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 1nk9_1_A DATA FIRST_RESID 297 DATA SEQUENCE AKMAFTLADR 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 0.000 177.587 177.584 0.004 0.000 1.274 297 A CA 0.000 52.033 52.037 -0.006 0.000 0.836 297 A CB 0.000 18.994 19.000 -0.010 0.000 0.831 298 K N 0.224 120.629 120.400 0.008 0.000 2.402 298 K HA 0.509 4.827 4.320 -0.003 0.000 0.265 298 K C 0.298 176.925 176.600 0.045 0.000 0.978 298 K CA 1.116 57.422 56.287 0.032 0.000 0.913 298 K CB -0.003 32.513 32.500 0.026 0.000 0.954 298 K HN 1.578 nan 8.250 nan 0.000 0.511 299 M N 1.549 121.209 119.600 0.100 0.000 2.264 299 M HA 0.537 5.015 4.480 -0.003 0.000 0.352 299 M C 0.241 176.638 176.300 0.162 0.000 1.173 299 M CA -0.518 54.855 55.300 0.121 0.000 1.075 299 M CB 1.469 34.154 32.600 0.142 0.000 1.621 299 M HN 0.810 nan 8.290 nan 0.000 0.457 300 A N 5.054 127.915 122.820 0.068 0.000 2.440 300 A HA 0.601 4.919 4.320 -0.003 0.000 0.251 300 A C -0.857 176.773 177.584 0.077 0.000 1.089 300 A CA -0.125 51.898 52.037 -0.023 0.000 0.779 300 A CB -0.286 18.682 19.000 -0.054 0.000 1.022 300 A HN 0.908 nan 8.150 nan 0.000 0.492 301 F N -1.276 118.616 119.950 -0.098 0.000 2.744 301 F HA 0.580 5.104 4.527 -0.005 0.000 0.311 301 F C -0.665 175.073 175.800 -0.104 0.000 1.144 301 F CA -0.820 57.096 58.000 -0.140 0.000 0.938 301 F CB 0.766 39.712 39.000 -0.090 0.000 1.292 301 F HN 0.302 nan 8.300 nan 0.000 0.444 302 T N 3.150 117.760 114.554 0.094 0.000 2.744 302 T HA 0.408 4.756 4.350 -0.003 0.000 0.291 302 T C -0.422 174.497 174.700 0.366 0.000 0.957 302 T CA -0.302 61.861 62.100 0.105 0.000 1.002 302 T CB 1.023 69.959 68.868 0.112 0.000 0.919 302 T HN 0.767 nan 8.240 nan 0.000 0.468 303 L N 4.055 125.444 121.223 0.277 0.000 2.389 303 L HA 0.521 4.859 4.340 -0.003 0.000 0.265 303 L C 0.650 177.675 176.870 0.259 0.000 1.167 303 L CA -0.578 54.508 54.840 0.410 0.000 1.045 303 L CB -0.427 41.822 42.059 0.317 0.000 1.351 303 L HN 0.731 nan 8.230 nan 0.000 0.419 304 A N 2.483 125.450 122.820 0.244 0.000 2.462 304 A HA 0.126 4.444 4.320 -0.003 0.000 0.243 304 A C 0.596 178.219 177.584 0.066 0.000 1.076 304 A CA -0.254 51.861 52.037 0.130 0.000 0.773 304 A CB 0.228 19.288 19.000 0.100 0.000 1.010 304 A HN 0.726 nan 8.150 nan 0.000 0.493 305 D N 0.197 120.617 120.400 0.033 0.000 2.367 305 D HA 0.085 4.723 4.640 -0.003 0.000 0.207 305 D C 0.641 176.922 176.300 -0.031 0.000 1.034 305 D CA 0.688 54.693 54.000 0.009 0.000 0.861 305 D CB 0.295 41.104 40.800 0.015 0.000 0.943 305 D HN 0.755 nan 8.370 nan 0.000 0.515 306 R N -0.953 119.519 120.500 -0.047 0.000 2.710 306 R HA 0.492 4.830 4.340 -0.003 0.000 0.270 306 R C -1.244 174.990 176.300 -0.109 0.000 1.021 306 R CA -0.783 55.272 56.100 -0.075 0.000 0.889 306 R CB 1.129 31.398 30.300 -0.051 0.000 1.243 306 R HN -0.313 nan 8.270 nan 0.000 0.464 307 V N 1.975 121.808 119.914 -0.135 0.000 2.555 307 V HA 0.276 4.394 4.120 -0.003 0.000 0.286 307 V C 0.543 176.551 176.094 -0.143 0.000 1.044 307 V CA 0.206 62.406 62.300 -0.166 0.000 1.026 307 V CB 1.022 32.769 31.823 -0.126 0.000 0.981 307 V HN 0.964 nan 8.190 nan 0.000 0.480 308 T N 0.494 114.925 114.554 -0.205 0.000 2.940 308 T HA 0.450 4.798 4.350 -0.003 0.000 0.288 308 T C 0.743 175.307 174.700 -0.226 0.000 1.045 308 T CA -0.496 61.491 62.100 -0.188 0.000 1.018 308 T CB 1.989 70.746 68.868 -0.184 0.000 1.151 308 T HN 0.504 nan 8.240 nan 0.000 0.529 309 E N 0.775 120.869 120.200 -0.177 0.000 2.077 309 E HA -0.191 4.157 4.350 -0.003 0.000 0.193 309 E C 1.900 178.370 176.600 -0.218 0.000 0.989 309 E CA 2.149 58.449 56.400 -0.168 0.000 0.800 309 E CB -0.375 29.254 29.700 -0.118 0.000 0.746 309 E HN 0.897 nan 8.360 nan 0.000 0.452 310 E N -0.440 119.599 120.200 -0.269 0.000 2.401 310 E HA -0.173 4.175 4.350 -0.003 0.000 0.199 310 E C 1.772 178.216 176.600 -0.259 0.000 1.023 310 E CA 0.965 57.201 56.400 -0.273 0.000 0.859 310 E CB -0.325 29.145 29.700 -0.384 0.000 0.780 310 E HN 0.344 nan 8.360 nan 0.000 0.523 311 M N 0.596 119.867 119.600 -0.550 0.000 2.595 311 M HA 0.094 4.572 4.480 -0.003 0.000 0.248 311 M C 0.869 176.738 176.300 -0.718 0.000 1.119 311 M CA 0.717 55.559 55.300 -0.763 0.000 1.079 311 M CB 0.268 32.390 32.600 -0.797 0.000 1.472 311 M HN 0.130 nan 8.290 nan 0.000 0.501 312 L N -0.077 120.801 121.223 -0.576 0.000 3.062 312 L HA 0.436 4.774 4.340 -0.003 0.000 0.255 312 L C 0.704 177.467 176.870 -0.178 0.000 1.274 312 L CA -0.830 53.540 54.840 -0.784 0.000 1.047 312 L CB -0.539 41.230 42.059 -0.483 0.000 1.402 312 L HN 0.017 nan 8.230 nan 0.000 0.550 313 A N 0.621 123.435 122.820 -0.010 0.000 2.448 313 A HA 0.093 4.411 4.320 -0.003 0.000 0.239 313 A C 0.942 178.734 177.584 0.348 0.000 1.080 313 A CA 0.062 52.210 52.037 0.185 0.000 0.779 313 A CB 0.198 19.280 19.000 0.137 0.000 1.026 313 A HN 0.521 nan 8.150 nan 0.000 0.499 314 D N -0.851 119.706 120.400 0.261 0.000 2.338 314 D HA 0.154 4.792 4.640 -0.003 0.000 0.239 314 D C 0.068 176.492 176.300 0.207 0.000 1.095 314 D CA 0.397 54.537 54.000 0.233 0.000 0.888 314 D CB -0.065 40.817 40.800 0.138 0.000 0.899 314 D HN 0.312 nan 8.370 nan 0.000 0.525 315 K N -0.009 120.552 120.400 0.268 0.000 2.588 315 K HA 0.686 5.004 4.320 -0.003 0.000 0.250 315 K C -1.914 174.927 176.600 0.403 0.000 0.972 315 K CA -0.438 56.027 56.287 0.296 0.000 0.821 315 K CB 1.803 34.463 32.500 0.268 0.000 1.249 315 K HN 0.038 nan 8.250 nan 0.000 0.442 316 A N 2.057 125.145 122.820 0.447 0.000 2.608 316 A HA 0.819 5.137 4.320 -0.003 0.000 0.292 316 A C -1.566 176.272 177.584 0.423 0.000 1.066 316 A CA -0.454 51.814 52.037 0.385 0.000 0.676 316 A CB 1.230 20.429 19.000 0.333 0.000 1.277 316 A HN 0.863 nan 8.150 nan 0.000 0.413 317 A N 0.377 123.410 122.820 0.354 0.000 2.289 317 A HA 0.667 4.985 4.320 -0.003 0.000 0.298 317 A C -0.686 177.042 177.584 0.240 0.000 1.208 317 A CA -0.250 51.992 52.037 0.341 0.000 0.845 317 A CB 0.343 19.559 19.000 0.360 0.000 1.125 317 A HN 1.913 nan 8.150 nan 0.000 0.517 318 L N 3.446 124.808 121.223 0.231 0.000 2.365 318 L HA 0.753 5.091 4.340 -0.003 0.000 0.273 318 L C -1.137 175.830 176.870 0.162 0.000 1.000 318 L CA -0.328 54.649 54.840 0.228 0.000 0.819 318 L CB 2.219 44.439 42.059 0.268 0.000 1.284 318 L HN 0.385 nan 8.230 nan 0.000 0.418 319 V N 5.557 125.557 119.914 0.143 0.000 2.443 319 V HA 0.491 4.609 4.120 -0.003 0.000 0.293 319 V C -0.754 175.400 176.094 0.100 0.000 1.021 319 V CA -0.566 61.795 62.300 0.102 0.000 0.848 319 V CB 1.885 33.747 31.823 0.066 0.000 0.998 319 V HN 0.511 nan 8.190 nan 0.000 0.424 320 V N 3.918 123.884 119.914 0.086 0.000 2.289 320 V HA 0.332 4.450 4.120 -0.003 0.000 0.272 320 V C 0.041 176.165 176.094 0.050 0.000 1.026 320 V CA -0.650 61.693 62.300 0.072 0.000 0.807 320 V CB 1.280 33.146 31.823 0.071 0.000 1.044 320 V HN 0.922 nan 8.190 nan 0.000 0.443 321 E N 3.355 123.590 120.200 0.059 0.000 2.299 321 E HA 0.308 4.656 4.350 -0.003 0.000 0.272 321 E C -0.729 175.885 176.600 0.023 0.000 1.043 321 E CA 0.214 56.649 56.400 0.060 0.000 0.895 321 E CB 1.052 30.820 29.700 0.113 0.000 1.011 321 E HN 0.422 nan 8.360 nan 0.000 0.432 322 V N 6.529 126.446 119.914 0.004 0.000 2.349 322 V HA 0.096 4.214 4.120 -0.003 0.000 0.284 322 V C 0.832 176.893 176.094 -0.055 0.000 1.014 322 V CA -0.533 61.760 62.300 -0.012 0.000 0.826 322 V CB 1.410 33.244 31.823 0.018 0.000 1.009 322 V HN 0.681 nan 8.190 nan 0.000 0.431 323 V N 2.342 122.169 119.914 -0.144 0.000 2.488 323 V HA 0.007 4.125 4.120 -0.003 0.000 0.246 323 V C 1.299 177.301 176.094 -0.153 0.000 1.046 323 V CA 0.985 63.116 62.300 -0.281 0.000 1.053 323 V CB -0.196 31.335 31.823 -0.486 0.000 0.679 323 V HN 0.798 nan 8.190 nan 0.000 0.458 324 E N 0.772 120.918 120.200 -0.090 0.000 2.465 324 E HA -0.062 4.286 4.350 -0.003 0.000 0.260 324 E C 1.144 177.729 176.600 -0.026 0.000 0.980 324 E CA 0.274 56.639 56.400 -0.057 0.000 0.927 324 E CB 0.711 30.380 29.700 -0.052 0.000 0.934 324 E HN 0.504 nan 8.360 nan 0.000 0.459 325 E N 1.851 122.034 120.200 -0.028 0.000 2.077 325 E HA -0.159 4.189 4.350 -0.003 0.000 0.193 325 E C 0.670 177.231 176.600 -0.064 0.000 0.989 325 E CA 0.617 57.010 56.400 -0.012 0.000 0.800 325 E CB 0.157 29.849 29.700 -0.013 0.000 0.746 325 E HN 0.278 nan 8.360 nan 0.000 0.452 326 N N 0.475 119.110 118.700 -0.108 0.000 2.415 326 N HA -0.041 4.698 4.740 -0.003 0.000 0.246 326 N C -0.177 175.212 175.510 -0.201 0.000 1.078 326 N CA -0.062 52.856 53.050 -0.219 0.000 0.942 326 N CB 0.466 38.873 38.487 -0.132 0.000 1.140 326 N HN 0.098 nan 8.380 nan 0.000 0.501 327 Y N 1.396 121.620 120.300 -0.127 0.000 2.529 327 Y HA 0.258 4.806 4.550 -0.003 0.000 0.290 327 Y C 0.325 176.078 175.900 -0.245 0.000 1.177 327 Y CA -0.490 57.512 58.100 -0.165 0.000 1.305 327 Y CB -0.855 37.525 38.460 -0.134 0.000 1.047 327 Y HN 0.371 nan 8.280 nan 0.000 0.522 328 H N 2.705 121.712 119.070 -0.104 0.000 2.975 328 H HA 0.020 4.575 4.556 -0.003 0.000 0.303 328 H C 0.316 175.112 175.328 -0.886 0.000 1.023 328 H CA 0.894 56.719 56.048 -0.370 0.000 1.473 328 H CB 0.503 30.096 29.762 -0.282 0.000 1.498 328 H HN 0.342 nan 8.280 nan 0.000 0.549 329 D N 0.891 120.464 120.400 -1.378 0.000 2.882 329 D HA -0.180 4.458 4.640 -0.003 0.000 0.229 329 D C -0.152 175.935 176.300 -0.356 0.000 1.167 329 D CA 0.892 54.346 54.000 -0.909 0.000 0.759 329 D CB -0.691 39.413 40.800 -1.160 0.000 1.088 329 D HN 0.748 nan 8.370 nan 0.000 0.425 330 A N -0.203 122.487 122.820 -0.216 0.000 2.264 330 A HA 0.703 5.021 4.320 -0.003 0.000 0.304 330 A C -2.164 175.394 177.584 -0.044 0.000 1.100 330 A CA -1.016 50.959 52.037 -0.104 0.000 0.839 330 A CB 0.679 19.645 19.000 -0.058 0.000 1.121 330 A HN 0.097 nan 8.150 nan 0.000 0.496 331 P HA 0.384 nan 4.420 nan 0.000 0.275 331 P C -0.983 176.316 177.300 -0.002 0.000 1.228 331 P CA 0.065 63.158 63.100 -0.012 0.000 0.786 331 P CB 0.503 32.195 31.700 -0.014 0.000 0.927 332 I N 2.537 123.113 120.570 0.010 0.000 2.312 332 I HA 0.061 4.229 4.170 -0.003 0.000 0.290 332 I C 1.416 177.543 176.117 0.018 0.000 1.008 332 I CA -0.495 60.814 61.300 0.014 0.000 1.226 332 I CB 1.513 39.524 38.000 0.019 0.000 1.371 332 I HN 0.195 nan 8.210 nan 0.000 0.468 333 V N 3.031 122.964 119.914 0.031 0.000 3.406 333 V HA 0.508 4.626 4.120 -0.003 0.000 0.263 333 V C 0.710 176.870 176.094 0.110 0.000 1.172 333 V CA 0.642 62.981 62.300 0.066 0.000 1.140 333 V CB -0.562 31.306 31.823 0.076 0.000 0.784 333 V HN 0.838 nan 8.190 nan 0.000 0.467 334 G N -0.629 108.213 108.800 0.070 0.000 2.355 334 G HA2 0.570 4.528 3.960 -0.003 0.000 0.296 334 G HA3 0.570 4.528 3.960 -0.003 0.000 0.296 334 G C -1.764 173.090 174.900 -0.077 0.000 1.507 334 G CA -0.692 44.416 45.100 0.013 0.000 0.823 334 G HN 0.196 nan 8.290 nan 0.000 0.569 335 I N 0.242 120.616 120.570 -0.326 0.000 2.647 335 I HA 0.716 4.884 4.170 -0.003 0.000 0.295 335 I C 0.071 176.064 176.117 -0.206 0.000 1.078 335 I CA -1.021 60.163 61.300 -0.194 0.000 1.048 335 I CB 2.371 40.247 38.000 -0.207 0.000 1.239 335 I HN 0.865 nan 8.210 nan 0.000 0.421 336 A N 5.375 128.194 122.820 -0.001 0.000 2.393 336 A HA 0.882 5.200 4.320 -0.003 0.000 0.306 336 A C -1.390 176.254 177.584 0.100 0.000 1.050 336 A CA -0.533 51.536 52.037 0.053 0.000 0.724 336 A CB 1.824 20.863 19.000 0.064 0.000 1.248 336 A HN 0.388 nan 8.150 nan 0.000 0.424 337 V N 2.232 122.225 119.914 0.132 0.000 2.577 337 V HA 0.565 4.683 4.120 -0.003 0.000 0.303 337 V C -0.753 175.427 176.094 0.144 0.000 1.042 337 V CA -0.517 61.875 62.300 0.153 0.000 0.872 337 V CB 1.769 33.656 31.823 0.107 0.000 0.998 337 V HN 0.713 nan 8.190 nan 0.000 0.423 338 V N 5.516 125.422 119.914 -0.014 0.000 2.483 338 V HA 0.650 4.768 4.120 -0.003 0.000 0.297 338 V C -0.397 175.320 176.094 -0.628 0.000 1.027 338 V CA -0.450 61.690 62.300 -0.266 0.000 0.855 338 V CB 1.814 33.445 31.823 -0.321 0.000 0.995 338 V HN 1.137 nan 8.190 nan 0.000 0.424 339 N N 2.354 120.674 118.700 -0.634 0.000 3.387 339 N HA 0.276 5.014 4.740 -0.003 0.000 0.322 339 N C 0.771 175.943 175.510 -0.563 0.000 1.588 339 N CA -0.350 52.224 53.050 -0.793 0.000 0.778 339 N CB 0.542 38.892 38.487 -0.227 0.000 1.883 339 N HN 0.503 nan 8.380 nan 0.000 0.628 340 E N -1.320 118.711 120.200 -0.281 0.000 2.204 340 E HA -0.229 4.119 4.350 -0.003 0.000 0.195 340 E C 0.364 176.858 176.600 -0.176 0.000 0.990 340 E CA 1.220 57.531 56.400 -0.147 0.000 0.821 340 E CB -0.472 29.131 29.700 -0.161 0.000 0.750 340 E HN 0.534 nan 8.360 nan 0.000 0.477 341 H N 0.508 119.618 119.070 0.066 0.000 2.535 341 H HA 0.329 4.882 4.556 -0.004 0.000 0.273 341 H C 1.182 176.551 175.328 0.069 0.000 0.983 341 H CA 0.955 57.072 56.048 0.114 0.000 1.238 341 H CB 0.980 30.854 29.762 0.187 0.000 1.412 341 H HN 0.389 nan 8.280 nan 0.000 0.562 342 G N 0.173 108.987 108.800 0.023 0.000 2.339 342 G HA2 0.090 4.048 3.960 -0.003 0.000 0.275 342 G HA3 0.090 4.048 3.960 -0.003 0.000 0.275 342 G C -1.390 173.202 174.900 -0.512 0.000 1.323 342 G CA -1.147 43.779 45.100 -0.290 0.000 0.927 342 G HN 0.114 nan 8.290 nan 0.000 0.486 343 R N -0.466 119.607 120.500 -0.712 0.000 2.494 343 R HA 0.694 5.032 4.340 -0.003 0.000 0.305 343 R C -1.454 174.440 176.300 -0.676 0.000 0.959 343 R CA -0.433 55.383 56.100 -0.473 0.000 0.864 343 R CB 1.481 31.686 30.300 -0.159 0.000 1.159 343 R HN 0.312 nan 8.270 nan 0.000 0.446 344 F N 1.849 121.827 119.950 0.047 0.000 2.576 344 F HA 0.475 5.003 4.527 0.002 0.000 0.313 344 F C -0.578 175.270 175.800 0.080 0.000 1.078 344 F CA -1.140 56.913 58.000 0.089 0.000 0.921 344 F CB 1.561 40.562 39.000 0.002 0.000 1.232 344 F HN 0.345 nan 8.300 nan 0.000 0.459 345 F N 3.695 123.748 119.950 0.171 0.000 2.493 345 F HA 0.797 5.322 4.527 -0.003 0.000 0.329 345 F C -1.811 174.013 175.800 0.040 0.000 1.126 345 F CA -0.899 57.115 58.000 0.025 0.000 0.937 345 F CB 1.030 39.996 39.000 -0.056 0.000 1.146 345 F HN 0.328 nan 8.300 nan 0.000 0.442 346 L N 6.386 127.096 121.223 -0.854 0.000 2.386 346 L HA 0.565 4.903 4.340 -0.003 0.000 0.271 346 L C -0.311 176.032 176.870 -0.878 0.000 0.993 346 L CA -1.054 53.381 54.840 -0.674 0.000 0.819 346 L CB 2.184 43.907 42.059 -0.559 0.000 1.294 346 L HN 0.583 nan 8.230 nan 0.000 0.414 347 R N 3.452 123.658 120.500 -0.490 0.000 2.491 347 R HA 0.138 4.476 4.340 -0.003 0.000 0.283 347 R C -1.482 174.658 176.300 -0.265 0.000 1.072 347 R CA -1.431 54.495 56.100 -0.291 0.000 1.048 347 R CB 0.772 31.027 30.300 -0.075 0.000 0.983 347 R HN 0.394 nan 8.270 nan 0.000 0.450 348 P HA -0.185 nan 4.420 nan 0.000 0.216 348 P C 0.106 177.347 177.300 -0.099 0.000 1.150 348 P CA 1.453 64.470 63.100 -0.139 0.000 0.837 348 P CB 0.335 31.995 31.700 -0.066 0.000 0.786 349 E N -0.250 119.909 120.200 -0.067 0.000 2.118 349 E HA -0.118 4.230 4.350 -0.003 0.000 0.195 349 E C 2.078 178.641 176.600 -0.062 0.000 0.992 349 E CA 1.746 58.120 56.400 -0.043 0.000 0.804 349 E CB -1.506 28.180 29.700 -0.023 0.000 0.741 349 E HN 0.305 nan 8.360 nan 0.000 0.458 350 T N 0.570 115.063 114.554 -0.102 0.000 2.668 350 T HA -0.040 4.308 4.350 -0.003 0.000 0.258 350 T C 2.053 176.651 174.700 -0.169 0.000 1.051 350 T CA 1.246 63.273 62.100 -0.121 0.000 1.155 350 T CB -0.620 68.163 68.868 -0.142 0.000 0.864 350 T HN 0.289 nan 8.240 nan 0.000 0.413 351 A N 1.590 124.224 122.820 -0.310 0.000 1.873 351 A HA -0.041 4.277 4.320 -0.003 0.000 0.218 351 A C 2.260 179.744 177.584 -0.167 0.000 1.193 351 A CA 1.446 53.171 52.037 -0.521 0.000 0.629 351 A CB -1.127 17.224 19.000 -1.081 0.000 0.826 351 A HN 0.497 nan 8.150 nan 0.000 0.447 352 L N -1.198 119.987 121.223 -0.065 0.000 2.549 352 L HA -0.085 4.253 4.340 -0.003 0.000 0.229 352 L C 2.535 179.443 176.870 0.064 0.000 1.158 352 L CA 0.643 55.530 54.840 0.078 0.000 0.842 352 L CB -0.372 41.721 42.059 0.055 0.000 0.952 352 L HN 0.491 nan 8.230 nan 0.000 0.452 353 A N -1.873 120.960 122.820 0.022 0.000 2.197 353 A HA -0.019 4.299 4.320 -0.003 0.000 0.210 353 A C 0.848 178.452 177.584 0.034 0.000 1.180 353 A CA -0.154 51.898 52.037 0.024 0.000 0.846 353 A CB 0.032 19.033 19.000 0.002 0.000 0.884 353 A HN 0.215 nan 8.150 nan 0.000 0.487 354 D N 0.579 121.003 120.400 0.041 0.000 2.339 354 D HA 0.170 4.808 4.640 -0.003 0.000 0.256 354 D C -1.730 174.632 176.300 0.103 0.000 1.214 354 D CA -1.559 52.474 54.000 0.056 0.000 0.877 354 D CB 1.298 42.120 40.800 0.038 0.000 1.111 354 D HN -0.009 nan 8.370 nan 0.000 0.478 355 P HA -0.191 nan 4.420 nan 0.000 0.216 355 P C 1.060 178.408 177.300 0.080 0.000 1.157 355 P CA 1.400 64.538 63.100 0.063 0.000 0.880 355 P CB 0.383 32.106 31.700 0.038 0.000 0.791 356 Q N -1.958 117.890 119.800 0.081 0.000 2.084 356 Q HA -0.133 4.205 4.340 -0.003 0.000 0.202 356 Q C 1.975 178.057 176.000 0.137 0.000 0.978 356 Q CA 1.392 57.245 55.803 0.084 0.000 0.844 356 Q CB -1.363 27.404 28.738 0.049 0.000 0.898 356 Q HN 0.244 nan 8.270 nan 0.000 0.426 357 F N -0.069 119.894 119.950 0.022 0.000 2.113 357 F HA -0.170 4.355 4.527 -0.004 0.000 0.297 357 F C 1.875 177.773 175.800 0.162 0.000 1.103 357 F CA 0.900 58.938 58.000 0.064 0.000 1.248 357 F CB -0.199 38.796 39.000 -0.009 0.000 0.999 357 F HN -0.137 nan 8.300 nan 0.000 0.475 358 V N 0.347 120.369 119.914 0.180 0.000 2.407 358 V HA -0.315 3.803 4.120 -0.003 0.000 0.248 358 V C 2.677 178.773 176.094 0.003 0.000 1.055 358 V CA 1.743 64.089 62.300 0.076 0.000 1.049 358 V CB -1.551 30.327 31.823 0.092 0.000 0.662 358 V HN 0.467 nan 8.190 nan 0.000 0.455 359 A N -0.986 121.855 122.820 0.035 0.000 1.898 359 A HA -0.266 4.052 4.320 -0.003 0.000 0.216 359 A C 1.950 179.537 177.584 0.005 0.000 1.181 359 A CA 1.807 53.854 52.037 0.016 0.000 0.620 359 A CB -0.867 18.157 19.000 0.039 0.000 0.819 359 A HN 0.729 nan 8.150 nan 0.000 0.442 360 W N 0.742 121.932 121.300 -0.183 0.000 2.355 360 W HA -0.161 4.497 4.660 -0.003 0.000 0.309 360 W C 1.739 178.096 176.519 -0.270 0.000 1.206 360 W CA 1.874 59.084 57.345 -0.225 0.000 1.284 360 W CB -0.367 28.916 29.460 -0.295 0.000 1.145 360 W HN 0.249 nan 8.180 nan 0.000 0.502 361 L N 0.240 121.292 121.223 -0.285 0.000 2.042 361 L HA -0.152 4.186 4.340 -0.003 0.000 0.210 361 L C 2.469 179.125 176.870 -0.357 0.000 1.076 361 L CA 1.641 56.225 54.840 -0.427 0.000 0.749 361 L CB -1.396 40.510 42.059 -0.255 0.000 0.893 361 L HN 0.261 nan 8.230 nan 0.000 0.432 362 G N -1.880 106.782 108.800 -0.230 0.000 2.985 362 G HA2 -0.114 3.844 3.960 -0.003 0.000 0.209 362 G HA3 -0.114 3.844 3.960 -0.003 0.000 0.209 362 G C 0.188 174.980 174.900 -0.181 0.000 1.165 362 G CA -0.205 44.787 45.100 -0.181 0.000 0.776 362 G HN 0.154 nan 8.290 nan 0.000 0.541 363 D N 0.678 120.939 120.400 -0.231 0.000 2.339 363 D HA 0.092 4.730 4.640 -0.003 0.000 0.241 363 D C 1.074 177.241 176.300 -0.221 0.000 1.183 363 D CA -0.320 53.566 54.000 -0.189 0.000 0.859 363 D CB 1.061 41.764 40.800 -0.162 0.000 1.067 363 D HN 0.284 nan 8.370 nan 0.000 0.484 364 E N 1.659 121.767 120.200 -0.153 0.000 2.333 364 E HA -0.154 4.194 4.350 -0.003 0.000 0.198 364 E C 1.300 177.829 176.600 -0.119 0.000 1.007 364 E CA 0.999 57.317 56.400 -0.137 0.000 0.845 364 E CB 0.356 29.999 29.700 -0.096 0.000 0.766 364 E HN 0.586 nan 8.360 nan 0.000 0.507 365 T N -1.580 112.912 114.554 -0.103 0.000 3.088 365 T HA 0.065 4.413 4.350 -0.003 0.000 0.259 365 T C 0.636 175.293 174.700 -0.071 0.000 1.122 365 T CA -0.111 61.950 62.100 -0.066 0.000 1.095 365 T CB 0.199 69.047 68.868 -0.035 0.000 0.930 365 T HN -0.175 nan 8.240 nan 0.000 0.508 366 K N 2.814 123.121 120.400 -0.155 0.000 2.268 366 K HA 0.347 4.665 4.320 -0.003 0.000 0.276 366 K C -0.348 176.108 176.600 -0.241 0.000 1.080 366 K CA -0.381 55.796 56.287 -0.184 0.000 0.910 366 K CB 1.110 33.341 32.500 -0.448 0.000 1.163 366 K HN 0.194 nan 8.250 nan 0.000 0.465 367 K N 2.721 123.073 120.400 -0.079 0.000 2.276 367 K HA 0.250 4.568 4.320 -0.003 0.000 0.283 367 K C -0.095 176.501 176.600 -0.006 0.000 1.044 367 K CA -0.568 55.688 56.287 -0.051 0.000 0.944 367 K CB 0.768 33.276 32.500 0.015 0.000 1.012 367 K HN 0.258 nan 8.250 nan 0.000 0.472 368 K N 0.645 121.020 120.400 -0.040 0.000 2.316 368 K HA 0.378 4.696 4.320 -0.003 0.000 0.251 368 K C -0.655 176.012 176.600 0.112 0.000 0.934 368 K CA -0.433 55.876 56.287 0.037 0.000 0.802 368 K CB 1.935 34.384 32.500 -0.085 0.000 1.171 368 K HN 0.304 nan 8.250 nan 0.000 0.426 369 S N 2.791 118.615 115.700 0.207 0.000 2.454 369 S HA 0.636 5.104 4.470 -0.003 0.000 0.306 369 S C -0.617 174.118 174.600 0.225 0.000 1.100 369 S CA -0.786 57.582 58.200 0.280 0.000 1.087 369 S CB 0.446 63.856 63.200 0.350 0.000 1.019 369 S HN 0.463 nan 8.310 nan 0.000 0.480 370 M N 1.865 121.553 119.600 0.146 0.000 2.948 370 M HA 0.588 5.066 4.480 -0.003 0.000 0.278 370 M C -1.654 174.684 176.300 0.063 0.000 1.293 370 M CA -0.750 54.611 55.300 0.102 0.000 0.777 370 M CB 1.554 34.179 32.600 0.041 0.000 1.713 370 M HN 0.583 nan 8.290 nan 0.000 0.444 371 F N 1.773 121.686 119.950 -0.062 0.000 2.496 371 F HA 0.367 4.892 4.527 -0.002 0.000 0.341 371 F C -0.509 175.243 175.800 -0.080 0.000 1.134 371 F CA -0.250 57.694 58.000 -0.094 0.000 0.968 371 F CB 0.787 39.749 39.000 -0.064 0.000 1.205 371 F HN 0.704 nan 8.300 nan 0.000 0.436 372 D N 3.315 123.459 120.400 -0.426 0.000 2.848 372 D HA -0.211 4.427 4.640 -0.003 0.000 0.245 372 D C 0.935 177.146 176.300 -0.149 0.000 1.122 372 D CA 1.022 54.864 54.000 -0.262 0.000 0.769 372 D CB -0.729 40.017 40.800 -0.090 0.000 1.025 372 D HN 0.603 nan 8.370 nan 0.000 0.423 373 S N 0.608 116.210 115.700 -0.164 0.000 2.423 373 S HA -0.219 4.250 4.470 -0.003 0.000 0.231 373 S C 1.857 176.358 174.600 -0.165 0.000 1.014 373 S CA 1.338 59.458 58.200 -0.133 0.000 0.965 373 S CB 0.019 63.145 63.200 -0.123 0.000 0.785 373 S HN 0.549 nan 8.310 nan 0.000 0.495 374 K N 1.856 122.149 120.400 -0.178 0.000 2.097 374 K HA -0.104 4.214 4.320 -0.003 0.000 0.206 374 K C 2.505 178.858 176.600 -0.411 0.000 1.049 374 K CA 1.210 57.379 56.287 -0.196 0.000 0.933 374 K CB -0.245 32.193 32.500 -0.103 0.000 0.717 374 K HN 0.465 nan 8.250 nan 0.000 0.442 375 R N 0.187 120.374 120.500 -0.522 0.000 2.083 375 R HA -0.152 4.186 4.340 -0.003 0.000 0.237 375 R C 2.093 178.047 176.300 -0.578 0.000 1.137 375 R CA 1.657 57.191 56.100 -0.944 0.000 0.951 375 R CB -0.424 29.619 30.300 -0.430 0.000 0.851 375 R HN 0.278 nan 8.270 nan 0.000 0.434 376 A N 0.663 123.313 122.820 -0.284 0.000 1.898 376 A HA -0.004 4.314 4.320 -0.003 0.000 0.216 376 A C 2.398 179.891 177.584 -0.152 0.000 1.181 376 A CA 1.443 53.387 52.037 -0.155 0.000 0.620 376 A CB -0.767 18.187 19.000 -0.077 0.000 0.819 376 A HN 0.567 nan 8.150 nan 0.000 0.442 377 A N -0.517 122.196 122.820 -0.177 0.000 1.902 377 A HA -0.022 4.296 4.320 -0.003 0.000 0.217 377 A C 2.222 179.709 177.584 -0.161 0.000 1.181 377 A CA 1.911 53.854 52.037 -0.156 0.000 0.623 377 A CB -0.858 18.054 19.000 -0.146 0.000 0.818 377 A HN 0.385 nan 8.150 nan 0.000 0.443 378 V N -0.356 119.455 119.914 -0.171 0.000 2.379 378 V HA -0.165 3.953 4.120 -0.003 0.000 0.245 378 V C 3.038 179.217 176.094 0.141 0.000 1.044 378 V CA 1.681 63.971 62.300 -0.018 0.000 1.036 378 V CB -1.176 30.701 31.823 0.091 0.000 0.664 378 V HN 0.605 nan 8.190 nan 0.000 0.453 379 A N -0.080 122.764 122.820 0.039 0.000 1.940 379 A HA -0.178 4.140 4.320 -0.003 0.000 0.219 379 A C 2.208 179.861 177.584 0.114 0.000 1.176 379 A CA 1.859 53.968 52.037 0.120 0.000 0.631 379 A CB -0.532 18.478 19.000 0.016 0.000 0.814 379 A HN 0.513 nan 8.150 nan 0.000 0.446 380 L N -1.034 120.194 121.223 0.008 0.000 2.109 380 L HA -0.148 4.190 4.340 -0.003 0.000 0.207 380 L C 2.533 179.350 176.870 -0.089 0.000 1.086 380 L CA 1.397 56.226 54.840 -0.019 0.000 0.760 380 L CB -0.399 41.630 42.059 -0.050 0.000 0.910 380 L HN 0.337 nan 8.230 nan 0.000 0.437 381 K N -0.533 119.720 120.400 -0.245 0.000 2.103 381 K HA -0.215 4.103 4.320 -0.003 0.000 0.207 381 K C 1.884 178.172 176.600 -0.520 0.000 1.048 381 K CA 1.786 57.688 56.287 -0.641 0.000 0.930 381 K CB -0.265 31.439 32.500 -1.327 0.000 0.716 381 K HN 0.277 nan 8.250 nan 0.000 0.444 382 W N 1.314 122.518 121.300 -0.160 0.000 2.525 382 W HA -0.092 4.566 4.660 -0.004 0.000 0.259 382 W C 1.347 177.911 176.519 0.075 0.000 1.253 382 W CA 0.744 58.182 57.345 0.154 0.000 1.262 382 W CB 0.197 29.771 29.460 0.189 0.000 1.122 382 W HN -0.031 nan 8.180 nan 0.000 0.607 383 K N -0.432 120.082 120.400 0.190 0.000 2.372 383 K HA 0.278 4.596 4.320 -0.003 0.000 0.200 383 K C 1.222 177.857 176.600 0.057 0.000 1.022 383 K CA 0.501 56.862 56.287 0.124 0.000 1.125 383 K CB 0.488 33.045 32.500 0.096 0.000 0.855 383 K HN 0.012 nan 8.250 nan 0.000 0.524 384 G N 2.060 110.866 108.800 0.009 0.000 2.176 384 G HA2 -0.261 3.697 3.960 -0.003 0.000 0.252 384 G HA3 -0.261 3.697 3.960 -0.003 0.000 0.252 384 G C -0.051 174.826 174.900 -0.040 0.000 1.024 384 G CA 0.011 45.098 45.100 -0.022 0.000 0.755 384 G HN 0.282 nan 8.290 nan 0.000 0.507 385 I N 0.082 120.616 120.570 -0.059 0.000 2.433 385 I HA 0.392 4.560 4.170 -0.003 0.000 0.292 385 I C 0.233 176.291 176.117 -0.099 0.000 1.001 385 I CA -0.797 60.472 61.300 -0.051 0.000 1.119 385 I CB 1.940 39.936 38.000 -0.007 0.000 1.289 385 I HN 0.189 nan 8.210 nan 0.000 0.438 386 E N 5.958 126.099 120.200 -0.098 0.000 2.227 386 E HA 0.372 4.720 4.350 -0.003 0.000 0.282 386 E C -1.492 175.030 176.600 -0.130 0.000 1.015 386 E CA -0.835 55.492 56.400 -0.122 0.000 0.823 386 E CB 1.637 31.272 29.700 -0.109 0.000 1.081 386 E HN 0.382 nan 8.360 nan 0.000 0.396 387 L N 5.866 127.004 121.223 -0.142 0.000 2.287 387 L HA 0.435 4.773 4.340 -0.003 0.000 0.287 387 L C -1.487 175.283 176.870 -0.167 0.000 1.022 387 L CA -0.207 54.536 54.840 -0.161 0.000 0.814 387 L CB 0.708 42.682 42.059 -0.141 0.000 1.217 387 L HN 0.681 nan 8.230 nan 0.000 0.420 388 C N 2.306 121.483 119.300 -0.204 0.000 3.044 388 C HA 0.825 5.283 4.460 -0.003 0.000 0.315 388 C C 1.090 175.947 174.990 -0.221 0.000 1.320 388 C CA -0.067 58.842 59.018 -0.183 0.000 1.582 388 C CB 1.400 29.043 27.740 -0.162 0.000 2.039 388 C HN 1.096 nan 8.230 nan 0.000 0.466 389 G N 0.389 109.087 108.800 -0.170 0.000 2.143 389 G HA2 -0.184 3.774 3.960 -0.003 0.000 0.248 389 G HA3 -0.184 3.774 3.960 -0.003 0.000 0.248 389 G C -0.114 174.706 174.900 -0.134 0.000 0.991 389 G CA 0.302 45.303 45.100 -0.165 0.000 0.689 389 G HN 0.892 nan 8.290 nan 0.000 0.522 390 V N 2.096 121.941 119.914 -0.114 0.000 2.381 390 V HA 0.358 4.476 4.120 -0.003 0.000 0.257 390 V C 1.608 177.685 176.094 -0.029 0.000 1.057 390 V CA 1.005 63.262 62.300 -0.072 0.000 1.013 390 V CB 0.892 32.665 31.823 -0.084 0.000 1.069 390 V HN 0.813 nan 8.190 nan 0.000 0.484 391 S N 4.001 119.713 115.700 0.021 0.000 2.535 391 S HA 0.245 4.713 4.470 -0.003 0.000 0.214 391 S C -0.071 174.625 174.600 0.160 0.000 0.980 391 S CA -0.109 58.128 58.200 0.061 0.000 0.907 391 S CB 0.066 63.299 63.200 0.055 0.000 0.790 391 S HN 0.572 nan 8.310 nan 0.000 0.510 392 F N 1.562 121.496 119.950 -0.027 0.000 2.605 392 F HA 0.501 5.026 4.527 -0.003 0.000 0.320 392 F C -2.123 173.654 175.800 -0.038 0.000 1.159 392 F CA -0.961 57.025 58.000 -0.024 0.000 0.999 392 F CB 1.663 40.654 39.000 -0.016 0.000 1.258 392 F HN -0.040 nan 8.300 nan 0.000 0.464 393 D N 6.310 126.245 120.400 -0.776 0.000 2.453 393 D HA 0.154 4.792 4.640 -0.003 0.000 0.238 393 D C 0.663 176.366 176.300 -0.996 0.000 1.088 393 D CA -0.288 53.319 54.000 -0.654 0.000 0.854 393 D CB 1.707 42.267 40.800 -0.400 0.000 1.076 393 D HN 0.698 nan 8.370 nan 0.000 0.533 394 L N 5.261 125.966 121.223 -0.862 0.000 2.079 394 L HA -0.127 4.211 4.340 -0.003 0.000 0.210 394 L C 1.870 178.440 176.870 -0.499 0.000 1.081 394 L CA 1.538 56.000 54.840 -0.629 0.000 0.752 394 L CB -0.591 41.411 42.059 -0.095 0.000 0.896 394 L HN 0.529 nan 8.230 nan 0.000 0.433 395 L N -0.865 119.868 121.223 -0.818 0.000 2.017 395 L HA -0.192 4.146 4.340 -0.003 0.000 0.208 395 L C 2.264 178.924 176.870 -0.350 0.000 1.073 395 L CA 1.921 56.222 54.840 -0.898 0.000 0.745 395 L CB -0.651 40.608 42.059 -1.333 0.000 0.894 395 L HN 0.289 nan 8.230 nan 0.000 0.432 396 L N -0.625 120.402 121.223 -0.328 0.000 2.141 396 L HA -0.126 4.212 4.340 -0.003 0.000 0.209 396 L C 2.667 179.535 176.870 -0.003 0.000 1.094 396 L CA 0.964 55.738 54.840 -0.110 0.000 0.763 396 L CB -0.970 41.002 42.059 -0.144 0.000 0.908 396 L HN 0.406 nan 8.230 nan 0.000 0.437 397 A N 0.266 123.016 122.820 -0.117 0.000 1.873 397 A HA -0.137 4.182 4.320 -0.003 0.000 0.215 397 A C 2.561 180.309 177.584 0.274 0.000 1.186 397 A CA 1.666 53.753 52.037 0.084 0.000 0.616 397 A CB -0.668 18.393 19.000 0.102 0.000 0.823 397 A HN 0.371 nan 8.150 nan 0.000 0.442 398 A N -1.447 121.536 122.820 0.272 0.000 1.902 398 A HA -0.117 4.201 4.320 -0.003 0.000 0.217 398 A C 2.144 179.899 177.584 0.284 0.000 1.181 398 A CA 1.728 54.016 52.037 0.418 0.000 0.623 398 A CB -0.870 18.349 19.000 0.365 0.000 0.818 398 A HN 0.745 nan 8.150 nan 0.000 0.443 399 Y N 0.648 121.002 120.300 0.089 0.000 2.165 399 Y HA -0.189 4.359 4.550 -0.004 0.000 0.286 399 Y C 1.909 177.855 175.900 0.077 0.000 1.155 399 Y CA 1.860 60.001 58.100 0.069 0.000 1.164 399 Y CB -0.365 38.105 38.460 0.015 0.000 0.978 399 Y HN 0.221 nan 8.280 nan 0.000 0.513 400 L N -0.783 120.422 121.223 -0.029 0.000 2.109 400 L HA -0.207 4.131 4.340 -0.003 0.000 0.207 400 L C 2.467 179.294 176.870 -0.071 0.000 1.086 400 L CA 0.934 55.696 54.840 -0.129 0.000 0.760 400 L CB -0.556 41.502 42.059 -0.001 0.000 0.910 400 L HN 0.280 nan 8.230 nan 0.000 0.437 401 L N -0.843 120.402 121.223 0.036 0.000 2.056 401 L HA -0.101 4.237 4.340 -0.003 0.000 0.207 401 L C 0.339 177.269 176.870 0.100 0.000 1.078 401 L CA 1.003 55.875 54.840 0.053 0.000 0.749 401 L CB -0.022 42.076 42.059 0.066 0.000 0.901 401 L HN 0.254 nan 8.230 nan 0.000 0.433 402 D N -2.415 118.038 120.400 0.089 0.000 2.312 402 D HA 0.140 4.778 4.640 -0.003 0.000 0.229 402 D C -2.150 174.206 176.300 0.093 0.000 1.337 402 D CA -1.168 52.914 54.000 0.137 0.000 0.964 402 D CB 1.234 42.120 40.800 0.143 0.000 1.456 402 D HN -0.246 nan 8.370 nan 0.000 0.547 403 P HA -0.042 nan 4.420 nan 0.000 0.219 403 P C 1.170 178.567 177.300 0.162 0.000 1.146 403 P CA 1.088 64.218 63.100 0.050 0.000 0.808 403 P CB 0.341 31.984 31.700 -0.095 0.000 0.779 404 A N -0.424 122.481 122.820 0.141 0.000 2.070 404 A HA -0.206 4.112 4.320 -0.003 0.000 0.220 404 A C 2.121 179.783 177.584 0.131 0.000 1.159 404 A CA 1.230 53.352 52.037 0.141 0.000 0.656 404 A CB -0.985 18.100 19.000 0.141 0.000 0.800 404 A HN 0.096 nan 8.150 nan 0.000 0.453 405 Q N -1.049 118.832 119.800 0.134 0.000 2.291 405 Q HA -0.028 4.310 4.340 -0.003 0.000 0.206 405 Q C 1.424 177.509 176.000 0.141 0.000 0.976 405 Q CA 0.947 56.826 55.803 0.127 0.000 0.875 405 Q CB -0.726 28.093 28.738 0.135 0.000 0.927 405 Q HN 1.016 nan 8.270 nan 0.000 0.450 406 G N 0.708 109.608 108.800 0.166 0.000 2.221 406 G HA2 -0.267 3.691 3.960 -0.003 0.000 0.265 406 G HA3 -0.267 3.691 3.960 -0.003 0.000 0.265 406 G C 0.114 175.117 174.900 0.172 0.000 1.041 406 G CA 0.317 45.514 45.100 0.162 0.000 0.807 406 G HN 0.228 nan 8.290 nan 0.000 0.502 407 V N 1.036 121.073 119.914 0.205 0.000 2.475 407 V HA 0.264 4.382 4.120 -0.003 0.000 0.292 407 V C 1.133 177.389 176.094 0.270 0.000 1.003 407 V CA 1.483 63.926 62.300 0.239 0.000 1.120 407 V CB 0.806 32.800 31.823 0.285 0.000 0.937 407 V HN 0.687 nan 8.190 nan 0.000 0.476 408 D N 1.393 121.952 120.400 0.264 0.000 2.527 408 D HA 0.203 4.841 4.640 -0.003 0.000 0.224 408 D C -0.174 176.306 176.300 0.300 0.000 1.217 408 D CA -0.259 53.915 54.000 0.290 0.000 0.819 408 D CB 0.409 41.319 40.800 0.182 0.000 1.061 408 D HN 0.630 nan 8.370 nan 0.000 0.515 409 D N -1.565 118.929 120.400 0.157 0.000 2.622 409 D HA 0.066 4.705 4.640 -0.003 0.000 0.255 409 D C 0.829 176.713 176.300 -0.694 0.000 1.246 409 D CA -0.873 52.939 54.000 -0.313 0.000 0.795 409 D CB 1.216 41.961 40.800 -0.092 0.000 1.369 409 D HN -0.214 nan 8.370 nan 0.000 0.425 410 V N 0.825 120.129 119.914 -1.016 0.000 2.332 410 V HA -0.214 3.904 4.120 -0.003 0.000 0.248 410 V C 2.640 178.605 176.094 -0.215 0.000 1.055 410 V CA 2.903 64.796 62.300 -0.679 0.000 1.038 410 V CB -1.139 30.395 31.823 -0.483 0.000 0.651 410 V HN 0.800 nan 8.190 nan 0.000 0.450 411 A N -0.079 122.676 122.820 -0.108 0.000 1.908 411 A HA -0.175 4.143 4.320 -0.003 0.000 0.218 411 A C 2.433 180.054 177.584 0.062 0.000 1.181 411 A CA 2.280 54.331 52.037 0.024 0.000 0.627 411 A CB -0.793 18.236 19.000 0.048 0.000 0.818 411 A HN 0.601 nan 8.150 nan 0.000 0.445 412 A N -0.293 122.558 122.820 0.052 0.000 1.902 412 A HA 0.172 4.490 4.320 -0.003 0.000 0.217 412 A C 2.505 180.189 177.584 0.166 0.000 1.181 412 A CA 2.111 54.214 52.037 0.110 0.000 0.623 412 A CB -0.977 18.098 19.000 0.124 0.000 0.818 412 A HN 1.060 nan 8.150 nan 0.000 0.443 413 A N -0.231 122.698 122.820 0.182 0.000 1.898 413 A HA 0.228 4.546 4.320 -0.003 0.000 0.216 413 A C 2.484 180.259 177.584 0.317 0.000 1.181 413 A CA 1.866 54.072 52.037 0.281 0.000 0.620 413 A CB -0.969 18.156 19.000 0.209 0.000 0.819 413 A HN 1.044 nan 8.150 nan 0.000 0.442 414 A N -0.253 122.677 122.820 0.184 0.000 1.972 414 A HA -0.174 4.144 4.320 -0.003 0.000 0.219 414 A C 2.080 179.826 177.584 0.269 0.000 1.169 414 A CA 1.986 54.150 52.037 0.212 0.000 0.635 414 A CB -0.432 18.665 19.000 0.161 0.000 0.810 414 A HN 0.524 nan 8.150 nan 0.000 0.446 415 K N -0.904 119.623 120.400 0.212 0.000 2.280 415 K HA -0.026 4.292 4.320 -0.003 0.000 0.202 415 K C 1.876 178.567 176.600 0.152 0.000 1.047 415 K CA 1.246 57.634 56.287 0.167 0.000 0.942 415 K CB -0.238 32.337 32.500 0.125 0.000 0.739 415 K HN 0.533 nan 8.250 nan 0.000 0.457 416 M N 0.224 119.936 119.600 0.186 0.000 2.279 416 M HA -0.124 4.354 4.480 -0.003 0.000 0.264 416 M C 0.699 177.041 176.300 0.068 0.000 1.062 416 M CA 1.323 56.697 55.300 0.123 0.000 1.099 416 M CB 0.310 33.007 32.600 0.162 0.000 1.394 416 M HN -0.131 nan 8.290 nan 0.000 0.426 417 K N 0.487 120.971 120.400 0.140 0.000 2.726 417 K HA 0.153 4.471 4.320 -0.003 0.000 0.209 417 K C -0.092 176.596 176.600 0.147 0.000 1.082 417 K CA 0.045 56.397 56.287 0.109 0.000 1.081 417 K CB 0.614 33.204 32.500 0.150 0.000 0.830 417 K HN 0.196 nan 8.250 nan 0.000 0.470 418 Q N -0.777 119.100 119.800 0.128 0.000 2.461 418 Q HA -0.269 4.069 4.340 -0.003 0.000 0.273 418 Q C -0.653 175.434 176.000 0.145 0.000 1.163 418 Q CA 0.982 56.850 55.803 0.108 0.000 0.929 418 Q CB -2.857 25.919 28.738 0.063 0.000 1.334 418 Q HN 0.466 nan 8.270 nan 0.000 0.499 419 Y N 0.194 120.538 120.300 0.074 0.000 2.342 419 Y HA 0.367 4.918 4.550 0.003 0.000 0.338 419 Y C 0.685 176.624 175.900 0.065 0.000 0.965 419 Y CA -0.548 57.596 58.100 0.074 0.000 1.159 419 Y CB 0.939 39.459 38.460 0.099 0.000 1.157 419 Y HN 0.035 nan 8.280 nan 0.000 0.486 420 E N 3.580 123.749 120.200 -0.052 0.000 2.812 420 E HA 0.275 4.623 4.350 -0.003 0.000 0.211 420 E C 0.167 176.741 176.600 -0.043 0.000 0.986 420 E CA -0.108 56.306 56.400 0.025 0.000 1.119 420 E CB 0.734 30.441 29.700 0.010 0.000 1.046 420 E HN 0.645 nan 8.360 nan 0.000 0.474 421 A N 1.301 123.992 122.820 -0.214 0.000 2.840 421 A HA 0.313 4.631 4.320 -0.003 0.000 0.269 421 A C -0.061 177.594 177.584 0.118 0.000 1.439 421 A CA 0.020 51.987 52.037 -0.116 0.000 1.083 421 A CB 0.058 18.883 19.000 -0.291 0.000 1.019 421 A HN 0.109 nan 8.150 nan 0.000 0.607 422 V N -0.443 119.564 119.914 0.154 0.000 3.000 422 V HA 0.475 4.593 4.120 -0.003 0.000 0.300 422 V C -0.995 175.176 176.094 0.128 0.000 1.251 422 V CA -0.998 61.402 62.300 0.167 0.000 0.972 422 V CB 2.036 33.975 31.823 0.194 0.000 1.065 422 V HN 0.665 nan 8.190 nan 0.000 0.431 423 R N 4.948 125.534 120.500 0.142 0.000 2.500 423 R HA 0.572 4.910 4.340 -0.003 0.000 0.277 423 R C -2.588 173.762 176.300 0.085 0.000 1.026 423 R CA -1.700 54.435 56.100 0.059 0.000 1.058 423 R CB 1.073 31.336 30.300 -0.061 0.000 1.078 423 R HN 0.492 nan 8.270 nan 0.000 0.509 424 P HA 0.015 nan 4.420 nan 0.000 0.271 424 P C -0.290 177.000 177.300 -0.017 0.000 1.216 424 P CA -0.131 62.984 63.100 0.025 0.000 0.776 424 P CB 0.647 32.356 31.700 0.014 0.000 0.881 425 D N 1.592 122.034 120.400 0.070 0.000 2.133 425 D HA -0.214 4.424 4.640 -0.003 0.000 0.195 425 D C 1.572 177.900 176.300 0.046 0.000 0.997 425 D CA 1.468 55.540 54.000 0.120 0.000 0.840 425 D CB -0.226 40.757 40.800 0.304 0.000 0.947 425 D HN 0.615 nan 8.370 nan 0.000 0.452 426 E N 0.482 120.719 120.200 0.062 0.000 2.118 426 E HA -0.188 4.160 4.350 -0.003 0.000 0.195 426 E C 1.917 178.502 176.600 -0.024 0.000 0.992 426 E CA 1.174 57.604 56.400 0.050 0.000 0.804 426 E CB -0.005 29.723 29.700 0.046 0.000 0.741 426 E HN 0.194 nan 8.360 nan 0.000 0.458 427 A N 0.243 123.015 122.820 -0.080 0.000 1.969 427 A HA -0.087 4.231 4.320 -0.003 0.000 0.218 427 A C 2.282 179.742 177.584 -0.206 0.000 1.169 427 A CA 1.297 53.265 52.037 -0.116 0.000 0.635 427 A CB -0.212 18.722 19.000 -0.109 0.000 0.810 427 A HN 0.232 nan 8.150 nan 0.000 0.445 428 V N -2.060 117.625 119.914 -0.382 0.000 2.500 428 V HA -0.117 4.001 4.120 -0.003 0.000 0.243 428 V C 2.016 177.823 176.094 -0.479 0.000 1.039 428 V CA 1.358 63.304 62.300 -0.589 0.000 1.053 428 V CB -0.825 30.291 31.823 -1.179 0.000 0.695 428 V HN 0.644 nan 8.190 nan 0.000 0.463 429 Y N 0.659 120.903 120.300 -0.094 0.000 2.478 429 Y HA 0.533 5.082 4.550 -0.002 0.000 0.261 429 Y C 1.597 177.482 175.900 -0.026 0.000 1.127 429 Y CA 0.076 58.152 58.100 -0.040 0.000 1.288 429 Y CB -0.504 37.950 38.460 -0.009 0.000 1.084 429 Y HN 0.315 nan 8.280 nan 0.000 0.530 430 G N 1.567 110.413 108.800 0.078 0.000 2.752 430 G HA2 -0.225 3.733 3.960 -0.003 0.000 0.234 430 G HA3 -0.225 3.733 3.960 -0.003 0.000 0.234 430 G C -0.480 174.465 174.900 0.074 0.000 1.367 430 G CA -0.104 45.027 45.100 0.052 0.000 0.879 430 G HN 0.436 nan 8.290 nan 0.000 0.563 431 K N -1.016 119.414 120.400 0.049 0.000 2.533 431 K HA 0.779 5.097 4.320 -0.003 0.000 0.272 431 K C 0.755 177.374 176.600 0.031 0.000 0.985 431 K CA 0.017 56.331 56.287 0.045 0.000 0.876 431 K CB 1.565 34.090 32.500 0.043 0.000 1.452 431 K HN 2.649 nan 8.250 nan 0.000 0.439 432 G N 0.721 109.536 108.800 0.025 0.000 2.528 432 G HA2 -0.346 3.612 3.960 -0.003 0.000 0.262 432 G HA3 -0.346 3.612 3.960 -0.003 0.000 0.262 432 G C 0.899 175.808 174.900 0.015 0.000 1.200 432 G CA 0.829 45.939 45.100 0.017 0.000 0.951 432 G HN 1.165 nan 8.290 nan 0.000 0.566 433 A N -0.459 122.368 122.820 0.012 0.000 2.019 433 A HA 0.051 4.369 4.320 -0.003 0.000 0.219 433 A C 2.135 179.727 177.584 0.013 0.000 1.164 433 A CA 2.399 54.442 52.037 0.010 0.000 0.644 433 A CB -0.371 18.634 19.000 0.007 0.000 0.805 433 A HN 0.670 nan 8.150 nan 0.000 0.449 434 K N -0.656 119.754 120.400 0.016 0.000 2.487 434 K HA 0.039 4.357 4.320 -0.003 0.000 0.192 434 K C 0.901 177.519 176.600 0.030 0.000 1.027 434 K CA -0.193 56.105 56.287 0.019 0.000 1.054 434 K CB 0.064 32.573 32.500 0.016 0.000 0.824 434 K HN 0.415 nan 8.250 nan 0.000 0.510 435 R N 1.368 121.889 120.500 0.035 0.000 2.537 435 R HA 0.214 4.552 4.340 -0.003 0.000 0.280 435 R C -0.957 175.375 176.300 0.054 0.000 1.058 435 R CA 0.193 56.325 56.100 0.054 0.000 1.057 435 R CB 0.444 30.770 30.300 0.043 0.000 0.973 435 R HN 0.096 nan 8.270 nan 0.000 0.438 436 A N 3.168 126.042 122.820 0.091 0.000 2.599 436 A HA 0.324 4.642 4.320 -0.003 0.000 0.294 436 A C -1.442 176.242 177.584 0.166 0.000 1.055 436 A CA -0.807 51.281 52.037 0.086 0.000 0.683 436 A CB 1.333 20.368 19.000 0.058 0.000 1.278 436 A HN 0.454 nan 8.150 nan 0.000 0.412 437 V N 2.749 122.745 119.914 0.137 0.000 2.488 437 V HA 0.352 4.470 4.120 -0.003 0.000 0.277 437 V C -1.733 174.451 176.094 0.150 0.000 1.046 437 V CA -0.642 61.784 62.300 0.210 0.000 0.986 437 V CB 0.471 32.370 31.823 0.128 0.000 0.989 437 V HN 0.823 nan 8.190 nan 0.000 0.475 438 P HA 0.192 nan 4.420 nan 0.000 0.274 438 P C -0.342 176.984 177.300 0.043 0.000 1.260 438 P CA -0.569 62.560 63.100 0.049 0.000 0.793 438 P CB 0.411 32.098 31.700 -0.021 0.000 1.048 439 D N 0.236 120.644 120.400 0.014 0.000 2.378 439 D HA -0.056 4.582 4.640 -0.003 0.000 0.238 439 D C 1.281 177.577 176.300 -0.007 0.000 1.180 439 D CA 0.117 54.124 54.000 0.010 0.000 0.895 439 D CB 0.493 41.293 40.800 0.000 0.000 1.192 439 D HN 0.509 nan 8.370 nan 0.000 0.438 440 E N 1.090 121.288 120.200 -0.005 0.000 2.108 440 E HA -0.214 4.134 4.350 -0.003 0.000 0.203 440 E C -0.920 175.597 176.600 -0.138 0.000 1.022 440 E CA 1.479 57.846 56.400 -0.056 0.000 0.823 440 E CB -0.392 29.305 29.700 -0.006 0.000 0.744 440 E HN 0.277 nan 8.360 nan 0.000 0.456 441 P HA -0.165 nan 4.420 nan 0.000 0.215 441 P C 1.427 178.695 177.300 -0.053 0.000 1.157 441 P CA 1.219 64.291 63.100 -0.046 0.000 0.868 441 P CB 0.064 31.752 31.700 -0.020 0.000 0.788 442 V N -0.776 119.103 119.914 -0.058 0.000 2.379 442 V HA -0.175 3.943 4.120 -0.003 0.000 0.245 442 V C 2.360 178.404 176.094 -0.084 0.000 1.044 442 V CA 1.322 63.584 62.300 -0.064 0.000 1.036 442 V CB -1.185 30.597 31.823 -0.068 0.000 0.664 442 V HN 0.045 nan 8.190 nan 0.000 0.453 443 L N 1.205 122.375 121.223 -0.087 0.000 1.994 443 L HA -0.080 4.259 4.340 -0.003 0.000 0.208 443 L C 2.493 179.258 176.870 -0.175 0.000 1.071 443 L CA 2.486 57.299 54.840 -0.044 0.000 0.745 443 L CB -1.058 41.021 42.059 0.033 0.000 0.892 443 L HN 0.204 nan 8.230 nan 0.000 0.431 444 A N -0.813 121.690 122.820 -0.527 0.000 1.892 444 A HA -0.308 4.010 4.320 -0.003 0.000 0.218 444 A C 2.360 179.540 177.584 -0.673 0.000 1.188 444 A CA 2.075 53.507 52.037 -1.009 0.000 0.631 444 A CB -0.882 17.323 19.000 -1.325 0.000 0.822 444 A HN 0.655 nan 8.150 nan 0.000 0.447 445 E N -1.508 118.475 120.200 -0.362 0.000 2.110 445 E HA -0.273 4.075 4.350 -0.003 0.000 0.193 445 E C 1.930 178.454 176.600 -0.127 0.000 0.988 445 E CA 1.307 57.577 56.400 -0.218 0.000 0.804 445 E CB -0.208 29.533 29.700 0.069 0.000 0.745 445 E HN 0.796 nan 8.360 nan 0.000 0.458 446 H N 0.689 119.659 119.070 -0.167 0.000 2.321 446 H HA -0.077 4.477 4.556 -0.005 0.000 0.300 446 H C 2.026 177.306 175.328 -0.080 0.000 1.087 446 H CA 1.799 57.776 56.048 -0.119 0.000 1.319 446 H CB -0.302 29.365 29.762 -0.157 0.000 1.379 446 H HN 0.134 nan 8.280 nan 0.000 0.501 447 L N -0.670 120.456 121.223 -0.162 0.000 2.083 447 L HA -0.142 4.197 4.340 -0.003 0.000 0.209 447 L C 2.549 179.336 176.870 -0.139 0.000 1.083 447 L CA 1.073 55.832 54.840 -0.135 0.000 0.752 447 L CB -0.507 41.605 42.059 0.089 0.000 0.899 447 L HN 0.207 nan 8.230 nan 0.000 0.433 448 V N -0.134 119.656 119.914 -0.207 0.000 2.358 448 V HA -0.237 3.881 4.120 -0.003 0.000 0.246 448 V C 2.618 178.651 176.094 -0.102 0.000 1.047 448 V CA 1.595 63.772 62.300 -0.205 0.000 1.035 448 V CB -0.560 30.984 31.823 -0.465 0.000 0.658 448 V HN 0.400 nan 8.190 nan 0.000 0.452 449 R N -0.160 120.287 120.500 -0.089 0.000 2.120 449 R HA -0.122 4.216 4.340 -0.003 0.000 0.234 449 R C 2.404 178.695 176.300 -0.015 0.000 1.123 449 R CA 1.199 57.301 56.100 0.004 0.000 0.975 449 R CB -0.213 30.116 30.300 0.047 0.000 0.866 449 R HN 0.500 nan 8.270 nan 0.000 0.446 450 K N 0.075 120.396 120.400 -0.132 0.000 2.057 450 K HA -0.040 4.278 4.320 -0.003 0.000 0.206 450 K C 2.148 178.718 176.600 -0.050 0.000 1.050 450 K CA 1.236 57.437 56.287 -0.142 0.000 0.935 450 K CB -0.100 32.241 32.500 -0.265 0.000 0.715 450 K HN 0.113 nan 8.250 nan 0.000 0.439 451 A N 1.694 124.501 122.820 -0.022 0.000 1.933 451 A HA -0.115 4.203 4.320 -0.003 0.000 0.218 451 A C 2.385 180.021 177.584 0.087 0.000 1.175 451 A CA 1.853 53.917 52.037 0.046 0.000 0.628 451 A CB -0.589 18.432 19.000 0.034 0.000 0.814 451 A HN 0.332 nan 8.150 nan 0.000 0.444 452 A N -0.134 122.725 122.820 0.064 0.000 1.902 452 A HA 0.167 4.485 4.320 -0.003 0.000 0.217 452 A C 2.503 180.158 177.584 0.118 0.000 1.181 452 A CA 2.062 54.178 52.037 0.131 0.000 0.623 452 A CB -0.990 18.094 19.000 0.139 0.000 0.818 452 A HN 1.021 nan 8.150 nan 0.000 0.443 453 A N 0.058 122.864 122.820 -0.022 0.000 1.877 453 A HA -0.092 4.226 4.320 -0.003 0.000 0.216 453 A C 2.120 179.581 177.584 -0.205 0.000 1.186 453 A CA 1.542 53.359 52.037 -0.368 0.000 0.620 453 A CB -0.657 18.154 19.000 -0.315 0.000 0.822 453 A HN 0.488 nan 8.150 nan 0.000 0.443 454 I N -1.669 118.889 120.570 -0.021 0.000 2.163 454 I HA -0.309 3.859 4.170 -0.003 0.000 0.243 454 I C 2.537 178.734 176.117 0.133 0.000 1.085 454 I CA 1.591 62.942 61.300 0.086 0.000 1.347 454 I CB -0.362 37.740 38.000 0.170 0.000 1.044 454 I HN 0.717 nan 8.210 nan 0.000 0.408 455 W N 2.073 123.358 121.300 -0.026 0.000 2.338 455 W HA -0.294 4.361 4.660 -0.008 0.000 0.304 455 W C 2.415 178.906 176.519 -0.047 0.000 1.212 455 W CA 2.113 59.447 57.345 -0.017 0.000 1.264 455 W CB -0.009 29.460 29.460 0.014 0.000 1.142 455 W HN 0.180 nan 8.180 nan 0.000 0.512 456 E N 0.575 120.794 120.200 0.032 0.000 2.112 456 E HA -0.145 4.203 4.350 -0.003 0.000 0.190 456 E C 2.183 178.717 176.600 -0.110 0.000 0.979 456 E CA 1.458 57.819 56.400 -0.065 0.000 0.814 456 E CB -0.835 28.886 29.700 0.036 0.000 0.762 456 E HN 0.339 nan 8.360 nan 0.000 0.460 457 L N 0.434 121.589 121.223 -0.114 0.000 2.418 457 L HA 0.092 4.430 4.340 -0.003 0.000 0.218 457 L C 2.419 179.284 176.870 -0.009 0.000 1.125 457 L CA 0.633 55.478 54.840 0.008 0.000 0.835 457 L CB -0.340 41.719 42.059 -0.001 0.000 0.953 457 L HN 0.234 nan 8.230 nan 0.000 0.454 458 E N 0.981 121.015 120.200 -0.276 0.000 2.049 458 E HA -0.326 4.022 4.350 -0.003 0.000 0.198 458 E C 2.296 178.595 176.600 -0.502 0.000 1.007 458 E CA 1.627 57.564 56.400 -0.771 0.000 0.809 458 E CB 0.088 29.282 29.700 -0.843 0.000 0.749 458 E HN 0.173 nan 8.360 nan 0.000 0.450 459 R N 0.714 121.024 120.500 -0.317 0.000 2.073 459 R HA -0.085 4.253 4.340 -0.003 0.000 0.234 459 R C -0.810 175.440 176.300 -0.083 0.000 1.134 459 R CA 2.184 58.164 56.100 -0.200 0.000 0.952 459 R CB -1.465 28.727 30.300 -0.181 0.000 0.850 459 R HN 0.323 nan 8.270 nan 0.000 0.433 460 P HA -0.127 nan 4.420 nan 0.000 0.217 460 P C 1.162 178.463 177.300 0.002 0.000 1.150 460 P CA 1.217 64.316 63.100 -0.000 0.000 0.832 460 P CB -0.181 31.536 31.700 0.028 0.000 0.787 461 F N -0.030 119.912 119.950 -0.013 0.000 2.146 461 F HA -0.060 4.464 4.527 -0.005 0.000 0.298 461 F C 2.620 178.467 175.800 0.078 0.000 1.096 461 F CA 1.191 59.242 58.000 0.086 0.000 1.275 461 F CB -1.232 37.927 39.000 0.265 0.000 1.008 461 F HN -0.260 nan 8.300 nan 0.000 0.480 462 L N -0.559 120.766 121.223 0.170 0.000 2.083 462 L HA -0.220 4.118 4.340 -0.003 0.000 0.209 462 L C 2.026 178.919 176.870 0.038 0.000 1.083 462 L CA 1.105 56.004 54.840 0.100 0.000 0.752 462 L CB -0.633 41.414 42.059 -0.020 0.000 0.899 462 L HN 0.065 nan 8.230 nan 0.000 0.433 463 D N -0.147 120.251 120.400 -0.002 0.000 2.097 463 D HA -0.223 4.415 4.640 -0.003 0.000 0.195 463 D C 2.040 178.325 176.300 -0.025 0.000 0.989 463 D CA 1.203 55.190 54.000 -0.021 0.000 0.827 463 D CB 0.038 40.815 40.800 -0.037 0.000 0.966 463 D HN 0.355 nan 8.370 nan 0.000 0.456 464 E N 0.186 120.359 120.200 -0.045 0.000 2.072 464 E HA -0.109 4.239 4.350 -0.003 0.000 0.191 464 E C 2.331 178.912 176.600 -0.031 0.000 0.985 464 E CA 0.344 56.705 56.400 -0.064 0.000 0.801 464 E CB -0.048 29.571 29.700 -0.134 0.000 0.750 464 E HN 0.188 nan 8.360 nan 0.000 0.452 465 L N 0.506 121.737 121.223 0.012 0.000 2.042 465 L HA -0.198 4.140 4.340 -0.003 0.000 0.210 465 L C 2.882 179.761 176.870 0.015 0.000 1.076 465 L CA 0.909 55.770 54.840 0.035 0.000 0.749 465 L CB -0.387 41.733 42.059 0.100 0.000 0.893 465 L HN 0.092 nan 8.230 nan 0.000 0.432 466 R N 0.380 120.888 120.500 0.014 0.000 2.081 466 R HA -0.107 4.231 4.340 -0.003 0.000 0.235 466 R C 2.348 178.639 176.300 -0.015 0.000 1.131 466 R CA 1.435 57.538 56.100 0.004 0.000 0.960 466 R CB -0.393 29.909 30.300 0.002 0.000 0.856 466 R HN 0.367 nan 8.270 nan 0.000 0.436 467 R N 0.128 120.614 120.500 -0.023 0.000 2.120 467 R HA -0.064 4.274 4.340 -0.003 0.000 0.234 467 R C 1.457 177.729 176.300 -0.046 0.000 1.123 467 R CA 1.285 57.366 56.100 -0.031 0.000 0.975 467 R CB -0.208 30.073 30.300 -0.031 0.000 0.866 467 R HN 0.178 nan 8.270 nan 0.000 0.446 468 N N 0.759 119.425 118.700 -0.057 0.000 2.461 468 N HA -0.047 4.691 4.740 -0.003 0.000 0.188 468 N C -0.476 174.966 175.510 -0.114 0.000 1.134 468 N CA 0.388 53.382 53.050 -0.093 0.000 0.878 468 N CB 0.202 38.628 38.487 -0.101 0.000 0.972 468 N HN 0.169 nan 8.380 nan 0.000 0.456 469 E N -0.545 119.607 120.200 -0.079 0.000 2.513 469 E HA -0.264 4.084 4.350 -0.003 0.000 0.257 469 E C -0.249 176.351 176.600 0.000 0.000 1.098 469 E CA 0.288 56.640 56.400 -0.079 0.000 0.752 469 E CB -1.568 27.988 29.700 -0.241 0.000 1.324 469 E HN 0.555 nan 8.360 nan 0.000 0.403 470 Q N -0.567 119.247 119.800 0.024 0.000 2.189 470 Q HA -0.010 4.328 4.340 -0.003 0.000 0.223 470 Q C 1.438 177.479 176.000 0.069 0.000 0.828 470 Q CA 0.269 56.111 55.803 0.064 0.000 0.967 470 Q CB 0.489 29.245 28.738 0.031 0.000 1.139 470 Q HN 0.366 nan 8.270 nan 0.000 0.497 471 D N 1.069 121.507 120.400 0.063 0.000 2.144 471 D HA -0.215 4.423 4.640 -0.003 0.000 0.199 471 D C 1.506 177.845 176.300 0.065 0.000 0.984 471 D CA 0.968 55.009 54.000 0.069 0.000 0.834 471 D CB -0.059 40.775 40.800 0.056 0.000 0.955 471 D HN 0.173 nan 8.370 nan 0.000 0.465 472 R N -0.317 120.220 120.500 0.062 0.000 2.115 472 R HA 0.024 4.362 4.340 -0.003 0.000 0.226 472 R C 2.447 178.772 176.300 0.040 0.000 1.100 472 R CA 0.295 56.423 56.100 0.047 0.000 0.980 472 R CB -0.325 30.002 30.300 0.045 0.000 0.875 472 R HN 0.145 nan 8.270 nan 0.000 0.445 473 L N 1.062 122.316 121.223 0.051 0.000 2.046 473 L HA -0.148 4.190 4.340 -0.003 0.000 0.208 473 L C 1.971 178.864 176.870 0.037 0.000 1.077 473 L CA 1.517 56.380 54.840 0.039 0.000 0.747 473 L CB -0.429 41.660 42.059 0.050 0.000 0.896 473 L HN 0.130 nan 8.230 nan 0.000 0.432 474 L N -1.578 119.674 121.223 0.049 0.000 2.007 474 L HA -0.074 4.264 4.340 -0.003 0.000 0.205 474 L C 2.276 179.163 176.870 0.028 0.000 1.073 474 L CA 1.790 56.656 54.840 0.042 0.000 0.744 474 L CB -0.645 41.454 42.059 0.067 0.000 0.898 474 L HN 0.054 nan 8.230 nan 0.000 0.435 475 V N -0.332 119.607 119.914 0.041 0.000 2.427 475 V HA -0.191 3.927 4.120 -0.003 0.000 0.248 475 V C 2.226 178.328 176.094 0.013 0.000 1.051 475 V CA 2.012 64.331 62.300 0.032 0.000 1.048 475 V CB -0.637 31.212 31.823 0.043 0.000 0.666 475 V HN 0.509 nan 8.190 nan 0.000 0.456 476 E N -1.153 119.054 120.200 0.012 0.000 2.452 476 E HA 0.122 4.470 4.350 -0.003 0.000 0.197 476 E C 1.555 178.153 176.600 -0.004 0.000 1.022 476 E CA 0.164 56.565 56.400 0.002 0.000 0.890 476 E CB 0.639 30.340 29.700 0.002 0.000 0.918 476 E HN 0.442 nan 8.360 nan 0.000 0.496 477 L N 0.123 121.346 121.223 0.001 0.000 2.919 477 L HA 0.112 4.450 4.340 -0.003 0.000 0.169 477 L C 1.782 178.652 176.870 -0.001 0.000 1.228 477 L CA 0.485 55.323 54.840 -0.002 0.000 0.862 477 L CB 0.213 42.273 42.059 0.001 0.000 1.313 477 L HN -0.213 nan 8.230 nan 0.000 0.526 478 E N 0.140 120.346 120.200 0.010 0.000 2.051 478 E HA -0.259 4.089 4.350 -0.003 0.000 0.192 478 E C 2.019 178.606 176.600 -0.022 0.000 0.991 478 E CA 1.603 58.008 56.400 0.008 0.000 0.799 478 E CB -0.257 29.465 29.700 0.037 0.000 0.748 478 E HN 0.607 nan 8.360 nan 0.000 0.449 479 Q N -0.319 119.463 119.800 -0.030 0.000 2.079 479 Q HA -0.092 4.246 4.340 -0.003 0.000 0.200 479 Q C -0.553 175.421 176.000 -0.043 0.000 0.974 479 Q CA 1.347 57.120 55.803 -0.050 0.000 0.840 479 Q CB -0.777 27.932 28.738 -0.049 0.000 0.898 479 Q HN 0.238 nan 8.270 nan 0.000 0.430 480 P HA -0.145 nan 4.420 nan 0.000 0.219 480 P C 1.215 178.496 177.300 -0.031 0.000 1.150 480 P CA 0.812 63.894 63.100 -0.031 0.000 0.814 480 P CB 0.032 31.718 31.700 -0.024 0.000 0.787 481 L N -0.563 120.642 121.223 -0.029 0.000 2.131 481 L HA -0.094 4.244 4.340 -0.003 0.000 0.210 481 L C 2.357 179.208 176.870 -0.032 0.000 1.092 481 L CA 1.852 56.674 54.840 -0.031 0.000 0.759 481 L CB -1.515 40.527 42.059 -0.028 0.000 0.903 481 L HN -0.102 nan 8.230 nan 0.000 0.435 482 S N -1.206 114.472 115.700 -0.036 0.000 2.370 482 S HA -0.217 4.251 4.470 -0.003 0.000 0.226 482 S C 2.084 176.668 174.600 -0.026 0.000 1.033 482 S CA 1.806 59.984 58.200 -0.037 0.000 1.011 482 S CB -0.406 62.754 63.200 -0.066 0.000 0.852 482 S HN 0.683 nan 8.310 nan 0.000 0.457 483 S N 1.059 116.737 115.700 -0.036 0.000 2.383 483 S HA 0.080 4.548 4.470 -0.003 0.000 0.227 483 S C 1.737 176.330 174.600 -0.011 0.000 1.026 483 S CA 1.246 59.426 58.200 -0.034 0.000 0.981 483 S CB -0.373 62.800 63.200 -0.046 0.000 0.818 483 S HN 0.542 nan 8.310 nan 0.000 0.472 484 I N 1.283 121.847 120.570 -0.011 0.000 2.252 484 I HA -0.140 4.028 4.170 -0.003 0.000 0.245 484 I C 1.954 178.086 176.117 0.025 0.000 1.102 484 I CA 1.031 62.330 61.300 -0.002 0.000 1.385 484 I CB -0.340 37.647 38.000 -0.021 0.000 1.064 484 I HN 0.230 nan 8.210 nan 0.000 0.414 485 L N 0.520 121.758 121.223 0.025 0.000 2.141 485 L HA -0.167 4.171 4.340 -0.003 0.000 0.209 485 L C 2.828 179.823 176.870 0.209 0.000 1.094 485 L CA 1.128 56.025 54.840 0.094 0.000 0.763 485 L CB -0.688 41.424 42.059 0.087 0.000 0.908 485 L HN 0.228 nan 8.230 nan 0.000 0.437 486 A N 0.026 122.929 122.820 0.139 0.000 1.933 486 A HA -0.200 4.118 4.320 -0.003 0.000 0.218 486 A C 2.172 179.870 177.584 0.190 0.000 1.175 486 A CA 1.526 53.656 52.037 0.154 0.000 0.628 486 A CB -0.328 18.693 19.000 0.035 0.000 0.814 486 A HN 0.455 nan 8.150 nan 0.000 0.444 487 E N -0.702 119.574 120.200 0.127 0.000 2.072 487 E HA -0.139 4.209 4.350 -0.003 0.000 0.191 487 E C 2.075 178.774 176.600 0.165 0.000 0.985 487 E CA 1.280 57.757 56.400 0.129 0.000 0.801 487 E CB -0.263 29.468 29.700 0.052 0.000 0.750 487 E HN 0.650 nan 8.360 nan 0.000 0.452 488 M N 0.703 120.405 119.600 0.170 0.000 2.086 488 M HA -0.194 4.284 4.480 -0.003 0.000 0.261 488 M C 2.072 178.538 176.300 0.275 0.000 1.067 488 M CA 1.610 57.029 55.300 0.198 0.000 1.116 488 M CB -0.176 32.562 32.600 0.230 0.000 1.348 488 M HN 0.051 nan 8.290 nan 0.000 0.407 489 E N -0.319 120.120 120.200 0.398 0.000 2.077 489 E HA -0.205 4.143 4.350 -0.003 0.000 0.193 489 E C 1.814 178.747 176.600 0.556 0.000 0.989 489 E CA 1.247 57.931 56.400 0.474 0.000 0.800 489 E CB -0.274 29.802 29.700 0.626 0.000 0.746 489 E HN 0.397 nan 8.360 nan 0.000 0.452 490 F N 1.562 121.715 119.950 0.339 0.000 2.186 490 F HA -0.094 4.431 4.527 -0.003 0.000 0.299 490 F C 2.188 178.031 175.800 0.072 0.000 1.090 490 F CA 1.201 59.296 58.000 0.158 0.000 1.307 490 F CB -0.330 38.635 39.000 -0.058 0.000 1.019 490 F HN -0.067 nan 8.300 nan 0.000 0.489 491 A N 0.302 123.086 122.820 -0.061 0.000 1.902 491 A HA 0.274 4.592 4.320 -0.003 0.000 0.217 491 A C 1.702 179.152 177.584 -0.224 0.000 1.181 491 A CA 1.271 53.167 52.037 -0.235 0.000 0.623 491 A CB -1.551 17.305 19.000 -0.240 0.000 0.818 491 A HN 0.973 nan 8.150 nan 0.000 0.443 492 G N -2.463 106.226 108.800 -0.185 0.000 2.877 492 G HA2 0.005 3.963 3.960 -0.003 0.000 0.279 492 G HA3 0.005 3.963 3.960 -0.003 0.000 0.279 492 G C -0.462 174.288 174.900 -0.250 0.000 1.431 492 G CA -0.300 44.523 45.100 -0.461 0.000 0.883 492 G HN 1.145 nan 8.290 nan 0.000 0.547 493 V N 0.684 120.465 119.914 -0.222 0.000 2.540 493 V HA 0.596 4.714 4.120 -0.003 0.000 0.302 493 V C 0.432 176.481 176.094 -0.075 0.000 1.035 493 V CA -0.780 61.487 62.300 -0.054 0.000 0.873 493 V CB 1.744 33.625 31.823 0.097 0.000 0.992 493 V HN 0.988 nan 8.190 nan 0.000 0.428 494 K N 3.452 123.825 120.400 -0.046 0.000 2.350 494 K HA 0.476 4.794 4.320 -0.003 0.000 0.279 494 K C -0.926 175.622 176.600 -0.088 0.000 1.027 494 K CA 0.125 56.370 56.287 -0.070 0.000 0.969 494 K CB 1.026 33.496 32.500 -0.051 0.000 0.954 494 K HN 0.450 nan 8.250 nan 0.000 0.474 495 V N 3.908 123.734 119.914 -0.146 0.000 2.495 495 V HA 0.179 4.297 4.120 -0.003 0.000 0.298 495 V C -0.606 175.400 176.094 -0.147 0.000 1.031 495 V CA -0.947 61.210 62.300 -0.237 0.000 0.871 495 V CB 1.702 33.340 31.823 -0.309 0.000 0.988 495 V HN 0.792 nan 8.190 nan 0.000 0.432 496 D N 3.315 123.637 120.400 -0.131 0.000 2.517 496 D HA 0.070 4.708 4.640 -0.003 0.000 0.220 496 D C 1.540 177.788 176.300 -0.086 0.000 1.158 496 D CA 0.294 54.249 54.000 -0.076 0.000 0.992 496 D CB 1.161 41.936 40.800 -0.042 0.000 1.058 496 D HN 0.771 nan 8.370 nan 0.000 0.516 497 T N 0.686 115.191 114.554 -0.082 0.000 2.833 497 T HA -0.173 4.175 4.350 -0.003 0.000 0.269 497 T C 1.685 176.355 174.700 -0.050 0.000 1.054 497 T CA 0.893 62.951 62.100 -0.071 0.000 1.135 497 T CB 0.028 68.860 68.868 -0.060 0.000 0.869 497 T HN 0.260 nan 8.240 nan 0.000 0.466 498 K N 0.639 121.014 120.400 -0.041 0.000 2.097 498 K HA 0.003 4.321 4.320 -0.003 0.000 0.205 498 K C 2.676 179.257 176.600 -0.032 0.000 1.050 498 K CA 1.147 57.415 56.287 -0.032 0.000 0.938 498 K CB -0.175 32.310 32.500 -0.026 0.000 0.718 498 K HN 0.318 nan 8.250 nan 0.000 0.442 499 R N 1.140 121.619 120.500 -0.036 0.000 2.075 499 R HA -0.028 4.310 4.340 -0.003 0.000 0.232 499 R C 2.241 178.519 176.300 -0.036 0.000 1.126 499 R CA 0.850 56.929 56.100 -0.035 0.000 0.963 499 R CB -0.143 30.136 30.300 -0.035 0.000 0.858 499 R HN 0.114 nan 8.270 nan 0.000 0.435 500 L N 0.576 121.773 121.223 -0.043 0.000 2.046 500 L HA -0.195 4.143 4.340 -0.003 0.000 0.208 500 L C 2.164 179.019 176.870 -0.026 0.000 1.077 500 L CA 1.699 56.518 54.840 -0.035 0.000 0.747 500 L CB -0.331 41.697 42.059 -0.053 0.000 0.896 500 L HN 0.356 nan 8.230 nan 0.000 0.432 501 E N -0.856 119.326 120.200 -0.029 0.000 2.110 501 E HA -0.250 4.099 4.350 -0.003 0.000 0.193 501 E C 2.247 178.835 176.600 -0.021 0.000 0.988 501 E CA 0.845 57.231 56.400 -0.024 0.000 0.804 501 E CB 0.036 29.721 29.700 -0.024 0.000 0.745 501 E HN 0.394 nan 8.360 nan 0.000 0.458 502 Q N 0.034 119.821 119.800 -0.023 0.000 2.079 502 Q HA -0.073 4.265 4.340 -0.003 0.000 0.200 502 Q C 2.150 178.137 176.000 -0.021 0.000 0.974 502 Q CA 1.252 57.043 55.803 -0.021 0.000 0.840 502 Q CB -0.133 28.591 28.738 -0.023 0.000 0.898 502 Q HN 0.402 nan 8.270 nan 0.000 0.430 503 M N -0.792 118.795 119.600 -0.023 0.000 2.117 503 M HA -0.120 4.358 4.480 -0.003 0.000 0.262 503 M C 2.114 178.403 176.300 -0.017 0.000 1.065 503 M CA 1.658 56.945 55.300 -0.021 0.000 1.114 503 M CB -0.644 31.945 32.600 -0.018 0.000 1.361 503 M HN 0.250 nan 8.290 nan 0.000 0.408 504 G N 0.649 109.440 108.800 -0.015 0.000 2.440 504 G HA2 -0.209 3.749 3.960 -0.003 0.000 0.218 504 G HA3 -0.209 3.749 3.960 -0.003 0.000 0.218 504 G C 1.618 176.507 174.900 -0.019 0.000 1.154 504 G CA 0.840 45.930 45.100 -0.016 0.000 0.767 504 G HN 0.408 nan 8.290 nan 0.000 0.552 505 K N 0.370 120.759 120.400 -0.017 0.000 2.026 505 K HA -0.065 4.253 4.320 -0.003 0.000 0.208 505 K C 2.467 179.058 176.600 -0.016 0.000 1.048 505 K CA 1.400 57.677 56.287 -0.016 0.000 0.929 505 K CB -0.155 32.337 32.500 -0.014 0.000 0.713 505 K HN 0.406 nan 8.250 nan 0.000 0.439 506 E N 0.918 121.107 120.200 -0.017 0.000 2.106 506 E HA -0.136 4.213 4.350 -0.003 0.000 0.192 506 E C 2.115 178.702 176.600 -0.022 0.000 0.984 506 E CA 0.697 57.088 56.400 -0.016 0.000 0.806 506 E CB -0.052 29.639 29.700 -0.016 0.000 0.750 506 E HN 0.220 nan 8.360 nan 0.000 0.458 507 L N 0.683 121.889 121.223 -0.029 0.000 2.046 507 L HA -0.187 4.151 4.340 -0.003 0.000 0.208 507 L C 2.580 179.419 176.870 -0.052 0.000 1.077 507 L CA 0.956 55.768 54.840 -0.046 0.000 0.747 507 L CB -0.430 41.600 42.059 -0.048 0.000 0.896 507 L HN 0.167 nan 8.230 nan 0.000 0.432 508 A N -0.245 122.554 122.820 -0.036 0.000 1.940 508 A HA -0.273 4.045 4.320 -0.003 0.000 0.219 508 A C 2.127 179.699 177.584 -0.019 0.000 1.176 508 A CA 1.992 54.012 52.037 -0.028 0.000 0.631 508 A CB -0.419 18.570 19.000 -0.018 0.000 0.814 508 A HN 0.416 nan 8.150 nan 0.000 0.446 509 E N 0.102 120.292 120.200 -0.016 0.000 2.047 509 E HA -0.190 4.158 4.350 -0.003 0.000 0.191 509 E C 2.154 178.747 176.600 -0.010 0.000 0.987 509 E CA 1.833 58.228 56.400 -0.008 0.000 0.799 509 E CB -0.368 29.329 29.700 -0.005 0.000 0.752 509 E HN 0.705 nan 8.360 nan 0.000 0.449 510 Q N -0.243 119.544 119.800 -0.022 0.000 2.124 510 Q HA -0.103 4.235 4.340 -0.003 0.000 0.202 510 Q C 2.395 178.363 176.000 -0.053 0.000 0.977 510 Q CA 1.323 57.108 55.803 -0.031 0.000 0.850 510 Q CB -0.113 28.598 28.738 -0.045 0.000 0.901 510 Q HN 0.335 nan 8.270 nan 0.000 0.429 511 L N -0.268 120.917 121.223 -0.063 0.000 2.093 511 L HA -0.118 4.220 4.340 -0.003 0.000 0.208 511 L C 2.385 179.275 176.870 0.033 0.000 1.085 511 L CA 1.077 55.895 54.840 -0.037 0.000 0.755 511 L CB -0.718 41.296 42.059 -0.075 0.000 0.904 511 L HN 0.337 nan 8.230 nan 0.000 0.435 512 G N -0.885 107.924 108.800 0.014 0.000 2.418 512 G HA2 -0.247 3.711 3.960 -0.003 0.000 0.217 512 G HA3 -0.247 3.711 3.960 -0.003 0.000 0.217 512 G C 1.568 176.469 174.900 0.002 0.000 1.158 512 G CA 1.330 46.440 45.100 0.018 0.000 0.771 512 G HN 0.274 nan 8.290 nan 0.000 0.545 513 T N 0.785 115.340 114.554 0.002 0.000 2.674 513 T HA -0.103 4.245 4.350 -0.003 0.000 0.265 513 T C 2.577 177.271 174.700 -0.011 0.000 1.039 513 T CA 1.335 63.437 62.100 0.002 0.000 1.150 513 T CB -0.311 68.566 68.868 0.015 0.000 0.864 513 T HN 0.060 nan 8.240 nan 0.000 0.427 514 V N 1.495 121.407 119.914 -0.003 0.000 2.407 514 V HA -0.155 3.963 4.120 -0.003 0.000 0.248 514 V C 2.508 178.531 176.094 -0.118 0.000 1.055 514 V CA 1.748 64.046 62.300 -0.003 0.000 1.049 514 V CB -0.619 31.227 31.823 0.038 0.000 0.662 514 V HN 0.553 nan 8.190 nan 0.000 0.455 515 E N -0.183 119.928 120.200 -0.150 0.000 2.058 515 E HA -0.279 4.070 4.350 -0.003 0.000 0.194 515 E C 2.337 178.549 176.600 -0.646 0.000 0.997 515 E CA 1.469 57.586 56.400 -0.472 0.000 0.801 515 E CB -0.039 29.502 29.700 -0.265 0.000 0.746 515 E HN 0.528 nan 8.360 nan 0.000 0.450 516 Q N 0.272 119.916 119.800 -0.261 0.000 2.084 516 Q HA -0.142 4.196 4.340 -0.003 0.000 0.202 516 Q C 2.259 178.207 176.000 -0.086 0.000 0.978 516 Q CA 0.889 56.638 55.803 -0.090 0.000 0.844 516 Q CB -0.467 28.284 28.738 0.022 0.000 0.898 516 Q HN 0.173 nan 8.270 nan 0.000 0.426 517 R N 0.919 121.368 120.500 -0.085 0.000 2.105 517 R HA -0.069 4.269 4.340 -0.003 0.000 0.239 517 R C 2.167 178.436 176.300 -0.053 0.000 1.135 517 R CA 0.912 56.991 56.100 -0.035 0.000 0.967 517 R CB -0.544 29.748 30.300 -0.012 0.000 0.861 517 R HN 0.335 nan 8.270 nan 0.000 0.442 518 I N -0.218 120.240 120.570 -0.186 0.000 2.252 518 I HA -0.292 3.876 4.170 -0.003 0.000 0.245 518 I C 1.830 177.926 176.117 -0.036 0.000 1.102 518 I CA 1.126 62.316 61.300 -0.184 0.000 1.385 518 I CB -0.409 37.336 38.000 -0.425 0.000 1.064 518 I HN 0.080 nan 8.210 nan 0.000 0.414 519 Y N 0.799 121.094 120.300 -0.009 0.000 2.293 519 Y HA -0.198 4.350 4.550 -0.003 0.000 0.291 519 Y C 2.540 178.478 175.900 0.063 0.000 1.137 519 Y CA 0.829 58.959 58.100 0.050 0.000 1.202 519 Y CB -0.861 37.593 38.460 -0.010 0.000 0.990 519 Y HN 0.252 nan 8.280 nan 0.000 0.537 520 E N 0.460 120.766 120.200 0.177 0.000 2.031 520 E HA -0.177 4.171 4.350 -0.003 0.000 0.193 520 E C 1.973 178.642 176.600 0.115 0.000 0.994 520 E CA 1.217 57.690 56.400 0.121 0.000 0.800 520 E CB -0.299 29.448 29.700 0.079 0.000 0.752 520 E HN 0.419 nan 8.360 nan 0.000 0.447 521 L N 0.112 121.406 121.223 0.118 0.000 2.275 521 L HA -0.085 4.253 4.340 -0.003 0.000 0.215 521 L C 2.373 179.322 176.870 0.131 0.000 1.119 521 L CA 0.786 55.720 54.840 0.157 0.000 0.790 521 L CB -0.222 41.955 42.059 0.196 0.000 0.919 521 L HN 0.184 nan 8.230 nan 0.000 0.443 522 A N -0.610 122.282 122.820 0.120 0.000 2.178 522 A HA 0.296 4.614 4.320 -0.003 0.000 0.211 522 A C 1.862 179.479 177.584 0.055 0.000 1.157 522 A CA 0.727 52.801 52.037 0.062 0.000 0.780 522 A CB -0.220 18.896 19.000 0.194 0.000 0.828 522 A HN 0.467 nan 8.150 nan 0.000 0.476 523 G N -0.934 107.922 108.800 0.094 0.000 2.162 523 G HA2 -0.274 3.684 3.960 -0.003 0.000 0.260 523 G HA3 -0.274 3.684 3.960 -0.003 0.000 0.260 523 G C 0.024 174.961 174.900 0.062 0.000 0.976 523 G CA 1.059 46.198 45.100 0.064 0.000 0.655 523 G HN 1.549 nan 8.290 nan 0.000 0.533 524 Q N -1.943 117.924 119.800 0.112 0.000 2.874 524 Q HA 0.617 4.955 4.340 -0.003 0.000 0.303 524 Q C -1.468 174.619 176.000 0.146 0.000 0.876 524 Q CA -1.062 54.790 55.803 0.082 0.000 0.765 524 Q CB 0.652 29.414 28.738 0.040 0.000 1.478 524 Q HN 0.269 nan 8.270 nan 0.000 0.434 525 E N 0.525 120.685 120.200 -0.068 0.000 2.214 525 E HA 0.703 5.051 4.350 -0.003 0.000 0.274 525 E C -1.048 175.548 176.600 -0.006 0.000 0.977 525 E CA -0.575 55.539 56.400 -0.476 0.000 0.827 525 E CB 1.398 30.603 29.700 -0.824 0.000 1.130 525 E HN 0.455 nan 8.360 nan 0.000 0.394 526 F N -0.846 118.995 119.950 -0.183 0.000 2.773 526 F HA 0.344 4.869 4.527 -0.003 0.000 0.314 526 F C -1.063 174.792 175.800 0.091 0.000 1.160 526 F CA -1.519 56.472 58.000 -0.014 0.000 0.920 526 F CB 0.625 39.638 39.000 0.022 0.000 1.323 526 F HN 0.143 nan 8.300 nan 0.000 0.457 527 N N 1.889 120.650 118.700 0.101 0.000 2.448 527 N HA 0.272 5.010 4.740 -0.003 0.000 0.250 527 N C 0.815 176.323 175.510 -0.005 0.000 1.136 527 N CA -0.118 52.940 53.050 0.013 0.000 0.953 527 N CB 0.001 38.535 38.487 0.080 0.000 1.251 527 N HN 0.759 nan 8.380 nan 0.000 0.502 528 I N 1.490 121.879 120.570 -0.302 0.000 2.315 528 I HA -0.290 3.878 4.170 -0.003 0.000 0.251 528 I C 1.207 177.358 176.117 0.057 0.000 1.125 528 I CA 0.819 61.970 61.300 -0.249 0.000 1.392 528 I CB -0.135 37.475 38.000 -0.650 0.000 1.065 528 I HN 0.456 nan 8.210 nan 0.000 0.424 529 N N 0.430 119.189 118.700 0.098 0.000 2.521 529 N HA -0.041 4.697 4.740 -0.003 0.000 0.188 529 N C 0.658 176.241 175.510 0.122 0.000 1.146 529 N CA 0.359 53.493 53.050 0.140 0.000 0.893 529 N CB 0.106 38.671 38.487 0.130 0.000 0.975 529 N HN 0.129 nan 8.380 nan 0.000 0.451 530 S N 1.409 117.191 115.700 0.136 0.000 2.434 530 S HA 0.326 4.794 4.470 -0.003 0.000 0.318 530 S C -1.728 172.968 174.600 0.161 0.000 1.062 530 S CA -1.682 56.600 58.200 0.136 0.000 1.116 530 S CB 1.224 64.508 63.200 0.141 0.000 0.977 530 S HN -0.115 nan 8.310 nan 0.000 0.480 531 P HA -0.130 nan 4.420 nan 0.000 0.218 531 P C 1.198 178.605 177.300 0.178 0.000 1.146 531 P CA 0.941 64.136 63.100 0.159 0.000 0.813 531 P CB 0.218 31.995 31.700 0.130 0.000 0.778 532 K N -0.235 120.252 120.400 0.145 0.000 2.031 532 K HA -0.126 4.192 4.320 -0.003 0.000 0.205 532 K C 2.129 178.821 176.600 0.153 0.000 1.049 532 K CA 1.205 57.575 56.287 0.139 0.000 0.939 532 K CB -0.191 32.362 32.500 0.088 0.000 0.717 532 K HN 0.073 nan 8.250 nan 0.000 0.438 533 Q N 0.387 120.276 119.800 0.148 0.000 2.119 533 Q HA -0.146 4.192 4.340 -0.003 0.000 0.201 533 Q C 2.122 178.167 176.000 0.075 0.000 0.972 533 Q CA 1.068 56.952 55.803 0.136 0.000 0.847 533 Q CB -0.043 28.830 28.738 0.225 0.000 0.903 533 Q HN 0.233 nan 8.270 nan 0.000 0.433 534 L N 0.387 121.716 121.223 0.177 0.000 2.056 534 L HA -0.028 4.310 4.340 -0.003 0.000 0.207 534 L C 2.099 178.955 176.870 -0.023 0.000 1.078 534 L CA 2.199 57.108 54.840 0.114 0.000 0.749 534 L CB -1.009 41.189 42.059 0.232 0.000 0.901 534 L HN 0.154 nan 8.230 nan 0.000 0.433 535 G N -0.963 107.934 108.800 0.162 0.000 2.442 535 G HA2 -0.224 3.735 3.960 -0.003 0.000 0.219 535 G HA3 -0.224 3.735 3.960 -0.003 0.000 0.219 535 G C 1.529 176.510 174.900 0.133 0.000 1.141 535 G CA 1.157 46.462 45.100 0.342 0.000 0.763 535 G HN 0.348 nan 8.290 nan 0.000 0.554 536 V N 1.349 121.334 119.914 0.118 0.000 2.358 536 V HA -0.126 3.992 4.120 -0.003 0.000 0.246 536 V C 2.788 178.770 176.094 -0.187 0.000 1.047 536 V CA 1.081 63.398 62.300 0.028 0.000 1.035 536 V CB -0.288 31.552 31.823 0.027 0.000 0.658 536 V HN 0.280 nan 8.190 nan 0.000 0.452 537 I N -0.346 120.019 120.570 -0.343 0.000 2.202 537 I HA -0.198 3.970 4.170 -0.003 0.000 0.242 537 I C 2.332 178.170 176.117 -0.466 0.000 1.091 537 I CA 1.822 62.828 61.300 -0.490 0.000 1.368 537 I CB -0.946 36.524 38.000 -0.885 0.000 1.058 537 I HN 0.277 nan 8.210 nan 0.000 0.410 538 L N -0.574 120.305 121.223 -0.573 0.000 2.023 538 L HA -0.165 4.173 4.340 -0.003 0.000 0.205 538 L C 2.334 178.682 176.870 -0.870 0.000 1.073 538 L CA 1.442 55.794 54.840 -0.813 0.000 0.745 538 L CB -0.651 40.688 42.059 -1.200 0.000 0.900 538 L HN 0.087 nan 8.230 nan 0.000 0.435 539 F N -0.769 118.940 119.950 -0.402 0.000 2.776 539 F HA 0.075 4.600 4.527 -0.003 0.000 0.300 539 F C 2.103 177.686 175.800 -0.361 0.000 1.116 539 F CA 0.211 57.916 58.000 -0.491 0.000 1.375 539 F CB -0.133 38.277 39.000 -0.983 0.000 1.109 539 F HN 0.055 nan 8.300 nan 0.000 0.585 540 E N -0.057 120.037 120.200 -0.176 0.000 2.476 540 E HA 0.013 4.361 4.350 -0.003 0.000 0.193 540 E C 1.847 178.385 176.600 -0.103 0.000 0.966 540 E CA -0.028 56.321 56.400 -0.085 0.000 1.114 540 E CB 0.083 29.771 29.700 -0.020 0.000 1.151 540 E HN 0.095 nan 8.360 nan 0.000 0.487 541 K N 1.161 121.474 120.400 -0.145 0.000 2.025 541 K HA -0.029 4.289 4.320 -0.003 0.000 0.207 541 K C 1.812 178.331 176.600 -0.136 0.000 1.049 541 K CA 1.006 57.212 56.287 -0.134 0.000 0.933 541 K CB 0.107 32.507 32.500 -0.168 0.000 0.714 541 K HN 0.047 nan 8.250 nan 0.000 0.438 542 L N 0.706 121.809 121.223 -0.200 0.000 2.592 542 L HA 0.071 4.409 4.340 -0.003 0.000 0.227 542 L C 0.163 176.952 176.870 -0.135 0.000 1.127 542 L CA -0.038 54.693 54.840 -0.183 0.000 0.884 542 L CB 0.230 42.091 42.059 -0.330 0.000 1.065 542 L HN 0.272 nan 8.230 nan 0.000 0.457 543 Q N 0.120 119.839 119.800 -0.135 0.000 2.480 543 Q HA -0.200 4.138 4.340 -0.003 0.000 0.265 543 Q C 0.031 175.962 176.000 -0.114 0.000 1.072 543 Q CA 0.891 56.636 55.803 -0.097 0.000 1.018 543 Q CB -2.067 26.634 28.738 -0.062 0.000 1.433 543 Q HN 0.490 nan 8.270 nan 0.000 0.513 544 L N 2.098 123.224 121.223 -0.161 0.000 2.461 544 L HA 0.152 4.490 4.340 -0.003 0.000 0.272 544 L C -1.248 175.624 176.870 0.003 0.000 1.197 544 L CA -1.260 53.489 54.840 -0.152 0.000 0.836 544 L CB -0.177 41.747 42.059 -0.224 0.000 1.105 544 L HN -0.091 nan 8.230 nan 0.000 0.477 545 P HA 0.031 nan 4.420 nan 0.000 0.271 545 P C -0.664 176.672 177.300 0.060 0.000 1.216 545 P CA -0.230 62.840 63.100 -0.050 0.000 0.776 545 P CB 0.993 32.591 31.700 -0.171 0.000 0.881 546 V N 5.446 125.326 119.914 -0.057 0.000 2.356 546 V HA 0.056 4.174 4.120 -0.003 0.000 0.258 546 V C 1.679 177.708 176.094 -0.109 0.000 1.065 546 V CA 0.179 62.339 62.300 -0.235 0.000 0.935 546 V CB -0.038 31.636 31.823 -0.248 0.000 1.061 546 V HN 0.481 nan 8.190 nan 0.000 0.484 547 L N 2.554 123.738 121.223 -0.065 0.000 2.298 547 L HA 0.296 4.634 4.340 -0.003 0.000 0.209 547 L C 0.971 177.829 176.870 -0.019 0.000 1.084 547 L CA 0.538 55.373 54.840 -0.008 0.000 0.816 547 L CB 0.034 42.123 42.059 0.050 0.000 0.967 547 L HN 0.438 nan 8.230 nan 0.000 0.460 548 K N 0.797 121.166 120.400 -0.051 0.000 2.422 548 K HA 0.468 4.786 4.320 -0.003 0.000 0.251 548 K C -1.332 175.224 176.600 -0.073 0.000 0.933 548 K CA -0.469 55.796 56.287 -0.036 0.000 0.798 548 K CB 1.720 34.223 32.500 0.005 0.000 1.238 548 K HN -0.179 nan 8.250 nan 0.000 0.428 549 K N 1.134 121.504 120.400 -0.049 0.000 2.259 549 K HA 0.474 4.792 4.320 -0.003 0.000 0.249 549 K C -0.876 175.701 176.600 -0.038 0.000 0.942 549 K CA -1.009 55.245 56.287 -0.056 0.000 0.816 549 K CB 2.104 34.569 32.500 -0.058 0.000 1.155 549 K HN 0.569 nan 8.250 nan 0.000 0.428 550 T N 0.406 114.935 114.554 -0.042 0.000 2.912 550 T HA 0.201 4.549 4.350 -0.003 0.000 0.288 550 T C 0.809 175.482 174.700 -0.045 0.000 1.030 550 T CA -0.659 61.425 62.100 -0.027 0.000 1.020 550 T CB 0.938 69.804 68.868 -0.003 0.000 1.056 550 T HN 0.554 nan 8.240 nan 0.000 0.480 551 K N 1.059 121.439 120.400 -0.033 0.000 2.107 551 K HA -0.162 4.156 4.320 -0.003 0.000 0.211 551 K C 2.026 178.596 176.600 -0.050 0.000 1.049 551 K CA 2.080 58.345 56.287 -0.037 0.000 0.927 551 K CB -0.352 32.132 32.500 -0.026 0.000 0.714 551 K HN 0.632 nan 8.250 nan 0.000 0.452 552 T N -1.184 113.341 114.554 -0.048 0.000 2.901 552 T HA 0.094 4.442 4.350 -0.003 0.000 0.252 552 T C 0.991 175.623 174.700 -0.113 0.000 1.035 552 T CA 1.181 63.245 62.100 -0.060 0.000 1.142 552 T CB 0.221 69.069 68.868 -0.034 0.000 0.869 552 T HN 0.454 nan 8.240 nan 0.000 0.442 553 G N -0.818 107.901 108.800 -0.135 0.000 3.319 553 G HA2 0.426 4.384 3.960 -0.003 0.000 0.158 553 G HA3 0.426 4.384 3.960 -0.003 0.000 0.158 553 G C -1.498 173.236 174.900 -0.277 0.000 1.205 553 G CA -0.622 44.303 45.100 -0.292 0.000 1.252 553 G HN 0.232 nan 8.290 nan 0.000 0.668 554 Y N 1.186 121.461 120.300 -0.043 0.000 2.308 554 Y HA 0.660 5.208 4.550 -0.003 0.000 0.329 554 Y C 0.928 176.803 175.900 -0.041 0.000 1.111 554 Y CA -0.695 57.318 58.100 -0.146 0.000 1.179 554 Y CB 1.746 40.121 38.460 -0.141 0.000 1.201 554 Y HN 0.281 nan 8.280 nan 0.000 0.483 555 S N 1.225 116.962 115.700 0.061 0.000 2.523 555 S HA 0.272 4.740 4.470 -0.003 0.000 0.275 555 S C 0.597 175.318 174.600 0.203 0.000 1.281 555 S CA -0.157 58.101 58.200 0.097 0.000 1.050 555 S CB 0.063 63.289 63.200 0.043 0.000 0.937 555 S HN 0.834 nan 8.310 nan 0.000 0.492 556 T N 0.684 115.366 114.554 0.213 0.000 3.339 556 T HA 0.296 4.644 4.350 -0.003 0.000 0.292 556 T C 0.383 175.182 174.700 0.164 0.000 1.012 556 T CA -0.218 62.026 62.100 0.240 0.000 0.937 556 T CB -0.586 68.426 68.868 0.240 0.000 1.164 556 T HN 0.622 nan 8.240 nan 0.000 0.509 557 S N 0.701 116.480 115.700 0.133 0.000 2.573 557 S HA 0.553 5.021 4.470 -0.003 0.000 0.277 557 S C 1.886 176.548 174.600 0.103 0.000 1.346 557 S CA -0.228 58.034 58.200 0.104 0.000 1.034 557 S CB 0.876 64.126 63.200 0.083 0.000 0.879 557 S HN 0.552 nan 8.310 nan 0.000 0.528 558 A N 1.160 124.033 122.820 0.088 0.000 1.986 558 A HA -0.166 4.152 4.320 -0.003 0.000 0.220 558 A C 1.801 179.430 177.584 0.075 0.000 1.171 558 A CA 2.094 54.179 52.037 0.081 0.000 0.640 558 A CB -1.326 17.715 19.000 0.068 0.000 0.811 558 A HN 1.022 nan 8.150 nan 0.000 0.451 559 D N -0.448 119.995 120.400 0.071 0.000 2.104 559 D HA -0.135 4.503 4.640 -0.003 0.000 0.194 559 D C 1.756 178.104 176.300 0.080 0.000 0.994 559 D CA 1.801 55.840 54.000 0.065 0.000 0.830 559 D CB -0.123 40.713 40.800 0.060 0.000 0.959 559 D HN 0.180 nan 8.370 nan 0.000 0.452 560 V N 0.549 120.521 119.914 0.097 0.000 2.270 560 V HA -0.194 3.924 4.120 -0.003 0.000 0.245 560 V C 2.735 178.912 176.094 0.138 0.000 1.043 560 V CA 1.349 63.722 62.300 0.122 0.000 1.014 560 V CB -0.655 31.256 31.823 0.147 0.000 0.645 560 V HN 0.319 nan 8.190 nan 0.000 0.447 561 L N -0.234 121.069 121.223 0.134 0.000 2.043 561 L HA -0.213 4.126 4.340 -0.003 0.000 0.212 561 L C 2.790 179.721 176.870 0.102 0.000 1.075 561 L CA 1.536 56.448 54.840 0.120 0.000 0.752 561 L CB -0.860 41.261 42.059 0.103 0.000 0.891 561 L HN 0.363 nan 8.230 nan 0.000 0.432 562 E N 0.789 121.039 120.200 0.084 0.000 2.097 562 E HA -0.244 4.104 4.350 -0.003 0.000 0.196 562 E C 2.113 178.753 176.600 0.066 0.000 1.000 562 E CA 1.495 57.933 56.400 0.063 0.000 0.804 562 E CB -0.200 29.530 29.700 0.050 0.000 0.740 562 E HN 0.554 nan 8.360 nan 0.000 0.454 563 K N 0.175 120.628 120.400 0.089 0.000 2.217 563 K HA 0.035 4.353 4.320 -0.003 0.000 0.202 563 K C 2.204 178.898 176.600 0.157 0.000 1.051 563 K CA 0.488 56.837 56.287 0.102 0.000 0.952 563 K CB 0.035 32.605 32.500 0.117 0.000 0.736 563 K HN 0.107 nan 8.250 nan 0.000 0.453 564 L N 0.230 121.568 121.223 0.192 0.000 2.446 564 L HA 0.077 4.415 4.340 -0.003 0.000 0.219 564 L C 2.419 179.421 176.870 0.220 0.000 1.116 564 L CA 0.078 55.097 54.840 0.299 0.000 0.844 564 L CB -0.476 41.719 42.059 0.226 0.000 0.970 564 L HN 0.106 nan 8.230 nan 0.000 0.457 565 A N 1.541 124.426 122.820 0.110 0.000 1.903 565 A HA -0.178 4.140 4.320 -0.003 0.000 0.219 565 A C 0.018 177.613 177.584 0.019 0.000 1.191 565 A CA 1.942 54.018 52.037 0.065 0.000 0.638 565 A CB -1.811 17.210 19.000 0.035 0.000 0.823 565 A HN 0.286 nan 8.150 nan 0.000 0.451 566 P HA -0.141 nan 4.420 nan 0.000 0.219 566 P C 0.688 177.864 177.300 -0.207 0.000 1.146 566 P CA 1.076 64.059 63.100 -0.195 0.000 0.808 566 P CB -0.161 31.340 31.700 -0.332 0.000 0.779 567 Y N -2.863 117.460 120.300 0.038 0.000 2.337 567 Y HA 0.023 4.571 4.550 -0.003 0.000 0.293 567 Y C 1.502 177.448 175.900 0.077 0.000 1.123 567 Y CA 1.032 59.160 58.100 0.048 0.000 1.201 567 Y CB -0.177 38.317 38.460 0.057 0.000 1.011 567 Y HN 0.053 nan 8.280 nan 0.000 0.545 568 H N -0.836 118.305 119.070 0.118 0.000 3.038 568 H HA 0.135 4.689 4.556 -0.003 0.000 0.362 568 H C 0.191 175.535 175.328 0.028 0.000 1.167 568 H CA -0.553 55.528 56.048 0.056 0.000 1.197 568 H CB 1.716 31.499 29.762 0.035 0.000 1.840 568 H HN 0.170 nan 8.280 nan 0.000 0.540 569 E N 3.739 123.969 120.200 0.051 0.000 2.265 569 E HA -0.096 4.252 4.350 -0.003 0.000 0.196 569 E C 1.750 178.476 176.600 0.210 0.000 0.996 569 E CA 0.655 57.113 56.400 0.096 0.000 0.832 569 E CB 0.284 29.978 29.700 -0.010 0.000 0.756 569 E HN 0.620 nan 8.360 nan 0.000 0.491 570 I N 0.014 120.843 120.570 0.432 0.000 2.361 570 I HA -0.251 3.917 4.170 -0.003 0.000 0.251 570 I C 1.878 178.048 176.117 0.088 0.000 1.133 570 I CA 0.636 62.037 61.300 0.168 0.000 1.413 570 I CB 0.113 38.094 38.000 -0.032 0.000 1.073 570 I HN 0.028 nan 8.210 nan 0.000 0.424 571 V N 2.287 122.259 119.914 0.096 0.000 2.255 571 V HA -0.338 3.780 4.120 -0.003 0.000 0.247 571 V C 2.455 178.595 176.094 0.077 0.000 1.051 571 V CA 2.489 64.830 62.300 0.069 0.000 1.018 571 V CB -1.194 30.677 31.823 0.080 0.000 0.641 571 V HN 0.631 nan 8.190 nan 0.000 0.445 572 E N 0.511 120.756 120.200 0.075 0.000 2.160 572 E HA -0.264 4.084 4.350 -0.003 0.000 0.195 572 E C 1.872 178.530 176.600 0.097 0.000 0.991 572 E CA 1.743 58.183 56.400 0.066 0.000 0.810 572 E CB -0.511 29.210 29.700 0.036 0.000 0.742 572 E HN 0.637 nan 8.360 nan 0.000 0.466 573 N N 0.856 119.614 118.700 0.098 0.000 2.216 573 N HA -0.050 4.688 4.740 -0.003 0.000 0.183 573 N C 2.024 177.611 175.510 0.130 0.000 1.017 573 N CA 1.114 54.235 53.050 0.119 0.000 0.861 573 N CB -0.057 38.471 38.487 0.067 0.000 0.986 573 N HN 0.295 nan 8.380 nan 0.000 0.428 574 I N 1.200 121.827 120.570 0.096 0.000 2.315 574 I HA -0.208 3.960 4.170 -0.003 0.000 0.248 574 I C 2.152 178.371 176.117 0.169 0.000 1.117 574 I CA 0.728 62.094 61.300 0.109 0.000 1.404 574 I CB -0.118 37.929 38.000 0.079 0.000 1.071 574 I HN 0.052 nan 8.210 nan 0.000 0.419 575 L N -0.325 120.984 121.223 0.145 0.000 2.056 575 L HA -0.256 4.082 4.340 -0.003 0.000 0.207 575 L C 2.691 179.668 176.870 0.179 0.000 1.078 575 L CA 1.493 56.417 54.840 0.139 0.000 0.749 575 L CB -0.808 41.315 42.059 0.106 0.000 0.901 575 L HN 0.365 nan 8.230 nan 0.000 0.433 576 H N -1.344 117.768 119.070 0.071 0.000 2.389 576 H HA -0.245 4.309 4.556 -0.003 0.000 0.299 576 H C 2.262 177.627 175.328 0.061 0.000 1.081 576 H CA 1.543 57.623 56.048 0.053 0.000 1.345 576 H CB 0.216 30.005 29.762 0.046 0.000 1.393 576 H HN 0.312 nan 8.280 nan 0.000 0.520 577 Y N 1.621 121.900 120.300 -0.036 0.000 2.200 577 Y HA -0.154 4.394 4.550 -0.003 0.000 0.290 577 Y C 2.545 178.401 175.900 -0.073 0.000 1.137 577 Y CA 1.405 59.433 58.100 -0.120 0.000 1.163 577 Y CB -0.135 38.264 38.460 -0.102 0.000 0.988 577 Y HN 0.029 nan 8.280 nan 0.000 0.518 578 R N -0.137 120.379 120.500 0.026 0.000 2.092 578 R HA -0.174 4.164 4.340 -0.003 0.000 0.231 578 R C 2.415 178.676 176.300 -0.065 0.000 1.119 578 R CA 1.437 57.519 56.100 -0.030 0.000 0.970 578 R CB -0.341 30.010 30.300 0.085 0.000 0.864 578 R HN 0.497 nan 8.270 nan 0.000 0.440 579 Q N 1.041 120.830 119.800 -0.018 0.000 1.993 579 Q HA -0.159 4.179 4.340 -0.003 0.000 0.202 579 Q C 2.141 178.107 176.000 -0.056 0.000 0.984 579 Q CA 1.435 57.241 55.803 0.004 0.000 0.837 579 Q CB -0.019 28.765 28.738 0.076 0.000 0.902 579 Q HN 0.330 nan 8.270 nan 0.000 0.423 580 L N -0.245 120.888 121.223 -0.149 0.000 2.046 580 L HA -0.112 4.226 4.340 -0.003 0.000 0.208 580 L C 2.502 179.246 176.870 -0.211 0.000 1.077 580 L CA 1.087 55.814 54.840 -0.188 0.000 0.747 580 L CB -0.880 40.999 42.059 -0.299 0.000 0.896 580 L HN 0.406 nan 8.230 nan 0.000 0.432 581 G N 0.263 108.855 108.800 -0.347 0.000 2.422 581 G HA2 -0.315 3.643 3.960 -0.003 0.000 0.218 581 G HA3 -0.315 3.643 3.960 -0.003 0.000 0.218 581 G C 1.667 176.471 174.900 -0.160 0.000 1.146 581 G CA 0.952 45.841 45.100 -0.353 0.000 0.769 581 G HN 0.208 nan 8.290 nan 0.000 0.547 582 K N -0.107 120.240 120.400 -0.089 0.000 2.026 582 K HA 0.022 4.340 4.320 -0.003 0.000 0.208 582 K C 2.328 178.975 176.600 0.078 0.000 1.048 582 K CA 0.742 57.032 56.287 0.005 0.000 0.929 582 K CB -0.578 31.962 32.500 0.067 0.000 0.713 582 K HN 0.183 nan 8.250 nan 0.000 0.439 583 L N 1.035 122.320 121.223 0.103 0.000 2.017 583 L HA -0.134 4.204 4.340 -0.003 0.000 0.208 583 L C 2.523 179.453 176.870 0.101 0.000 1.073 583 L CA 1.796 56.746 54.840 0.184 0.000 0.745 583 L CB -1.114 40.993 42.059 0.080 0.000 0.894 583 L HN 0.360 nan 8.230 nan 0.000 0.432 584 Q N -0.527 119.273 119.800 0.000 0.000 1.993 584 Q HA -0.177 4.161 4.340 -0.003 0.000 0.202 584 Q C 2.496 178.475 176.000 -0.035 0.000 0.984 584 Q CA 2.517 58.304 55.803 -0.027 0.000 0.837 584 Q CB -0.363 28.332 28.738 -0.072 0.000 0.902 584 Q HN 0.590 nan 8.270 nan 0.000 0.423 585 S N -1.797 113.867 115.700 -0.060 0.000 2.368 585 S HA -0.108 4.360 4.470 -0.003 0.000 0.224 585 S C 1.941 176.477 174.600 -0.108 0.000 1.029 585 S CA 1.531 59.688 58.200 -0.072 0.000 0.988 585 S CB -0.670 62.487 63.200 -0.072 0.000 0.838 585 S HN 0.442 nan 8.310 nan 0.000 0.462 586 T N 0.190 114.637 114.554 -0.177 0.000 2.953 586 T HA 0.211 4.559 4.350 -0.003 0.000 0.247 586 T C 0.965 175.400 174.700 -0.442 0.000 1.029 586 T CA 0.788 62.659 62.100 -0.383 0.000 1.144 586 T CB -0.362 68.108 68.868 -0.665 0.000 0.870 586 T HN 0.513 nan 8.240 nan 0.000 0.446 587 Y N 0.149 120.466 120.300 0.028 0.000 2.466 587 Y HA 0.473 5.021 4.550 -0.003 0.000 0.272 587 Y C 1.539 177.465 175.900 0.042 0.000 1.169 587 Y CA -0.373 57.761 58.100 0.057 0.000 1.285 587 Y CB -0.215 38.283 38.460 0.064 0.000 1.078 587 Y HN 0.211 nan 8.280 nan 0.000 0.523 588 I N -1.350 119.277 120.570 0.096 0.000 3.809 588 I HA -0.029 4.139 4.170 -0.003 0.000 0.245 588 I C 1.732 177.853 176.117 0.007 0.000 1.119 588 I CA 0.191 61.521 61.300 0.050 0.000 1.597 588 I CB 0.172 38.191 38.000 0.032 0.000 1.605 588 I HN -0.077 nan 8.210 nan 0.000 0.441 589 E N 1.523 121.716 120.200 -0.012 0.000 2.077 589 E HA -0.138 4.211 4.350 -0.003 0.000 0.193 589 E C 2.097 178.679 176.600 -0.030 0.000 0.989 589 E CA 1.411 57.797 56.400 -0.023 0.000 0.800 589 E CB -0.298 29.385 29.700 -0.029 0.000 0.746 589 E HN 0.577 nan 8.360 nan 0.000 0.452 590 G N 1.554 110.326 108.800 -0.046 0.000 2.418 590 G HA2 -0.243 3.715 3.960 -0.003 0.000 0.217 590 G HA3 -0.243 3.715 3.960 -0.003 0.000 0.217 590 G C 1.566 176.449 174.900 -0.029 0.000 1.158 590 G CA 0.474 45.541 45.100 -0.055 0.000 0.771 590 G HN 0.101 nan 8.290 nan 0.000 0.545 591 L N 0.459 121.679 121.223 -0.005 0.000 2.027 591 L HA 0.172 4.510 4.340 -0.003 0.000 0.206 591 L C 2.723 179.586 176.870 -0.010 0.000 1.074 591 L CA 1.243 56.097 54.840 0.024 0.000 0.745 591 L CB -0.553 41.552 42.059 0.077 0.000 0.898 591 L HN 0.192 nan 8.230 nan 0.000 0.433 592 L N -0.686 120.525 121.223 -0.020 0.000 2.127 592 L HA -0.265 4.073 4.340 -0.003 0.000 0.211 592 L C 2.513 179.367 176.870 -0.027 0.000 1.089 592 L CA 1.292 56.114 54.840 -0.031 0.000 0.757 592 L CB -0.542 41.500 42.059 -0.028 0.000 0.899 592 L HN 0.274 nan 8.230 nan 0.000 0.434 593 K N -0.371 120.015 120.400 -0.023 0.000 2.147 593 K HA -0.121 4.197 4.320 -0.003 0.000 0.205 593 K C 1.663 178.250 176.600 -0.022 0.000 1.049 593 K CA 1.572 57.845 56.287 -0.023 0.000 0.936 593 K CB 0.007 32.492 32.500 -0.024 0.000 0.722 593 K HN 0.366 nan 8.250 nan 0.000 0.446 594 V N -2.154 117.749 119.914 -0.018 0.000 3.621 594 V HA 0.152 4.270 4.120 -0.003 0.000 0.285 594 V C 0.528 176.616 176.094 -0.011 0.000 1.346 594 V CA -0.487 61.804 62.300 -0.014 0.000 1.104 594 V CB 0.153 31.971 31.823 -0.008 0.000 0.913 594 V HN -0.211 nan 8.190 nan 0.000 0.432 595 V N 3.051 122.953 119.914 -0.020 0.000 2.555 595 V HA 0.296 4.414 4.120 -0.003 0.000 0.286 595 V C 0.787 176.878 176.094 -0.005 0.000 1.044 595 V CA -0.380 61.906 62.300 -0.024 0.000 1.026 595 V CB 0.705 32.499 31.823 -0.049 0.000 0.981 595 V HN 0.505 nan 8.190 nan 0.000 0.480 596 R N 7.174 127.690 120.500 0.027 0.000 2.296 596 R HA 0.175 4.513 4.340 -0.003 0.000 0.323 596 R C -1.538 174.773 176.300 0.018 0.000 1.067 596 R CA -1.522 54.600 56.100 0.038 0.000 0.946 596 R CB 0.695 31.061 30.300 0.110 0.000 0.991 596 R HN 0.528 nan 8.270 nan 0.000 0.448 597 P HA -0.185 nan 4.420 nan 0.000 0.222 597 P C 0.374 177.676 177.300 0.004 0.000 1.147 597 P CA 1.241 64.339 63.100 -0.003 0.000 0.790 597 P CB 0.286 31.981 31.700 -0.008 0.000 0.780 598 D N -0.152 120.259 120.400 0.017 0.000 2.162 598 D HA -0.086 4.552 4.640 -0.003 0.000 0.203 598 D C 1.541 177.854 176.300 0.021 0.000 0.967 598 D CA 1.827 55.840 54.000 0.022 0.000 0.840 598 D CB -1.166 39.656 40.800 0.037 0.000 0.972 598 D HN 0.268 nan 8.370 nan 0.000 0.482 599 T N -3.353 111.221 114.554 0.034 0.000 2.985 599 T HA 0.199 4.547 4.350 -0.003 0.000 0.254 599 T C 0.770 175.464 174.700 -0.009 0.000 1.021 599 T CA -0.269 61.841 62.100 0.018 0.000 0.957 599 T CB 0.151 69.050 68.868 0.051 0.000 1.047 599 T HN 0.076 nan 8.240 nan 0.000 0.511 600 K N 0.872 121.267 120.400 -0.008 0.000 3.129 600 K HA -0.141 4.177 4.320 -0.003 0.000 0.273 600 K C -0.575 175.986 176.600 -0.064 0.000 1.123 600 K CA 0.593 56.857 56.287 -0.038 0.000 0.800 600 K CB -1.339 31.133 32.500 -0.048 0.000 1.238 600 K HN 0.515 nan 8.250 nan 0.000 0.492 601 K N 0.586 120.956 120.400 -0.049 0.000 2.208 601 K HA 0.519 4.837 4.320 -0.003 0.000 0.247 601 K C -0.031 176.481 176.600 -0.146 0.000 0.953 601 K CA -0.851 55.353 56.287 -0.139 0.000 0.837 601 K CB 2.223 34.592 32.500 -0.219 0.000 1.131 601 K HN 0.053 nan 8.250 nan 0.000 0.431 602 V N -0.795 118.987 119.914 -0.220 0.000 2.483 602 V HA 0.431 4.549 4.120 -0.003 0.000 0.295 602 V C -0.584 175.311 176.094 -0.331 0.000 1.035 602 V CA -0.630 61.584 62.300 -0.144 0.000 0.896 602 V CB 1.410 33.215 31.823 -0.030 0.000 0.986 602 V HN 0.720 nan 8.190 nan 0.000 0.447 603 H N 2.525 121.504 119.070 -0.152 0.000 2.736 603 H HA 0.377 4.931 4.556 -0.003 0.000 0.271 603 H C 0.227 175.406 175.328 -0.248 0.000 1.184 603 H CA -0.191 55.673 56.048 -0.307 0.000 1.378 603 H CB 1.674 31.014 29.762 -0.704 0.000 1.428 603 H HN 0.876 nan 8.280 nan 0.000 0.500 604 T N 2.675 117.174 114.554 -0.091 0.000 2.766 604 T HA 0.355 4.704 4.350 -0.003 0.000 0.295 604 T C 0.553 175.210 174.700 -0.071 0.000 1.024 604 T CA -0.309 61.700 62.100 -0.152 0.000 1.018 604 T CB 0.346 68.987 68.868 -0.378 0.000 1.002 604 T HN 0.416 nan 8.240 nan 0.000 0.532 605 I N 2.806 123.279 120.570 -0.162 0.000 2.418 605 I HA 0.320 4.488 4.170 -0.003 0.000 0.287 605 I C -0.991 175.044 176.117 -0.137 0.000 1.008 605 I CA -0.741 60.510 61.300 -0.082 0.000 1.104 605 I CB 1.425 39.319 38.000 -0.177 0.000 1.264 605 I HN 0.526 nan 8.210 nan 0.000 0.438 606 F N 4.876 124.902 119.950 0.127 0.000 2.421 606 F HA 0.231 4.756 4.527 -0.004 0.000 0.358 606 F C 0.901 176.741 175.800 0.066 0.000 1.115 606 F CA -0.423 57.630 58.000 0.088 0.000 1.160 606 F CB 0.332 39.380 39.000 0.081 0.000 1.123 606 F HN 0.407 nan 8.300 nan 0.000 0.508 607 N N 3.732 122.555 118.700 0.205 0.000 2.401 607 N HA -0.010 4.728 4.740 -0.003 0.000 0.255 607 N C 0.664 176.200 175.510 0.044 0.000 1.110 607 N CA 0.265 53.374 53.050 0.099 0.000 0.949 607 N CB 0.816 39.343 38.487 0.065 0.000 1.110 607 N HN 0.780 nan 8.380 nan 0.000 0.490 608 Q N 2.818 122.597 119.800 -0.035 0.000 2.425 608 Q HA 0.173 4.511 4.340 -0.003 0.000 0.204 608 Q C -0.188 175.513 176.000 -0.498 0.000 0.933 608 Q CA 0.250 55.970 55.803 -0.139 0.000 0.939 608 Q CB 0.345 29.031 28.738 -0.087 0.000 1.044 608 Q HN 0.622 nan 8.270 nan 0.000 0.513 609 A N 0.515 122.980 122.820 -0.591 0.000 2.956 609 A HA 0.301 4.619 4.320 -0.003 0.000 0.294 609 A C 0.052 177.261 177.584 -0.625 0.000 0.993 609 A CA -0.278 51.041 52.037 -1.197 0.000 1.032 609 A CB 0.321 18.949 19.000 -0.620 0.000 1.129 609 A HN 0.380 nan 8.150 nan 0.000 0.505 610 L N -0.307 120.712 121.223 -0.340 0.000 2.666 610 L HA 0.304 4.642 4.340 -0.003 0.000 0.184 610 L C 1.260 178.267 176.870 0.227 0.000 1.092 610 L CA 1.822 56.684 54.840 0.037 0.000 0.857 610 L CB -0.006 42.080 42.059 0.045 0.000 1.281 610 L HN 0.343 nan 8.230 nan 0.000 0.489 611 T N -1.054 113.636 114.554 0.227 0.000 2.932 611 T HA 0.019 4.367 4.350 -0.003 0.000 0.312 611 T C 0.761 175.641 174.700 0.299 0.000 1.071 611 T CA -0.216 62.031 62.100 0.245 0.000 1.128 611 T CB 0.526 69.514 68.868 0.201 0.000 0.984 611 T HN 0.372 nan 8.240 nan 0.000 0.549 612 Q N 1.829 121.746 119.800 0.195 0.000 2.472 612 Q HA 0.025 4.363 4.340 -0.003 0.000 0.208 612 Q C 2.128 178.180 176.000 0.087 0.000 0.958 612 Q CA 1.255 57.140 55.803 0.137 0.000 0.932 612 Q CB -0.250 28.568 28.738 0.133 0.000 1.007 612 Q HN 1.041 nan 8.270 nan 0.000 0.508 613 T N -4.805 109.813 114.554 0.107 0.000 3.014 613 T HA 0.375 4.723 4.350 -0.003 0.000 0.250 613 T C 1.344 176.091 174.700 0.077 0.000 1.060 613 T CA 0.680 62.822 62.100 0.070 0.000 1.040 613 T CB 0.693 69.598 68.868 0.062 0.000 0.971 613 T HN 0.304 nan 8.240 nan 0.000 0.497 614 G N 1.416 110.308 108.800 0.154 0.000 2.184 614 G HA2 -0.180 3.778 3.960 -0.003 0.000 0.206 614 G HA3 -0.180 3.778 3.960 -0.003 0.000 0.206 614 G C 0.185 175.198 174.900 0.188 0.000 0.995 614 G CA -0.378 44.835 45.100 0.188 0.000 0.651 614 G HN 0.618 nan 8.290 nan 0.000 0.511 615 R N -0.254 120.349 120.500 0.173 0.000 2.637 615 R HA 0.650 4.988 4.340 -0.003 0.000 0.269 615 R C 0.755 177.178 176.300 0.206 0.000 1.089 615 R CA -0.261 55.951 56.100 0.188 0.000 1.177 615 R CB 0.444 30.841 30.300 0.162 0.000 1.091 615 R HN 0.259 nan 8.270 nan 0.000 0.540 616 L N 0.251 121.609 121.223 0.226 0.000 2.431 616 L HA 0.387 4.725 4.340 -0.003 0.000 0.260 616 L C 0.397 177.438 176.870 0.285 0.000 1.098 616 L CA -0.436 54.523 54.840 0.198 0.000 0.800 616 L CB 1.515 43.652 42.059 0.129 0.000 1.210 616 L HN 0.733 nan 8.230 nan 0.000 0.465 617 S N -0.677 115.183 115.700 0.266 0.000 2.632 617 S HA 0.708 5.176 4.470 -0.003 0.000 0.289 617 S C -0.801 173.952 174.600 0.254 0.000 1.115 617 S CA -0.741 57.612 58.200 0.254 0.000 0.889 617 S CB 1.992 65.298 63.200 0.178 0.000 1.116 617 S HN 0.524 nan 8.310 nan 0.000 0.486 618 S N 0.575 116.373 115.700 0.163 0.000 2.547 618 S HA 0.828 5.296 4.470 -0.003 0.000 0.281 618 S C -0.897 173.698 174.600 -0.008 0.000 1.118 618 S CA -0.238 57.970 58.200 0.013 0.000 0.947 618 S CB 1.203 64.399 63.200 -0.007 0.000 1.053 618 S HN 1.384 nan 8.310 nan 0.000 0.482 619 T N 0.543 115.056 114.554 -0.068 0.000 2.883 619 T HA 0.624 4.972 4.350 -0.003 0.000 0.301 619 T C -0.485 174.184 174.700 -0.053 0.000 1.158 619 T CA -0.681 61.398 62.100 -0.034 0.000 1.007 619 T CB 1.304 70.162 68.868 -0.017 0.000 1.186 619 T HN 0.727 nan 8.240 nan 0.000 0.499 620 E N 1.583 121.766 120.200 -0.027 0.000 2.222 620 E HA -0.128 4.220 4.350 -0.003 0.000 0.189 620 E C -2.380 174.208 176.600 -0.019 0.000 1.415 620 E CA 0.103 56.489 56.400 -0.024 0.000 0.689 620 E CB -0.498 29.182 29.700 -0.033 0.000 1.107 620 E HN 0.597 nan 8.360 nan 0.000 0.350 621 P HA 0.127 nan 4.420 nan 0.000 0.285 621 P C -0.694 176.619 177.300 0.022 0.000 1.285 621 P CA -0.643 62.473 63.100 0.027 0.000 0.854 621 P CB 0.790 32.541 31.700 0.085 0.000 1.180 622 N N 0.971 119.703 118.700 0.053 0.000 2.401 622 N HA 0.104 4.842 4.740 -0.003 0.000 0.255 622 N C 0.283 175.872 175.510 0.133 0.000 1.110 622 N CA -0.013 53.080 53.050 0.072 0.000 0.949 622 N CB -0.601 37.942 38.487 0.093 0.000 1.110 622 N HN 0.299 nan 8.380 nan 0.000 0.490 623 L N 2.571 123.856 121.223 0.104 0.000 2.685 623 L HA 0.187 4.525 4.340 -0.003 0.000 0.233 623 L C 1.090 178.080 176.870 0.200 0.000 1.173 623 L CA 0.133 55.069 54.840 0.160 0.000 0.961 623 L CB 0.026 42.142 42.059 0.095 0.000 1.217 623 L HN 0.544 nan 8.230 nan 0.000 0.478 624 Q N 0.668 120.572 119.800 0.173 0.000 2.247 624 Q HA 0.087 4.425 4.340 -0.003 0.000 0.204 624 Q C 0.370 176.476 176.000 0.178 0.000 0.872 624 Q CA 0.013 55.908 55.803 0.153 0.000 0.951 624 Q CB 0.407 29.194 28.738 0.081 0.000 1.099 624 Q HN 0.447 nan 8.270 nan 0.000 0.501 625 N N -0.358 118.453 118.700 0.185 0.000 2.466 625 N HA 0.069 4.807 4.740 -0.003 0.000 0.272 625 N C -0.606 174.968 175.510 0.106 0.000 1.455 625 N CA -0.226 52.925 53.050 0.168 0.000 0.875 625 N CB 0.343 38.959 38.487 0.216 0.000 1.372 625 N HN -0.070 nan 8.380 nan 0.000 0.492 626 I N 1.567 122.132 120.570 -0.009 0.000 2.556 626 I HA 0.258 4.426 4.170 -0.003 0.000 0.284 626 I C -1.789 174.069 176.117 -0.431 0.000 1.114 626 I CA -1.866 59.274 61.300 -0.266 0.000 1.418 626 I CB -0.107 37.689 38.000 -0.339 0.000 1.394 626 I HN -0.074 nan 8.210 nan 0.000 0.552 627 P HA 0.077 nan 4.420 nan 0.000 0.266 627 P C 0.608 177.717 177.300 -0.320 0.000 1.186 627 P CA 0.517 63.362 63.100 -0.426 0.000 0.767 627 P CB 1.046 32.470 31.700 -0.459 0.000 0.820 628 I N 1.080 121.517 120.570 -0.223 0.000 5.347 628 I HA 0.060 4.228 4.170 -0.003 0.000 0.346 628 I C 1.687 177.722 176.117 -0.137 0.000 1.177 628 I CA -0.031 61.145 61.300 -0.206 0.000 1.553 628 I CB 0.294 38.154 38.000 -0.233 0.000 1.757 628 I HN 0.090 nan 8.210 nan 0.000 0.603 629 R N 1.105 121.545 120.500 -0.101 0.000 2.081 629 R HA 0.067 4.405 4.340 -0.003 0.000 0.235 629 R C 0.200 176.465 176.300 -0.058 0.000 1.131 629 R CA 1.064 57.123 56.100 -0.068 0.000 0.960 629 R CB -0.117 30.156 30.300 -0.045 0.000 0.856 629 R HN 0.248 nan 8.270 nan 0.000 0.436 630 L N 0.915 122.106 121.223 -0.054 0.000 2.296 630 L HA 0.162 4.500 4.340 -0.003 0.000 0.286 630 L C 1.153 178.007 176.870 -0.028 0.000 1.023 630 L CA -0.590 54.230 54.840 -0.034 0.000 0.812 630 L CB 1.770 43.818 42.059 -0.019 0.000 1.223 630 L HN -0.068 nan 8.230 nan 0.000 0.421 631 E N 2.515 122.707 120.200 -0.012 0.000 2.108 631 E HA -0.284 4.064 4.350 -0.003 0.000 0.203 631 E C 1.740 178.359 176.600 0.032 0.000 1.022 631 E CA 2.261 58.673 56.400 0.020 0.000 0.823 631 E CB 0.184 29.898 29.700 0.023 0.000 0.744 631 E HN 0.670 nan 8.360 nan 0.000 0.456 632 E N -0.819 119.391 120.200 0.016 0.000 2.110 632 E HA -0.149 4.199 4.350 -0.003 0.000 0.193 632 E C 2.219 178.816 176.600 -0.004 0.000 0.988 632 E CA 1.397 57.805 56.400 0.013 0.000 0.804 632 E CB -0.857 28.862 29.700 0.031 0.000 0.745 632 E HN 0.365 nan 8.360 nan 0.000 0.458 633 G N 1.361 110.148 108.800 -0.023 0.000 2.430 633 G HA2 -0.232 3.726 3.960 -0.003 0.000 0.216 633 G HA3 -0.232 3.726 3.960 -0.003 0.000 0.216 633 G C 1.766 176.612 174.900 -0.089 0.000 1.146 633 G CA 0.451 45.509 45.100 -0.070 0.000 0.793 633 G HN 0.250 nan 8.290 nan 0.000 0.537 634 R N 0.536 121.009 120.500 -0.044 0.000 2.120 634 R HA -0.059 4.279 4.340 -0.003 0.000 0.234 634 R C 2.203 178.585 176.300 0.137 0.000 1.123 634 R CA 1.056 57.154 56.100 -0.002 0.000 0.975 634 R CB -0.032 30.285 30.300 0.029 0.000 0.866 634 R HN 0.075 nan 8.270 nan 0.000 0.446 635 K N 0.627 121.066 120.400 0.065 0.000 2.211 635 K HA -0.151 4.167 4.320 -0.003 0.000 0.204 635 K C 1.914 178.488 176.600 -0.044 0.000 1.047 635 K CA 0.804 57.036 56.287 -0.091 0.000 0.935 635 K CB -0.249 32.183 32.500 -0.113 0.000 0.728 635 K HN 0.288 nan 8.250 nan 0.000 0.452 636 I N 1.255 121.828 120.570 0.005 0.000 2.248 636 I HA -0.275 3.894 4.170 -0.003 0.000 0.248 636 I C 2.080 178.315 176.117 0.198 0.000 1.107 636 I CA 1.339 62.683 61.300 0.073 0.000 1.373 636 I CB -0.783 37.243 38.000 0.043 0.000 1.055 636 I HN 0.214 nan 8.210 nan 0.000 0.418 637 R N 0.415 120.998 120.500 0.139 0.000 2.241 637 R HA -0.154 4.184 4.340 -0.003 0.000 0.224 637 R C 1.986 178.510 176.300 0.372 0.000 1.101 637 R CA 0.658 56.897 56.100 0.232 0.000 0.995 637 R CB -0.238 29.986 30.300 -0.127 0.000 0.870 637 R HN 0.575 nan 8.270 nan 0.000 0.463 638 Q N -0.085 119.823 119.800 0.180 0.000 2.364 638 Q HA -0.034 4.304 4.340 -0.003 0.000 0.207 638 Q C 1.812 177.892 176.000 0.133 0.000 0.970 638 Q CA 1.090 56.950 55.803 0.095 0.000 0.888 638 Q CB 0.111 28.761 28.738 -0.147 0.000 0.951 638 Q HN 0.338 nan 8.270 nan 0.000 0.469 639 A N 0.155 123.072 122.820 0.162 0.000 2.123 639 A HA 0.032 4.350 4.320 -0.003 0.000 0.214 639 A C 0.152 177.702 177.584 -0.056 0.000 1.152 639 A CA 0.210 52.256 52.037 0.015 0.000 0.728 639 A CB 0.098 19.045 19.000 -0.089 0.000 0.814 639 A HN 0.163 nan 8.150 nan 0.000 0.464 640 F N 0.499 120.563 119.950 0.190 0.000 2.391 640 F HA 0.466 4.991 4.527 -0.003 0.000 0.359 640 F C 0.343 176.251 175.800 0.179 0.000 1.122 640 F CA -0.731 57.395 58.000 0.210 0.000 1.120 640 F CB 1.355 40.586 39.000 0.385 0.000 1.142 640 F HN 0.059 nan 8.300 nan 0.000 0.483 641 V N 1.490 121.531 119.914 0.210 0.000 3.113 641 V HA 0.759 4.877 4.120 -0.003 0.000 0.316 641 V C -2.852 173.318 176.094 0.127 0.000 1.125 641 V CA -3.268 59.130 62.300 0.162 0.000 1.026 641 V CB 1.860 33.738 31.823 0.093 0.000 1.080 641 V HN 0.340 nan 8.190 nan 0.000 0.444 642 P HA 0.217 nan 4.420 nan 0.000 0.272 642 P C 0.698 178.010 177.300 0.019 0.000 1.223 642 P CA 0.221 63.399 63.100 0.130 0.000 0.784 642 P CB 0.800 32.629 31.700 0.215 0.000 0.923 643 S N -0.023 115.640 115.700 -0.062 0.000 2.562 643 S HA 0.045 4.513 4.470 -0.003 0.000 0.221 643 S C 0.354 174.770 174.600 -0.307 0.000 0.975 643 S CA 0.394 58.492 58.200 -0.170 0.000 0.918 643 S CB -0.409 62.684 63.200 -0.178 0.000 0.772 643 S HN 0.468 nan 8.310 nan 0.000 0.531 644 E N 1.359 121.304 120.200 -0.425 0.000 2.367 644 E HA 0.417 4.765 4.350 -0.003 0.000 0.273 644 E C -1.046 175.431 176.600 -0.206 0.000 0.903 644 E CA -0.780 55.315 56.400 -0.509 0.000 0.764 644 E CB 2.183 31.174 29.700 -1.182 0.000 1.252 644 E HN 0.359 nan 8.360 nan 0.000 0.446 645 S N 1.355 116.999 115.700 -0.092 0.000 2.562 645 S HA 0.082 4.550 4.470 -0.003 0.000 0.281 645 S C 0.153 174.854 174.600 0.169 0.000 1.333 645 S CA -0.343 57.880 58.200 0.038 0.000 1.052 645 S CB 0.404 63.619 63.200 0.024 0.000 0.884 645 S HN 0.672 nan 8.310 nan 0.000 0.506 646 D N -0.609 119.903 120.400 0.186 0.000 3.041 646 D HA -0.122 4.516 4.640 -0.003 0.000 0.220 646 D C -1.055 175.435 176.300 0.315 0.000 1.157 646 D CA 1.233 55.360 54.000 0.212 0.000 0.876 646 D CB -1.455 39.449 40.800 0.172 0.000 1.107 646 D HN 0.654 nan 8.370 nan 0.000 0.422 647 W N 0.099 121.403 121.300 0.007 0.000 2.576 647 W HA 0.739 5.397 4.660 -0.003 0.000 0.360 647 W C 0.476 177.010 176.519 0.025 0.000 1.109 647 W CA -0.408 56.933 57.345 -0.007 0.000 1.237 647 W CB 0.814 30.261 29.460 -0.022 0.000 1.369 647 W HN -0.181 nan 8.180 nan 0.000 0.609 648 L N 2.787 124.129 121.223 0.197 0.000 2.359 648 L HA 0.483 4.821 4.340 -0.003 0.000 0.256 648 L C -0.732 176.256 176.870 0.197 0.000 1.026 648 L CA -1.340 53.614 54.840 0.191 0.000 0.828 648 L CB 1.774 43.932 42.059 0.166 0.000 1.406 648 L HN -0.001 nan 8.230 nan 0.000 0.413 649 I N 1.546 122.254 120.570 0.230 0.000 2.365 649 I HA 0.256 4.424 4.170 -0.003 0.000 0.291 649 I C -0.627 175.660 176.117 0.283 0.000 1.004 649 I CA 0.041 61.470 61.300 0.214 0.000 1.311 649 I CB 0.919 39.039 38.000 0.200 0.000 1.401 649 I HN 0.320 nan 8.210 nan 0.000 0.491 650 F N 6.038 126.044 119.950 0.092 0.000 2.477 650 F HA 0.712 5.237 4.527 -0.003 0.000 0.335 650 F C -0.338 175.520 175.800 0.095 0.000 1.130 650 F CA -0.635 57.440 58.000 0.125 0.000 0.948 650 F CB 1.424 40.437 39.000 0.022 0.000 1.154 650 F HN 0.493 nan 8.300 nan 0.000 0.439 651 A N 4.789 127.545 122.820 -0.107 0.000 2.330 651 A HA 0.902 5.220 4.320 -0.003 0.000 0.313 651 A C -1.371 176.168 177.584 -0.075 0.000 1.124 651 A CA -0.303 51.749 52.037 0.025 0.000 0.774 651 A CB 0.841 19.929 19.000 0.147 0.000 1.198 651 A HN 1.183 nan 8.150 nan 0.000 0.465 652 A N 3.145 126.001 122.820 0.061 0.000 2.356 652 A HA 0.770 5.088 4.320 -0.003 0.000 0.310 652 A C -1.057 176.524 177.584 -0.004 0.000 1.075 652 A CA -0.527 51.536 52.037 0.044 0.000 0.746 652 A CB 0.942 20.029 19.000 0.144 0.000 1.221 652 A HN 0.901 nan 8.150 nan 0.000 0.443 653 D N 1.273 121.659 120.400 -0.022 0.000 2.738 653 D HA 0.397 5.035 4.640 -0.003 0.000 0.237 653 D C -1.338 174.941 176.300 -0.035 0.000 1.123 653 D CA -0.358 53.638 54.000 -0.007 0.000 0.856 653 D CB 0.904 41.752 40.800 0.080 0.000 1.552 653 D HN 0.338 nan 8.370 nan 0.000 0.480 654 Y N 0.514 120.843 120.300 0.049 0.000 2.425 654 Y HA 0.180 4.728 4.550 -0.003 0.000 0.331 654 Y C 1.363 177.276 175.900 0.021 0.000 1.157 654 Y CA 0.115 58.228 58.100 0.021 0.000 1.372 654 Y CB 1.177 39.636 38.460 -0.002 0.000 1.253 654 Y HN 0.310 nan 8.280 nan 0.000 0.536 655 S N 4.704 120.510 115.700 0.177 0.000 2.411 655 S HA 0.127 4.595 4.470 -0.003 0.000 0.294 655 S C -0.371 174.272 174.600 0.071 0.000 1.115 655 S CA -0.681 57.587 58.200 0.113 0.000 1.071 655 S CB -0.095 63.159 63.200 0.090 0.000 0.967 655 S HN 0.707 nan 8.310 nan 0.000 0.488 656 Q N 2.813 122.657 119.800 0.073 0.000 2.452 656 Q HA -0.221 4.117 4.340 -0.003 0.000 0.318 656 Q C 0.639 176.570 176.000 -0.115 0.000 1.386 656 Q CA 0.742 56.559 55.803 0.024 0.000 0.872 656 Q CB -2.203 26.595 28.738 0.100 0.000 1.151 656 Q HN 0.917 nan 8.270 nan 0.000 0.417 657 I N -0.708 119.808 120.570 -0.090 0.000 2.286 657 I HA -0.273 3.895 4.170 -0.003 0.000 0.248 657 I C 2.035 178.012 176.117 -0.234 0.000 1.115 657 I CA 1.533 62.701 61.300 -0.220 0.000 1.392 657 I CB 0.231 38.051 38.000 -0.300 0.000 1.065 657 I HN 0.355 nan 8.210 nan 0.000 0.418 658 E N 0.570 120.673 120.200 -0.161 0.000 2.051 658 E HA -0.233 4.115 4.350 -0.003 0.000 0.192 658 E C 2.258 178.763 176.600 -0.158 0.000 0.991 658 E CA 1.401 57.702 56.400 -0.164 0.000 0.799 658 E CB -0.180 29.419 29.700 -0.168 0.000 0.748 658 E HN 0.532 nan 8.360 nan 0.000 0.449 659 L N 0.409 121.563 121.223 -0.114 0.000 2.141 659 L HA -0.128 4.211 4.340 -0.003 0.000 0.209 659 L C 2.535 179.324 176.870 -0.135 0.000 1.094 659 L CA 0.854 55.685 54.840 -0.014 0.000 0.763 659 L CB -0.205 41.990 42.059 0.228 0.000 0.908 659 L HN 0.044 nan 8.230 nan 0.000 0.437 660 R N -0.795 119.393 120.500 -0.521 0.000 2.075 660 R HA -0.098 4.240 4.340 -0.003 0.000 0.232 660 R C 2.261 178.384 176.300 -0.296 0.000 1.126 660 R CA 0.960 56.633 56.100 -0.711 0.000 0.963 660 R CB -0.345 29.483 30.300 -0.787 0.000 0.858 660 R HN 0.127 nan 8.270 nan 0.000 0.435 661 V N 1.417 121.183 119.914 -0.248 0.000 2.343 661 V HA -0.228 3.890 4.120 -0.003 0.000 0.247 661 V C 2.146 178.171 176.094 -0.116 0.000 1.051 661 V CA 1.518 63.717 62.300 -0.168 0.000 1.036 661 V CB -0.410 31.304 31.823 -0.183 0.000 0.654 661 V HN 0.259 nan 8.190 nan 0.000 0.451 662 L N 0.995 122.136 121.223 -0.136 0.000 2.046 662 L HA -0.052 4.286 4.340 -0.003 0.000 0.208 662 L C 2.427 179.229 176.870 -0.115 0.000 1.077 662 L CA 2.365 57.109 54.840 -0.160 0.000 0.747 662 L CB -1.000 40.998 42.059 -0.102 0.000 0.896 662 L HN 0.205 nan 8.230 nan 0.000 0.432 663 A N -1.217 121.597 122.820 -0.010 0.000 1.902 663 A HA -0.307 4.011 4.320 -0.003 0.000 0.217 663 A C 2.282 179.873 177.584 0.012 0.000 1.181 663 A CA 1.863 53.936 52.037 0.059 0.000 0.623 663 A CB -1.064 18.059 19.000 0.205 0.000 0.818 663 A HN 0.759 nan 8.150 nan 0.000 0.443 664 H N -0.169 118.845 119.070 -0.094 0.000 2.299 664 H HA -0.006 4.548 4.556 -0.003 0.000 0.302 664 H C 1.739 176.994 175.328 -0.121 0.000 1.078 664 H CA 2.079 58.069 56.048 -0.097 0.000 1.323 664 H CB -0.243 29.448 29.762 -0.118 0.000 1.381 664 H HN 0.400 nan 8.280 nan 0.000 0.498 665 I N 0.134 120.575 120.570 -0.216 0.000 2.315 665 I HA -0.174 3.994 4.170 -0.003 0.000 0.248 665 I C 2.489 178.389 176.117 -0.362 0.000 1.117 665 I CA 1.077 62.181 61.300 -0.326 0.000 1.404 665 I CB -0.332 37.445 38.000 -0.371 0.000 1.071 665 I HN 0.436 nan 8.210 nan 0.000 0.419 666 A N -0.378 122.225 122.820 -0.362 0.000 2.132 666 A HA -0.036 4.282 4.320 -0.003 0.000 0.213 666 A C 1.057 178.604 177.584 -0.062 0.000 1.154 666 A CA 0.174 52.104 52.037 -0.179 0.000 0.753 666 A CB -0.252 18.687 19.000 -0.103 0.000 0.826 666 A HN 0.482 nan 8.150 nan 0.000 0.469 667 E N 0.555 120.696 120.200 -0.098 0.000 2.297 667 E HA -0.185 4.163 4.350 -0.003 0.000 0.228 667 E C -0.659 175.946 176.600 0.008 0.000 1.213 667 E CA 0.623 56.989 56.400 -0.058 0.000 0.712 667 E CB -1.273 28.384 29.700 -0.072 0.000 1.202 667 E HN 0.715 nan 8.360 nan 0.000 0.376 668 D N 0.647 121.074 120.400 0.044 0.000 2.325 668 D HA -0.005 4.633 4.640 -0.003 0.000 0.251 668 D C 0.802 177.156 176.300 0.091 0.000 1.196 668 D CA -0.213 53.845 54.000 0.096 0.000 0.866 668 D CB 0.735 41.638 40.800 0.172 0.000 1.101 668 D HN 0.047 nan 8.370 nan 0.000 0.476 669 D N 3.467 123.902 120.400 0.059 0.000 2.123 669 D HA -0.208 4.430 4.640 -0.003 0.000 0.196 669 D C 1.467 177.794 176.300 0.046 0.000 0.992 669 D CA 1.024 55.048 54.000 0.039 0.000 0.833 669 D CB 0.091 40.898 40.800 0.012 0.000 0.954 669 D HN 0.479 nan 8.370 nan 0.000 0.455 670 N N 0.392 119.117 118.700 0.043 0.000 2.106 670 N HA -0.125 4.613 4.740 -0.003 0.000 0.188 670 N C 1.731 177.327 175.510 0.142 0.000 1.029 670 N CA 0.506 53.567 53.050 0.018 0.000 0.848 670 N CB -0.345 38.040 38.487 -0.170 0.000 1.007 670 N HN 0.034 nan 8.380 nan 0.000 0.423 671 L N 0.416 121.809 121.223 0.283 0.000 2.056 671 L HA 0.062 4.400 4.340 -0.003 0.000 0.207 671 L C 2.156 179.118 176.870 0.154 0.000 1.078 671 L CA 1.416 56.379 54.840 0.205 0.000 0.749 671 L CB -0.486 41.661 42.059 0.147 0.000 0.901 671 L HN 0.274 nan 8.230 nan 0.000 0.433 672 M N -1.164 118.532 119.600 0.161 0.000 2.117 672 M HA -0.208 4.270 4.480 -0.003 0.000 0.262 672 M C 2.170 178.547 176.300 0.128 0.000 1.065 672 M CA 1.872 57.273 55.300 0.168 0.000 1.114 672 M CB -0.444 32.220 32.600 0.107 0.000 1.361 672 M HN 0.223 nan 8.290 nan 0.000 0.408 673 E N 0.899 121.143 120.200 0.072 0.000 2.110 673 E HA -0.144 4.204 4.350 -0.003 0.000 0.193 673 E C 1.814 178.423 176.600 0.014 0.000 0.988 673 E CA 1.819 58.242 56.400 0.039 0.000 0.804 673 E CB -0.155 29.552 29.700 0.013 0.000 0.745 673 E HN 0.396 nan 8.360 nan 0.000 0.458 674 A N -0.236 122.564 122.820 -0.032 0.000 1.883 674 A HA -0.149 4.169 4.320 -0.003 0.000 0.217 674 A C 2.027 179.511 177.584 -0.166 0.000 1.186 674 A CA 1.609 53.557 52.037 -0.149 0.000 0.624 674 A CB -0.945 17.889 19.000 -0.276 0.000 0.822 674 A HN 0.377 nan 8.150 nan 0.000 0.444 675 F N -0.392 119.566 119.950 0.014 0.000 2.325 675 F HA 0.034 4.560 4.527 -0.003 0.000 0.299 675 F C 2.438 178.242 175.800 0.008 0.000 1.090 675 F CA 1.037 59.039 58.000 0.003 0.000 1.392 675 F CB -0.294 38.704 39.000 -0.003 0.000 1.053 675 F HN 0.106 nan 8.300 nan 0.000 0.521 676 R N -0.132 120.472 120.500 0.173 0.000 2.148 676 R HA -0.039 4.299 4.340 -0.003 0.000 0.227 676 R C 1.768 178.111 176.300 0.072 0.000 1.103 676 R CA 0.859 57.022 56.100 0.106 0.000 0.983 676 R CB -0.158 30.188 30.300 0.076 0.000 0.874 676 R HN 0.219 nan 8.270 nan 0.000 0.451 677 R N 0.263 120.795 120.500 0.052 0.000 2.317 677 R HA -0.008 4.331 4.340 -0.003 0.000 0.208 677 R C -0.168 176.153 176.300 0.034 0.000 0.914 677 R CA 0.123 56.239 56.100 0.028 0.000 1.060 677 R CB 0.140 30.442 30.300 0.002 0.000 1.015 677 R HN 0.043 nan 8.270 nan 0.000 0.498 678 D N 1.191 121.633 120.400 0.070 0.000 2.686 678 D HA -0.174 4.464 4.640 -0.003 0.000 0.235 678 D C -0.727 175.592 176.300 0.033 0.000 1.160 678 D CA 0.551 54.605 54.000 0.090 0.000 0.645 678 D CB -0.943 39.904 40.800 0.078 0.000 1.039 678 D HN 0.194 nan 8.370 nan 0.000 0.423 679 L N -0.046 121.161 121.223 -0.027 0.000 2.466 679 L HA 0.211 4.549 4.340 -0.003 0.000 0.257 679 L C 1.224 178.048 176.870 -0.077 0.000 1.189 679 L CA -0.420 54.384 54.840 -0.060 0.000 0.813 679 L CB 0.344 42.343 42.059 -0.099 0.000 1.118 679 L HN 0.132 nan 8.230 nan 0.000 0.471 680 D N 1.326 121.692 120.400 -0.057 0.000 2.346 680 D HA -0.020 4.618 4.640 -0.003 0.000 0.260 680 D C 0.782 177.005 176.300 -0.128 0.000 1.252 680 D CA -0.151 53.814 54.000 -0.058 0.000 0.895 680 D CB 1.095 41.889 40.800 -0.010 0.000 1.097 680 D HN 0.394 nan 8.370 nan 0.000 0.489 681 I N 5.506 125.931 120.570 -0.242 0.000 2.361 681 I HA -0.246 3.922 4.170 -0.003 0.000 0.251 681 I C 1.757 177.740 176.117 -0.222 0.000 1.133 681 I CA 1.447 62.544 61.300 -0.339 0.000 1.413 681 I CB -0.231 37.503 38.000 -0.444 0.000 1.073 681 I HN 0.492 nan 8.210 nan 0.000 0.424 682 H N -0.654 118.417 119.070 0.001 0.000 2.395 682 H HA 0.018 4.572 4.556 -0.003 0.000 0.299 682 H C 2.192 177.535 175.328 0.024 0.000 1.070 682 H CA 1.761 57.822 56.048 0.020 0.000 1.356 682 H CB -0.898 28.883 29.762 0.033 0.000 1.401 682 H HN 0.278 nan 8.280 nan 0.000 0.524 683 T N 1.198 115.820 114.554 0.114 0.000 2.777 683 T HA -0.128 4.220 4.350 -0.003 0.000 0.266 683 T C 2.106 176.837 174.700 0.052 0.000 1.040 683 T CA 1.674 63.821 62.100 0.078 0.000 1.141 683 T CB 0.085 68.981 68.868 0.047 0.000 0.868 683 T HN 0.171 nan 8.240 nan 0.000 0.444 684 K N 1.285 121.693 120.400 0.014 0.000 2.057 684 K HA -0.055 4.263 4.320 -0.003 0.000 0.207 684 K C 2.199 178.826 176.600 0.045 0.000 1.049 684 K CA 1.674 57.962 56.287 0.003 0.000 0.931 684 K CB -0.924 31.548 32.500 -0.046 0.000 0.714 684 K HN 0.217 nan 8.250 nan 0.000 0.440 685 T N 0.379 114.984 114.554 0.085 0.000 2.746 685 T HA -0.066 4.282 4.350 -0.003 0.000 0.267 685 T C 1.818 176.529 174.700 0.018 0.000 1.039 685 T CA 1.358 63.543 62.100 0.141 0.000 1.142 685 T CB -0.486 68.484 68.868 0.170 0.000 0.866 685 T HN 0.396 nan 8.240 nan 0.000 0.444 686 A N 1.402 124.246 122.820 0.040 0.000 1.902 686 A HA -0.042 4.276 4.320 -0.003 0.000 0.217 686 A C 2.336 179.974 177.584 0.090 0.000 1.181 686 A CA 1.476 53.557 52.037 0.074 0.000 0.623 686 A CB -0.697 18.447 19.000 0.240 0.000 0.818 686 A HN 0.446 nan 8.150 nan 0.000 0.443 687 M N -0.492 119.148 119.600 0.066 0.000 2.108 687 M HA -0.188 4.290 4.480 -0.003 0.000 0.261 687 M C 1.521 177.813 176.300 -0.013 0.000 1.066 687 M CA 1.834 57.161 55.300 0.044 0.000 1.107 687 M CB -0.519 32.090 32.600 0.014 0.000 1.356 687 M HN 0.332 nan 8.290 nan 0.000 0.406 688 D N 0.466 120.819 120.400 -0.078 0.000 2.091 688 D HA -0.074 4.564 4.640 -0.003 0.000 0.199 688 D C 1.891 178.085 176.300 -0.176 0.000 0.980 688 D CA 1.373 55.277 54.000 -0.160 0.000 0.831 688 D CB -0.438 40.186 40.800 -0.292 0.000 0.987 688 D HN 0.530 nan 8.370 nan 0.000 0.460 689 I N -2.401 118.017 120.570 -0.253 0.000 2.394 689 I HA -0.119 4.049 4.170 -0.003 0.000 0.251 689 I C 1.208 177.124 176.117 -0.335 0.000 1.136 689 I CA 1.239 62.327 61.300 -0.354 0.000 1.425 689 I CB -0.335 37.333 38.000 -0.553 0.000 1.079 689 I HN -0.226 nan 8.210 nan 0.000 0.425 690 F N 1.482 121.434 119.950 0.003 0.000 2.695 690 F HA 0.311 4.836 4.527 -0.003 0.000 0.303 690 F C 0.631 176.435 175.800 0.007 0.000 1.091 690 F CA -0.749 57.260 58.000 0.015 0.000 1.300 690 F CB -0.658 38.342 39.000 -0.001 0.000 1.071 690 F HN 0.131 nan 8.300 nan 0.000 0.578 691 Q N 0.898 120.763 119.800 0.108 0.000 2.448 691 Q HA -0.115 4.223 4.340 -0.003 0.000 0.356 691 Q C -0.741 175.300 176.000 0.069 0.000 1.430 691 Q CA 0.476 56.313 55.803 0.057 0.000 1.011 691 Q CB -1.622 27.143 28.738 0.044 0.000 1.203 691 Q HN 0.325 nan 8.270 nan 0.000 0.351 692 V N -3.162 116.794 119.914 0.070 0.000 3.159 692 V HA 0.843 4.961 4.120 -0.003 0.000 0.308 692 V C 0.360 176.475 176.094 0.035 0.000 1.190 692 V CA -0.496 61.837 62.300 0.055 0.000 1.037 692 V CB 2.157 34.022 31.823 0.070 0.000 1.060 692 V HN 0.405 nan 8.190 nan 0.000 0.437 693 S N -0.235 115.478 115.700 0.022 0.000 2.624 693 S HA 0.299 4.767 4.470 -0.003 0.000 0.263 693 S C 0.942 175.552 174.600 0.017 0.000 1.287 693 S CA 0.583 58.790 58.200 0.012 0.000 0.990 693 S CB 1.020 64.223 63.200 0.006 0.000 0.950 693 S HN 1.070 nan 8.310 nan 0.000 0.561 694 E N 0.970 121.176 120.200 0.011 0.000 2.085 694 E HA -0.256 4.092 4.350 -0.003 0.000 0.194 694 E C 1.456 178.064 176.600 0.014 0.000 0.994 694 E CA 1.732 58.140 56.400 0.014 0.000 0.801 694 E CB -0.312 29.392 29.700 0.006 0.000 0.743 694 E HN 0.870 nan 8.360 nan 0.000 0.453 695 D N -0.022 120.383 120.400 0.008 0.000 2.310 695 D HA -0.181 4.457 4.640 -0.003 0.000 0.212 695 D C 1.054 177.358 176.300 0.005 0.000 0.965 695 D CA 0.784 54.787 54.000 0.005 0.000 0.879 695 D CB -0.260 40.541 40.800 0.002 0.000 0.921 695 D HN 0.364 nan 8.370 nan 0.000 0.510 696 E N 0.230 120.436 120.200 0.009 0.000 2.478 696 E HA 0.076 4.424 4.350 -0.003 0.000 0.194 696 E C 0.169 176.774 176.600 0.008 0.000 1.045 696 E CA -0.146 56.258 56.400 0.007 0.000 0.868 696 E CB 0.896 30.603 29.700 0.012 0.000 0.885 696 E HN 0.096 nan 8.360 nan 0.000 0.505 697 V N 3.252 123.179 119.914 0.021 0.000 2.439 697 V HA -0.001 4.118 4.120 -0.003 0.000 0.271 697 V C 0.753 176.850 176.094 0.005 0.000 1.040 697 V CA 0.014 62.332 62.300 0.030 0.000 1.002 697 V CB 0.451 32.308 31.823 0.056 0.000 1.000 697 V HN 0.224 nan 8.190 nan 0.000 0.477 698 T N 3.768 118.309 114.554 -0.023 0.000 2.874 698 T HA 0.352 4.700 4.350 -0.003 0.000 0.281 698 T C -1.672 173.014 174.700 -0.025 0.000 0.994 698 T CA -1.833 60.247 62.100 -0.033 0.000 1.015 698 T CB 1.491 70.322 68.868 -0.061 0.000 1.028 698 T HN 0.351 nan 8.240 nan 0.000 0.523 699 P HA -0.095 nan 4.420 nan 0.000 0.215 699 P C 1.485 178.770 177.300 -0.025 0.000 1.157 699 P CA 0.987 64.076 63.100 -0.018 0.000 0.874 699 P CB -0.045 31.643 31.700 -0.020 0.000 0.790 700 N N -1.302 117.372 118.700 -0.043 0.000 2.166 700 N HA -0.120 4.619 4.740 -0.003 0.000 0.186 700 N C 1.649 177.121 175.510 -0.063 0.000 1.019 700 N CA 1.310 54.330 53.050 -0.051 0.000 0.856 700 N CB -0.606 37.844 38.487 -0.062 0.000 0.993 700 N HN 0.032 nan 8.380 nan 0.000 0.426 701 M N -0.383 119.157 119.600 -0.099 0.000 2.117 701 M HA -0.129 4.349 4.480 -0.003 0.000 0.262 701 M C 2.300 178.674 176.300 0.123 0.000 1.065 701 M CA 1.295 56.536 55.300 -0.098 0.000 1.114 701 M CB -0.181 32.322 32.600 -0.162 0.000 1.361 701 M HN 0.141 nan 8.290 nan 0.000 0.408 702 R N 0.286 120.829 120.500 0.072 0.000 2.096 702 R HA -0.156 4.182 4.340 -0.003 0.000 0.235 702 R C 2.300 178.616 176.300 0.026 0.000 1.127 702 R CA 1.529 57.677 56.100 0.081 0.000 0.968 702 R CB -0.191 30.146 30.300 0.062 0.000 0.861 702 R HN 0.269 nan 8.270 nan 0.000 0.440 703 R N 0.420 120.916 120.500 -0.007 0.000 2.091 703 R HA -0.174 4.164 4.340 -0.003 0.000 0.238 703 R C 2.115 178.387 176.300 -0.046 0.000 1.136 703 R CA 2.030 58.102 56.100 -0.047 0.000 0.959 703 R CB -0.093 30.184 30.300 -0.039 0.000 0.856 703 R HN 0.396 nan 8.270 nan 0.000 0.437 704 Q N -0.620 119.177 119.800 -0.005 0.000 2.123 704 Q HA -0.058 4.280 4.340 -0.003 0.000 0.199 704 Q C 2.104 178.071 176.000 -0.054 0.000 0.966 704 Q CA 1.298 57.091 55.803 -0.016 0.000 0.845 704 Q CB 0.016 28.750 28.738 -0.006 0.000 0.907 704 Q HN 0.444 nan 8.270 nan 0.000 0.439 705 A N 1.508 124.332 122.820 0.006 0.000 1.930 705 A HA -0.208 4.110 4.320 -0.003 0.000 0.217 705 A C 1.995 179.583 177.584 0.007 0.000 1.175 705 A CA 1.483 53.507 52.037 -0.021 0.000 0.627 705 A CB -0.348 18.685 19.000 0.054 0.000 0.815 705 A HN 0.199 nan 8.150 nan 0.000 0.443 706 K N -0.184 120.170 120.400 -0.075 0.000 2.026 706 K HA -0.082 4.236 4.320 -0.003 0.000 0.208 706 K C 2.123 178.656 176.600 -0.112 0.000 1.048 706 K CA 1.239 57.343 56.287 -0.304 0.000 0.929 706 K CB -0.343 31.830 32.500 -0.546 0.000 0.713 706 K HN 0.342 nan 8.250 nan 0.000 0.439 707 A N 0.598 123.373 122.820 -0.076 0.000 1.972 707 A HA -0.095 4.223 4.320 -0.003 0.000 0.219 707 A C 2.176 179.813 177.584 0.087 0.000 1.169 707 A CA 1.521 53.555 52.037 -0.006 0.000 0.635 707 A CB -0.483 18.503 19.000 -0.024 0.000 0.810 707 A HN 0.193 nan 8.150 nan 0.000 0.446 708 V N 0.830 120.751 119.914 0.012 0.000 2.427 708 V HA -0.206 3.912 4.120 -0.003 0.000 0.248 708 V C 2.116 178.153 176.094 -0.095 0.000 1.051 708 V CA 1.932 64.204 62.300 -0.047 0.000 1.048 708 V CB -0.855 30.901 31.823 -0.112 0.000 0.666 708 V HN 0.544 nan 8.190 nan 0.000 0.456 709 N N -0.495 118.202 118.700 -0.005 0.000 2.381 709 N HA -0.111 4.627 4.740 -0.003 0.000 0.182 709 N C 1.590 177.130 175.510 0.051 0.000 1.025 709 N CA 1.102 54.154 53.050 0.004 0.000 0.888 709 N CB -0.299 38.303 38.487 0.191 0.000 0.965 709 N HN 0.503 nan 8.380 nan 0.000 0.438 710 F N 1.338 121.280 119.950 -0.014 0.000 2.098 710 F HA 0.032 4.558 4.527 -0.003 0.000 0.294 710 F C 2.342 178.199 175.800 0.096 0.000 1.107 710 F CA 1.527 59.572 58.000 0.076 0.000 1.234 710 F CB -0.696 38.381 39.000 0.128 0.000 1.002 710 F HN 0.006 nan 8.300 nan 0.000 0.472 711 G N 0.716 109.658 108.800 0.237 0.000 2.422 711 G HA2 -0.221 3.737 3.960 -0.003 0.000 0.218 711 G HA3 -0.221 3.737 3.960 -0.003 0.000 0.218 711 G C 1.679 176.559 174.900 -0.034 0.000 1.146 711 G CA 0.947 46.123 45.100 0.127 0.000 0.769 711 G HN 0.331 nan 8.290 nan 0.000 0.547 712 I N 0.840 121.307 120.570 -0.172 0.000 2.286 712 I HA -0.105 4.063 4.170 -0.003 0.000 0.248 712 I C 2.885 178.904 176.117 -0.163 0.000 1.115 712 I CA 0.740 61.895 61.300 -0.241 0.000 1.392 712 I CB -0.866 36.836 38.000 -0.498 0.000 1.065 712 I HN 0.045 nan 8.210 nan 0.000 0.418 713 V N -0.212 119.550 119.914 -0.253 0.000 2.323 713 V HA -0.249 3.869 4.120 -0.003 0.000 0.244 713 V C 1.928 177.782 176.094 -0.400 0.000 1.041 713 V CA 1.532 63.603 62.300 -0.381 0.000 1.025 713 V CB -0.729 30.715 31.823 -0.633 0.000 0.656 713 V HN 0.279 nan 8.190 nan 0.000 0.451 714 Y N 0.667 120.854 120.300 -0.188 0.000 2.462 714 Y HA 0.489 5.037 4.550 -0.003 0.000 0.293 714 Y C 1.290 177.128 175.900 -0.102 0.000 1.195 714 Y CA 0.179 58.179 58.100 -0.167 0.000 1.276 714 Y CB -0.307 38.014 38.460 -0.232 0.000 1.082 714 Y HN 0.317 nan 8.280 nan 0.000 0.514 715 G N 1.159 109.972 108.800 0.022 0.000 3.055 715 G HA2 -0.195 3.763 3.960 -0.003 0.000 0.654 715 G HA3 -0.195 3.763 3.960 -0.003 0.000 0.654 715 G C -0.671 174.261 174.900 0.053 0.000 1.134 715 G CA -0.929 44.183 45.100 0.019 0.000 1.049 715 G HN 0.172 nan 8.290 nan 0.000 0.458 716 I N 2.367 122.968 120.570 0.053 0.000 2.752 716 I HA 0.510 4.678 4.170 -0.003 0.000 0.289 716 I C 0.765 176.938 176.117 0.093 0.000 1.197 716 I CA 1.047 62.381 61.300 0.057 0.000 1.432 716 I CB 0.810 38.826 38.000 0.027 0.000 1.359 716 I HN 1.301 nan 8.210 nan 0.000 0.571 717 S N 4.057 119.814 115.700 0.095 0.000 2.547 717 S HA 0.445 4.913 4.470 -0.003 0.000 0.270 717 S C 0.139 174.782 174.600 0.073 0.000 1.150 717 S CA -0.893 57.368 58.200 0.102 0.000 0.850 717 S CB 1.257 64.544 63.200 0.144 0.000 1.118 717 S HN 0.560 nan 8.310 nan 0.000 0.461 718 D N 1.017 121.411 120.400 -0.010 0.000 2.088 718 D HA -0.068 4.570 4.640 -0.003 0.000 0.191 718 D C 1.546 177.827 176.300 -0.033 0.000 0.992 718 D CA 1.966 55.909 54.000 -0.095 0.000 0.831 718 D CB -0.639 39.991 40.800 -0.284 0.000 0.973 718 D HN 0.656 nan 8.370 nan 0.000 0.447 719 Y N 1.203 121.568 120.300 0.108 0.000 2.040 719 Y HA -0.160 4.388 4.550 -0.003 0.000 0.275 719 Y C 2.728 178.687 175.900 0.099 0.000 1.171 719 Y CA 1.418 59.577 58.100 0.099 0.000 1.123 719 Y CB -1.273 37.252 38.460 0.110 0.000 0.963 719 Y HN 0.036 nan 8.280 nan 0.000 0.493 720 G N -0.158 108.811 108.800 0.281 0.000 2.476 720 G HA2 -0.283 3.675 3.960 -0.003 0.000 0.218 720 G HA3 -0.283 3.675 3.960 -0.003 0.000 0.218 720 G C 1.711 176.719 174.900 0.180 0.000 1.164 720 G CA 1.364 46.591 45.100 0.210 0.000 0.768 720 G HN 0.338 nan 8.290 nan 0.000 0.560 721 L N 1.200 122.520 121.223 0.162 0.000 2.007 721 L HA 0.280 4.618 4.340 -0.003 0.000 0.205 721 L C 3.186 180.142 176.870 0.144 0.000 1.073 721 L CA 2.202 57.135 54.840 0.154 0.000 0.744 721 L CB -1.043 41.103 42.059 0.145 0.000 0.898 721 L HN 0.258 nan 8.230 nan 0.000 0.435 722 A N -0.867 122.028 122.820 0.124 0.000 1.896 722 A HA -0.353 3.965 4.320 -0.003 0.000 0.220 722 A C 2.332 179.983 177.584 0.113 0.000 1.206 722 A CA 2.340 54.440 52.037 0.105 0.000 0.647 722 A CB -1.063 17.983 19.000 0.077 0.000 0.828 722 A HN 0.670 nan 8.150 nan 0.000 0.455 723 Q N -0.541 119.337 119.800 0.130 0.000 2.224 723 Q HA -0.202 4.136 4.340 -0.003 0.000 0.203 723 Q C 1.804 177.860 176.000 0.094 0.000 0.970 723 Q CA 1.896 57.768 55.803 0.114 0.000 0.865 723 Q CB -0.301 28.514 28.738 0.128 0.000 0.922 723 Q HN 0.744 nan 8.270 nan 0.000 0.445 724 N N -0.365 118.395 118.700 0.100 0.000 2.250 724 N HA -0.023 4.715 4.740 -0.003 0.000 0.181 724 N C 1.396 176.939 175.510 0.055 0.000 1.017 724 N CA 0.664 53.756 53.050 0.070 0.000 0.866 724 N CB 0.079 38.616 38.487 0.082 0.000 0.985 724 N HN 0.196 nan 8.380 nan 0.000 0.429 725 L N -0.204 121.072 121.223 0.088 0.000 2.611 725 L HA 0.176 4.514 4.340 -0.003 0.000 0.229 725 L C 0.138 177.061 176.870 0.089 0.000 1.137 725 L CA -0.148 54.749 54.840 0.096 0.000 0.901 725 L CB -0.399 41.761 42.059 0.169 0.000 1.098 725 L HN 0.222 nan 8.230 nan 0.000 0.456 726 N N 1.592 120.339 118.700 0.078 0.000 2.696 726 N HA -0.213 4.525 4.740 -0.003 0.000 0.256 726 N C -0.535 175.018 175.510 0.070 0.000 1.031 726 N CA 0.838 53.929 53.050 0.069 0.000 0.730 726 N CB -0.980 37.540 38.487 0.055 0.000 0.894 726 N HN 0.605 nan 8.380 nan 0.000 0.544 727 I N -4.839 115.775 120.570 0.075 0.000 3.567 727 I HA 0.665 4.833 4.170 -0.003 0.000 0.302 727 I C 0.400 176.539 176.117 0.036 0.000 1.158 727 I CA -1.134 60.199 61.300 0.055 0.000 1.027 727 I CB 1.434 39.472 38.000 0.063 0.000 1.363 727 I HN 0.035 nan 8.210 nan 0.000 0.480 728 S N -0.462 115.237 115.700 -0.000 0.000 2.693 728 S HA 0.456 4.924 4.470 -0.003 0.000 0.276 728 S C 0.884 175.465 174.600 -0.032 0.000 1.192 728 S CA -0.608 57.588 58.200 -0.008 0.000 0.994 728 S CB 1.360 64.546 63.200 -0.024 0.000 1.012 728 S HN 0.657 nan 8.310 nan 0.000 0.550 729 R N 0.718 121.200 120.500 -0.031 0.000 2.075 729 R HA 0.007 4.345 4.340 -0.003 0.000 0.226 729 R C 2.038 178.286 176.300 -0.086 0.000 1.114 729 R CA 0.995 57.053 56.100 -0.069 0.000 0.972 729 R CB -0.463 29.776 30.300 -0.102 0.000 0.869 729 R HN 0.498 nan 8.270 nan 0.000 0.437 730 K N 1.682 122.038 120.400 -0.073 0.000 2.113 730 K HA -0.188 4.130 4.320 -0.003 0.000 0.208 730 K C 1.683 178.209 176.600 -0.122 0.000 1.047 730 K CA 1.713 57.954 56.287 -0.076 0.000 0.928 730 K CB 0.030 32.497 32.500 -0.055 0.000 0.716 730 K HN 0.234 nan 8.250 nan 0.000 0.446 731 E N -0.841 119.258 120.200 -0.170 0.000 2.051 731 E HA -0.077 4.271 4.350 -0.003 0.000 0.189 731 E C 2.029 178.325 176.600 -0.506 0.000 0.979 731 E CA 0.853 57.053 56.400 -0.335 0.000 0.803 731 E CB -0.197 29.317 29.700 -0.311 0.000 0.761 731 E HN 0.390 nan 8.360 nan 0.000 0.451 732 A N 1.781 124.429 122.820 -0.286 0.000 1.883 732 A HA -0.162 4.156 4.320 -0.003 0.000 0.217 732 A C 2.436 179.979 177.584 -0.068 0.000 1.186 732 A CA 1.831 53.785 52.037 -0.139 0.000 0.624 732 A CB -0.774 18.222 19.000 -0.007 0.000 0.822 732 A HN 0.288 nan 8.150 nan 0.000 0.444 733 A N -0.349 122.430 122.820 -0.070 0.000 1.978 733 A HA -0.196 4.122 4.320 -0.003 0.000 0.220 733 A C 1.902 179.490 177.584 0.007 0.000 1.170 733 A CA 1.732 53.762 52.037 -0.012 0.000 0.636 733 A CB -0.523 18.464 19.000 -0.021 0.000 0.810 733 A HN 0.672 nan 8.150 nan 0.000 0.448 734 E N -1.132 119.026 120.200 -0.070 0.000 2.072 734 E HA -0.145 4.203 4.350 -0.003 0.000 0.191 734 E C 1.681 178.343 176.600 0.102 0.000 0.985 734 E CA 1.107 57.490 56.400 -0.028 0.000 0.801 734 E CB -0.261 29.369 29.700 -0.117 0.000 0.750 734 E HN 0.641 nan 8.360 nan 0.000 0.452 735 F N 0.949 120.921 119.950 0.037 0.000 2.075 735 F HA -0.154 4.371 4.527 -0.003 0.000 0.297 735 F C 2.250 178.036 175.800 -0.022 0.000 1.113 735 F CA 0.763 58.768 58.000 0.008 0.000 1.218 735 F CB -0.928 38.083 39.000 0.018 0.000 0.984 735 F HN -0.008 nan 8.300 nan 0.000 0.472 736 I N -0.055 120.612 120.570 0.160 0.000 2.151 736 I HA -0.325 3.843 4.170 -0.003 0.000 0.243 736 I C 2.483 178.599 176.117 -0.001 0.000 1.080 736 I CA 1.943 63.215 61.300 -0.047 0.000 1.339 736 I CB -0.555 37.440 38.000 -0.008 0.000 1.039 736 I HN 0.091 nan 8.210 nan 0.000 0.409 737 E N 1.421 121.710 120.200 0.148 0.000 2.085 737 E HA -0.217 4.131 4.350 -0.003 0.000 0.194 737 E C 2.284 178.993 176.600 0.182 0.000 0.994 737 E CA 1.503 58.034 56.400 0.219 0.000 0.801 737 E CB -0.095 29.699 29.700 0.157 0.000 0.743 737 E HN 0.221 nan 8.360 nan 0.000 0.453 738 R N -0.642 119.940 120.500 0.138 0.000 2.096 738 R HA -0.155 4.183 4.340 -0.003 0.000 0.235 738 R C 2.373 178.710 176.300 0.061 0.000 1.127 738 R CA 1.451 57.603 56.100 0.088 0.000 0.968 738 R CB -0.932 29.418 30.300 0.083 0.000 0.861 738 R HN 0.385 nan 8.270 nan 0.000 0.440 739 Y N 0.754 121.024 120.300 -0.051 0.000 2.145 739 Y HA -0.219 4.329 4.550 -0.003 0.000 0.286 739 Y C 1.943 177.905 175.900 0.103 0.000 1.145 739 Y CA 1.473 59.558 58.100 -0.025 0.000 1.148 739 Y CB -0.419 37.919 38.460 -0.203 0.000 0.981 739 Y HN -0.147 nan 8.280 nan 0.000 0.507 740 F N 0.775 120.936 119.950 0.351 0.000 2.293 740 F HA -0.103 4.422 4.527 -0.003 0.000 0.300 740 F C 2.480 178.318 175.800 0.064 0.000 1.086 740 F CA 1.538 59.682 58.000 0.239 0.000 1.375 740 F CB -0.855 38.273 39.000 0.214 0.000 1.045 740 F HN 0.211 nan 8.300 nan 0.000 0.516 741 E N -0.391 119.919 120.200 0.183 0.000 2.152 741 E HA -0.125 4.223 4.350 -0.003 0.000 0.192 741 E C 2.013 178.559 176.600 -0.090 0.000 0.983 741 E CA 1.188 57.618 56.400 0.051 0.000 0.818 741 E CB 0.057 29.777 29.700 0.034 0.000 0.758 741 E HN 0.229 nan 8.360 nan 0.000 0.467 742 S N -0.539 115.022 115.700 -0.232 0.000 2.458 742 S HA 0.074 4.542 4.470 -0.003 0.000 0.223 742 S C 0.010 174.087 174.600 -0.871 0.000 1.019 742 S CA 0.207 58.058 58.200 -0.582 0.000 0.937 742 S CB 0.243 62.967 63.200 -0.793 0.000 0.788 742 S HN 0.155 nan 8.310 nan 0.000 0.511 743 F N 1.701 121.513 119.950 -0.230 0.000 2.523 743 F HA 0.362 4.887 4.527 -0.003 0.000 0.322 743 F C -1.937 173.894 175.800 0.053 0.000 1.361 743 F CA -2.302 55.605 58.000 -0.154 0.000 1.151 743 F CB 1.137 39.919 39.000 -0.363 0.000 1.391 743 F HN -0.024 nan 8.300 nan 0.000 0.566 744 P HA -0.134 nan 4.420 nan 0.000 0.219 744 P C 1.707 179.085 177.300 0.130 0.000 1.146 744 P CA 1.423 64.596 63.100 0.123 0.000 0.808 744 P CB 0.340 32.068 31.700 0.045 0.000 0.779 745 G N 0.343 109.228 108.800 0.142 0.000 2.408 745 G HA2 -0.173 3.785 3.960 -0.003 0.000 0.217 745 G HA3 -0.173 3.785 3.960 -0.003 0.000 0.217 745 G C 1.709 176.723 174.900 0.189 0.000 1.150 745 G CA 0.532 45.710 45.100 0.131 0.000 0.776 745 G HN 0.178 nan 8.290 nan 0.000 0.542 746 V N 0.691 120.772 119.914 0.277 0.000 2.427 746 V HA -0.117 4.001 4.120 -0.003 0.000 0.248 746 V C 2.654 178.952 176.094 0.340 0.000 1.051 746 V CA 2.115 64.632 62.300 0.362 0.000 1.048 746 V CB -0.301 31.816 31.823 0.490 0.000 0.666 746 V HN 0.407 nan 8.190 nan 0.000 0.456 747 K N 0.409 120.955 120.400 0.243 0.000 2.026 747 K HA -0.226 4.092 4.320 -0.003 0.000 0.208 747 K C 2.425 178.939 176.600 -0.143 0.000 1.048 747 K CA 1.715 57.871 56.287 -0.219 0.000 0.929 747 K CB -0.185 32.136 32.500 -0.299 0.000 0.713 747 K HN 0.314 nan 8.250 nan 0.000 0.439 748 R N -0.294 120.197 120.500 -0.015 0.000 2.091 748 R HA -0.227 4.111 4.340 -0.003 0.000 0.238 748 R C 2.367 178.670 176.300 0.006 0.000 1.136 748 R CA 1.891 57.983 56.100 -0.013 0.000 0.959 748 R CB -0.550 29.766 30.300 0.027 0.000 0.856 748 R HN 0.346 nan 8.270 nan 0.000 0.437 749 Y N 0.818 121.103 120.300 -0.025 0.000 2.145 749 Y HA -0.225 4.323 4.550 -0.003 0.000 0.286 749 Y C 2.118 177.996 175.900 -0.037 0.000 1.145 749 Y CA 1.808 59.895 58.100 -0.022 0.000 1.148 749 Y CB -0.169 38.295 38.460 0.006 0.000 0.981 749 Y HN 0.030 nan 8.280 nan 0.000 0.507 750 M N 0.493 119.957 119.600 -0.226 0.000 2.117 750 M HA -0.201 4.277 4.480 -0.003 0.000 0.262 750 M C 1.951 178.070 176.300 -0.302 0.000 1.065 750 M CA 1.782 56.897 55.300 -0.309 0.000 1.114 750 M CB -1.161 31.374 32.600 -0.109 0.000 1.361 750 M HN 0.431 nan 8.290 nan 0.000 0.408 751 E N -0.006 120.052 120.200 -0.237 0.000 2.047 751 E HA -0.155 4.193 4.350 -0.003 0.000 0.191 751 E C 1.840 178.329 176.600 -0.185 0.000 0.987 751 E CA 0.927 57.214 56.400 -0.187 0.000 0.799 751 E CB -0.181 29.428 29.700 -0.152 0.000 0.752 751 E HN 0.491 nan 8.360 nan 0.000 0.449 752 N N 0.998 119.582 118.700 -0.193 0.000 2.188 752 N HA -0.134 4.604 4.740 -0.003 0.000 0.184 752 N C 1.839 177.217 175.510 -0.221 0.000 1.018 752 N CA 0.673 53.623 53.050 -0.167 0.000 0.858 752 N CB -0.185 38.240 38.487 -0.103 0.000 0.989 752 N HN 0.109 nan 8.380 nan 0.000 0.426 753 I N 0.637 120.977 120.570 -0.383 0.000 2.315 753 I HA -0.138 4.030 4.170 -0.003 0.000 0.248 753 I C 1.859 177.826 176.117 -0.251 0.000 1.117 753 I CA 0.712 61.789 61.300 -0.372 0.000 1.404 753 I CB -0.135 37.468 38.000 -0.662 0.000 1.071 753 I HN -0.162 nan 8.210 nan 0.000 0.419 754 V N 0.271 120.043 119.914 -0.237 0.000 2.343 754 V HA -0.322 3.796 4.120 -0.003 0.000 0.247 754 V C 2.463 178.480 176.094 -0.130 0.000 1.051 754 V CA 2.226 64.428 62.300 -0.164 0.000 1.036 754 V CB -0.792 30.945 31.823 -0.144 0.000 0.654 754 V HN 0.563 nan 8.190 nan 0.000 0.451 755 Q N -0.132 119.592 119.800 -0.127 0.000 2.084 755 Q HA -0.266 4.072 4.340 -0.003 0.000 0.202 755 Q C 2.321 178.256 176.000 -0.107 0.000 0.978 755 Q CA 2.101 57.844 55.803 -0.099 0.000 0.844 755 Q CB -0.148 28.536 28.738 -0.090 0.000 0.898 755 Q HN 0.753 nan 8.270 nan 0.000 0.426 756 E N -0.563 119.558 120.200 -0.131 0.000 2.110 756 E HA -0.198 4.150 4.350 -0.003 0.000 0.193 756 E C 1.752 178.242 176.600 -0.182 0.000 0.988 756 E CA 0.938 57.248 56.400 -0.150 0.000 0.804 756 E CB -0.125 29.483 29.700 -0.154 0.000 0.745 756 E HN 0.477 nan 8.360 nan 0.000 0.458 757 A N 1.430 124.152 122.820 -0.164 0.000 1.969 757 A HA -0.193 4.125 4.320 -0.003 0.000 0.218 757 A C 2.088 179.613 177.584 -0.099 0.000 1.169 757 A CA 1.614 53.562 52.037 -0.148 0.000 0.635 757 A CB -0.398 18.536 19.000 -0.110 0.000 0.810 757 A HN 0.194 nan 8.150 nan 0.000 0.445 758 K N -0.778 119.573 120.400 -0.081 0.000 2.103 758 K HA -0.145 4.174 4.320 -0.003 0.000 0.204 758 K C 2.286 178.858 176.600 -0.046 0.000 1.052 758 K CA 1.272 57.531 56.287 -0.047 0.000 0.945 758 K CB -0.159 32.316 32.500 -0.042 0.000 0.722 758 K HN 0.525 nan 8.250 nan 0.000 0.443 759 Q N 1.181 120.937 119.800 -0.073 0.000 2.020 759 Q HA -0.145 4.193 4.340 -0.003 0.000 0.198 759 Q C 1.559 177.516 176.000 -0.073 0.000 0.974 759 Q CA 1.660 57.424 55.803 -0.066 0.000 0.829 759 Q CB 0.122 28.813 28.738 -0.077 0.000 0.894 759 Q HN 0.262 nan 8.270 nan 0.000 0.433 760 K N -1.376 118.929 120.400 -0.158 0.000 2.243 760 K HA 0.033 4.351 4.320 -0.003 0.000 0.201 760 K C 1.140 177.700 176.600 -0.067 0.000 1.051 760 K CA 0.690 56.843 56.287 -0.223 0.000 0.970 760 K CB 0.257 32.363 32.500 -0.657 0.000 0.755 760 K HN 0.495 nan 8.250 nan 0.000 0.465 761 G N 0.692 109.467 108.800 -0.042 0.000 2.176 761 G HA2 -0.260 3.698 3.960 -0.003 0.000 0.232 761 G HA3 -0.260 3.698 3.960 -0.003 0.000 0.232 761 G C -0.179 174.885 174.900 0.272 0.000 0.986 761 G CA 0.510 45.711 45.100 0.169 0.000 0.643 761 G HN 0.385 nan 8.290 nan 0.000 0.522 762 Y N -2.127 118.162 120.300 -0.019 0.000 2.750 762 Y HA 0.734 5.282 4.550 -0.003 0.000 0.335 762 Y C -0.383 175.437 175.900 -0.133 0.000 1.252 762 Y CA -1.269 56.738 58.100 -0.155 0.000 1.064 762 Y CB 0.839 38.993 38.460 -0.509 0.000 1.321 762 Y HN 0.991 nan 8.280 nan 0.000 0.451 763 V N -0.842 119.075 119.914 0.004 0.000 3.001 763 V HA 0.997 5.115 4.120 -0.003 0.000 0.314 763 V C -0.461 175.688 176.094 0.092 0.000 1.099 763 V CA -0.259 62.023 62.300 -0.028 0.000 0.989 763 V CB 1.294 33.096 31.823 -0.036 0.000 1.040 763 V HN 1.378 nan 8.190 nan 0.000 0.434 764 T N -0.810 113.793 114.554 0.083 0.000 2.916 764 T HA 0.803 5.151 4.350 -0.003 0.000 0.292 764 T C 0.003 174.751 174.700 0.081 0.000 1.064 764 T CA 0.007 62.171 62.100 0.107 0.000 1.011 764 T CB 1.724 70.696 68.868 0.173 0.000 1.152 764 T HN 1.456 nan 8.240 nan 0.000 0.510 765 T N -0.353 114.240 114.554 0.065 0.000 2.910 765 T HA 0.461 4.809 4.350 -0.003 0.000 0.279 765 T C 1.298 176.007 174.700 0.015 0.000 0.989 765 T CA -0.788 61.329 62.100 0.029 0.000 0.968 765 T CB 0.866 69.733 68.868 -0.002 0.000 1.135 765 T HN 0.540 nan 8.240 nan 0.000 0.562 766 L N 0.160 121.363 121.223 -0.032 0.000 2.043 766 L HA 0.074 4.412 4.340 -0.003 0.000 0.212 766 L C 1.798 178.546 176.870 -0.204 0.000 1.075 766 L CA 1.765 56.557 54.840 -0.080 0.000 0.752 766 L CB -0.784 41.216 42.059 -0.098 0.000 0.891 766 L HN 0.701 nan 8.230 nan 0.000 0.432 767 L N -0.978 120.135 121.223 -0.184 0.000 2.685 767 L HA 0.141 4.479 4.340 -0.003 0.000 0.233 767 L C 0.159 176.899 176.870 -0.217 0.000 1.173 767 L CA -0.155 54.526 54.840 -0.265 0.000 0.961 767 L CB -0.498 41.481 42.059 -0.133 0.000 1.217 767 L HN 0.412 nan 8.230 nan 0.000 0.478 768 H N -1.314 117.753 119.070 -0.006 0.000 3.049 768 H HA -0.144 4.410 4.556 -0.003 0.000 0.250 768 H C 0.864 176.172 175.328 -0.034 0.000 1.219 768 H CA 0.357 56.400 56.048 -0.009 0.000 1.117 768 H CB -1.323 28.435 29.762 -0.006 0.000 1.251 768 H HN 0.397 nan 8.280 nan 0.000 0.338 769 R N 1.041 121.575 120.500 0.056 0.000 2.694 769 R HA 0.388 4.726 4.340 -0.003 0.000 0.268 769 R C 0.578 176.856 176.300 -0.036 0.000 1.061 769 R CA -0.129 55.961 56.100 -0.016 0.000 1.133 769 R CB 0.850 31.132 30.300 -0.030 0.000 1.020 769 R HN 0.299 nan 8.270 nan 0.000 0.475 770 R N 2.091 122.521 120.500 -0.118 0.000 2.750 770 R HA 0.397 4.735 4.340 -0.003 0.000 0.281 770 R C -1.347 174.832 176.300 -0.202 0.000 0.972 770 R CA -0.815 55.174 56.100 -0.185 0.000 0.912 770 R CB 1.481 31.553 30.300 -0.380 0.000 1.187 770 R HN 0.643 nan 8.270 nan 0.000 0.464 771 R N 3.372 123.762 120.500 -0.183 0.000 2.510 771 R HA 0.239 4.577 4.340 -0.003 0.000 0.294 771 R C -1.659 174.580 176.300 -0.102 0.000 1.056 771 R CA -0.540 55.498 56.100 -0.103 0.000 0.918 771 R CB 0.916 31.204 30.300 -0.019 0.000 1.187 771 R HN 0.545 nan 8.270 nan 0.000 0.437 772 Y N 4.140 124.489 120.300 0.081 0.000 2.319 772 Y HA 0.268 4.816 4.550 -0.003 0.000 0.328 772 Y C 0.368 176.322 175.900 0.090 0.000 1.133 772 Y CA -0.172 57.996 58.100 0.113 0.000 1.265 772 Y CB 1.113 39.616 38.460 0.071 0.000 1.218 772 Y HN 0.401 nan 8.280 nan 0.000 0.508 773 L N 6.338 127.699 121.223 0.230 0.000 2.556 773 L HA 0.266 4.604 4.340 -0.003 0.000 0.243 773 L C -1.745 175.202 176.870 0.128 0.000 1.331 773 L CA -1.368 53.557 54.840 0.142 0.000 0.927 773 L CB 1.202 43.301 42.059 0.067 0.000 1.219 773 L HN 0.508 nan 8.230 nan 0.000 0.490 774 P HA -0.138 nan 4.420 nan 0.000 0.220 774 P C 0.420 177.765 177.300 0.075 0.000 1.148 774 P CA 1.030 64.189 63.100 0.097 0.000 0.803 774 P CB 0.446 32.195 31.700 0.082 0.000 0.782 775 D N -0.450 120.001 120.400 0.085 0.000 2.363 775 D HA -0.036 4.602 4.640 -0.003 0.000 0.226 775 D C 1.693 178.025 176.300 0.054 0.000 1.020 775 D CA 0.188 54.233 54.000 0.076 0.000 0.892 775 D CB -0.602 40.263 40.800 0.109 0.000 0.900 775 D HN 0.166 nan 8.370 nan 0.000 0.531 776 I N 0.852 121.447 120.570 0.043 0.000 2.700 776 I HA -0.183 3.985 4.170 -0.003 0.000 0.261 776 I C 1.800 177.923 176.117 0.010 0.000 1.219 776 I CA 1.212 62.519 61.300 0.012 0.000 1.463 776 I CB -0.080 37.920 38.000 0.000 0.000 1.092 776 I HN -0.038 nan 8.210 nan 0.000 0.452 777 T N -3.363 111.205 114.554 0.023 0.000 3.054 777 T HA 0.192 4.540 4.350 -0.003 0.000 0.255 777 T C 0.956 175.673 174.700 0.028 0.000 1.035 777 T CA 0.132 62.245 62.100 0.022 0.000 0.941 777 T CB -0.481 68.401 68.868 0.024 0.000 1.026 777 T HN 0.212 nan 8.240 nan 0.000 0.533 778 S N 1.027 116.746 115.700 0.032 0.000 2.560 778 S HA 0.198 4.666 4.470 -0.003 0.000 0.284 778 S C 0.997 175.624 174.600 0.044 0.000 1.327 778 S CA -0.526 57.697 58.200 0.038 0.000 1.055 778 S CB 0.525 63.750 63.200 0.042 0.000 0.868 778 S HN 0.365 nan 8.310 nan 0.000 0.506 779 R N 2.586 123.116 120.500 0.050 0.000 2.320 779 R HA 0.244 4.582 4.340 -0.003 0.000 0.211 779 R C 0.337 176.688 176.300 0.085 0.000 0.931 779 R CA 0.036 56.174 56.100 0.063 0.000 1.071 779 R CB -0.240 30.091 30.300 0.051 0.000 1.025 779 R HN 0.537 nan 8.270 nan 0.000 0.495 780 N N 0.382 119.132 118.700 0.083 0.000 2.437 780 N HA -0.040 4.698 4.740 -0.003 0.000 0.259 780 N C 0.337 175.929 175.510 0.137 0.000 0.983 780 N CA -0.119 52.996 53.050 0.109 0.000 0.937 780 N CB 0.497 39.030 38.487 0.077 0.000 1.122 780 N HN -0.024 nan 8.380 nan 0.000 0.499 781 F N 5.457 125.440 119.950 0.055 0.000 2.087 781 F HA -0.265 4.260 4.527 -0.003 0.000 0.299 781 F C 1.698 177.552 175.800 0.091 0.000 1.100 781 F CA 1.769 59.811 58.000 0.070 0.000 1.226 781 F CB 0.019 39.064 39.000 0.075 0.000 0.983 781 F HN 0.547 nan 8.300 nan 0.000 0.479 782 N N 0.335 119.115 118.700 0.134 0.000 2.084 782 N HA -0.151 4.587 4.740 -0.003 0.000 0.190 782 N C 2.063 177.578 175.510 0.007 0.000 1.030 782 N CA 1.850 54.930 53.050 0.050 0.000 0.849 782 N CB -0.813 37.744 38.487 0.117 0.000 1.012 782 N HN 0.268 nan 8.380 nan 0.000 0.423 783 V N 1.601 121.535 119.914 0.033 0.000 2.343 783 V HA -0.173 3.945 4.120 -0.003 0.000 0.247 783 V C 2.574 178.703 176.094 0.059 0.000 1.051 783 V CA 1.464 63.797 62.300 0.055 0.000 1.036 783 V CB -0.477 31.374 31.823 0.046 0.000 0.654 783 V HN 0.285 nan 8.190 nan 0.000 0.451 784 R N -0.023 120.471 120.500 -0.010 0.000 2.075 784 R HA -0.137 4.201 4.340 -0.003 0.000 0.232 784 R C 2.515 178.753 176.300 -0.103 0.000 1.126 784 R CA 1.748 57.823 56.100 -0.041 0.000 0.963 784 R CB -0.281 29.988 30.300 -0.053 0.000 0.858 784 R HN 0.485 nan 8.270 nan 0.000 0.435 785 S N 0.409 115.967 115.700 -0.237 0.000 2.370 785 S HA -0.170 4.298 4.470 -0.003 0.000 0.226 785 S C 1.417 175.971 174.600 -0.078 0.000 1.033 785 S CA 1.413 59.455 58.200 -0.263 0.000 1.011 785 S CB -0.406 62.509 63.200 -0.476 0.000 0.852 785 S HN 0.399 nan 8.310 nan 0.000 0.457 786 F N 2.533 122.424 119.950 -0.098 0.000 2.134 786 F HA -0.127 4.398 4.527 -0.003 0.000 0.299 786 F C 2.304 178.089 175.800 -0.025 0.000 1.097 786 F CA 1.086 59.064 58.000 -0.036 0.000 1.264 786 F CB -0.750 38.240 39.000 -0.016 0.000 1.001 786 F HN 0.174 nan 8.300 nan 0.000 0.479 787 A N 0.135 122.954 122.820 -0.002 0.000 1.933 787 A HA -0.212 4.106 4.320 -0.003 0.000 0.218 787 A C 2.108 179.601 177.584 -0.152 0.000 1.175 787 A CA 1.917 53.914 52.037 -0.067 0.000 0.628 787 A CB -0.867 18.154 19.000 0.035 0.000 0.814 787 A HN 0.590 nan 8.150 nan 0.000 0.444 788 E N -0.494 119.625 120.200 -0.135 0.000 2.106 788 E HA -0.164 4.184 4.350 -0.003 0.000 0.192 788 E C 2.260 178.765 176.600 -0.157 0.000 0.984 788 E CA 0.953 57.274 56.400 -0.132 0.000 0.806 788 E CB -0.196 29.437 29.700 -0.112 0.000 0.750 788 E HN 0.539 nan 8.360 nan 0.000 0.458 789 R N -0.026 120.354 120.500 -0.199 0.000 2.115 789 R HA -0.034 4.304 4.340 -0.003 0.000 0.230 789 R C 2.137 178.297 176.300 -0.235 0.000 1.111 789 R CA 0.889 56.875 56.100 -0.190 0.000 0.976 789 R CB -0.061 30.127 30.300 -0.188 0.000 0.870 789 R HN 0.166 nan 8.270 nan 0.000 0.445 790 M N -0.074 119.314 119.600 -0.353 0.000 2.254 790 M HA 0.019 4.497 4.480 -0.003 0.000 0.265 790 M C 2.325 178.538 176.300 -0.143 0.000 1.066 790 M CA 1.077 56.209 55.300 -0.280 0.000 1.123 790 M CB -0.954 31.445 32.600 -0.335 0.000 1.388 790 M HN 0.113 nan 8.290 nan 0.000 0.425 791 A N -0.135 122.602 122.820 -0.138 0.000 1.933 791 A HA -0.143 4.175 4.320 -0.003 0.000 0.218 791 A C 2.255 179.781 177.584 -0.097 0.000 1.175 791 A CA 1.505 53.478 52.037 -0.108 0.000 0.628 791 A CB -0.474 18.450 19.000 -0.127 0.000 0.814 791 A HN 0.474 nan 8.150 nan 0.000 0.444 792 M N -1.007 118.533 119.600 -0.099 0.000 2.160 792 M HA -0.068 4.410 4.480 -0.003 0.000 0.264 792 M C 2.261 178.582 176.300 0.035 0.000 1.073 792 M CA 1.471 56.746 55.300 -0.041 0.000 1.142 792 M CB -0.410 32.167 32.600 -0.039 0.000 1.358 792 M HN 0.601 nan 8.290 nan 0.000 0.422 793 N N -0.127 118.557 118.700 -0.026 0.000 2.171 793 N HA -0.124 4.614 4.740 -0.003 0.000 0.184 793 N C 1.411 176.907 175.510 -0.023 0.000 1.021 793 N CA 1.742 54.771 53.050 -0.036 0.000 0.854 793 N CB 0.029 38.493 38.487 -0.038 0.000 0.994 793 N HN 0.208 nan 8.380 nan 0.000 0.426 794 T N 1.642 116.185 114.554 -0.019 0.000 2.665 794 T HA -0.072 4.276 4.350 -0.003 0.000 0.268 794 T C -0.964 173.740 174.700 0.007 0.000 1.035 794 T CA 1.418 63.515 62.100 -0.005 0.000 1.151 794 T CB -1.064 67.799 68.868 -0.008 0.000 0.862 794 T HN 0.392 nan 8.240 nan 0.000 0.438 795 P HA 0.065 nan 4.420 nan 0.000 0.220 795 P C 1.236 178.538 177.300 0.003 0.000 1.148 795 P CA 0.800 63.929 63.100 0.047 0.000 0.803 795 P CB -0.113 31.669 31.700 0.136 0.000 0.782 796 I N -1.095 119.468 120.570 -0.012 0.000 2.188 796 I HA -0.193 3.975 4.170 -0.003 0.000 0.237 796 I C 2.657 178.723 176.117 -0.086 0.000 1.073 796 I CA 1.251 62.508 61.300 -0.071 0.000 1.359 796 I CB -0.644 37.300 38.000 -0.095 0.000 1.083 796 I HN -0.087 nan 8.210 nan 0.000 0.412 797 Q N 1.024 120.778 119.800 -0.076 0.000 2.084 797 Q HA -0.164 4.174 4.340 -0.003 0.000 0.202 797 Q C 2.172 178.151 176.000 -0.034 0.000 0.978 797 Q CA 1.909 57.675 55.803 -0.062 0.000 0.844 797 Q CB -0.248 28.468 28.738 -0.036 0.000 0.898 797 Q HN 0.570 nan 8.270 nan 0.000 0.426 798 G N -0.440 108.348 108.800 -0.021 0.000 2.418 798 G HA2 -0.215 3.743 3.960 -0.003 0.000 0.217 798 G HA3 -0.215 3.743 3.960 -0.003 0.000 0.217 798 G C 1.464 176.347 174.900 -0.028 0.000 1.158 798 G CA 0.884 45.978 45.100 -0.009 0.000 0.771 798 G HN 0.337 nan 8.290 nan 0.000 0.545 799 S N 0.906 116.577 115.700 -0.049 0.000 2.406 799 S HA 0.082 4.550 4.470 -0.003 0.000 0.228 799 S C 2.729 177.262 174.600 -0.111 0.000 1.020 799 S CA 0.963 59.117 58.200 -0.076 0.000 0.965 799 S CB -0.228 62.923 63.200 -0.083 0.000 0.798 799 S HN 0.560 nan 8.310 nan 0.000 0.488 800 A N 1.432 124.182 122.820 -0.117 0.000 1.969 800 A HA 0.164 4.482 4.320 -0.003 0.000 0.218 800 A C 2.280 179.805 177.584 -0.098 0.000 1.169 800 A CA 1.539 53.483 52.037 -0.155 0.000 0.635 800 A CB -0.826 18.091 19.000 -0.137 0.000 0.810 800 A HN 0.498 nan 8.150 nan 0.000 0.445 801 A N 0.099 122.896 122.820 -0.038 0.000 1.897 801 A HA -0.119 4.199 4.320 -0.003 0.000 0.215 801 A C 1.757 179.338 177.584 -0.004 0.000 1.181 801 A CA 1.667 53.712 52.037 0.012 0.000 0.620 801 A CB -0.488 18.540 19.000 0.047 0.000 0.821 801 A HN 0.433 nan 8.150 nan 0.000 0.443 802 D N 0.332 120.715 120.400 -0.029 0.000 2.104 802 D HA -0.150 4.488 4.640 -0.003 0.000 0.194 802 D C 1.871 178.140 176.300 -0.052 0.000 0.994 802 D CA 1.331 55.309 54.000 -0.037 0.000 0.830 802 D CB -0.394 40.370 40.800 -0.059 0.000 0.959 802 D HN 0.526 nan 8.370 nan 0.000 0.452 803 I N 0.729 121.243 120.570 -0.094 0.000 2.142 803 I HA -0.225 3.944 4.170 -0.003 0.000 0.240 803 I C 2.590 178.687 176.117 -0.034 0.000 1.078 803 I CA 0.771 62.002 61.300 -0.115 0.000 1.343 803 I CB -0.148 37.703 38.000 -0.249 0.000 1.046 803 I HN -0.043 nan 8.210 nan 0.000 0.405 804 I N 0.720 121.288 120.570 -0.004 0.000 2.493 804 I HA -0.274 3.894 4.170 -0.003 0.000 0.254 804 I C 2.409 178.569 176.117 0.072 0.000 1.160 804 I CA 1.464 62.850 61.300 0.143 0.000 1.445 804 I CB -0.100 38.025 38.000 0.209 0.000 1.086 804 I HN 0.156 nan 8.210 nan 0.000 0.433 805 K N 0.546 120.962 120.400 0.027 0.000 2.097 805 K HA -0.235 4.083 4.320 -0.003 0.000 0.205 805 K C 2.150 178.750 176.600 0.000 0.000 1.050 805 K CA 1.403 57.693 56.287 0.005 0.000 0.938 805 K CB -0.113 32.389 32.500 0.005 0.000 0.718 805 K HN 0.246 nan 8.250 nan 0.000 0.442 806 K N 0.851 121.251 120.400 -0.000 0.000 2.097 806 K HA -0.075 4.243 4.320 -0.003 0.000 0.205 806 K C 2.063 178.666 176.600 0.005 0.000 1.050 806 K CA 1.036 57.319 56.287 -0.007 0.000 0.938 806 K CB -0.034 32.454 32.500 -0.020 0.000 0.718 806 K HN 0.099 nan 8.250 nan 0.000 0.442 807 A N 1.230 124.071 122.820 0.034 0.000 1.902 807 A HA -0.177 4.141 4.320 -0.003 0.000 0.217 807 A C 2.105 179.695 177.584 0.010 0.000 1.181 807 A CA 1.719 53.784 52.037 0.046 0.000 0.623 807 A CB -0.477 18.599 19.000 0.127 0.000 0.818 807 A HN 0.349 nan 8.150 nan 0.000 0.443 808 M N -0.789 118.814 119.600 0.006 0.000 2.117 808 M HA -0.106 4.372 4.480 -0.003 0.000 0.262 808 M C 2.087 178.373 176.300 -0.022 0.000 1.065 808 M CA 1.565 56.855 55.300 -0.017 0.000 1.114 808 M CB -0.530 32.051 32.600 -0.032 0.000 1.361 808 M HN 0.401 nan 8.290 nan 0.000 0.408 809 I N 0.220 120.779 120.570 -0.019 0.000 2.142 809 I HA -0.308 3.860 4.170 -0.003 0.000 0.240 809 I C 1.923 178.026 176.117 -0.024 0.000 1.078 809 I CA 1.252 62.538 61.300 -0.022 0.000 1.343 809 I CB -0.596 37.392 38.000 -0.020 0.000 1.046 809 I HN 0.248 nan 8.210 nan 0.000 0.405 810 D N 0.696 121.083 120.400 -0.022 0.000 2.123 810 D HA -0.187 4.451 4.640 -0.003 0.000 0.196 810 D C 2.003 178.282 176.300 -0.036 0.000 0.992 810 D CA 1.150 55.135 54.000 -0.026 0.000 0.833 810 D CB -0.397 40.389 40.800 -0.022 0.000 0.954 810 D HN 0.178 nan 8.370 nan 0.000 0.455 811 L N 1.144 122.344 121.223 -0.038 0.000 2.017 811 L HA -0.148 4.190 4.340 -0.003 0.000 0.208 811 L C 1.564 178.403 176.870 -0.052 0.000 1.073 811 L CA 1.727 56.535 54.840 -0.054 0.000 0.745 811 L CB -0.708 41.317 42.059 -0.056 0.000 0.894 811 L HN -0.136 nan 8.230 nan 0.000 0.432 812 N N -0.149 118.528 118.700 -0.038 0.000 2.223 812 N HA -0.101 4.637 4.740 -0.003 0.000 0.185 812 N C 1.786 177.277 175.510 -0.033 0.000 1.016 812 N CA 1.371 54.404 53.050 -0.030 0.000 0.863 812 N CB -0.376 38.100 38.487 -0.019 0.000 0.983 812 N HN 0.554 nan 8.380 nan 0.000 0.429 813 A N 0.784 123.583 122.820 -0.035 0.000 1.898 813 A HA -0.068 4.250 4.320 -0.003 0.000 0.216 813 A C 2.175 179.734 177.584 -0.042 0.000 1.181 813 A CA 0.978 52.994 52.037 -0.035 0.000 0.620 813 A CB -0.188 18.793 19.000 -0.032 0.000 0.819 813 A HN 0.119 nan 8.150 nan 0.000 0.442 814 R N -0.442 120.027 120.500 -0.051 0.000 2.075 814 R HA -0.012 4.327 4.340 -0.003 0.000 0.232 814 R C 2.102 178.359 176.300 -0.071 0.000 1.126 814 R CA 1.203 57.266 56.100 -0.062 0.000 0.963 814 R CB -0.813 29.443 30.300 -0.074 0.000 0.858 814 R HN 0.559 nan 8.270 nan 0.000 0.435 815 L N 0.822 122.000 121.223 -0.075 0.000 2.042 815 L HA -0.205 4.133 4.340 -0.003 0.000 0.210 815 L C 2.728 179.562 176.870 -0.060 0.000 1.076 815 L CA 1.513 56.304 54.840 -0.081 0.000 0.749 815 L CB -0.429 41.587 42.059 -0.071 0.000 0.893 815 L HN 0.186 nan 8.230 nan 0.000 0.432 816 K N 0.427 120.801 120.400 -0.043 0.000 2.057 816 K HA -0.177 4.141 4.320 -0.003 0.000 0.206 816 K C 1.923 178.501 176.600 -0.037 0.000 1.050 816 K CA 1.338 57.605 56.287 -0.032 0.000 0.935 816 K CB 0.046 32.531 32.500 -0.026 0.000 0.715 816 K HN 0.321 nan 8.250 nan 0.000 0.439 817 E N 0.301 120.477 120.200 -0.042 0.000 2.118 817 E HA -0.175 4.173 4.350 -0.003 0.000 0.195 817 E C 1.615 178.187 176.600 -0.047 0.000 0.992 817 E CA 0.974 57.349 56.400 -0.041 0.000 0.804 817 E CB 0.083 29.758 29.700 -0.042 0.000 0.741 817 E HN 0.307 nan 8.360 nan 0.000 0.458 818 E N 0.332 120.498 120.200 -0.058 0.000 2.478 818 E HA 0.007 4.355 4.350 -0.003 0.000 0.194 818 E C 0.025 176.586 176.600 -0.065 0.000 1.045 818 E CA 0.077 56.437 56.400 -0.067 0.000 0.868 818 E CB 0.166 29.813 29.700 -0.088 0.000 0.885 818 E HN 0.059 nan 8.360 nan 0.000 0.505 819 R N 0.007 120.475 120.500 -0.054 0.000 3.416 819 R HA -0.171 4.167 4.340 -0.003 0.000 0.263 819 R C -0.428 175.836 176.300 -0.060 0.000 1.053 819 R CA 0.254 56.327 56.100 -0.045 0.000 0.705 819 R CB -2.501 27.778 30.300 -0.035 0.000 1.124 819 R HN 0.140 nan 8.270 nan 0.000 0.444 820 L N 0.136 121.309 121.223 -0.083 0.000 2.395 820 L HA 0.121 4.459 4.340 -0.003 0.000 0.269 820 L C 1.751 178.560 176.870 -0.101 0.000 1.133 820 L CA -0.193 54.572 54.840 -0.124 0.000 0.812 820 L CB 0.894 42.851 42.059 -0.170 0.000 1.125 820 L HN 0.288 nan 8.230 nan 0.000 0.452 821 Q N 1.696 121.409 119.800 -0.145 0.000 2.432 821 Q HA 0.115 4.453 4.340 -0.003 0.000 0.205 821 Q C 0.584 176.497 176.000 -0.146 0.000 0.945 821 Q CA -0.010 55.751 55.803 -0.070 0.000 0.924 821 Q CB 0.240 28.941 28.738 -0.061 0.000 1.016 821 Q HN 0.768 nan 8.270 nan 0.000 0.503 822 A N 2.427 125.063 122.820 -0.306 0.000 2.531 822 A HA 0.064 4.382 4.320 -0.003 0.000 0.236 822 A C -0.139 177.362 177.584 -0.137 0.000 1.062 822 A CA 0.261 52.084 52.037 -0.356 0.000 0.760 822 A CB -0.128 18.661 19.000 -0.351 0.000 0.995 822 A HN 0.419 nan 8.150 nan 0.000 0.501 823 H N 0.088 119.160 119.070 0.003 0.000 3.012 823 H HA 0.533 5.088 4.556 -0.003 0.000 0.367 823 H C -1.427 173.917 175.328 0.027 0.000 1.211 823 H CA -1.175 54.889 56.048 0.027 0.000 1.139 823 H CB 0.656 30.466 29.762 0.080 0.000 1.838 823 H HN 0.487 nan 8.280 nan 0.000 0.550 824 L N 1.947 123.291 121.223 0.202 0.000 2.426 824 L HA 0.045 4.383 4.340 -0.003 0.000 0.271 824 L C 0.944 177.915 176.870 0.169 0.000 1.169 824 L CA -0.148 54.765 54.840 0.122 0.000 0.836 824 L CB 0.633 42.721 42.059 0.049 0.000 1.112 824 L HN 0.577 nan 8.230 nan 0.000 0.465 825 L N 3.244 124.534 121.223 0.111 0.000 2.600 825 L HA 0.353 4.691 4.340 -0.003 0.000 0.213 825 L C -0.062 176.871 176.870 0.105 0.000 1.045 825 L CA 0.212 55.113 54.840 0.101 0.000 0.863 825 L CB 0.450 42.533 42.059 0.040 0.000 1.189 825 L HN 0.416 nan 8.230 nan 0.000 0.484 826 L N -0.694 120.548 121.223 0.032 0.000 2.479 826 L HA 0.478 4.816 4.340 -0.003 0.000 0.255 826 L C -1.206 175.650 176.870 -0.024 0.000 1.026 826 L CA -0.559 54.334 54.840 0.088 0.000 0.842 826 L CB 2.292 44.338 42.059 -0.022 0.000 1.444 826 L HN -0.108 nan 8.230 nan 0.000 0.409 827 Q N 1.374 121.140 119.800 -0.058 0.000 2.304 827 Q HA 0.480 4.818 4.340 -0.003 0.000 0.270 827 Q C -1.850 174.116 176.000 -0.057 0.000 1.035 827 Q CA -0.422 55.319 55.803 -0.104 0.000 0.781 827 Q CB 2.720 31.315 28.738 -0.239 0.000 1.261 827 Q HN 0.519 nan 8.270 nan 0.000 0.444 828 V N 6.431 126.325 119.914 -0.034 0.000 2.446 828 V HA 0.226 4.344 4.120 -0.003 0.000 0.257 828 V C 0.260 176.300 176.094 -0.090 0.000 1.036 828 V CA -0.298 61.930 62.300 -0.120 0.000 1.196 828 V CB -0.298 31.569 31.823 0.073 0.000 1.446 828 V HN 0.922 nan 8.190 nan 0.000 0.558 829 H N 1.762 120.908 119.070 0.126 0.000 4.988 829 H HA -0.214 4.340 4.556 -0.003 0.000 0.062 829 H C 1.249 176.651 175.328 0.124 0.000 0.573 829 H CA 2.269 58.386 56.048 0.115 0.000 0.989 829 H CB -0.890 28.946 29.762 0.124 0.000 0.461 829 H HN 0.829 nan 8.280 nan 0.000 0.781 830 D N 1.539 122.101 120.400 0.269 0.000 2.563 830 D HA 0.194 4.832 4.640 -0.003 0.000 0.237 830 D C 0.348 176.806 176.300 0.264 0.000 1.282 830 D CA 0.505 54.680 54.000 0.291 0.000 0.816 830 D CB 0.449 41.400 40.800 0.252 0.000 1.066 830 D HN 0.751 nan 8.370 nan 0.000 0.501 831 E N 0.055 120.357 120.200 0.169 0.000 2.383 831 E HA 0.584 4.932 4.350 -0.003 0.000 0.275 831 E C -1.398 175.240 176.600 0.064 0.000 0.918 831 E CA -1.073 55.387 56.400 0.101 0.000 0.764 831 E CB 1.866 31.641 29.700 0.125 0.000 1.252 831 E HN -0.038 nan 8.360 nan 0.000 0.449 832 L N 2.275 123.521 121.223 0.038 0.000 2.362 832 L HA 0.537 4.875 4.340 -0.003 0.000 0.275 832 L C -0.785 176.115 176.870 0.050 0.000 0.998 832 L CA -1.310 53.546 54.840 0.025 0.000 0.820 832 L CB 1.609 43.673 42.059 0.009 0.000 1.270 832 L HN 0.549 nan 8.230 nan 0.000 0.415 833 I N 4.240 124.811 120.570 0.002 0.000 2.406 833 I HA 0.511 4.679 4.170 -0.003 0.000 0.290 833 I C -0.250 175.866 176.117 -0.002 0.000 0.999 833 I CA -0.397 60.880 61.300 -0.038 0.000 1.124 833 I CB 1.561 39.393 38.000 -0.280 0.000 1.289 833 I HN 0.395 nan 8.210 nan 0.000 0.441 834 L N 5.531 126.797 121.223 0.073 0.000 2.257 834 L HA 0.630 4.968 4.340 -0.003 0.000 0.257 834 L C -0.023 176.886 176.870 0.066 0.000 1.033 834 L CA -0.575 54.302 54.840 0.061 0.000 0.835 834 L CB 1.542 43.611 42.059 0.016 0.000 1.398 834 L HN 0.660 nan 8.230 nan 0.000 0.429 835 E N 0.169 120.375 120.200 0.011 0.000 2.340 835 E HA 0.920 5.268 4.350 -0.003 0.000 0.273 835 E C -1.558 174.961 176.600 -0.134 0.000 0.891 835 E CA -1.094 55.343 56.400 0.063 0.000 0.757 835 E CB 2.557 32.377 29.700 0.201 0.000 1.231 835 E HN 0.728 nan 8.360 nan 0.000 0.439 836 A N 2.302 124.976 122.820 -0.243 0.000 2.586 836 A HA 0.624 4.942 4.320 -0.003 0.000 0.291 836 A C -2.979 173.918 177.584 -1.144 0.000 1.062 836 A CA -1.446 50.042 52.037 -0.914 0.000 0.666 836 A CB 1.208 19.834 19.000 -0.622 0.000 1.281 836 A HN 0.502 nan 8.150 nan 0.000 0.421 837 P HA 0.093 nan 4.420 nan 0.000 0.267 837 P C 0.476 177.468 177.300 -0.513 0.000 1.200 837 P CA 0.082 62.502 63.100 -1.134 0.000 0.772 837 P CB 0.538 31.763 31.700 -0.792 0.000 0.855 838 K N 1.844 122.087 120.400 -0.261 0.000 2.209 838 K HA -0.189 4.129 4.320 -0.003 0.000 0.204 838 K C 0.784 177.269 176.600 -0.191 0.000 1.048 838 K CA 1.718 57.907 56.287 -0.164 0.000 0.940 838 K CB -0.411 32.063 32.500 -0.043 0.000 0.729 838 K HN 0.273 nan 8.250 nan 0.000 0.451 839 E N 1.252 121.338 120.200 -0.191 0.000 2.478 839 E HA -0.073 4.275 4.350 -0.003 0.000 0.198 839 E C 0.843 177.320 176.600 -0.206 0.000 1.046 839 E CA 0.777 57.079 56.400 -0.163 0.000 0.870 839 E CB 0.180 29.803 29.700 -0.128 0.000 0.818 839 E HN 0.490 nan 8.360 nan 0.000 0.527 840 E N -0.547 119.483 120.200 -0.284 0.000 2.498 840 E HA 0.075 4.423 4.350 -0.003 0.000 0.203 840 E C 1.229 177.631 176.600 -0.330 0.000 1.013 840 E CA -0.170 56.047 56.400 -0.304 0.000 0.927 840 E CB 0.240 29.716 29.700 -0.373 0.000 1.012 840 E HN 0.206 nan 8.360 nan 0.000 0.482 841 M N 0.770 120.164 119.600 -0.343 0.000 2.080 841 M HA -0.174 4.304 4.480 -0.003 0.000 0.260 841 M C 1.835 177.973 176.300 -0.270 0.000 1.068 841 M CA 1.686 56.741 55.300 -0.409 0.000 1.109 841 M CB -0.869 31.300 32.600 -0.719 0.000 1.342 841 M HN 0.137 nan 8.290 nan 0.000 0.405 842 E N -0.420 119.669 120.200 -0.185 0.000 2.118 842 E HA -0.186 4.162 4.350 -0.003 0.000 0.195 842 E C 2.232 178.756 176.600 -0.126 0.000 0.992 842 E CA 0.912 57.256 56.400 -0.093 0.000 0.804 842 E CB -0.169 29.496 29.700 -0.058 0.000 0.741 842 E HN 0.481 nan 8.360 nan 0.000 0.458 843 R N 0.370 120.764 120.500 -0.176 0.000 2.092 843 R HA -0.039 4.300 4.340 -0.003 0.000 0.231 843 R C 2.459 178.598 176.300 -0.268 0.000 1.119 843 R CA 0.691 56.676 56.100 -0.191 0.000 0.970 843 R CB -0.176 30.011 30.300 -0.188 0.000 0.864 843 R HN 0.213 nan 8.270 nan 0.000 0.440 844 L N -0.328 120.665 121.223 -0.382 0.000 2.156 844 L HA -0.169 4.169 4.340 -0.003 0.000 0.208 844 L C 2.451 178.987 176.870 -0.557 0.000 1.095 844 L CA 0.648 55.111 54.840 -0.629 0.000 0.770 844 L CB -0.380 41.032 42.059 -1.077 0.000 0.914 844 L HN 0.277 nan 8.230 nan 0.000 0.439 845 C N -0.203 118.944 119.300 -0.256 0.000 2.419 845 C HA -0.131 4.327 4.460 -0.003 0.000 0.281 845 C C 2.906 177.670 174.990 -0.376 0.000 1.336 845 C CA 0.885 59.783 59.018 -0.201 0.000 1.770 845 C CB -0.958 26.827 27.740 0.075 0.000 1.929 845 C HN 0.443 nan 8.230 nan 0.000 0.509 846 R N -0.922 119.434 120.500 -0.241 0.000 2.123 846 R HA 0.099 4.437 4.340 -0.003 0.000 0.209 846 R C 2.019 178.203 176.300 -0.193 0.000 1.078 846 R CA 0.413 56.402 56.100 -0.185 0.000 1.028 846 R CB -0.385 29.846 30.300 -0.115 0.000 0.939 846 R HN 0.333 nan 8.270 nan 0.000 0.463 847 L N 0.756 121.846 121.223 -0.221 0.000 2.023 847 L HA -0.082 4.256 4.340 -0.003 0.000 0.205 847 L C 1.965 178.713 176.870 -0.204 0.000 1.073 847 L CA 1.582 56.302 54.840 -0.200 0.000 0.745 847 L CB -0.343 41.588 42.059 -0.213 0.000 0.900 847 L HN -0.118 nan 8.230 nan 0.000 0.435 848 V N 0.581 120.332 119.914 -0.272 0.000 2.255 848 V HA -0.207 3.911 4.120 -0.003 0.000 0.247 848 V C -0.043 175.968 176.094 -0.139 0.000 1.051 848 V CA 2.385 64.563 62.300 -0.205 0.000 1.018 848 V CB -1.979 29.717 31.823 -0.212 0.000 0.641 848 V HN 0.358 nan 8.190 nan 0.000 0.445 849 P HA -0.161 nan 4.420 nan 0.000 0.215 849 P C 1.651 178.903 177.300 -0.080 0.000 1.153 849 P CA 1.515 64.549 63.100 -0.110 0.000 0.853 849 P CB 0.072 31.694 31.700 -0.130 0.000 0.788 850 E N -0.130 120.017 120.200 -0.088 0.000 2.031 850 E HA -0.150 4.198 4.350 -0.003 0.000 0.193 850 E C 1.847 178.420 176.600 -0.045 0.000 0.994 850 E CA 1.401 57.767 56.400 -0.057 0.000 0.800 850 E CB -1.282 28.378 29.700 -0.066 0.000 0.752 850 E HN -0.097 nan 8.360 nan 0.000 0.447 851 V N 0.642 120.519 119.914 -0.063 0.000 2.332 851 V HA -0.304 3.814 4.120 -0.003 0.000 0.248 851 V C 2.520 178.604 176.094 -0.017 0.000 1.055 851 V CA 2.260 64.532 62.300 -0.046 0.000 1.038 851 V CB -0.541 31.244 31.823 -0.064 0.000 0.651 851 V HN 0.355 nan 8.190 nan 0.000 0.450 852 M N -0.674 118.903 119.600 -0.039 0.000 2.175 852 M HA -0.174 4.304 4.480 -0.003 0.000 0.264 852 M C 2.186 178.568 176.300 0.137 0.000 1.063 852 M CA 1.783 57.078 55.300 -0.008 0.000 1.119 852 M CB -0.458 31.974 32.600 -0.280 0.000 1.377 852 M HN 0.365 nan 8.290 nan 0.000 0.415 853 E N -0.192 120.048 120.200 0.067 0.000 2.208 853 E HA -0.146 4.202 4.350 -0.003 0.000 0.193 853 E C 1.640 178.275 176.600 0.060 0.000 0.988 853 E CA 0.667 57.129 56.400 0.104 0.000 0.828 853 E CB 0.089 29.819 29.700 0.050 0.000 0.763 853 E HN 0.454 nan 8.360 nan 0.000 0.478 854 Q N -0.519 119.299 119.800 0.029 0.000 2.280 854 Q HA 0.202 4.540 4.340 -0.003 0.000 0.201 854 Q C 1.645 177.644 176.000 -0.001 0.000 0.890 854 Q CA 0.231 56.036 55.803 0.004 0.000 0.947 854 Q CB 0.720 29.453 28.738 -0.009 0.000 1.081 854 Q HN 0.193 nan 8.270 nan 0.000 0.502 855 A N 0.992 123.825 122.820 0.021 0.000 1.917 855 A HA -0.050 4.269 4.320 -0.003 0.000 0.219 855 A C 1.323 178.888 177.584 -0.032 0.000 1.182 855 A CA 1.829 53.869 52.037 0.006 0.000 0.633 855 A CB -0.161 18.866 19.000 0.044 0.000 0.819 855 A HN 0.242 nan 8.150 nan 0.000 0.448 856 V N -5.532 114.349 119.914 -0.055 0.000 3.181 856 V HA 0.736 4.854 4.120 -0.003 0.000 0.308 856 V C -0.670 175.364 176.094 -0.099 0.000 1.214 856 V CA -0.540 61.705 62.300 -0.093 0.000 1.053 856 V CB 1.692 33.428 31.823 -0.144 0.000 1.069 856 V HN 0.002 nan 8.190 nan 0.000 0.441 857 T N 3.533 118.022 114.554 -0.108 0.000 2.791 857 T HA 0.715 5.063 4.350 -0.003 0.000 0.288 857 T C -0.356 174.254 174.700 -0.150 0.000 0.999 857 T CA -0.198 61.846 62.100 -0.094 0.000 0.952 857 T CB 0.637 69.477 68.868 -0.048 0.000 0.938 857 T HN 0.638 nan 8.240 nan 0.000 0.444 858 L N 2.184 123.297 121.223 -0.185 0.000 2.335 858 L HA 0.567 4.905 4.340 -0.003 0.000 0.268 858 L C 1.674 178.561 176.870 0.029 0.000 1.016 858 L CA -1.201 53.471 54.840 -0.279 0.000 0.805 858 L CB 1.146 42.948 42.059 -0.429 0.000 1.311 858 L HN 0.506 nan 8.230 nan 0.000 0.456 859 R N -0.117 120.565 120.500 0.304 0.000 2.316 859 R HA 0.014 4.352 4.340 -0.003 0.000 0.202 859 R C -0.123 176.236 176.300 0.098 0.000 1.029 859 R CA 0.399 56.607 56.100 0.180 0.000 1.018 859 R CB -0.197 30.197 30.300 0.156 0.000 0.888 859 R HN 0.508 nan 8.270 nan 0.000 0.471 860 V N -2.889 117.064 119.914 0.065 0.000 3.040 860 V HA 0.583 4.701 4.120 -0.003 0.000 0.312 860 V C -2.814 173.270 176.094 -0.018 0.000 1.115 860 V CA -3.257 59.065 62.300 0.038 0.000 0.998 860 V CB 2.256 34.107 31.823 0.046 0.000 1.042 860 V HN -0.209 nan 8.190 nan 0.000 0.433 861 P HA 0.455 nan 4.420 nan 0.000 0.272 861 P C -0.936 176.331 177.300 -0.056 0.000 1.230 861 P CA -0.274 62.818 63.100 -0.013 0.000 0.788 861 P CB 0.479 32.194 31.700 0.024 0.000 0.949 862 L N 1.587 122.793 121.223 -0.027 0.000 2.317 862 L HA 0.498 4.836 4.340 -0.003 0.000 0.281 862 L C 0.419 177.327 176.870 0.063 0.000 1.024 862 L CA -0.608 54.229 54.840 -0.005 0.000 0.810 862 L CB 1.423 43.503 42.059 0.035 0.000 1.240 862 L HN 0.290 nan 8.230 nan 0.000 0.427 863 K N 2.650 123.103 120.400 0.089 0.000 2.345 863 K HA 0.642 4.961 4.320 -0.003 0.000 0.255 863 K C -1.718 174.947 176.600 0.108 0.000 0.934 863 K CA -0.549 55.791 56.287 0.088 0.000 0.801 863 K CB 2.136 34.678 32.500 0.070 0.000 1.137 863 K HN 0.330 nan 8.250 nan 0.000 0.424 864 V N 4.059 124.011 119.914 0.063 0.000 2.487 864 V HA 0.269 4.387 4.120 -0.003 0.000 0.298 864 V C -0.685 175.450 176.094 0.069 0.000 1.028 864 V CA -0.905 61.398 62.300 0.005 0.000 0.860 864 V CB 1.709 33.471 31.823 -0.102 0.000 0.991 864 V HN 0.834 nan 8.190 nan 0.000 0.427 865 D N 3.382 123.787 120.400 0.008 0.000 2.277 865 D HA 0.633 5.271 4.640 -0.003 0.000 0.250 865 D C -0.871 175.341 176.300 -0.147 0.000 1.032 865 D CA 0.171 54.098 54.000 -0.122 0.000 0.947 865 D CB 2.119 42.840 40.800 -0.132 0.000 1.159 865 D HN 0.598 nan 8.370 nan 0.000 0.460 866 Y N -2.256 117.728 120.300 -0.526 0.000 2.581 866 Y HA 0.591 5.139 4.550 -0.003 0.000 0.337 866 Y C -1.018 174.273 175.900 -1.015 0.000 1.108 866 Y CA -0.972 56.750 58.100 -0.630 0.000 1.033 866 Y CB 1.540 39.768 38.460 -0.386 0.000 1.318 866 Y HN 0.292 nan 8.280 nan 0.000 0.459 867 H N 0.949 119.831 119.070 -0.313 0.000 3.037 867 H HA 0.475 5.029 4.556 -0.003 0.000 0.355 867 H C -1.792 173.371 175.328 -0.275 0.000 1.263 867 H CA -0.964 54.903 56.048 -0.301 0.000 1.129 867 H CB 2.675 32.289 29.762 -0.246 0.000 1.861 867 H HN 0.885 nan 8.280 nan 0.000 0.546 868 Y N -1.322 118.952 120.300 -0.045 0.000 2.571 868 Y HA 0.741 5.289 4.550 -0.003 0.000 0.341 868 Y C -0.446 175.499 175.900 0.076 0.000 1.076 868 Y CA -0.807 57.295 58.100 0.004 0.000 1.029 868 Y CB 1.711 40.223 38.460 0.087 0.000 1.308 868 Y HN 0.945 nan 8.280 nan 0.000 0.461 869 G N -0.125 108.858 108.800 0.305 0.000 2.548 869 G HA2 0.383 4.341 3.960 -0.003 0.000 0.301 869 G HA3 0.383 4.341 3.960 -0.003 0.000 0.301 869 G C -0.338 174.708 174.900 0.242 0.000 1.349 869 G CA -0.523 44.709 45.100 0.221 0.000 0.792 869 G HN 1.196 nan 8.290 nan 0.000 0.481 870 S N -1.615 114.204 115.700 0.198 0.000 2.515 870 S HA 0.251 4.720 4.470 -0.003 0.000 0.231 870 S C 1.099 175.816 174.600 0.196 0.000 0.987 870 S CA 1.563 59.873 58.200 0.184 0.000 0.936 870 S CB -0.434 62.852 63.200 0.144 0.000 0.766 870 S HN 1.784 nan 8.310 nan 0.000 0.528 871 T N -4.700 109.993 114.554 0.231 0.000 2.816 871 T HA 0.386 4.734 4.350 -0.003 0.000 0.299 871 T C -0.177 174.748 174.700 0.374 0.000 1.230 871 T CA -0.729 61.541 62.100 0.284 0.000 1.007 871 T CB 0.477 69.502 68.868 0.262 0.000 1.289 871 T HN 0.138 nan 8.240 nan 0.000 0.508 872 W N 0.678 122.097 121.300 0.199 0.000 2.342 872 W HA -0.091 4.567 4.660 -0.003 0.000 0.297 872 W C 1.854 178.447 176.519 0.122 0.000 1.213 872 W CA 1.052 58.481 57.345 0.141 0.000 1.251 872 W CB -1.080 28.446 29.460 0.109 0.000 1.136 872 W HN 0.903 nan 8.180 nan 0.000 0.526 873 Y N 1.581 121.973 120.300 0.154 0.000 2.181 873 Y HA -0.245 4.303 4.550 -0.003 0.000 0.288 873 Y C 2.118 178.014 175.900 -0.006 0.000 1.146 873 Y CA 2.621 60.706 58.100 -0.025 0.000 1.164 873 Y CB -0.640 37.815 38.460 -0.009 0.000 0.982 873 Y HN -0.141 nan 8.280 nan 0.000 0.515 874 D N 0.339 120.891 120.400 0.254 0.000 2.312 874 D HA -0.007 4.631 4.640 -0.003 0.000 0.211 874 D C 1.087 177.396 176.300 0.014 0.000 0.964 874 D CA 0.966 55.035 54.000 0.114 0.000 0.877 874 D CB -0.228 40.679 40.800 0.178 0.000 0.924 874 D HN 0.383 nan 8.370 nan 0.000 0.515 875 A N 1.745 124.622 122.820 0.094 0.000 2.900 875 A HA 0.074 4.392 4.320 -0.003 0.000 0.246 875 A C 0.680 178.256 177.584 -0.014 0.000 1.725 875 A CA -0.015 52.082 52.037 0.099 0.000 1.400 875 A CB -0.826 18.318 19.000 0.241 0.000 0.973 875 A HN 0.218 nan 8.150 nan 0.000 0.635 876 K N 0.000 120.273 120.400 -0.211 0.000 2.780 876 K HA 0.000 4.318 4.320 -0.003 0.000 0.191 876 K CA 0.000 55.974 56.287 -0.522 0.000 0.838 876 K CB 0.000 32.216 32.500 -0.473 0.000 1.064 876 K HN 0.000 nan 8.250 nan 0.000 0.543