 720 G N 0.030 108.865 108.800 0.057 0.000 2.448 720 G HA2 -0.259 3.699 3.960 -0.003 0.000 0.219 720 G HA3 -0.259 3.699 3.960 -0.003 0.000 0.219 720 G C 1.595 176.489 174.900 -0.011 0.000 1.127 720 G CA 1.050 46.138 45.100 -0.019 0.000 0.766 720 G HN 0.452 nan 8.290 nan 0.000 0.552 721 L N 1.166 122.413 121.223 0.039 0.000 2.023 721 L HA 0.319 4.657 4.340 -0.003 0.000 0.205 721 L C 3.055 179.933 176.870 0.014 0.000 1.073 721 L CA 2.018 56.892 54.840 0.056 0.000 0.745 721 L CB -0.833 41.275 42.059 0.081 0.000 0.900 721 L HN 0.189 nan 8.230 nan 0.000 0.435 722 A N -0.824 121.991 122.820 -0.009 0.000 1.958 722 A HA -0.317 4.001 4.320 -0.003 0.000 0.221 722 A C 2.156 179.696 177.584 -0.073 0.000 1.178 722 A CA 2.296 54.313 52.037 -0.033 0.000 0.642 722 A CB -0.630 18.368 19.000 -0.003 0.000 0.816 722 A HN 0.712 nan 8.150 nan 0.000 0.453 723 Q N -0.774 118.938 119.800 -0.146 0.000 2.096 723 Q HA -0.041 4.297 4.340 -0.003 0.000 0.197 723 Q C 1.821 177.774 176.000 -0.078 0.000 0.964 723 Q CA 1.246 56.961 55.803 -0.147 0.000 0.838 723 Q CB -0.217 28.367 28.738 -0.257 0.000 0.906 723 Q HN 0.799 nan 8.270 nan 0.000 0.444 724 N N 0.248 118.912 118.700 -0.060 0.000 2.348 724 N HA -0.107 4.631 4.740 -0.003 0.000 0.185 724 N C 1.049 176.550 175.510 -0.016 0.000 1.019 724 N CA 0.683 53.705 53.050 -0.047 0.000 0.880 724 N CB 0.108 38.575 38.487 -0.034 0.000 0.965 724 N HN 0.189 nan 8.380 nan 0.000 0.437 725 L N -0.287 120.943 121.223 0.013 0.000 2.640 725 L HA 0.146 4.484 4.340 -0.003 0.000 0.230 725 L C 0.198 177.081 176.870 0.022 0.000 1.123 725 L CA -0.227 54.647 54.840 0.056 0.000 0.900 725 L CB -0.072 42.059 42.059 0.119 0.000 1.146 725 L HN 0.109 nan 8.230 nan 0.000 0.484 726 N N 1.605 120.299 118.700 -0.010 0.000 2.714 726 N HA -0.221 4.517 4.740 -0.003 0.000 0.252 726 N C -0.376 175.127 175.510 -0.013 0.000 1.014 726 N CA 0.785 53.825 53.050 -0.016 0.000 0.735 726 N CB -0.857 37.627 38.487 -0.005 0.000 0.924 726 N HN 0.623 nan 8.380 nan 0.000 0.540 727 I N -4.641 115.912 120.570 -0.028 0.000 3.457 727 I HA 0.653 4.821 4.170 -0.003 0.000 0.307 727 I C 0.287 176.383 176.117 -0.035 0.000 1.138 727 I CA -0.976 60.298 61.300 -0.043 0.000 0.974 727 I CB 1.643 39.584 38.000 -0.098 0.000 1.324 727 I HN 0.108 nan 8.210 nan 0.000 0.485 728 S N 0.538 116.213 115.700 -0.042 0.000 2.601 728 S HA 0.316 4.785 4.470 -0.003 0.000 0.271 728 S C 1.021 175.615 174.600 -0.010 0.000 1.305 728 S CA -0.438 57.756 58.200 -0.010 0.000 1.022 728 S CB 1.441 64.635 63.200 -0.010 0.000 0.940 728 S HN 0.896 nan 8.310 nan 0.000 0.525 729 R N 2.163 122.689 120.500 0.044 0.000 2.105 729 R HA -0.185 4.153 4.340 -0.003 0.000 0.239 729 R C 1.851 178.167 176.300 0.025 0.000 1.135 729 R CA 1.638 57.777 56.100 0.064 0.000 0.967 729 R CB -0.776 29.593 30.300 0.115 0.000 0.861 729 R HN 0.839 nan 8.270 nan 0.000 0.442 730 K N 1.181 121.587 120.400 0.011 0.000 2.026 730 K HA -0.150 4.169 4.320 -0.003 0.000 0.208 730 K C 1.733 178.311 176.600 -0.037 0.000 1.048 730 K CA 1.825 58.112 56.287 -0.001 0.000 0.929 730 K CB -0.232 32.267 32.500 -0.001 0.000 0.713 730 K HN 0.352 nan 8.250 nan 0.000 0.439 731 E N 0.784 120.931 120.200 -0.088 0.000 2.208 731 E HA -0.086 4.262 4.350 -0.003 0.000 0.193 731 E C 2.117 178.526 176.600 -0.318 0.000 0.988 731 E CA 0.759 57.040 56.400 -0.199 0.000 0.828 731 E CB -0.059 29.494 29.700 -0.244 0.000 0.763 731 E HN 0.503 nan 8.360 nan 0.000 0.478 732 A N 1.602 124.302 122.820 -0.200 0.000 1.855 732 A HA -0.090 4.228 4.320 -0.003 0.000 0.215 732 A C 2.426 179.997 177.584 -0.022 0.000 1.191 732 A CA 1.563 53.518 52.037 -0.137 0.000 0.613 732 A CB -0.706 18.276 19.000 -0.029 0.000 0.829 732 A HN 0.286 nan 8.150 nan 0.000 0.442 733 A N -0.059 122.768 122.820 0.012 0.000 2.024 733 A HA -0.204 4.114 4.320 -0.003 0.000 0.220 733 A C 1.844 179.469 177.584 0.068 0.000 1.164 733 A CA 1.755 53.826 52.037 0.056 0.000 0.643 733 A CB -0.571 18.471 19.000 0.069 0.000 0.806 733 A HN 0.690 nan 8.150 nan 0.000 0.451 734 E N -1.055 119.170 120.200 0.041 0.000 2.150 734 E HA -0.095 4.253 4.350 -0.003 0.000 0.193 734 E C 1.693 178.422 176.600 0.214 0.000 0.985 734 E CA 0.830 57.284 56.400 0.089 0.000 0.814 734 E CB -0.276 29.448 29.700 0.040 0.000 0.752 734 E HN 0.810 nan 8.360 nan 0.000 0.466 735 F N 0.862 120.820 119.950 0.014 0.000 2.113 735 F HA -0.151 4.374 4.527 -0.003 0.000 0.297 735 F C 2.318 178.082 175.800 -0.061 0.000 1.103 735 F CA 0.369 58.360 58.000 -0.015 0.000 1.248 735 F CB -0.040 38.958 39.000 -0.003 0.000 0.999 735 F HN -0.019 nan 8.300 nan 0.000 0.475 736 I N 0.170 120.799 120.570 0.100 0.000 2.264 736 I HA -0.315 3.853 4.170 -0.003 0.000 0.248 736 I C 2.376 178.361 176.117 -0.222 0.000 1.111 736 I CA 1.412 62.604 61.300 -0.180 0.000 1.382 736 I CB -0.555 37.327 38.000 -0.196 0.000 1.060 736 I HN 0.216 nan 8.210 nan 0.000 0.418 737 E N 1.080 121.294 120.200 0.023 0.000 2.077 737 E HA -0.232 4.116 4.350 -0.003 0.000 0.193 737 E C 2.366 179.045 176.600 0.131 0.000 0.989 737 E CA 1.043 57.527 56.400 0.141 0.000 0.800 737 E CB 0.149 29.938 29.700 0.148 0.000 0.746 737 E HN 0.302 nan 8.360 nan 0.000 0.452 738 R N -0.220 120.335 120.500 0.093 0.000 2.092 738 R HA -0.157 4.182 4.340 -0.003 0.000 0.231 738 R C 2.206 178.524 176.300 0.030 0.000 1.119 738 R CA 1.140 57.268 56.100 0.047 0.000 0.970 738 R CB -1.127 29.177 30.300 0.006 0.000 0.864 738 R HN 0.396 nan 8.270 nan 0.000 0.440 739 Y N 0.757 121.003 120.300 -0.091 0.000 2.145 739 Y HA -0.170 4.378 4.550 -0.003 0.000 0.286 739 Y C 2.053 178.049 175.900 0.161 0.000 1.145 739 Y CA 1.435 59.528 58.100 -0.011 0.000 1.148 739 Y CB -0.558 37.811 38.460 -0.152 0.000 0.981 739 Y HN -0.068 nan 8.280 nan 0.000 0.507 740 F N 0.468 120.617 119.950 0.331 0.000 2.216 740 F HA -0.198 4.327 4.527 -0.003 0.000 0.300 740 F C 2.216 178.049 175.800 0.056 0.000 1.085 740 F CA 1.092 59.228 58.000 0.227 0.000 1.326 740 F CB -0.146 38.975 39.000 0.201 0.000 1.027 740 F HN 0.163 nan 8.300 nan 0.000 0.497 741 E N -0.219 120.088 120.200 0.179 0.000 2.150 741 E HA -0.135 4.214 4.350 -0.003 0.000 0.193 741 E C 2.118 178.652 176.600 -0.110 0.000 0.985 741 E CA 1.327 57.750 56.400 0.038 0.000 0.814 741 E CB -0.156 29.553 29.700 0.016 0.000 0.752 741 E HN 0.260 nan 8.360 nan 0.000 0.466 742 S N 0.087 115.629 115.700 -0.263 0.000 2.446 742 S HA 0.041 4.509 4.470 -0.003 0.000 0.225 742 S C 0.368 174.409 174.600 -0.931 0.000 1.016 742 S CA 0.497 58.312 58.200 -0.641 0.000 0.943 742 S CB 0.173 62.845 63.200 -0.880 0.000 0.786 742 S HN 0.110 nan 8.310 nan 0.000 0.508 743 F N 1.585 121.407 119.950 -0.213 0.000 2.523 743 F HA 0.362 4.887 4.527 -0.003 0.000 0.322 743 F C -1.934 173.897 175.800 0.052 0.000 1.361 743 F CA -2.364 55.552 58.000 -0.139 0.000 1.151 743 F CB 1.068 39.869 39.000 -0.332 0.000 1.391 743 F HN -0.023 nan 8.300 nan 0.000 0.566 744 P HA -0.128 nan 4.420 nan 0.000 0.219 744 P C 1.669 179.030 177.300 0.100 0.000 1.146 744 P CA 1.377 64.537 63.100 0.101 0.000 0.808 744 P CB 0.356 32.076 31.700 0.034 0.000 0.779 745 G N 0.436 109.312 108.800 0.127 0.000 2.402 745 G HA2 -0.173 3.785 3.960 -0.003 0.000 0.216 745 G HA3 -0.173 3.785 3.960 -0.003 0.000 0.216 745 G C 1.715 176.717 174.900 0.169 0.000 1.162 745 G CA 0.541 45.711 45.100 0.117 0.000 0.777 745 G HN 0.165 nan 8.290 nan 0.000 0.539 746 V N 0.900 120.966 119.914 0.254 0.000 2.407 746 V HA -0.165 3.953 4.120 -0.003 0.000 0.248 746 V C 2.669 178.918 176.094 0.260 0.000 1.055 746 V CA 2.226 64.726 62.300 0.334 0.000 1.049 746 V CB -0.369 31.749 31.823 0.491 0.000 0.662 746 V HN 0.439 nan 8.190 nan 0.000 0.455 747 K N 0.416 120.880 120.400 0.105 0.000 2.002 747 K HA -0.245 4.073 4.320 -0.003 0.000 0.209 747 K C 2.435 178.907 176.600 -0.213 0.000 1.048 747 K CA 1.908 57.966 56.287 -0.381 0.000 0.930 747 K CB -0.233 31.997 32.500 -0.449 0.000 0.714 747 K HN 0.303 nan 8.250 nan 0.000 0.438 748 R N -0.347 120.112 120.500 -0.068 0.000 2.091 748 R HA -0.224 4.114 4.340 -0.003 0.000 0.238 748 R C 2.416 178.702 176.300 -0.023 0.000 1.136 748 R CA 1.893 57.965 56.100 -0.045 0.000 0.959 748 R CB -0.540 29.760 30.300 0.000 0.000 0.856 748 R HN 0.382 nan 8.270 nan 0.000 0.437 749 Y N 0.797 121.069 120.300 -0.046 0.000 2.128 749 Y HA -0.245 4.303 4.550 -0.003 0.000 0.284 749 Y C 2.089 177.962 175.900 -0.045 0.000 1.154 749 Y CA 1.810 59.890 58.100 -0.034 0.000 1.149 749 Y CB -0.188 38.269 38.460 -0.005 0.000 0.976 749 Y HN 0.022 nan 8.280 nan 0.000 0.505 750 M N 0.575 119.995 119.600 -0.300 0.000 2.117 750 M HA -0.197 4.281 4.480 -0.003 0.000 0.262 750 M C 1.985 178.099 176.300 -0.310 0.000 1.065 750 M CA 1.812 56.898 55.300 -0.357 0.000 1.114 750 M CB -1.215 31.312 32.600 -0.122 0.000 1.361 750 M HN 0.431 nan 8.290 nan 0.000 0.408 751 E N 0.003 120.061 120.200 -0.238 0.000 2.047 751 E HA -0.164 4.184 4.350 -0.003 0.000 0.191 751 E C 1.852 178.346 176.600 -0.176 0.000 0.987 751 E CA 0.964 57.257 56.400 -0.179 0.000 0.799 751 E CB -0.208 29.404 29.700 -0.148 0.000 0.752 751 E HN 0.491 nan 8.360 nan 0.000 0.449 752 N N 1.002 119.591 118.700 -0.186 0.000 2.142 752 N HA -0.135 4.603 4.740 -0.003 0.000 0.186 752 N C 1.844 177.231 175.510 -0.204 0.000 1.023 752 N CA 0.685 53.641 53.050 -0.157 0.000 0.852 752 N CB -0.210 38.216 38.487 -0.102 0.000 0.998 752 N HN 0.104 nan 8.380 nan 0.000 0.424 753 I N 0.645 121.006 120.570 -0.348 0.000 2.315 753 I HA -0.136 4.032 4.170 -0.003 0.000 0.248 753 I C 1.863 177.838 176.117 -0.236 0.000 1.117 753 I CA 0.712 61.807 61.300 -0.341 0.000 1.404 753 I CB -0.148 37.487 38.000 -0.608 0.000 1.071 753 I HN -0.157 nan 8.210 nan 0.000 0.419 754 V N 0.315 120.096 119.914 -0.222 0.000 2.343 754 V HA -0.317 3.801 4.120 -0.003 0.000 0.247 754 V C 2.460 178.484 176.094 -0.117 0.000 1.051 754 V CA 2.198 64.409 62.300 -0.149 0.000 1.036 754 V CB -0.776 30.972 31.823 -0.125 0.000 0.654 754 V HN 0.570 nan 8.190 nan 0.000 0.451 755 Q N -0.091 119.638 119.800 -0.118 0.000 2.050 755 Q HA -0.273 4.066 4.340 -0.003 0.000 0.202 755 Q C 2.341 178.280 176.000 -0.103 0.000 0.980 755 Q CA 2.156 57.903 55.803 -0.093 0.000 0.840 755 Q CB -0.154 28.532 28.738 -0.086 0.000 0.898 755 Q HN 0.750 nan 8.270 nan 0.000 0.424 756 E N -0.447 119.676 120.200 -0.128 0.000 2.077 756 E HA -0.215 4.133 4.350 -0.003 0.000 0.193 756 E C 1.819 178.309 176.600 -0.183 0.000 0.989 756 E CA 0.990 57.299 56.400 -0.151 0.000 0.800 756 E CB -0.149 29.456 29.700 -0.158 0.000 0.746 756 E HN 0.478 nan 8.360 nan 0.000 0.452 757 A N 1.486 124.208 122.820 -0.163 0.000 1.940 757 A HA -0.237 4.082 4.320 -0.003 0.000 0.219 757 A C 2.099 179.623 177.584 -0.099 0.000 1.176 757 A CA 1.836 53.786 52.037 -0.146 0.000 0.631 757 A CB -0.476 18.465 19.000 -0.099 0.000 0.814 757 A HN 0.213 nan 8.150 nan 0.000 0.446 758 K N -0.843 119.510 120.400 -0.078 0.000 2.057 758 K HA -0.176 4.142 4.320 -0.003 0.000 0.206 758 K C 2.347 178.918 176.600 -0.047 0.000 1.050 758 K CA 1.410 57.670 56.287 -0.045 0.000 0.935 758 K CB -0.190 32.287 32.500 -0.039 0.000 0.715 758 K HN 0.540 nan 8.250 nan 0.000 0.439 759 Q N 1.092 120.848 119.800 -0.075 0.000 2.016 759 Q HA -0.159 4.179 4.340 -0.003 0.000 0.200 759 Q C 1.607 177.560 176.000 -0.079 0.000 0.978 759 Q CA 1.716 57.478 55.803 -0.069 0.000 0.833 759 Q CB 0.104 28.794 28.738 -0.080 0.000 0.895 759 Q HN 0.278 nan 8.270 nan 0.000 0.427 760 K N -1.453 118.847 120.400 -0.167 0.000 2.243 760 K HA 0.033 4.351 4.320 -0.003 0.000 0.201 760 K C 1.153 177.698 176.600 -0.091 0.000 1.051 760 K CA 0.690 56.836 56.287 -0.234 0.000 0.970 760 K CB 0.289 32.403 32.500 -0.644 0.000 0.755 760 K HN 0.497 nan 8.250 nan 0.000 0.465 761 G N 0.757 109.518 108.800 -0.064 0.000 2.176 761 G HA2 -0.256 3.702 3.960 -0.003 0.000 0.232 761 G HA3 -0.256 3.702 3.960 -0.003 0.000 0.232 761 G C -0.171 174.884 174.900 0.257 0.000 0.986 761 G CA 0.484 45.675 45.100 0.151 0.000 0.643 761 G HN 0.383 nan 8.290 nan 0.000 0.522 762 Y N -2.019 118.275 120.300 -0.011 0.000 2.689 762 Y HA 0.743 5.291 4.550 -0.003 0.000 0.333 762 Y C -0.332 175.488 175.900 -0.133 0.000 1.208 762 Y CA -1.258 56.753 58.100 -0.148 0.000 1.055 762 Y CB 0.864 39.026 38.460 -0.496 0.000 1.304 762 Y HN 0.999 nan 8.280 nan 0.000 0.455 763 V N -0.857 119.055 119.914 -0.004 0.000 3.046 763 V HA 1.007 5.125 4.120 -0.003 0.000 0.316 763 V C -0.439 175.703 176.094 0.079 0.000 1.104 763 V CA -0.216 62.060 62.300 -0.039 0.000 1.006 763 V CB 1.332 33.134 31.823 -0.035 0.000 1.058 763 V HN 1.389 nan 8.190 nan 0.000 0.440 764 T N -0.811 113.778 114.554 0.057 0.000 2.901 764 T HA 0.811 5.160 4.350 -0.003 0.000 0.293 764 T C -0.018 174.720 174.700 0.063 0.000 1.084 764 T CA 0.001 62.143 62.100 0.070 0.000 1.008 764 T CB 1.696 70.612 68.868 0.080 0.000 1.170 764 T HN 1.483 nan 8.240 nan 0.000 0.509 765 T N -0.750 113.844 114.554 0.067 0.000 2.922 765 T HA 0.515 4.863 4.350 -0.003 0.000 0.281 765 T C 1.591 176.350 174.700 0.099 0.000 1.005 765 T CA -1.137 60.999 62.100 0.060 0.000 0.982 765 T CB 0.501 69.385 68.868 0.028 0.000 1.158 765 T HN 0.530 nan 8.240 nan 0.000 0.566 766 L N -0.235 121.023 121.223 0.058 0.000 2.043 766 L HA -0.036 4.302 4.340 -0.003 0.000 0.212 766 L C 2.026 178.915 176.870 0.031 0.000 1.075 766 L CA 1.415 56.287 54.840 0.053 0.000 0.752 766 L CB -0.585 41.463 42.059 -0.018 0.000 0.891 766 L HN 0.585 nan 8.230 nan 0.000 0.432 767 L N -1.202 120.017 121.223 -0.007 0.000 2.685 767 L HA 0.124 4.462 4.340 -0.003 0.000 0.233 767 L C 0.181 177.032 176.870 -0.031 0.000 1.173 767 L CA 0.025 54.805 54.840 -0.100 0.000 0.961 767 L CB -0.618 41.395 42.059 -0.077 0.000 1.217 767 L HN 0.407 nan 8.230 nan 0.000 0.478 768 H N -1.391 117.676 119.070 -0.006 0.000 2.999 768 H HA -0.154 4.400 4.556 -0.003 0.000 0.262 768 H C 1.048 176.354 175.328 -0.036 0.000 1.240 768 H CA -0.025 56.018 56.048 -0.009 0.000 1.115 768 H CB -0.747 29.012 29.762 -0.005 0.000 1.274 768 H HN 0.419 nan 8.280 nan 0.000 0.358 769 R N 1.939 122.480 120.500 0.067 0.000 2.641 769 R HA 0.336 4.674 4.340 -0.003 0.000 0.269 769 R C 0.417 176.686 176.300 -0.051 0.000 1.074 769 R CA -0.163 55.925 56.100 -0.021 0.000 1.133 769 R CB 0.712 30.992 30.300 -0.034 0.000 1.029 769 R HN 0.434 nan 8.270 nan 0.000 0.488 770 R N 1.928 122.347 120.500 -0.135 0.000 2.837 770 R HA 0.506 4.844 4.340 -0.003 0.000 0.271 770 R C -1.347 174.823 176.300 -0.216 0.000 0.993 770 R CA -1.099 54.891 56.100 -0.184 0.000 0.931 770 R CB 1.666 31.738 30.300 -0.380 0.000 1.206 770 R HN 0.557 nan 8.270 nan 0.000 0.474 771 R N 2.225 122.612 120.500 -0.189 0.000 2.515 771 R HA 0.273 4.611 4.340 -0.003 0.000 0.291 771 R C -1.546 174.688 176.300 -0.111 0.000 1.046 771 R CA -0.660 55.372 56.100 -0.114 0.000 0.914 771 R CB 1.225 31.513 30.300 -0.021 0.000 1.191 771 R HN 0.667 nan 8.270 nan 0.000 0.435 772 Y N 4.101 124.452 120.300 0.086 0.000 2.346 772 Y HA 0.254 4.803 4.550 -0.003 0.000 0.330 772 Y C 0.404 176.361 175.900 0.095 0.000 1.178 772 Y CA -0.143 58.029 58.100 0.119 0.000 1.331 772 Y CB 1.085 39.590 38.460 0.075 0.000 1.253 772 Y HN 0.401 nan 8.280 nan 0.000 0.529 773 L N 6.304 127.665 121.223 0.229 0.000 2.556 773 L HA 0.252 4.590 4.340 -0.003 0.000 0.243 773 L C -1.722 175.225 176.870 0.129 0.000 1.331 773 L CA -1.341 53.587 54.840 0.147 0.000 0.927 773 L CB 1.125 43.234 42.059 0.083 0.000 1.219 773 L HN 0.511 nan 8.230 nan 0.000 0.490 774 P HA -0.149 nan 4.420 nan 0.000 0.222 774 P C 0.422 177.764 177.300 0.069 0.000 1.147 774 P CA 1.064 64.220 63.100 0.093 0.000 0.790 774 P CB 0.442 32.189 31.700 0.077 0.000 0.780 775 D N -0.489 119.956 120.400 0.076 0.000 2.363 775 D HA -0.037 4.602 4.640 -0.003 0.000 0.220 775 D C 1.730 178.060 176.300 0.050 0.000 0.994 775 D CA 0.180 54.218 54.000 0.062 0.000 0.890 775 D CB -0.616 40.232 40.800 0.080 0.000 0.906 775 D HN 0.158 nan 8.370 nan 0.000 0.530 776 I N 0.950 121.548 120.570 0.046 0.000 2.567 776 I HA -0.200 3.969 4.170 -0.003 0.000 0.257 776 I C 1.846 177.974 176.117 0.017 0.000 1.184 776 I CA 1.269 62.583 61.300 0.022 0.000 1.451 776 I CB -0.112 37.896 38.000 0.012 0.000 1.089 776 I HN -0.022 nan 8.210 nan 0.000 0.441 777 T N -3.318 111.251 114.554 0.025 0.000 3.069 777 T HA 0.190 4.539 4.350 -0.003 0.000 0.252 777 T C 0.970 175.686 174.700 0.027 0.000 1.053 777 T CA 0.163 62.277 62.100 0.023 0.000 0.964 777 T CB -0.486 68.396 68.868 0.023 0.000 1.005 777 T HN 0.223 nan 8.240 nan 0.000 0.532 778 S N 0.906 116.623 115.700 0.029 0.000 2.568 778 S HA 0.207 4.675 4.470 -0.003 0.000 0.282 778 S C 1.022 175.646 174.600 0.040 0.000 1.338 778 S CA -0.512 57.706 58.200 0.031 0.000 1.045 778 S CB 0.592 63.809 63.200 0.029 0.000 0.873 778 S HN 0.366 nan 8.310 nan 0.000 0.516 779 R N 2.212 122.738 120.500 0.043 0.000 2.317 779 R HA 0.261 4.599 4.340 -0.003 0.000 0.208 779 R C 0.310 176.656 176.300 0.077 0.000 0.914 779 R CA 0.013 56.147 56.100 0.056 0.000 1.060 779 R CB -0.197 30.129 30.300 0.044 0.000 1.015 779 R HN 0.546 nan 8.270 nan 0.000 0.498 780 N N 0.602 119.343 118.700 0.069 0.000 2.420 780 N HA -0.055 4.683 4.740 -0.003 0.000 0.249 780 N C 0.415 175.992 175.510 0.111 0.000 1.033 780 N CA -0.068 53.034 53.050 0.086 0.000 0.944 780 N CB 0.430 38.948 38.487 0.052 0.000 1.113 780 N HN -0.035 nan 8.380 nan 0.000 0.502 781 F N 5.370 125.334 119.950 0.024 0.000 2.063 781 F HA -0.279 4.246 4.527 -0.003 0.000 0.298 781 F C 2.005 177.832 175.800 0.045 0.000 1.109 781 F CA 1.825 59.843 58.000 0.031 0.000 1.212 781 F CB -0.288 38.726 39.000 0.023 0.000 0.973 781 F HN 0.555 nan 8.300 nan 0.000 0.480 782 N N 0.351 119.039 118.700 -0.020 0.000 2.120 782 N HA -0.150 4.588 4.740 -0.003 0.000 0.188 782 N C 1.836 177.300 175.510 -0.077 0.000 1.024 782 N CA 1.783 54.774 53.050 -0.097 0.000 0.852 782 N CB -0.512 37.997 38.487 0.036 0.000 1.003 782 N HN 0.244 nan 8.380 nan 0.000 0.424 783 V N 0.908 120.805 119.914 -0.029 0.000 2.343 783 V HA -0.140 3.978 4.120 -0.003 0.000 0.247 783 V C 2.586 178.690 176.094 0.018 0.000 1.051 783 V CA 1.720 64.019 62.300 -0.001 0.000 1.036 783 V CB -0.523 31.301 31.823 0.001 0.000 0.654 783 V HN 0.357 nan 8.190 nan 0.000 0.451 784 R N -0.006 120.471 120.500 -0.038 0.000 2.075 784 R HA -0.134 4.204 4.340 -0.003 0.000 0.232 784 R C 2.499 178.742 176.300 -0.094 0.000 1.126 784 R CA 1.747 57.820 56.100 -0.044 0.000 0.963 784 R CB -0.287 29.987 30.300 -0.043 0.000 0.858 784 R HN 0.484 nan 8.270 nan 0.000 0.435 785 S N 0.387 115.939 115.700 -0.247 0.000 2.383 785 S HA -0.172 4.296 4.470 -0.003 0.000 0.229 785 S C 1.415 175.965 174.600 -0.085 0.000 1.030 785 S CA 1.421 59.459 58.200 -0.270 0.000 1.002 785 S CB -0.381 62.501 63.200 -0.530 0.000 0.829 785 S HN 0.385 nan 8.310 nan 0.000 0.467 786 F N 2.318 122.190 119.950 -0.129 0.000 2.102 786 F HA -0.100 4.425 4.527 -0.003 0.000 0.298 786 F C 2.343 178.120 175.800 -0.039 0.000 1.105 786 F CA 1.083 59.048 58.000 -0.059 0.000 1.239 786 F CB -0.614 38.364 39.000 -0.037 0.000 0.991 786 F HN 0.181 nan 8.300 nan 0.000 0.474 787 A N -0.004 122.905 122.820 0.149 0.000 1.933 787 A HA -0.217 4.101 4.320 -0.003 0.000 0.218 787 A C 2.086 179.642 177.584 -0.047 0.000 1.175 787 A CA 1.934 54.014 52.037 0.072 0.000 0.628 787 A CB -0.876 18.175 19.000 0.085 0.000 0.814 787 A HN 0.560 nan 8.150 nan 0.000 0.444 788 E N -0.652 119.508 120.200 -0.066 0.000 2.110 788 E HA -0.173 4.175 4.350 -0.003 0.000 0.193 788 E C 2.317 178.846 176.600 -0.118 0.000 0.988 788 E CA 0.958 57.306 56.400 -0.087 0.000 0.804 788 E CB -0.156 29.497 29.700 -0.079 0.000 0.745 788 E HN 0.519 nan 8.360 nan 0.000 0.458 789 R N -0.055 120.343 120.500 -0.170 0.000 2.092 789 R HA -0.052 4.286 4.340 -0.003 0.000 0.231 789 R C 2.246 178.418 176.300 -0.212 0.000 1.119 789 R CA 1.023 57.004 56.100 -0.198 0.000 0.970 789 R CB -0.033 30.095 30.300 -0.288 0.000 0.864 789 R HN 0.186 nan 8.270 nan 0.000 0.440 790 M N -0.333 119.110 119.600 -0.261 0.000 2.254 790 M HA -0.016 4.462 4.480 -0.003 0.000 0.265 790 M C 2.343 178.590 176.300 -0.088 0.000 1.066 790 M CA 1.116 56.308 55.300 -0.180 0.000 1.123 790 M CB -0.790 31.724 32.600 -0.143 0.000 1.388 790 M HN 0.133 nan 8.290 nan 0.000 0.425 791 A N 0.353 123.121 122.820 -0.086 0.000 1.930 791 A HA -0.130 4.189 4.320 -0.003 0.000 0.217 791 A C 2.233 179.771 177.584 -0.076 0.000 1.175 791 A CA 1.435 53.426 52.037 -0.077 0.000 0.627 791 A CB -0.467 18.473 19.000 -0.099 0.000 0.815 791 A HN 0.480 nan 8.150 nan 0.000 0.443 792 M N -0.894 118.656 119.600 -0.084 0.000 2.156 792 M HA -0.077 4.402 4.480 -0.003 0.000 0.264 792 M C 2.175 178.521 176.300 0.078 0.000 1.067 792 M CA 1.487 56.768 55.300 -0.031 0.000 1.131 792 M CB -0.469 32.113 32.600 -0.031 0.000 1.368 792 M HN 0.556 nan 8.290 nan 0.000 0.416 793 N N -0.110 118.590 118.700 -0.000 0.000 2.300 793 N HA -0.095 4.644 4.740 -0.003 0.000 0.179 793 N C 1.360 176.868 175.510 -0.004 0.000 1.016 793 N CA 1.393 54.435 53.050 -0.012 0.000 0.876 793 N CB 0.164 38.615 38.487 -0.060 0.000 0.979 793 N HN 0.239 nan 8.380 nan 0.000 0.432 794 T N 1.505 116.058 114.554 -0.002 0.000 2.746 794 T HA -0.037 4.312 4.350 -0.003 0.000 0.267 794 T C -0.998 173.714 174.700 0.019 0.000 1.039 794 T CA 1.035 63.138 62.100 0.005 0.000 1.142 794 T CB -0.962 67.908 68.868 0.003 0.000 0.866 794 T HN 0.362 nan 8.240 nan 0.000 0.444 795 P HA 0.062 nan 4.420 nan 0.000 0.220 795 P C 1.279 178.586 177.300 0.012 0.000 1.148 795 P CA 0.800 63.936 63.100 0.061 0.000 0.803 795 P CB -0.100 31.693 31.700 0.155 0.000 0.782 796 I N -1.247 119.324 120.570 0.001 0.000 2.188 796 I HA -0.200 3.968 4.170 -0.003 0.000 0.237 796 I C 2.444 178.516 176.117 -0.074 0.000 1.073 796 I CA 1.190 62.454 61.300 -0.060 0.000 1.359 796 I CB -0.691 37.267 38.000 -0.069 0.000 1.083 796 I HN -0.110 nan 8.210 nan 0.000 0.412 797 Q N 0.824 120.588 119.800 -0.059 0.000 2.084 797 Q HA -0.133 4.206 4.340 -0.003 0.000 0.202 797 Q C 2.285 178.267 176.000 -0.030 0.000 0.978 797 Q CA 1.900 57.672 55.803 -0.052 0.000 0.844 797 Q CB -0.802 27.919 28.738 -0.027 0.000 0.898 797 Q HN 0.615 nan 8.270 nan 0.000 0.426 798 G N 0.029 108.820 108.800 -0.016 0.000 2.402 798 G HA2 -0.202 3.756 3.960 -0.003 0.000 0.216 798 G HA3 -0.202 3.756 3.960 -0.003 0.000 0.216 798 G C 1.667 176.555 174.900 -0.020 0.000 1.162 798 G CA 0.964 46.061 45.100 -0.005 0.000 0.777 798 G HN 0.321 nan 8.290 nan 0.000 0.539 799 S N 0.929 116.606 115.700 -0.037 0.000 2.383 799 S HA 0.052 4.521 4.470 -0.003 0.000 0.227 799 S C 2.745 177.284 174.600 -0.102 0.000 1.026 799 S CA 1.024 59.188 58.200 -0.061 0.000 0.981 799 S CB -0.254 62.906 63.200 -0.065 0.000 0.818 799 S HN 0.564 nan 8.310 nan 0.000 0.472 800 A N 1.466 124.218 122.820 -0.114 0.000 1.930 800 A HA 0.158 4.476 4.320 -0.003 0.000 0.217 800 A C 2.306 179.830 177.584 -0.100 0.000 1.175 800 A CA 1.568 53.511 52.037 -0.157 0.000 0.627 800 A CB -0.899 18.015 19.000 -0.143 0.000 0.815 800 A HN 0.500 nan 8.150 nan 0.000 0.443 801 A N 0.157 122.955 122.820 -0.036 0.000 1.898 801 A HA -0.144 4.174 4.320 -0.003 0.000 0.216 801 A C 1.765 179.349 177.584 0.001 0.000 1.181 801 A CA 1.752 53.798 52.037 0.015 0.000 0.620 801 A CB -0.542 18.487 19.000 0.048 0.000 0.819 801 A HN 0.440 nan 8.150 nan 0.000 0.442 802 D N 0.270 120.658 120.400 -0.020 0.000 2.104 802 D HA -0.152 4.486 4.640 -0.003 0.000 0.194 802 D C 1.868 178.143 176.300 -0.042 0.000 0.994 802 D CA 1.366 55.351 54.000 -0.025 0.000 0.830 802 D CB -0.399 40.379 40.800 -0.037 0.000 0.959 802 D HN 0.531 nan 8.370 nan 0.000 0.452 803 I N 0.726 121.245 120.570 -0.084 0.000 2.142 803 I HA -0.218 3.951 4.170 -0.003 0.000 0.240 803 I C 2.591 178.692 176.117 -0.027 0.000 1.078 803 I CA 0.724 61.962 61.300 -0.103 0.000 1.343 803 I CB -0.143 37.716 38.000 -0.235 0.000 1.046 803 I HN -0.043 nan 8.210 nan 0.000 0.405 804 I N 0.749 121.316 120.570 -0.006 0.000 2.454 804 I HA -0.292 3.876 4.170 -0.003 0.000 0.254 804 I C 2.431 178.595 176.117 0.078 0.000 1.156 804 I CA 1.514 62.900 61.300 0.144 0.000 1.433 804 I CB -0.098 38.023 38.000 0.201 0.000 1.082 804 I HN 0.175 nan 8.210 nan 0.000 0.432 805 K N 0.544 120.963 120.400 0.032 0.000 2.057 805 K HA -0.237 4.081 4.320 -0.003 0.000 0.206 805 K C 2.165 178.769 176.600 0.006 0.000 1.050 805 K CA 1.459 57.753 56.287 0.012 0.000 0.935 805 K CB -0.123 32.384 32.500 0.011 0.000 0.715 805 K HN 0.238 nan 8.250 nan 0.000 0.439 806 K N 0.810 121.212 120.400 0.004 0.000 2.148 806 K HA -0.080 4.238 4.320 -0.003 0.000 0.204 806 K C 2.035 178.640 176.600 0.009 0.000 1.050 806 K CA 1.052 57.337 56.287 -0.003 0.000 0.942 806 K CB -0.033 32.458 32.500 -0.016 0.000 0.724 806 K HN 0.101 nan 8.250 nan 0.000 0.446 807 A N 1.244 124.087 122.820 0.039 0.000 1.933 807 A HA -0.174 4.144 4.320 -0.003 0.000 0.218 807 A C 2.103 179.697 177.584 0.017 0.000 1.175 807 A CA 1.701 53.769 52.037 0.052 0.000 0.628 807 A CB -0.462 18.618 19.000 0.135 0.000 0.814 807 A HN 0.350 nan 8.150 nan 0.000 0.444 808 M N -0.739 118.868 119.600 0.012 0.000 2.086 808 M HA -0.099 4.379 4.480 -0.003 0.000 0.261 808 M C 2.098 178.388 176.300 -0.018 0.000 1.067 808 M CA 1.598 56.892 55.300 -0.010 0.000 1.116 808 M CB -0.534 32.052 32.600 -0.024 0.000 1.348 808 M HN 0.395 nan 8.290 nan 0.000 0.407 809 I N 0.184 120.744 120.570 -0.016 0.000 2.179 809 I HA -0.309 3.859 4.170 -0.003 0.000 0.242 809 I C 1.912 178.016 176.117 -0.022 0.000 1.088 809 I CA 1.212 62.500 61.300 -0.020 0.000 1.357 809 I CB -0.649 37.339 38.000 -0.020 0.000 1.051 809 I HN 0.256 nan 8.210 nan 0.000 0.409 810 D N 0.748 121.136 120.400 -0.020 0.000 2.123 810 D HA -0.185 4.453 4.640 -0.003 0.000 0.196 810 D C 2.006 178.286 176.300 -0.033 0.000 0.992 810 D CA 1.166 55.151 54.000 -0.025 0.000 0.833 810 D CB -0.375 40.413 40.800 -0.019 0.000 0.954 810 D HN 0.176 nan 8.370 nan 0.000 0.455 811 L N 1.158 122.360 121.223 -0.034 0.000 2.017 811 L HA -0.144 4.194 4.340 -0.003 0.000 0.208 811 L C 1.577 178.417 176.870 -0.049 0.000 1.073 811 L CA 1.739 56.549 54.840 -0.050 0.000 0.745 811 L CB -0.780 41.249 42.059 -0.050 0.000 0.894 811 L HN -0.133 nan 8.230 nan 0.000 0.432 812 N N -0.116 118.562 118.700 -0.035 0.000 2.223 812 N HA -0.110 4.628 4.740 -0.003 0.000 0.185 812 N C 1.791 177.281 175.510 -0.033 0.000 1.016 812 N CA 1.411 54.444 53.050 -0.029 0.000 0.863 812 N CB -0.381 38.095 38.487 -0.019 0.000 0.983 812 N HN 0.559 nan 8.380 nan 0.000 0.429 813 A N 0.699 123.498 122.820 -0.035 0.000 1.930 813 A HA -0.069 4.249 4.320 -0.003 0.000 0.217 813 A C 2.155 179.714 177.584 -0.042 0.000 1.175 813 A CA 1.013 53.029 52.037 -0.035 0.000 0.627 813 A CB -0.170 18.811 19.000 -0.033 0.000 0.815 813 A HN 0.090 nan 8.150 nan 0.000 0.443 814 R N -0.291 120.179 120.500 -0.051 0.000 2.075 814 R HA 0.023 4.361 4.340 -0.003 0.000 0.232 814 R C 2.065 178.322 176.300 -0.072 0.000 1.126 814 R CA 1.092 57.154 56.100 -0.062 0.000 0.963 814 R CB -0.987 29.270 30.300 -0.072 0.000 0.858 814 R HN 0.586 nan 8.270 nan 0.000 0.435 815 L N 0.717 121.895 121.223 -0.074 0.000 2.083 815 L HA -0.160 4.178 4.340 -0.003 0.000 0.209 815 L C 2.678 179.512 176.870 -0.061 0.000 1.083 815 L CA 1.396 56.187 54.840 -0.082 0.000 0.752 815 L CB -0.419 41.596 42.059 -0.074 0.000 0.899 815 L HN 0.171 nan 8.230 nan 0.000 0.433 816 K N 0.527 120.900 120.400 -0.045 0.000 2.025 816 K HA -0.174 4.144 4.320 -0.003 0.000 0.207 816 K C 1.927 178.504 176.600 -0.039 0.000 1.049 816 K CA 1.310 57.576 56.287 -0.035 0.000 0.933 816 K CB 0.052 32.535 32.500 -0.028 0.000 0.714 816 K HN 0.306 nan 8.250 nan 0.000 0.438 817 E N 0.294 120.468 120.200 -0.043 0.000 2.118 817 E HA -0.175 4.173 4.350 -0.003 0.000 0.195 817 E C 1.579 178.150 176.600 -0.049 0.000 0.992 817 E CA 0.980 57.354 56.400 -0.043 0.000 0.804 817 E CB 0.090 29.764 29.700 -0.044 0.000 0.741 817 E HN 0.302 nan 8.360 nan 0.000 0.458 818 E N 0.305 120.469 120.200 -0.060 0.000 2.502 818 E HA 0.004 4.352 4.350 -0.003 0.000 0.194 818 E C 0.044 176.603 176.600 -0.068 0.000 1.062 818 E CA 0.072 56.430 56.400 -0.070 0.000 0.867 818 E CB 0.181 29.826 29.700 -0.091 0.000 0.888 818 E HN 0.048 nan 8.360 nan 0.000 0.510 819 R N -0.145 120.321 120.500 -0.057 0.000 3.516 819 R HA -0.171 4.168 4.340 -0.003 0.000 0.271 819 R C -0.388 175.874 176.300 -0.064 0.000 1.098 819 R CA 0.256 56.327 56.100 -0.048 0.000 0.732 819 R CB -2.555 27.722 30.300 -0.039 0.000 1.152 819 R HN 0.154 nan 8.270 nan 0.000 0.455 820 L N 0.074 121.245 121.223 -0.086 0.000 2.395 820 L HA 0.109 4.447 4.340 -0.003 0.000 0.269 820 L C 1.776 178.582 176.870 -0.107 0.000 1.133 820 L CA -0.084 54.679 54.840 -0.128 0.000 0.812 820 L CB 0.858 42.814 42.059 -0.172 0.000 1.125 820 L HN 0.280 nan 8.230 nan 0.000 0.452 821 Q N 1.768 121.476 119.800 -0.153 0.000 2.432 821 Q HA 0.112 4.451 4.340 -0.003 0.000 0.205 821 Q C 0.578 176.480 176.000 -0.164 0.000 0.945 821 Q CA -0.041 55.709 55.803 -0.088 0.000 0.924 821 Q CB 0.314 28.996 28.738 -0.094 0.000 1.016 821 Q HN 0.778 nan 8.270 nan 0.000 0.503 822 A N 2.294 124.926 122.820 -0.315 0.000 2.520 822 A HA 0.060 4.378 4.320 -0.003 0.000 0.235 822 A C -0.138 177.363 177.584 -0.138 0.000 1.065 822 A CA 0.283 52.102 52.037 -0.363 0.000 0.764 822 A CB -0.089 18.694 19.000 -0.361 0.000 1.002 822 A HN 0.422 nan 8.150 nan 0.000 0.502 823 H N 0.028 119.092 119.070 -0.011 0.000 3.046 823 H HA 0.505 5.060 4.556 -0.003 0.000 0.361 823 H C -1.433 173.910 175.328 0.026 0.000 1.235 823 H CA -1.159 54.902 56.048 0.022 0.000 1.146 823 H CB 0.602 30.411 29.762 0.078 0.000 1.859 823 H HN 0.497 nan 8.280 nan 0.000 0.548 824 L N 2.148 123.490 121.223 0.198 0.000 2.456 824 L HA 0.016 4.355 4.340 -0.003 0.000 0.272 824 L C 0.974 177.951 176.870 0.179 0.000 1.189 824 L CA -0.099 54.815 54.840 0.123 0.000 0.846 824 L CB 0.604 42.697 42.059 0.056 0.000 1.111 824 L HN 0.585 nan 8.230 nan 0.000 0.475 825 L N 3.450 124.743 121.223 0.117 0.000 2.586 825 L HA 0.346 4.684 4.340 -0.003 0.000 0.204 825 L C -0.021 176.914 176.870 0.107 0.000 1.053 825 L CA 0.244 55.149 54.840 0.108 0.000 0.856 825 L CB 0.466 42.547 42.059 0.036 0.000 1.192 825 L HN 0.430 nan 8.230 nan 0.000 0.484 826 L N -0.820 120.423 121.223 0.035 0.000 2.479 826 L HA 0.470 4.808 4.340 -0.003 0.000 0.255 826 L C -1.142 175.715 176.870 -0.022 0.000 1.026 826 L CA -0.548 54.345 54.840 0.089 0.000 0.842 826 L CB 2.332 44.393 42.059 0.003 0.000 1.444 826 L HN -0.099 nan 8.230 nan 0.000 0.409 827 Q N 1.230 120.988 119.800 -0.070 0.000 2.323 827 Q HA 0.505 4.843 4.340 -0.003 0.000 0.271 827 Q C -1.856 174.104 176.000 -0.066 0.000 1.048 827 Q CA -0.434 55.304 55.803 -0.109 0.000 0.792 827 Q CB 2.784 31.379 28.738 -0.238 0.000 1.280 827 Q HN 0.516 nan 8.270 nan 0.000 0.441 828 V N 6.173 126.058 119.914 -0.049 0.000 2.454 828 V HA 0.229 4.347 4.120 -0.003 0.000 0.255 828 V C 0.157 176.155 176.094 -0.158 0.000 1.009 828 V CA -0.322 61.876 62.300 -0.169 0.000 1.149 828 V CB -0.208 31.634 31.823 0.032 0.000 1.418 828 V HN 0.931 nan 8.190 nan 0.000 0.567 829 H N 1.703 120.851 119.070 0.130 0.000 4.905 829 H HA -0.213 4.341 4.556 -0.003 0.000 0.065 829 H C 1.299 176.705 175.328 0.130 0.000 0.584 829 H CA 2.259 58.381 56.048 0.122 0.000 0.984 829 H CB -0.922 28.923 29.762 0.138 0.000 0.446 829 H HN 0.826 nan 8.280 nan 0.000 0.786 830 D N 1.688 122.250 120.400 0.271 0.000 2.563 830 D HA 0.190 4.828 4.640 -0.003 0.000 0.237 830 D C 0.339 176.807 176.300 0.281 0.000 1.282 830 D CA 0.563 54.740 54.000 0.294 0.000 0.816 830 D CB 0.513 41.461 40.800 0.248 0.000 1.066 830 D HN 0.757 nan 8.370 nan 0.000 0.501 831 E N 0.006 120.313 120.200 0.178 0.000 2.390 831 E HA 0.553 4.902 4.350 -0.003 0.000 0.277 831 E C -1.420 175.224 176.600 0.073 0.000 0.939 831 E CA -1.061 55.405 56.400 0.109 0.000 0.769 831 E CB 1.722 31.496 29.700 0.123 0.000 1.251 831 E HN -0.037 nan 8.360 nan 0.000 0.450 832 L N 2.353 123.606 121.223 0.050 0.000 2.341 832 L HA 0.535 4.873 4.340 -0.003 0.000 0.278 832 L C -0.709 176.199 176.870 0.063 0.000 1.005 832 L CA -1.299 53.564 54.840 0.038 0.000 0.818 832 L CB 1.505 43.579 42.059 0.024 0.000 1.259 832 L HN 0.541 nan 8.230 nan 0.000 0.418 833 I N 4.288 124.868 120.570 0.017 0.000 2.378 833 I HA 0.521 4.689 4.170 -0.003 0.000 0.291 833 I C -0.226 175.893 176.117 0.004 0.000 0.992 833 I CA -0.384 60.903 61.300 -0.022 0.000 1.154 833 I CB 1.579 39.434 38.000 -0.240 0.000 1.315 833 I HN 0.409 nan 8.210 nan 0.000 0.448 834 L N 5.456 126.723 121.223 0.072 0.000 2.257 834 L HA 0.619 4.957 4.340 -0.003 0.000 0.257 834 L C -0.091 176.810 176.870 0.052 0.000 1.033 834 L CA -0.558 54.314 54.840 0.054 0.000 0.835 834 L CB 1.698 43.767 42.059 0.016 0.000 1.398 834 L HN 0.670 nan 8.230 nan 0.000 0.429 835 E N 0.257 120.446 120.200 -0.018 0.000 2.340 835 E HA 0.925 5.273 4.350 -0.003 0.000 0.273 835 E C -1.575 174.921 176.600 -0.173 0.000 0.891 835 E CA -1.081 55.338 56.400 0.031 0.000 0.757 835 E CB 2.612 32.413 29.700 0.169 0.000 1.231 835 E HN 0.740 nan 8.360 nan 0.000 0.439 836 A N 2.112 124.772 122.820 -0.267 0.000 2.566 836 A HA 0.603 4.921 4.320 -0.003 0.000 0.290 836 A C -2.990 173.911 177.584 -1.138 0.000 1.071 836 A CA -1.378 50.096 52.037 -0.939 0.000 0.658 836 A CB 1.129 19.738 19.000 -0.653 0.000 1.285 836 A HN 0.500 nan 8.150 nan 0.000 0.427 837 P HA 0.086 nan 4.420 nan 0.000 0.267 837 P C 0.492 177.501 177.300 -0.486 0.000 1.200 837 P CA 0.138 62.591 63.100 -1.078 0.000 0.772 837 P CB 0.528 31.777 31.700 -0.751 0.000 0.855 838 K N 1.948 122.207 120.400 -0.235 0.000 2.211 838 K HA -0.198 4.120 4.320 -0.003 0.000 0.204 838 K C 0.820 177.315 176.600 -0.175 0.000 1.047 838 K CA 1.721 57.924 56.287 -0.140 0.000 0.935 838 K CB -0.421 32.067 32.500 -0.020 0.000 0.728 838 K HN 0.257 nan 8.250 nan 0.000 0.452 839 E N 1.278 121.371 120.200 -0.178 0.000 2.472 839 E HA -0.087 4.261 4.350 -0.003 0.000 0.200 839 E C 0.903 177.380 176.600 -0.204 0.000 1.046 839 E CA 0.888 57.194 56.400 -0.157 0.000 0.871 839 E CB 0.137 29.763 29.700 -0.125 0.000 0.806 839 E HN 0.511 nan 8.360 nan 0.000 0.533 840 E N -0.572 119.457 120.200 -0.285 0.000 2.481 840 E HA 0.076 4.424 4.350 -0.003 0.000 0.198 840 E C 1.263 177.654 176.600 -0.348 0.000 1.027 840 E CA -0.175 56.038 56.400 -0.312 0.000 0.900 840 E CB 0.210 29.683 29.700 -0.379 0.000 0.993 840 E HN 0.196 nan 8.360 nan 0.000 0.482 841 M N 0.839 120.220 119.600 -0.365 0.000 2.065 841 M HA -0.187 4.291 4.480 -0.003 0.000 0.259 841 M C 1.855 177.957 176.300 -0.331 0.000 1.069 841 M CA 1.710 56.731 55.300 -0.465 0.000 1.110 841 M CB -0.875 31.271 32.600 -0.756 0.000 1.328 841 M HN 0.141 nan 8.290 nan 0.000 0.405 842 E N -0.478 119.590 120.200 -0.219 0.000 2.085 842 E HA -0.191 4.158 4.350 -0.003 0.000 0.194 842 E C 2.238 178.748 176.600 -0.150 0.000 0.994 842 E CA 0.944 57.273 56.400 -0.118 0.000 0.801 842 E CB -0.156 29.502 29.700 -0.070 0.000 0.743 842 E HN 0.471 nan 8.360 nan 0.000 0.453 843 R N 0.376 120.759 120.500 -0.195 0.000 2.092 843 R HA -0.052 4.287 4.340 -0.003 0.000 0.231 843 R C 2.496 178.625 176.300 -0.285 0.000 1.119 843 R CA 0.706 56.682 56.100 -0.207 0.000 0.970 843 R CB -0.242 29.940 30.300 -0.198 0.000 0.864 843 R HN 0.221 nan 8.270 nan 0.000 0.440 844 L N -0.182 120.796 121.223 -0.409 0.000 2.141 844 L HA -0.202 4.136 4.340 -0.003 0.000 0.209 844 L C 2.545 179.070 176.870 -0.574 0.000 1.094 844 L CA 0.808 55.259 54.840 -0.648 0.000 0.763 844 L CB -0.469 40.923 42.059 -1.111 0.000 0.908 844 L HN 0.282 nan 8.230 nan 0.000 0.437 845 C N -0.271 118.842 119.300 -0.312 0.000 2.411 845 C HA -0.160 4.298 4.460 -0.003 0.000 0.279 845 C C 2.930 177.648 174.990 -0.453 0.000 1.288 845 C CA 0.940 59.785 59.018 -0.288 0.000 1.764 845 C CB -1.001 26.726 27.740 -0.021 0.000 1.974 845 C HN 0.443 nan 8.230 nan 0.000 0.498 846 R N -0.822 119.514 120.500 -0.274 0.000 2.105 846 R HA 0.084 4.422 4.340 -0.003 0.000 0.214 846 R C 2.062 178.244 176.300 -0.198 0.000 1.091 846 R CA 0.472 56.450 56.100 -0.203 0.000 1.007 846 R CB -0.438 29.785 30.300 -0.128 0.000 0.912 846 R HN 0.350 nan 8.270 nan 0.000 0.450 847 L N 0.835 121.926 121.223 -0.220 0.000 2.005 847 L HA -0.113 4.226 4.340 -0.003 0.000 0.207 847 L C 1.963 178.720 176.870 -0.190 0.000 1.072 847 L CA 1.660 56.383 54.840 -0.194 0.000 0.744 847 L CB -0.398 41.535 42.059 -0.210 0.000 0.895 847 L HN -0.104 nan 8.230 nan 0.000 0.433 848 V N 0.465 120.232 119.914 -0.245 0.000 2.255 848 V HA -0.202 3.916 4.120 -0.003 0.000 0.247 848 V C -0.005 176.022 176.094 -0.112 0.000 1.051 848 V CA 2.357 64.554 62.300 -0.171 0.000 1.018 848 V CB -2.054 29.679 31.823 -0.150 0.000 0.641 848 V HN 0.360 nan 8.190 nan 0.000 0.445 849 P HA -0.164 nan 4.420 nan 0.000 0.215 849 P C 1.660 178.919 177.300 -0.068 0.000 1.153 849 P CA 1.535 64.585 63.100 -0.084 0.000 0.853 849 P CB 0.064 31.716 31.700 -0.081 0.000 0.788 850 E N -0.149 120.006 120.200 -0.076 0.000 2.058 850 E HA -0.152 4.196 4.350 -0.003 0.000 0.194 850 E C 1.846 178.422 176.600 -0.040 0.000 0.997 850 E CA 1.375 57.745 56.400 -0.050 0.000 0.801 850 E CB -1.269 28.394 29.700 -0.061 0.000 0.746 850 E HN -0.095 nan 8.360 nan 0.000 0.450 851 V N 0.561 120.441 119.914 -0.057 0.000 2.287 851 V HA -0.303 3.816 4.120 -0.003 0.000 0.248 851 V C 2.515 178.601 176.094 -0.013 0.000 1.053 851 V CA 2.271 64.546 62.300 -0.042 0.000 1.027 851 V CB -0.520 31.267 31.823 -0.059 0.000 0.646 851 V HN 0.360 nan 8.190 nan 0.000 0.447 852 M N -0.698 118.881 119.600 -0.036 0.000 2.175 852 M HA -0.181 4.297 4.480 -0.003 0.000 0.264 852 M C 2.163 178.540 176.300 0.127 0.000 1.063 852 M CA 1.791 57.084 55.300 -0.012 0.000 1.119 852 M CB -0.443 31.983 32.600 -0.288 0.000 1.377 852 M HN 0.370 nan 8.290 nan 0.000 0.415 853 E N -0.271 119.966 120.200 0.061 0.000 2.208 853 E HA -0.143 4.205 4.350 -0.003 0.000 0.193 853 E C 1.716 178.354 176.600 0.065 0.000 0.988 853 E CA 0.659 57.121 56.400 0.104 0.000 0.828 853 E CB 0.103 29.834 29.700 0.051 0.000 0.763 853 E HN 0.457 nan 8.360 nan 0.000 0.478 854 Q N -0.508 119.312 119.800 0.033 0.000 2.319 854 Q HA 0.201 4.539 4.340 -0.003 0.000 0.202 854 Q C 1.753 177.755 176.000 0.005 0.000 0.896 854 Q CA 0.311 56.120 55.803 0.009 0.000 0.942 854 Q CB 0.658 29.393 28.738 -0.005 0.000 1.083 854 Q HN 0.192 nan 8.270 nan 0.000 0.510 855 A N 0.417 123.253 122.820 0.027 0.000 1.927 855 A HA -0.073 4.245 4.320 -0.003 0.000 0.220 855 A C 1.202 178.773 177.584 -0.021 0.000 1.185 855 A CA 1.395 53.440 52.037 0.013 0.000 0.639 855 A CB 0.108 19.140 19.000 0.052 0.000 0.820 855 A HN 0.166 nan 8.150 nan 0.000 0.451 856 V N -2.605 117.285 119.914 -0.040 0.000 3.130 856 V HA 0.478 4.596 4.120 -0.003 0.000 0.310 856 V C -0.595 175.450 176.094 -0.082 0.000 1.158 856 V CA -0.627 61.627 62.300 -0.076 0.000 1.029 856 V CB 2.178 33.928 31.823 -0.122 0.000 1.057 856 V HN 0.132 nan 8.190 nan 0.000 0.436 857 T N 3.660 118.159 114.554 -0.092 0.000 2.791 857 T HA 0.680 5.028 4.350 -0.003 0.000 0.288 857 T C -0.488 174.136 174.700 -0.127 0.000 0.999 857 T CA -0.157 61.896 62.100 -0.078 0.000 0.952 857 T CB 0.451 69.297 68.868 -0.036 0.000 0.938 857 T HN 0.340 nan 8.240 nan 0.000 0.444 858 L N 2.154 123.284 121.223 -0.155 0.000 2.335 858 L HA 0.569 4.907 4.340 -0.003 0.000 0.268 858 L C 1.692 178.597 176.870 0.058 0.000 1.016 858 L CA -1.219 53.484 54.840 -0.228 0.000 0.805 858 L CB 1.152 42.980 42.059 -0.384 0.000 1.311 858 L HN 0.500 nan 8.230 nan 0.000 0.456 859 R N -0.081 120.614 120.500 0.326 0.000 2.285 859 R HA 0.010 4.348 4.340 -0.003 0.000 0.213 859 R C -0.096 176.269 176.300 0.107 0.000 1.068 859 R CA 0.436 56.649 56.100 0.189 0.000 1.004 859 R CB -0.191 30.201 30.300 0.153 0.000 0.873 859 R HN 0.515 nan 8.270 nan 0.000 0.467 860 V N -2.797 117.163 119.914 0.078 0.000 3.040 860 V HA 0.580 4.698 4.120 -0.003 0.000 0.312 860 V C -2.815 173.277 176.094 -0.003 0.000 1.115 860 V CA -3.235 59.094 62.300 0.049 0.000 0.998 860 V CB 2.257 34.114 31.823 0.057 0.000 1.042 860 V HN -0.205 nan 8.190 nan 0.000 0.433 861 P HA 0.458 nan 4.420 nan 0.000 0.272 861 P C -0.922 176.355 177.300 -0.038 0.000 1.230 861 P CA -0.280 62.820 63.100 0.001 0.000 0.788 861 P CB 0.491 32.211 31.700 0.032 0.000 0.949 862 L N 1.521 122.736 121.223 -0.014 0.000 2.325 862 L HA 0.508 4.846 4.340 -0.003 0.000 0.278 862 L C 0.422 177.332 176.870 0.067 0.000 1.023 862 L CA -0.608 54.237 54.840 0.008 0.000 0.811 862 L CB 1.439 43.529 42.059 0.052 0.000 1.249 862 L HN 0.289 nan 8.230 nan 0.000 0.431 863 K N 2.418 122.874 120.400 0.093 0.000 2.397 863 K HA 0.670 4.988 4.320 -0.003 0.000 0.253 863 K C -1.754 174.909 176.600 0.105 0.000 0.932 863 K CA -0.560 55.781 56.287 0.089 0.000 0.795 863 K CB 2.242 34.787 32.500 0.074 0.000 1.159 863 K HN 0.326 nan 8.250 nan 0.000 0.424 864 V N 3.834 123.783 119.914 0.058 0.000 2.531 864 V HA 0.279 4.397 4.120 -0.003 0.000 0.301 864 V C -0.722 175.418 176.094 0.077 0.000 1.034 864 V CA -0.933 61.368 62.300 0.002 0.000 0.865 864 V CB 1.790 33.543 31.823 -0.117 0.000 0.995 864 V HN 0.828 nan 8.190 nan 0.000 0.424 865 D N 3.117 123.538 120.400 0.035 0.000 2.277 865 D HA 0.641 5.279 4.640 -0.003 0.000 0.250 865 D C -0.902 175.367 176.300 -0.051 0.000 1.032 865 D CA 0.156 54.117 54.000 -0.066 0.000 0.947 865 D CB 2.156 42.911 40.800 -0.075 0.000 1.159 865 D HN 0.600 nan 8.370 nan 0.000 0.460 866 Y N -2.088 117.975 120.300 -0.394 0.000 2.581 866 Y HA 0.660 5.208 4.550 -0.003 0.000 0.337 866 Y C -1.246 174.118 175.900 -0.892 0.000 1.108 866 Y CA -1.045 56.754 58.100 -0.502 0.000 1.033 866 Y CB 1.184 39.433 38.460 -0.353 0.000 1.318 866 Y HN 0.348 nan 8.280 nan 0.000 0.459 867 H N 0.331 119.224 119.070 -0.295 0.000 3.017 867 H HA 0.658 5.212 4.556 -0.003 0.000 0.346 867 H C -1.762 173.430 175.328 -0.227 0.000 1.286 867 H CA -1.057 54.835 56.048 -0.261 0.000 1.120 867 H CB 2.364 31.991 29.762 -0.225 0.000 1.860 867 H HN 0.795 nan 8.280 nan 0.000 0.542 868 Y N -1.259 119.032 120.300 -0.015 0.000 2.581 868 Y HA 0.829 5.377 4.550 -0.003 0.000 0.337 868 Y C -0.450 175.505 175.900 0.092 0.000 1.108 868 Y CA -0.754 57.367 58.100 0.035 0.000 1.033 868 Y CB 1.253 39.791 38.460 0.130 0.000 1.318 868 Y HN 0.993 nan 8.280 nan 0.000 0.459 869 G N -0.028 108.945 108.800 0.289 0.000 2.489 869 G HA2 0.386 4.344 3.960 -0.003 0.000 0.305 869 G HA3 0.386 4.344 3.960 -0.003 0.000 0.305 869 G C -0.299 174.741 174.900 0.234 0.000 1.311 869 G CA -0.503 44.718 45.100 0.202 0.000 0.813 869 G HN 1.216 nan 8.290 nan 0.000 0.480 870 S N -1.597 114.217 115.700 0.190 0.000 2.481 870 S HA 0.234 4.702 4.470 -0.003 0.000 0.231 870 S C 1.164 175.878 174.600 0.191 0.000 0.996 870 S CA 1.660 59.967 58.200 0.178 0.000 0.942 870 S CB -0.399 62.885 63.200 0.139 0.000 0.768 870 S HN 1.749 nan 8.310 nan 0.000 0.520 871 T N -4.557 110.131 114.554 0.224 0.000 2.841 871 T HA 0.398 4.746 4.350 -0.003 0.000 0.296 871 T C -0.063 174.857 174.700 0.367 0.000 1.166 871 T CA -0.733 61.534 62.100 0.278 0.000 1.007 871 T CB 0.564 69.588 68.868 0.260 0.000 1.253 871 T HN 0.144 nan 8.240 nan 0.000 0.511 872 W N 0.583 121.998 121.300 0.193 0.000 2.338 872 W HA -0.104 4.554 4.660 -0.003 0.000 0.304 872 W C 1.938 178.523 176.519 0.109 0.000 1.212 872 W CA 1.177 58.602 57.345 0.134 0.000 1.264 872 W CB -1.145 28.380 29.460 0.109 0.000 1.142 872 W HN 0.907 nan 8.180 nan 0.000 0.512 873 Y N 1.671 122.071 120.300 0.167 0.000 2.207 873 Y HA -0.263 4.285 4.550 -0.003 0.000 0.287 873 Y C 2.100 178.000 175.900 0.000 0.000 1.156 873 Y CA 2.627 60.718 58.100 -0.016 0.000 1.182 873 Y CB -0.610 37.846 38.460 -0.007 0.000 0.979 873 Y HN -0.142 nan 8.280 nan 0.000 0.521 874 D N 0.192 120.732 120.400 0.233 0.000 2.277 874 D HA -0.001 4.637 4.640 -0.003 0.000 0.208 874 D C 1.226 177.531 176.300 0.008 0.000 0.962 874 D CA 1.033 55.098 54.000 0.108 0.000 0.865 874 D CB -0.269 40.633 40.800 0.171 0.000 0.939 874 D HN 0.379 nan 8.370 nan 0.000 0.510 875 A N 1.765 124.636 122.820 0.084 0.000 2.810 875 A HA -0.013 4.305 4.320 -0.003 0.000 0.247 875 A C 0.744 178.293 177.584 -0.058 0.000 1.576 875 A CA -0.211 51.874 52.037 0.081 0.000 1.294 875 A CB -0.356 18.769 19.000 0.209 0.000 0.976 875 A HN -0.152 nan 8.150 nan 0.000 0.631 876 K N 0.000 120.257 120.400 -0.238 0.000 2.780 876 K HA 0.000 4.318 4.320 -0.003 0.000 0.191 876 K CA 0.000 55.995 56.287 -0.486 0.000 0.838 876 K CB 0.000 32.171 32.500 -0.549 0.000 1.064 876 K HN 0.000 nan 8.250 nan 0.000 0.543