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 1nkb_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 0.000 177.585 177.584 0.002 0.000 1.274 297 A CA 0.000 52.032 52.037 -0.008 0.000 0.836 297 A CB 0.000 18.994 19.000 -0.010 0.000 0.831 298 K N 1.553 121.955 120.400 0.004 0.000 2.508 298 K HA 0.428 4.745 4.320 -0.005 0.000 0.273 298 K C 0.266 176.888 176.600 0.037 0.000 0.964 298 K CA 1.288 57.588 56.287 0.022 0.000 0.948 298 K CB 0.083 32.586 32.500 0.005 0.000 0.917 298 K HN 1.647 nan 8.250 nan 0.000 0.512 299 M N 1.930 121.584 119.600 0.090 0.000 2.180 299 M HA 0.536 5.013 4.480 -0.005 0.000 0.350 299 M C 0.272 176.665 176.300 0.155 0.000 1.125 299 M CA -0.489 54.882 55.300 0.118 0.000 1.031 299 M CB 1.441 34.129 32.600 0.145 0.000 1.623 299 M HN 0.836 nan 8.290 nan 0.000 0.451 300 A N 5.031 127.887 122.820 0.059 0.000 2.462 300 A HA 0.600 4.917 4.320 -0.005 0.000 0.243 300 A C -0.802 176.828 177.584 0.078 0.000 1.076 300 A CA -0.043 51.975 52.037 -0.032 0.000 0.773 300 A CB -0.222 18.742 19.000 -0.060 0.000 1.010 300 A HN 0.946 nan 8.150 nan 0.000 0.493 301 F N -1.578 118.308 119.950 -0.107 0.000 2.769 301 F HA 0.541 5.065 4.527 -0.006 0.000 0.313 301 F C -0.714 175.013 175.800 -0.122 0.000 1.146 301 F CA -0.800 57.109 58.000 -0.151 0.000 0.934 301 F CB 0.685 39.628 39.000 -0.096 0.000 1.283 301 F HN 0.313 nan 8.300 nan 0.000 0.443 302 T N 3.313 117.915 114.554 0.080 0.000 2.733 302 T HA 0.406 4.753 4.350 -0.005 0.000 0.294 302 T C -0.408 174.502 174.700 0.350 0.000 0.956 302 T CA -0.265 61.885 62.100 0.084 0.000 0.987 302 T CB 0.887 69.787 68.868 0.052 0.000 0.920 302 T HN 0.770 nan 8.240 nan 0.000 0.470 303 L N 4.211 125.604 121.223 0.285 0.000 2.375 303 L HA 0.532 4.869 4.340 -0.005 0.000 0.276 303 L C 0.597 177.623 176.870 0.261 0.000 1.162 303 L CA -0.530 54.562 54.840 0.420 0.000 0.991 303 L CB -0.404 41.857 42.059 0.336 0.000 1.315 303 L HN 0.705 nan 8.230 nan 0.000 0.431 304 A N 2.761 125.726 122.820 0.242 0.000 2.425 304 A HA 0.173 4.490 4.320 -0.005 0.000 0.249 304 A C 0.535 178.158 177.584 0.065 0.000 1.084 304 A CA -0.366 51.747 52.037 0.127 0.000 0.781 304 A CB 0.241 19.302 19.000 0.101 0.000 1.019 304 A HN 0.733 nan 8.150 nan 0.000 0.490 305 D N 0.129 120.550 120.400 0.035 0.000 2.360 305 D HA 0.102 4.739 4.640 -0.005 0.000 0.210 305 D C 0.638 176.921 176.300 -0.029 0.000 1.047 305 D CA 0.695 54.701 54.000 0.010 0.000 0.854 305 D CB 0.371 41.181 40.800 0.017 0.000 0.936 305 D HN 0.606 nan 8.370 nan 0.000 0.514 306 R N 0.185 120.658 120.500 -0.044 0.000 2.680 306 R HA 0.354 4.691 4.340 -0.005 0.000 0.269 306 R C -1.519 174.715 176.300 -0.110 0.000 1.026 306 R CA -0.571 55.485 56.100 -0.073 0.000 0.889 306 R CB 1.804 32.076 30.300 -0.047 0.000 1.241 306 R HN -0.275 nan 8.270 nan 0.000 0.463 307 V N 2.590 122.420 119.914 -0.140 0.000 2.583 307 V HA 0.312 4.429 4.120 -0.005 0.000 0.287 307 V C 0.370 176.375 176.094 -0.147 0.000 1.051 307 V CA 0.015 62.207 62.300 -0.180 0.000 1.010 307 V CB 1.220 32.948 31.823 -0.159 0.000 0.988 307 V HN 0.943 nan 8.190 nan 0.000 0.478 308 T N 0.132 114.563 114.554 -0.205 0.000 2.916 308 T HA 0.435 4.782 4.350 -0.005 0.000 0.292 308 T C 0.701 175.265 174.700 -0.228 0.000 1.064 308 T CA -0.481 61.510 62.100 -0.182 0.000 1.011 308 T CB 1.958 70.728 68.868 -0.164 0.000 1.152 308 T HN 0.546 nan 8.240 nan 0.000 0.510 309 E N 0.641 120.737 120.200 -0.172 0.000 2.130 309 E HA -0.221 4.126 4.350 -0.005 0.000 0.196 309 E C 1.760 178.224 176.600 -0.227 0.000 0.998 309 E CA 2.002 58.303 56.400 -0.166 0.000 0.806 309 E CB -0.306 29.323 29.700 -0.118 0.000 0.738 309 E HN 0.770 nan 8.360 nan 0.000 0.459 310 E N -0.479 119.550 120.200 -0.284 0.000 2.160 310 E HA -0.206 4.141 4.350 -0.005 0.000 0.195 310 E C 1.881 178.277 176.600 -0.339 0.000 0.991 310 E CA 1.535 57.748 56.400 -0.312 0.000 0.810 310 E CB -0.200 29.343 29.700 -0.262 0.000 0.742 310 E HN 0.503 nan 8.360 nan 0.000 0.466 311 M N 0.213 119.431 119.600 -0.638 0.000 2.659 311 M HA 0.004 4.481 4.480 -0.005 0.000 0.243 311 M C 1.134 176.974 176.300 -0.767 0.000 1.111 311 M CA 0.691 55.514 55.300 -0.794 0.000 1.070 311 M CB 0.207 32.312 32.600 -0.825 0.000 1.525 311 M HN -0.000 nan 8.290 nan 0.000 0.517 312 L N 0.064 120.933 121.223 -0.590 0.000 2.928 312 L HA 0.459 4.796 4.340 -0.005 0.000 0.246 312 L C 0.817 177.609 176.870 -0.130 0.000 1.239 312 L CA -0.816 53.565 54.840 -0.764 0.000 1.035 312 L CB -0.578 41.220 42.059 -0.434 0.000 1.360 312 L HN 0.070 nan 8.230 nan 0.000 0.529 313 A N 0.794 123.620 122.820 0.009 0.000 2.492 313 A HA 0.036 4.353 4.320 -0.005 0.000 0.236 313 A C 0.957 178.750 177.584 0.348 0.000 1.078 313 A CA 0.188 52.342 52.037 0.195 0.000 0.773 313 A CB 0.152 19.238 19.000 0.143 0.000 1.023 313 A HN 0.541 nan 8.150 nan 0.000 0.504 314 D N -0.537 120.019 120.400 0.260 0.000 2.371 314 D HA 0.058 4.695 4.640 -0.005 0.000 0.234 314 D C 0.302 176.728 176.300 0.210 0.000 1.049 314 D CA 0.861 54.998 54.000 0.228 0.000 0.907 314 D CB -0.062 40.820 40.800 0.137 0.000 0.891 314 D HN 0.462 nan 8.370 nan 0.000 0.531 315 K N -0.457 120.107 120.400 0.273 0.000 2.561 315 K HA 0.629 4.946 4.320 -0.005 0.000 0.254 315 K C -2.021 174.832 176.600 0.421 0.000 0.942 315 K CA -0.713 55.756 56.287 0.304 0.000 0.818 315 K CB 1.805 34.464 32.500 0.265 0.000 1.306 315 K HN 0.050 nan 8.250 nan 0.000 0.435 316 A N 1.829 124.931 122.820 0.470 0.000 2.586 316 A HA 0.766 5.083 4.320 -0.005 0.000 0.291 316 A C -1.814 176.037 177.584 0.446 0.000 1.062 316 A CA -0.515 51.767 52.037 0.407 0.000 0.666 316 A CB 1.359 20.547 19.000 0.312 0.000 1.281 316 A HN 0.719 nan 8.150 nan 0.000 0.421 317 A N 0.313 123.359 122.820 0.376 0.000 2.289 317 A HA 0.661 4.978 4.320 -0.005 0.000 0.298 317 A C -0.682 177.048 177.584 0.243 0.000 1.208 317 A CA -0.251 51.996 52.037 0.350 0.000 0.845 317 A CB 0.303 19.523 19.000 0.368 0.000 1.125 317 A HN 1.896 nan 8.150 nan 0.000 0.517 318 L N 3.413 124.777 121.223 0.235 0.000 2.346 318 L HA 0.774 5.112 4.340 -0.005 0.000 0.274 318 L C -1.081 175.885 176.870 0.160 0.000 1.007 318 L CA -0.352 54.624 54.840 0.227 0.000 0.818 318 L CB 2.247 44.470 42.059 0.273 0.000 1.284 318 L HN 0.382 nan 8.230 nan 0.000 0.424 319 V N 5.438 125.436 119.914 0.140 0.000 2.482 319 V HA 0.449 4.566 4.120 -0.005 0.000 0.295 319 V C -0.786 175.366 176.094 0.097 0.000 1.026 319 V CA -0.557 61.803 62.300 0.099 0.000 0.856 319 V CB 1.861 33.721 31.823 0.061 0.000 1.001 319 V HN 0.505 nan 8.190 nan 0.000 0.424 320 V N 4.021 123.986 119.914 0.084 0.000 2.250 320 V HA 0.330 4.447 4.120 -0.005 0.000 0.268 320 V C 0.109 176.233 176.094 0.050 0.000 1.043 320 V CA -0.623 61.720 62.300 0.072 0.000 0.814 320 V CB 1.281 33.146 31.823 0.071 0.000 1.072 320 V HN 0.921 nan 8.190 nan 0.000 0.451 321 E N 3.400 123.635 120.200 0.058 0.000 2.299 321 E HA 0.310 4.657 4.350 -0.005 0.000 0.272 321 E C -0.750 175.866 176.600 0.026 0.000 1.043 321 E CA 0.212 56.647 56.400 0.058 0.000 0.895 321 E CB 1.052 30.814 29.700 0.105 0.000 1.011 321 E HN 0.415 nan 8.360 nan 0.000 0.432 322 V N 6.359 126.278 119.914 0.009 0.000 2.380 322 V HA 0.107 4.225 4.120 -0.005 0.000 0.286 322 V C 0.790 176.855 176.094 -0.050 0.000 1.015 322 V CA -0.575 61.720 62.300 -0.007 0.000 0.834 322 V CB 1.465 33.302 31.823 0.024 0.000 1.009 322 V HN 0.682 nan 8.190 nan 0.000 0.428 323 V N 2.204 122.036 119.914 -0.137 0.000 2.535 323 V HA 0.032 4.150 4.120 -0.005 0.000 0.246 323 V C 1.277 177.280 176.094 -0.153 0.000 1.045 323 V CA 0.897 63.033 62.300 -0.272 0.000 1.058 323 V CB -0.181 31.352 31.823 -0.483 0.000 0.689 323 V HN 0.805 nan 8.190 nan 0.000 0.461 324 E N 0.836 120.982 120.200 -0.090 0.000 2.465 324 E HA -0.058 4.289 4.350 -0.005 0.000 0.260 324 E C 1.158 177.740 176.600 -0.031 0.000 0.980 324 E CA 0.289 56.654 56.400 -0.059 0.000 0.927 324 E CB 0.715 30.384 29.700 -0.053 0.000 0.934 324 E HN 0.504 nan 8.360 nan 0.000 0.459 325 E N 1.856 122.035 120.200 -0.034 0.000 2.077 325 E HA -0.158 4.189 4.350 -0.005 0.000 0.193 325 E C 0.673 177.226 176.600 -0.078 0.000 0.989 325 E CA 0.625 57.011 56.400 -0.023 0.000 0.800 325 E CB 0.147 29.834 29.700 -0.021 0.000 0.746 325 E HN 0.276 nan 8.360 nan 0.000 0.452 326 N N 0.472 119.101 118.700 -0.118 0.000 2.437 326 N HA -0.038 4.699 4.740 -0.005 0.000 0.243 326 N C -0.074 175.310 175.510 -0.210 0.000 1.041 326 N CA -0.067 52.845 53.050 -0.231 0.000 0.940 326 N CB 0.478 38.884 38.487 -0.135 0.000 1.133 326 N HN 0.089 nan 8.380 nan 0.000 0.506 327 Y N 1.389 121.610 120.300 -0.131 0.000 2.529 327 Y HA 0.236 4.783 4.550 -0.005 0.000 0.290 327 Y C 0.389 176.149 175.900 -0.235 0.000 1.177 327 Y CA -0.394 57.608 58.100 -0.165 0.000 1.305 327 Y CB -0.881 37.498 38.460 -0.136 0.000 1.047 327 Y HN 0.382 nan 8.280 nan 0.000 0.522 328 H N 2.845 121.873 119.070 -0.069 0.000 3.026 328 H HA 0.007 4.561 4.556 -0.004 0.000 0.289 328 H C 0.293 175.080 175.328 -0.901 0.000 1.022 328 H CA 0.997 56.839 56.048 -0.343 0.000 1.477 328 H CB 0.377 29.993 29.762 -0.244 0.000 1.510 328 H HN 0.345 nan 8.280 nan 0.000 0.535 329 D N 0.881 120.442 120.400 -1.399 0.000 2.837 329 D HA -0.176 4.461 4.640 -0.005 0.000 0.230 329 D C -0.213 175.865 176.300 -0.370 0.000 1.152 329 D CA 0.867 54.306 54.000 -0.935 0.000 0.736 329 D CB -0.719 39.363 40.800 -1.197 0.000 1.084 329 D HN 0.754 nan 8.370 nan 0.000 0.429 330 A N 0.153 122.842 122.820 -0.219 0.000 2.269 330 A HA 0.746 5.063 4.320 -0.005 0.000 0.319 330 A C -2.115 175.442 177.584 -0.046 0.000 1.110 330 A CA -0.888 51.086 52.037 -0.105 0.000 0.847 330 A CB 0.896 19.862 19.000 -0.056 0.000 1.161 330 A HN 0.170 nan 8.150 nan 0.000 0.497 331 P HA 0.428 nan 4.420 nan 0.000 0.281 331 P C -1.044 176.256 177.300 -0.001 0.000 1.249 331 P CA -0.120 62.974 63.100 -0.011 0.000 0.810 331 P CB 0.872 32.565 31.700 -0.012 0.000 1.008 332 I N 2.368 122.945 120.570 0.012 0.000 2.312 332 I HA 0.044 4.211 4.170 -0.005 0.000 0.290 332 I C 1.671 177.800 176.117 0.020 0.000 1.008 332 I CA -0.572 60.738 61.300 0.017 0.000 1.226 332 I CB 1.621 39.635 38.000 0.024 0.000 1.371 332 I HN 0.157 nan 8.210 nan 0.000 0.468 333 V N 3.057 122.990 119.914 0.031 0.000 3.306 333 V HA 0.488 4.605 4.120 -0.005 0.000 0.264 333 V C 0.726 176.887 176.094 0.112 0.000 1.149 333 V CA 0.650 62.989 62.300 0.064 0.000 1.143 333 V CB -0.680 31.184 31.823 0.067 0.000 0.767 333 V HN 0.851 nan 8.190 nan 0.000 0.476 334 G N -0.590 108.255 108.800 0.074 0.000 2.377 334 G HA2 0.549 4.506 3.960 -0.005 0.000 0.297 334 G HA3 0.549 4.506 3.960 -0.005 0.000 0.297 334 G C -1.694 173.165 174.900 -0.068 0.000 1.547 334 G CA -0.716 44.402 45.100 0.030 0.000 0.833 334 G HN 0.201 nan 8.290 nan 0.000 0.583 335 I N 0.360 120.732 120.570 -0.330 0.000 2.647 335 I HA 0.730 4.897 4.170 -0.005 0.000 0.295 335 I C 0.152 176.131 176.117 -0.231 0.000 1.078 335 I CA -1.035 60.142 61.300 -0.205 0.000 1.048 335 I CB 2.329 40.204 38.000 -0.208 0.000 1.239 335 I HN 0.852 nan 8.210 nan 0.000 0.421 336 A N 5.424 128.234 122.820 -0.017 0.000 2.393 336 A HA 0.878 5.195 4.320 -0.005 0.000 0.306 336 A C -1.334 176.301 177.584 0.084 0.000 1.050 336 A CA -0.526 51.534 52.037 0.039 0.000 0.724 336 A CB 1.800 20.836 19.000 0.060 0.000 1.248 336 A HN 0.392 nan 8.150 nan 0.000 0.424 337 V N 2.003 121.984 119.914 0.111 0.000 2.638 337 V HA 0.610 4.727 4.120 -0.005 0.000 0.306 337 V C -0.723 175.452 176.094 0.135 0.000 1.052 337 V CA -0.554 61.824 62.300 0.129 0.000 0.885 337 V CB 1.767 33.625 31.823 0.059 0.000 0.999 337 V HN 0.714 nan 8.190 nan 0.000 0.424 338 V N 5.202 125.110 119.914 -0.010 0.000 2.525 338 V HA 0.667 4.784 4.120 -0.005 0.000 0.299 338 V C -0.488 175.227 176.094 -0.631 0.000 1.034 338 V CA -0.437 61.715 62.300 -0.247 0.000 0.863 338 V CB 1.853 33.499 31.823 -0.295 0.000 0.999 338 V HN 1.146 nan 8.190 nan 0.000 0.423 339 N N 2.058 120.365 118.700 -0.655 0.000 3.418 339 N HA 0.266 5.004 4.740 -0.005 0.000 0.316 339 N C 0.762 175.921 175.510 -0.584 0.000 1.601 339 N CA -0.586 51.952 53.050 -0.853 0.000 0.805 339 N CB 0.692 39.015 38.487 -0.273 0.000 1.873 339 N HN 0.376 nan 8.380 nan 0.000 0.615 340 E N -1.096 118.915 120.200 -0.316 0.000 2.130 340 E HA -0.263 4.084 4.350 -0.005 0.000 0.196 340 E C 0.496 176.976 176.600 -0.201 0.000 0.998 340 E CA 1.483 57.773 56.400 -0.184 0.000 0.806 340 E CB -0.207 29.329 29.700 -0.273 0.000 0.738 340 E HN 0.509 nan 8.360 nan 0.000 0.459 341 H N -0.908 118.201 119.070 0.066 0.000 2.547 341 H HA 0.222 4.775 4.556 -0.005 0.000 0.272 341 H C 1.176 176.556 175.328 0.086 0.000 0.989 341 H CA 0.959 57.078 56.048 0.117 0.000 1.214 341 H CB 0.716 30.587 29.762 0.182 0.000 1.389 341 H HN 0.320 nan 8.280 nan 0.000 0.577 342 G N 0.262 109.092 108.800 0.051 0.000 2.302 342 G HA2 0.028 3.985 3.960 -0.005 0.000 0.276 342 G HA3 0.028 3.985 3.960 -0.005 0.000 0.276 342 G C -1.353 173.306 174.900 -0.401 0.000 1.316 342 G CA -1.146 43.821 45.100 -0.221 0.000 0.988 342 G HN 0.156 nan 8.290 nan 0.000 0.479 343 R N -0.492 119.631 120.500 -0.629 0.000 2.494 343 R HA 0.710 5.047 4.340 -0.005 0.000 0.305 343 R C -1.426 174.485 176.300 -0.647 0.000 0.959 343 R CA -0.448 55.401 56.100 -0.420 0.000 0.864 343 R CB 1.444 31.661 30.300 -0.139 0.000 1.159 343 R HN 0.311 nan 8.270 nan 0.000 0.446 344 F N 1.753 121.725 119.950 0.037 0.000 2.588 344 F HA 0.483 5.010 4.527 0.001 0.000 0.310 344 F C -0.604 175.236 175.800 0.067 0.000 1.082 344 F CA -1.184 56.863 58.000 0.078 0.000 0.929 344 F CB 1.519 40.512 39.000 -0.012 0.000 1.254 344 F HN 0.351 nan 8.300 nan 0.000 0.455 345 F N 3.406 123.449 119.950 0.156 0.000 2.507 345 F HA 0.820 5.345 4.527 -0.004 0.000 0.325 345 F C -1.819 173.999 175.800 0.030 0.000 1.116 345 F CA -0.902 57.106 58.000 0.014 0.000 0.930 345 F CB 1.098 40.060 39.000 -0.064 0.000 1.146 345 F HN 0.337 nan 8.300 nan 0.000 0.447 346 L N 6.073 126.765 121.223 -0.886 0.000 2.381 346 L HA 0.577 4.914 4.340 -0.005 0.000 0.268 346 L C -0.416 175.911 176.870 -0.906 0.000 0.997 346 L CA -1.046 53.382 54.840 -0.687 0.000 0.818 346 L CB 2.254 43.968 42.059 -0.574 0.000 1.310 346 L HN 0.568 nan 8.230 nan 0.000 0.416 347 R N 2.521 122.739 120.500 -0.471 0.000 2.438 347 R HA 0.178 4.515 4.340 -0.005 0.000 0.287 347 R C -1.725 174.431 176.300 -0.241 0.000 1.077 347 R CA -1.582 54.358 56.100 -0.266 0.000 1.034 347 R CB 0.742 31.010 30.300 -0.053 0.000 0.993 347 R HN 0.320 nan 8.270 nan 0.000 0.459 348 P HA -0.286 nan 4.420 nan 0.000 0.214 348 P C 1.054 178.306 177.300 -0.080 0.000 1.169 348 P CA 1.367 64.401 63.100 -0.110 0.000 0.908 348 P CB 0.106 31.780 31.700 -0.043 0.000 0.791 349 E N -0.751 119.420 120.200 -0.048 0.000 2.209 349 E HA -0.161 4.186 4.350 -0.005 0.000 0.196 349 E C 1.369 177.940 176.600 -0.047 0.000 0.993 349 E CA 1.740 58.123 56.400 -0.029 0.000 0.819 349 E CB -1.681 28.012 29.700 -0.012 0.000 0.745 349 E HN 0.229 nan 8.360 nan 0.000 0.477 350 T N 1.310 115.811 114.554 -0.088 0.000 2.755 350 T HA 0.178 4.525 4.350 -0.005 0.000 0.251 350 T C 2.076 176.685 174.700 -0.153 0.000 1.044 350 T CA 1.512 63.548 62.100 -0.108 0.000 1.154 350 T CB -0.422 68.369 68.868 -0.128 0.000 0.866 350 T HN 0.394 nan 8.240 nan 0.000 0.416 351 A N 1.594 124.244 122.820 -0.283 0.000 1.883 351 A HA -0.014 4.304 4.320 -0.005 0.000 0.217 351 A C 2.236 179.751 177.584 -0.114 0.000 1.186 351 A CA 1.362 53.110 52.037 -0.481 0.000 0.624 351 A CB -1.073 17.323 19.000 -1.006 0.000 0.822 351 A HN 0.481 nan 8.150 nan 0.000 0.444 352 L N -1.129 120.087 121.223 -0.012 0.000 2.456 352 L HA -0.094 4.244 4.340 -0.005 0.000 0.224 352 L C 2.577 179.498 176.870 0.084 0.000 1.148 352 L CA 0.684 55.594 54.840 0.118 0.000 0.825 352 L CB -0.376 41.732 42.059 0.082 0.000 0.937 352 L HN 0.480 nan 8.230 nan 0.000 0.450 353 A N -1.783 121.059 122.820 0.036 0.000 2.220 353 A HA -0.030 4.287 4.320 -0.005 0.000 0.211 353 A C 0.819 178.426 177.584 0.039 0.000 1.176 353 A CA -0.102 51.954 52.037 0.031 0.000 0.834 353 A CB -0.045 18.959 19.000 0.008 0.000 0.868 353 A HN 0.227 nan 8.150 nan 0.000 0.488 354 D N 0.356 120.788 120.400 0.052 0.000 2.325 354 D HA 0.202 4.839 4.640 -0.005 0.000 0.251 354 D C -1.834 174.531 176.300 0.109 0.000 1.196 354 D CA -1.630 52.408 54.000 0.064 0.000 0.866 354 D CB 1.411 42.238 40.800 0.044 0.000 1.101 354 D HN -0.023 nan 8.370 nan 0.000 0.476 355 P HA -0.168 nan 4.420 nan 0.000 0.216 355 P C 1.036 178.385 177.300 0.082 0.000 1.153 355 P CA 1.280 64.420 63.100 0.066 0.000 0.858 355 P CB 0.431 32.155 31.700 0.041 0.000 0.789 356 Q N -1.884 117.969 119.800 0.088 0.000 2.046 356 Q HA -0.125 4.212 4.340 -0.005 0.000 0.200 356 Q C 1.961 178.056 176.000 0.159 0.000 0.975 356 Q CA 1.380 57.240 55.803 0.096 0.000 0.836 356 Q CB -1.386 27.389 28.738 0.061 0.000 0.896 356 Q HN 0.216 nan 8.270 nan 0.000 0.428 357 F N 0.101 120.070 119.950 0.032 0.000 2.102 357 F HA -0.199 4.325 4.527 -0.005 0.000 0.298 357 F C 1.900 177.803 175.800 0.171 0.000 1.105 357 F CA 1.004 59.051 58.000 0.078 0.000 1.239 357 F CB -0.336 38.663 39.000 -0.001 0.000 0.991 357 F HN -0.129 nan 8.300 nan 0.000 0.474 358 V N 0.456 120.465 119.914 0.158 0.000 2.332 358 V HA -0.340 3.777 4.120 -0.005 0.000 0.248 358 V C 2.707 178.790 176.094 -0.019 0.000 1.055 358 V CA 1.856 64.182 62.300 0.044 0.000 1.038 358 V CB -1.660 30.208 31.823 0.075 0.000 0.651 358 V HN 0.481 nan 8.190 nan 0.000 0.450 359 A N -1.059 121.777 122.820 0.026 0.000 1.930 359 A HA -0.267 4.051 4.320 -0.005 0.000 0.217 359 A C 1.952 179.534 177.584 -0.003 0.000 1.175 359 A CA 1.795 53.838 52.037 0.009 0.000 0.627 359 A CB -0.866 18.156 19.000 0.037 0.000 0.815 359 A HN 0.746 nan 8.150 nan 0.000 0.443 360 W N 0.709 121.903 121.300 -0.176 0.000 2.358 360 W HA -0.136 4.521 4.660 -0.005 0.000 0.303 360 W C 1.683 178.040 176.519 -0.270 0.000 1.208 360 W CA 1.778 58.997 57.345 -0.211 0.000 1.274 360 W CB -0.284 29.028 29.460 -0.246 0.000 1.138 360 W HN 0.245 nan 8.180 nan 0.000 0.515 361 L N 0.226 121.249 121.223 -0.334 0.000 2.046 361 L HA -0.112 4.225 4.340 -0.005 0.000 0.208 361 L C 2.502 179.133 176.870 -0.398 0.000 1.077 361 L CA 1.598 56.143 54.840 -0.492 0.000 0.747 361 L CB -1.414 40.448 42.059 -0.330 0.000 0.896 361 L HN 0.234 nan 8.230 nan 0.000 0.432 362 G N -1.789 106.856 108.800 -0.258 0.000 2.985 362 G HA2 -0.123 3.834 3.960 -0.005 0.000 0.209 362 G HA3 -0.123 3.834 3.960 -0.005 0.000 0.209 362 G C 0.239 175.023 174.900 -0.194 0.000 1.165 362 G CA -0.197 44.785 45.100 -0.198 0.000 0.776 362 G HN 0.152 nan 8.290 nan 0.000 0.541 363 D N 0.824 121.075 120.400 -0.247 0.000 2.352 363 D HA 0.112 4.749 4.640 -0.005 0.000 0.245 363 D C 1.276 177.439 176.300 -0.229 0.000 1.224 363 D CA -0.363 53.516 54.000 -0.201 0.000 0.879 363 D CB 1.273 41.966 40.800 -0.179 0.000 1.057 363 D HN 0.124 nan 8.370 nan 0.000 0.491 364 E N 2.003 122.108 120.200 -0.158 0.000 2.265 364 E HA -0.165 4.183 4.350 -0.005 0.000 0.196 364 E C 1.508 178.036 176.600 -0.120 0.000 0.996 364 E CA 1.534 57.851 56.400 -0.139 0.000 0.832 364 E CB 0.012 29.654 29.700 -0.097 0.000 0.756 364 E HN 0.516 nan 8.360 nan 0.000 0.491 365 T N -2.349 112.142 114.554 -0.105 0.000 3.088 365 T HA 0.096 4.443 4.350 -0.005 0.000 0.259 365 T C 0.562 175.218 174.700 -0.073 0.000 1.122 365 T CA -0.137 61.922 62.100 -0.068 0.000 1.095 365 T CB 0.080 68.926 68.868 -0.037 0.000 0.930 365 T HN -0.174 nan 8.240 nan 0.000 0.508 366 K N 2.840 123.146 120.400 -0.157 0.000 2.268 366 K HA 0.334 4.651 4.320 -0.005 0.000 0.276 366 K C -0.352 176.108 176.600 -0.233 0.000 1.080 366 K CA -0.350 55.822 56.287 -0.192 0.000 0.910 366 K CB 1.066 33.280 32.500 -0.477 0.000 1.163 366 K HN 0.189 nan 8.250 nan 0.000 0.465 367 K N 2.845 123.201 120.400 -0.074 0.000 2.297 367 K HA 0.232 4.549 4.320 -0.005 0.000 0.286 367 K C -0.082 176.523 176.600 0.010 0.000 1.053 367 K CA -0.501 55.761 56.287 -0.041 0.000 0.940 367 K CB 0.742 33.252 32.500 0.018 0.000 1.019 367 K HN 0.258 nan 8.250 nan 0.000 0.475 368 K N 0.706 121.089 120.400 -0.028 0.000 2.259 368 K HA 0.382 4.699 4.320 -0.005 0.000 0.252 368 K C -0.597 176.075 176.600 0.119 0.000 0.936 368 K CA -0.447 55.871 56.287 0.052 0.000 0.810 368 K CB 1.902 34.364 32.500 -0.064 0.000 1.143 368 K HN 0.298 nan 8.250 nan 0.000 0.427 369 S N 2.698 118.526 115.700 0.213 0.000 2.454 369 S HA 0.627 5.095 4.470 -0.005 0.000 0.306 369 S C -0.619 174.117 174.600 0.225 0.000 1.100 369 S CA -0.775 57.594 58.200 0.281 0.000 1.087 369 S CB 0.487 63.896 63.200 0.348 0.000 1.019 369 S HN 0.463 nan 8.310 nan 0.000 0.480 370 M N 1.769 121.456 119.600 0.145 0.000 2.948 370 M HA 0.583 5.060 4.480 -0.005 0.000 0.278 370 M C -1.684 174.649 176.300 0.055 0.000 1.293 370 M CA -0.724 54.636 55.300 0.099 0.000 0.777 370 M CB 1.560 34.183 32.600 0.039 0.000 1.713 370 M HN 0.588 nan 8.290 nan 0.000 0.444 371 F N 1.846 121.754 119.950 -0.070 0.000 2.553 371 F HA 0.355 4.880 4.527 -0.004 0.000 0.335 371 F C -0.488 175.260 175.800 -0.086 0.000 1.148 371 F CA -0.281 57.658 58.000 -0.101 0.000 0.963 371 F CB 0.759 39.717 39.000 -0.070 0.000 1.217 371 F HN 0.693 nan 8.300 nan 0.000 0.441 372 D N 3.330 123.463 120.400 -0.444 0.000 2.760 372 D HA -0.214 4.423 4.640 -0.005 0.000 0.244 372 D C 0.983 177.192 176.300 -0.152 0.000 1.123 372 D CA 1.016 54.851 54.000 -0.274 0.000 0.719 372 D CB -0.790 39.947 40.800 -0.106 0.000 1.045 372 D HN 0.610 nan 8.370 nan 0.000 0.426 373 S N 0.408 116.009 115.700 -0.166 0.000 2.419 373 S HA -0.243 4.225 4.470 -0.005 0.000 0.233 373 S C 1.863 176.364 174.600 -0.165 0.000 1.016 373 S CA 1.438 59.557 58.200 -0.134 0.000 0.974 373 S CB -0.017 63.108 63.200 -0.126 0.000 0.786 373 S HN 0.554 nan 8.310 nan 0.000 0.492 374 K N 1.792 122.085 120.400 -0.179 0.000 2.057 374 K HA -0.117 4.200 4.320 -0.005 0.000 0.207 374 K C 2.519 178.874 176.600 -0.408 0.000 1.049 374 K CA 1.282 57.449 56.287 -0.201 0.000 0.931 374 K CB -0.253 32.178 32.500 -0.113 0.000 0.714 374 K HN 0.470 nan 8.250 nan 0.000 0.440 375 R N 0.177 120.378 120.500 -0.499 0.000 2.083 375 R HA -0.163 4.174 4.340 -0.005 0.000 0.237 375 R C 2.116 178.086 176.300 -0.549 0.000 1.137 375 R CA 1.675 57.248 56.100 -0.878 0.000 0.951 375 R CB -0.445 29.638 30.300 -0.363 0.000 0.851 375 R HN 0.284 nan 8.270 nan 0.000 0.434 376 A N 0.734 123.390 122.820 -0.272 0.000 1.873 376 A HA -0.056 4.261 4.320 -0.005 0.000 0.215 376 A C 2.424 179.911 177.584 -0.161 0.000 1.186 376 A CA 1.617 53.561 52.037 -0.156 0.000 0.616 376 A CB -0.889 18.063 19.000 -0.080 0.000 0.823 376 A HN 0.578 nan 8.150 nan 0.000 0.442 377 A N -0.579 122.130 122.820 -0.186 0.000 1.908 377 A HA -0.040 4.277 4.320 -0.005 0.000 0.218 377 A C 2.244 179.723 177.584 -0.176 0.000 1.181 377 A CA 1.973 53.909 52.037 -0.168 0.000 0.627 377 A CB -0.913 17.993 19.000 -0.157 0.000 0.818 377 A HN 0.402 nan 8.150 nan 0.000 0.445 378 V N -0.361 119.438 119.914 -0.191 0.000 2.323 378 V HA -0.177 3.941 4.120 -0.005 0.000 0.244 378 V C 3.050 179.223 176.094 0.132 0.000 1.041 378 V CA 1.737 64.013 62.300 -0.041 0.000 1.025 378 V CB -1.212 30.640 31.823 0.049 0.000 0.656 378 V HN 0.611 nan 8.190 nan 0.000 0.451 379 A N -0.178 122.664 122.820 0.038 0.000 1.940 379 A HA -0.185 4.133 4.320 -0.005 0.000 0.219 379 A C 2.201 179.855 177.584 0.118 0.000 1.176 379 A CA 1.881 53.993 52.037 0.124 0.000 0.631 379 A CB -0.532 18.479 19.000 0.018 0.000 0.814 379 A HN 0.523 nan 8.150 nan 0.000 0.446 380 L N -1.200 120.027 121.223 0.008 0.000 2.156 380 L HA -0.117 4.220 4.340 -0.005 0.000 0.208 380 L C 2.510 179.326 176.870 -0.091 0.000 1.095 380 L CA 1.263 56.090 54.840 -0.022 0.000 0.770 380 L CB -0.351 41.673 42.059 -0.059 0.000 0.914 380 L HN 0.320 nan 8.230 nan 0.000 0.439 381 K N -0.503 119.751 120.400 -0.244 0.000 2.103 381 K HA -0.204 4.113 4.320 -0.005 0.000 0.207 381 K C 1.882 178.186 176.600 -0.493 0.000 1.048 381 K CA 1.737 57.633 56.287 -0.652 0.000 0.930 381 K CB -0.228 31.457 32.500 -1.359 0.000 0.716 381 K HN 0.267 nan 8.250 nan 0.000 0.444 382 W N 1.226 122.448 121.300 -0.130 0.000 2.525 382 W HA -0.066 4.591 4.660 -0.005 0.000 0.259 382 W C 1.367 177.933 176.519 0.079 0.000 1.253 382 W CA 0.656 58.102 57.345 0.169 0.000 1.262 382 W CB 0.215 29.793 29.460 0.196 0.000 1.122 382 W HN -0.057 nan 8.180 nan 0.000 0.607 383 K N -0.333 120.187 120.400 0.200 0.000 2.372 383 K HA 0.249 4.566 4.320 -0.005 0.000 0.200 383 K C 1.301 177.939 176.600 0.064 0.000 1.022 383 K CA 0.509 56.873 56.287 0.128 0.000 1.125 383 K CB 0.358 32.916 32.500 0.096 0.000 0.855 383 K HN 0.040 nan 8.250 nan 0.000 0.524 384 G N 2.022 110.834 108.800 0.020 0.000 2.160 384 G HA2 -0.267 3.690 3.960 -0.005 0.000 0.251 384 G HA3 -0.267 3.690 3.960 -0.005 0.000 0.251 384 G C -0.011 174.866 174.900 -0.037 0.000 1.008 384 G CA 0.066 45.158 45.100 -0.014 0.000 0.724 384 G HN 0.282 nan 8.290 nan 0.000 0.514 385 I N 0.267 120.803 120.570 -0.056 0.000 2.406 385 I HA 0.373 4.540 4.170 -0.005 0.000 0.290 385 I C 0.307 176.361 176.117 -0.104 0.000 0.999 385 I CA -0.766 60.501 61.300 -0.055 0.000 1.124 385 I CB 1.848 39.839 38.000 -0.014 0.000 1.289 385 I HN 0.194 nan 8.210 nan 0.000 0.441 386 E N 6.267 126.403 120.200 -0.106 0.000 2.227 386 E HA 0.344 4.691 4.350 -0.005 0.000 0.282 386 E C -1.489 175.026 176.600 -0.142 0.000 1.015 386 E CA -0.833 55.488 56.400 -0.131 0.000 0.823 386 E CB 1.613 31.244 29.700 -0.115 0.000 1.081 386 E HN 0.389 nan 8.360 nan 0.000 0.396 387 L N 5.899 127.029 121.223 -0.154 0.000 2.287 387 L HA 0.420 4.757 4.340 -0.005 0.000 0.287 387 L C -1.460 175.304 176.870 -0.176 0.000 1.022 387 L CA -0.192 54.543 54.840 -0.174 0.000 0.814 387 L CB 0.726 42.692 42.059 -0.154 0.000 1.217 387 L HN 0.675 nan 8.230 nan 0.000 0.420 388 C N 2.305 121.477 119.300 -0.213 0.000 3.108 388 C HA 0.828 5.285 4.460 -0.005 0.000 0.321 388 C C 1.132 175.985 174.990 -0.229 0.000 1.357 388 C CA 0.008 58.912 59.018 -0.190 0.000 1.562 388 C CB 1.420 29.059 27.740 -0.168 0.000 2.003 388 C HN 1.085 nan 8.230 nan 0.000 0.460 389 G N 0.326 109.020 108.800 -0.176 0.000 2.148 389 G HA2 -0.188 3.769 3.960 -0.005 0.000 0.254 389 G HA3 -0.188 3.769 3.960 -0.005 0.000 0.254 389 G C -0.080 174.740 174.900 -0.134 0.000 0.981 389 G CA 0.312 45.309 45.100 -0.171 0.000 0.670 389 G HN 0.868 nan 8.290 nan 0.000 0.528 390 V N 2.124 121.968 119.914 -0.116 0.000 2.403 390 V HA 0.375 4.492 4.120 -0.005 0.000 0.265 390 V C 1.570 177.646 176.094 -0.030 0.000 1.034 390 V CA 1.084 63.341 62.300 -0.072 0.000 1.036 390 V CB 1.017 32.788 31.823 -0.085 0.000 1.032 390 V HN 0.845 nan 8.190 nan 0.000 0.478 391 S N 4.146 119.859 115.700 0.022 0.000 2.524 391 S HA 0.283 4.750 4.470 -0.005 0.000 0.215 391 S C -0.148 174.549 174.600 0.163 0.000 0.986 391 S CA -0.178 58.058 58.200 0.061 0.000 0.911 391 S CB 0.097 63.328 63.200 0.052 0.000 0.805 391 S HN 0.573 nan 8.310 nan 0.000 0.501 392 F N 1.524 121.455 119.950 -0.031 0.000 2.623 392 F HA 0.498 5.022 4.527 -0.004 0.000 0.323 392 F C -2.212 173.562 175.800 -0.043 0.000 1.158 392 F CA -0.936 57.046 58.000 -0.030 0.000 1.030 392 F CB 1.653 40.640 39.000 -0.023 0.000 1.280 392 F HN -0.018 nan 8.300 nan 0.000 0.474 393 D N 6.344 126.260 120.400 -0.808 0.000 2.454 393 D HA 0.157 4.794 4.640 -0.005 0.000 0.247 393 D C 0.684 176.376 176.300 -1.012 0.000 1.129 393 D CA -0.288 53.302 54.000 -0.683 0.000 0.877 393 D CB 1.638 42.193 40.800 -0.409 0.000 1.082 393 D HN 0.686 nan 8.370 nan 0.000 0.537 394 L N 5.112 125.779 121.223 -0.926 0.000 2.081 394 L HA -0.147 4.190 4.340 -0.005 0.000 0.212 394 L C 1.899 178.453 176.870 -0.525 0.000 1.080 394 L CA 1.597 56.035 54.840 -0.671 0.000 0.754 394 L CB -0.598 41.375 42.059 -0.144 0.000 0.893 394 L HN 0.536 nan 8.230 nan 0.000 0.433 395 L N -0.928 119.800 121.223 -0.824 0.000 2.017 395 L HA -0.199 4.138 4.340 -0.005 0.000 0.208 395 L C 2.275 178.933 176.870 -0.353 0.000 1.073 395 L CA 1.922 56.236 54.840 -0.876 0.000 0.745 395 L CB -0.642 40.624 42.059 -1.323 0.000 0.894 395 L HN 0.292 nan 8.230 nan 0.000 0.432 396 L N -0.621 120.402 121.223 -0.332 0.000 2.093 396 L HA -0.135 4.203 4.340 -0.005 0.000 0.208 396 L C 2.685 179.553 176.870 -0.003 0.000 1.085 396 L CA 0.997 55.768 54.840 -0.115 0.000 0.755 396 L CB -0.985 40.986 42.059 -0.147 0.000 0.904 396 L HN 0.408 nan 8.230 nan 0.000 0.435 397 A N 0.295 123.048 122.820 -0.112 0.000 1.877 397 A HA -0.169 4.148 4.320 -0.005 0.000 0.216 397 A C 2.562 180.309 177.584 0.271 0.000 1.186 397 A CA 1.766 53.856 52.037 0.089 0.000 0.620 397 A CB -0.746 18.321 19.000 0.112 0.000 0.822 397 A HN 0.378 nan 8.150 nan 0.000 0.443 398 A N -1.511 121.469 122.820 0.266 0.000 1.902 398 A HA -0.134 4.183 4.320 -0.005 0.000 0.217 398 A C 2.152 179.901 177.584 0.275 0.000 1.181 398 A CA 1.781 54.065 52.037 0.412 0.000 0.623 398 A CB -0.868 18.341 19.000 0.348 0.000 0.818 398 A HN 0.762 nan 8.150 nan 0.000 0.443 399 Y N 0.589 120.934 120.300 0.074 0.000 2.165 399 Y HA -0.179 4.368 4.550 -0.005 0.000 0.286 399 Y C 1.922 177.857 175.900 0.059 0.000 1.155 399 Y CA 1.836 59.967 58.100 0.052 0.000 1.164 399 Y CB -0.361 38.100 38.460 0.001 0.000 0.978 399 Y HN 0.221 nan 8.280 nan 0.000 0.513 400 L N -0.743 120.469 121.223 -0.018 0.000 2.093 400 L HA -0.219 4.118 4.340 -0.005 0.000 0.208 400 L C 2.477 179.302 176.870 -0.075 0.000 1.085 400 L CA 0.991 55.758 54.840 -0.122 0.000 0.755 400 L CB -0.585 41.474 42.059 0.001 0.000 0.904 400 L HN 0.285 nan 8.230 nan 0.000 0.435 401 L N -0.817 120.424 121.223 0.030 0.000 2.046 401 L HA -0.117 4.221 4.340 -0.005 0.000 0.208 401 L C 0.356 177.276 176.870 0.083 0.000 1.077 401 L CA 1.054 55.919 54.840 0.042 0.000 0.747 401 L CB -0.070 42.020 42.059 0.052 0.000 0.896 401 L HN 0.264 nan 8.230 nan 0.000 0.432 402 D N -2.414 118.029 120.400 0.071 0.000 2.362 402 D HA 0.146 4.783 4.640 -0.005 0.000 0.232 402 D C -2.117 174.220 176.300 0.063 0.000 1.329 402 D CA -1.199 52.868 54.000 0.112 0.000 0.944 402 D CB 1.205 42.082 40.800 0.128 0.000 1.471 402 D HN -0.244 nan 8.370 nan 0.000 0.533 403 P HA -0.060 nan 4.420 nan 0.000 0.219 403 P C 1.129 178.497 177.300 0.114 0.000 1.146 403 P CA 1.086 64.188 63.100 0.003 0.000 0.808 403 P CB 0.333 31.944 31.700 -0.149 0.000 0.779 404 A N -0.616 122.257 122.820 0.088 0.000 2.121 404 A HA -0.179 4.138 4.320 -0.005 0.000 0.218 404 A C 2.143 179.780 177.584 0.087 0.000 1.154 404 A CA 1.112 53.199 52.037 0.084 0.000 0.679 404 A CB -0.911 18.132 19.000 0.072 0.000 0.795 404 A HN 0.084 nan 8.150 nan 0.000 0.458 405 Q N -1.053 118.807 119.800 0.100 0.000 2.291 405 Q HA -0.018 4.319 4.340 -0.005 0.000 0.205 405 Q C 1.410 177.480 176.000 0.116 0.000 0.970 405 Q CA 0.922 56.784 55.803 0.099 0.000 0.876 405 Q CB -0.512 28.292 28.738 0.111 0.000 0.935 405 Q HN 0.965 nan 8.270 nan 0.000 0.455 406 G N 0.686 109.569 108.800 0.139 0.000 2.198 406 G HA2 -0.269 3.688 3.960 -0.005 0.000 0.260 406 G HA3 -0.269 3.688 3.960 -0.005 0.000 0.260 406 G C 0.166 175.159 174.900 0.155 0.000 1.025 406 G CA 0.343 45.527 45.100 0.140 0.000 0.769 406 G HN 0.232 nan 8.290 nan 0.000 0.507 407 V N 1.061 121.087 119.914 0.186 0.000 2.475 407 V HA 0.245 4.362 4.120 -0.005 0.000 0.292 407 V C 1.193 177.438 176.094 0.251 0.000 1.003 407 V CA 1.630 64.064 62.300 0.222 0.000 1.120 407 V CB 0.697 32.679 31.823 0.265 0.000 0.937 407 V HN 0.706 nan 8.190 nan 0.000 0.476 408 D N 1.334 121.885 120.400 0.252 0.000 2.527 408 D HA 0.188 4.825 4.640 -0.005 0.000 0.224 408 D C -0.118 176.372 176.300 0.316 0.000 1.217 408 D CA -0.248 53.920 54.000 0.281 0.000 0.819 408 D CB 0.424 41.329 40.800 0.174 0.000 1.061 408 D HN 0.624 nan 8.370 nan 0.000 0.515 409 D N -1.358 119.150 120.400 0.180 0.000 2.599 409 D HA 0.089 4.726 4.640 -0.005 0.000 0.252 409 D C 0.902 176.818 176.300 -0.641 0.000 1.232 409 D CA -0.925 52.907 54.000 -0.280 0.000 0.819 409 D CB 1.322 42.066 40.800 -0.093 0.000 1.401 409 D HN -0.206 nan 8.370 nan 0.000 0.429 410 V N 0.822 120.116 119.914 -1.033 0.000 2.332 410 V HA -0.222 3.895 4.120 -0.005 0.000 0.248 410 V C 2.618 178.586 176.094 -0.209 0.000 1.055 410 V CA 2.902 64.792 62.300 -0.684 0.000 1.038 410 V CB -1.126 30.392 31.823 -0.509 0.000 0.651 410 V HN 0.801 nan 8.190 nan 0.000 0.450 411 A N -0.080 122.675 122.820 -0.109 0.000 1.908 411 A HA -0.187 4.130 4.320 -0.005 0.000 0.218 411 A C 2.441 180.063 177.584 0.063 0.000 1.181 411 A CA 2.344 54.395 52.037 0.023 0.000 0.627 411 A CB -0.843 18.183 19.000 0.045 0.000 0.818 411 A HN 0.605 nan 8.150 nan 0.000 0.445 412 A N -0.262 122.591 122.820 0.056 0.000 1.902 412 A HA 0.148 4.465 4.320 -0.005 0.000 0.217 412 A C 2.529 180.212 177.584 0.166 0.000 1.181 412 A CA 2.232 54.334 52.037 0.110 0.000 0.623 412 A CB -1.056 18.017 19.000 0.122 0.000 0.818 412 A HN 1.087 nan 8.150 nan 0.000 0.443 413 A N -0.154 122.778 122.820 0.187 0.000 1.877 413 A HA 0.173 4.490 4.320 -0.005 0.000 0.216 413 A C 2.515 180.294 177.584 0.325 0.000 1.186 413 A CA 2.094 54.300 52.037 0.282 0.000 0.620 413 A CB -1.084 18.036 19.000 0.201 0.000 0.822 413 A HN 1.115 nan 8.150 nan 0.000 0.443 414 A N -0.392 122.541 122.820 0.189 0.000 1.978 414 A HA -0.186 4.131 4.320 -0.005 0.000 0.220 414 A C 2.092 179.838 177.584 0.270 0.000 1.170 414 A CA 1.999 54.166 52.037 0.216 0.000 0.636 414 A CB -0.449 18.642 19.000 0.151 0.000 0.810 414 A HN 0.548 nan 8.150 nan 0.000 0.448 415 K N -0.913 119.613 120.400 0.211 0.000 2.280 415 K HA -0.022 4.295 4.320 -0.005 0.000 0.202 415 K C 1.839 178.527 176.600 0.146 0.000 1.047 415 K CA 1.196 57.581 56.287 0.164 0.000 0.942 415 K CB -0.226 32.346 32.500 0.121 0.000 0.739 415 K HN 0.532 nan 8.250 nan 0.000 0.457 416 M N 0.232 119.938 119.600 0.177 0.000 2.358 416 M HA -0.106 4.371 4.480 -0.005 0.000 0.264 416 M C 0.759 177.094 176.300 0.058 0.000 1.064 416 M CA 1.275 56.641 55.300 0.109 0.000 1.093 416 M CB 0.341 33.023 32.600 0.136 0.000 1.401 416 M HN -0.132 nan 8.290 nan 0.000 0.440 417 K N 0.385 120.866 120.400 0.135 0.000 2.618 417 K HA 0.152 4.469 4.320 -0.005 0.000 0.207 417 K C -0.075 176.610 176.600 0.143 0.000 1.058 417 K CA 0.074 56.425 56.287 0.106 0.000 1.086 417 K CB 0.649 33.240 32.500 0.152 0.000 0.827 417 K HN 0.196 nan 8.250 nan 0.000 0.481 418 Q N -0.795 119.080 119.800 0.125 0.000 2.481 418 Q HA -0.267 4.070 4.340 -0.005 0.000 0.272 418 Q C -0.682 175.404 176.000 0.143 0.000 1.157 418 Q CA 0.942 56.808 55.803 0.105 0.000 0.935 418 Q CB -2.910 25.864 28.738 0.060 0.000 1.338 418 Q HN 0.454 nan 8.270 nan 0.000 0.494 419 Y N 0.231 120.575 120.300 0.072 0.000 2.342 419 Y HA 0.371 4.922 4.550 0.001 0.000 0.338 419 Y C 0.702 176.640 175.900 0.063 0.000 0.965 419 Y CA -0.543 57.600 58.100 0.072 0.000 1.159 419 Y CB 0.932 39.451 38.460 0.098 0.000 1.157 419 Y HN 0.041 nan 8.280 nan 0.000 0.486 420 E N 3.525 123.701 120.200 -0.040 0.000 2.758 420 E HA 0.274 4.621 4.350 -0.005 0.000 0.215 420 E C 0.192 176.770 176.600 -0.036 0.000 0.985 420 E CA -0.107 56.311 56.400 0.030 0.000 1.102 420 E CB 0.748 30.455 29.700 0.011 0.000 1.042 420 E HN 0.641 nan 8.360 nan 0.000 0.480 421 A N 1.384 124.080 122.820 -0.206 0.000 2.728 421 A HA 0.311 4.628 4.320 -0.005 0.000 0.258 421 A C -0.066 177.592 177.584 0.122 0.000 1.454 421 A CA 0.045 52.012 52.037 -0.116 0.000 1.146 421 A CB -0.007 18.811 19.000 -0.304 0.000 0.985 421 A HN 0.105 nan 8.150 nan 0.000 0.603 422 V N -0.374 119.632 119.914 0.153 0.000 3.000 422 V HA 0.457 4.574 4.120 -0.005 0.000 0.300 422 V C -1.084 175.085 176.094 0.125 0.000 1.251 422 V CA -0.978 61.422 62.300 0.167 0.000 0.972 422 V CB 1.993 33.934 31.823 0.196 0.000 1.065 422 V HN 0.671 nan 8.190 nan 0.000 0.431 423 R N 5.194 125.774 120.500 0.135 0.000 2.500 423 R HA 0.576 4.913 4.340 -0.005 0.000 0.277 423 R C -2.592 173.752 176.300 0.073 0.000 1.026 423 R CA -1.696 54.434 56.100 0.050 0.000 1.058 423 R CB 1.117 31.372 30.300 -0.074 0.000 1.078 423 R HN 0.490 nan 8.270 nan 0.000 0.509 424 P HA -0.016 nan 4.420 nan 0.000 0.271 424 P C -0.230 177.055 177.300 -0.025 0.000 1.218 424 P CA -0.053 63.058 63.100 0.019 0.000 0.780 424 P CB 0.625 32.330 31.700 0.008 0.000 0.901 425 D N 1.446 121.881 120.400 0.059 0.000 2.123 425 D HA -0.196 4.441 4.640 -0.005 0.000 0.196 425 D C 1.565 177.876 176.300 0.018 0.000 0.992 425 D CA 1.416 55.475 54.000 0.098 0.000 0.833 425 D CB -0.183 40.790 40.800 0.288 0.000 0.954 425 D HN 0.601 nan 8.370 nan 0.000 0.455 426 E N 0.342 120.571 120.200 0.048 0.000 2.160 426 E HA -0.162 4.186 4.350 -0.005 0.000 0.195 426 E C 1.879 178.461 176.600 -0.031 0.000 0.991 426 E CA 0.995 57.420 56.400 0.042 0.000 0.810 426 E CB 0.041 29.768 29.700 0.044 0.000 0.742 426 E HN 0.187 nan 8.360 nan 0.000 0.466 427 A N 0.068 122.835 122.820 -0.089 0.000 2.014 427 A HA -0.063 4.254 4.320 -0.005 0.000 0.218 427 A C 2.209 179.665 177.584 -0.214 0.000 1.163 427 A CA 1.028 52.992 52.037 -0.121 0.000 0.652 427 A CB -0.047 18.885 19.000 -0.113 0.000 0.808 427 A HN 0.212 nan 8.150 nan 0.000 0.449 428 V N -2.068 117.614 119.914 -0.388 0.000 2.500 428 V HA -0.103 4.015 4.120 -0.005 0.000 0.243 428 V C 1.932 177.737 176.094 -0.482 0.000 1.039 428 V CA 1.255 63.197 62.300 -0.595 0.000 1.053 428 V CB -0.839 30.277 31.823 -1.179 0.000 0.695 428 V HN 0.633 nan 8.190 nan 0.000 0.463 429 Y N 0.827 121.076 120.300 -0.084 0.000 2.482 429 Y HA 0.542 5.090 4.550 -0.003 0.000 0.270 429 Y C 1.472 177.359 175.900 -0.022 0.000 1.152 429 Y CA 0.098 58.177 58.100 -0.033 0.000 1.292 429 Y CB -0.400 38.058 38.460 -0.003 0.000 1.070 429 Y HN 0.327 nan 8.280 nan 0.000 0.528 430 G N 0.922 109.765 108.800 0.072 0.000 2.760 430 G HA2 -0.238 3.719 3.960 -0.005 0.000 0.246 430 G HA3 -0.238 3.719 3.960 -0.005 0.000 0.246 430 G C -0.767 174.173 174.900 0.067 0.000 1.359 430 G CA -0.454 44.676 45.100 0.050 0.000 0.861 430 G HN 0.241 nan 8.290 nan 0.000 0.541 431 K N -0.169 120.258 120.400 0.045 0.000 2.375 431 K HA 0.616 4.933 4.320 -0.005 0.000 0.249 431 K C 1.161 177.781 176.600 0.033 0.000 0.942 431 K CA 0.536 56.848 56.287 0.042 0.000 0.806 431 K CB 1.399 33.919 32.500 0.034 0.000 1.227 431 K HN 2.520 nan 8.250 nan 0.000 0.430 432 G N 1.838 110.656 108.800 0.030 0.000 2.614 432 G HA2 -0.442 3.515 3.960 -0.005 0.000 0.303 432 G HA3 -0.442 3.515 3.960 -0.005 0.000 0.303 432 G C 0.921 175.832 174.900 0.018 0.000 1.270 432 G CA 0.687 45.800 45.100 0.021 0.000 0.988 432 G HN 0.910 nan 8.290 nan 0.000 0.551 433 A N -0.536 122.292 122.820 0.014 0.000 1.958 433 A HA -0.089 4.228 4.320 -0.005 0.000 0.221 433 A C 2.141 179.734 177.584 0.015 0.000 1.178 433 A CA 2.608 54.652 52.037 0.012 0.000 0.642 433 A CB -0.425 18.581 19.000 0.009 0.000 0.816 433 A HN 0.692 nan 8.150 nan 0.000 0.453 434 K N -0.667 119.744 120.400 0.018 0.000 2.505 434 K HA 0.059 4.376 4.320 -0.005 0.000 0.192 434 K C 0.755 177.374 176.600 0.032 0.000 1.025 434 K CA -0.262 56.038 56.287 0.021 0.000 1.086 434 K CB 0.030 32.540 32.500 0.018 0.000 0.840 434 K HN 0.404 nan 8.250 nan 0.000 0.514 435 R N 1.306 121.828 120.500 0.036 0.000 2.590 435 R HA 0.241 4.578 4.340 -0.005 0.000 0.274 435 R C -0.927 175.405 176.300 0.055 0.000 1.061 435 R CA 0.173 56.307 56.100 0.056 0.000 1.081 435 R CB 0.515 30.841 30.300 0.043 0.000 0.984 435 R HN 0.109 nan 8.270 nan 0.000 0.448 436 A N 3.039 125.915 122.820 0.093 0.000 2.590 436 A HA 0.278 4.595 4.320 -0.005 0.000 0.296 436 A C -1.392 176.293 177.584 0.168 0.000 1.050 436 A CA -0.785 51.304 52.037 0.087 0.000 0.697 436 A CB 1.252 20.288 19.000 0.060 0.000 1.277 436 A HN 0.448 nan 8.150 nan 0.000 0.411 437 V N 4.002 123.996 119.914 0.133 0.000 2.470 437 V HA 0.368 4.486 4.120 -0.005 0.000 0.276 437 V C -1.239 174.948 176.094 0.156 0.000 1.040 437 V CA -0.477 61.947 62.300 0.206 0.000 1.008 437 V CB 0.460 32.352 31.823 0.114 0.000 0.990 437 V HN 0.866 nan 8.190 nan 0.000 0.477 438 P HA 0.247 nan 4.420 nan 0.000 0.277 438 P C -0.537 176.794 177.300 0.052 0.000 1.276 438 P CA -0.632 62.505 63.100 0.062 0.000 0.788 438 P CB 0.733 32.432 31.700 -0.002 0.000 1.114 439 D N -0.006 120.407 120.400 0.021 0.000 2.378 439 D HA -0.041 4.596 4.640 -0.005 0.000 0.238 439 D C 1.342 177.641 176.300 -0.001 0.000 1.180 439 D CA 0.027 54.036 54.000 0.015 0.000 0.895 439 D CB 0.607 41.409 40.800 0.004 0.000 1.192 439 D HN 0.512 nan 8.370 nan 0.000 0.438 440 E N 1.188 121.387 120.200 -0.002 0.000 2.108 440 E HA -0.208 4.139 4.350 -0.005 0.000 0.203 440 E C -0.848 175.671 176.600 -0.135 0.000 1.022 440 E CA 1.427 57.795 56.400 -0.054 0.000 0.823 440 E CB -0.389 29.305 29.700 -0.011 0.000 0.744 440 E HN 0.351 nan 8.360 nan 0.000 0.456 441 P HA -0.137 nan 4.420 nan 0.000 0.215 441 P C 1.586 178.858 177.300 -0.047 0.000 1.153 441 P CA 1.189 64.261 63.100 -0.046 0.000 0.853 441 P CB -0.015 31.672 31.700 -0.021 0.000 0.788 442 V N -0.025 119.858 119.914 -0.051 0.000 2.453 442 V HA -0.174 3.943 4.120 -0.005 0.000 0.247 442 V C 2.708 178.761 176.094 -0.068 0.000 1.048 442 V CA 1.251 63.518 62.300 -0.054 0.000 1.049 442 V CB -1.239 30.547 31.823 -0.061 0.000 0.672 442 V HN 0.011 nan 8.190 nan 0.000 0.457 443 L N 1.066 122.247 121.223 -0.071 0.000 2.017 443 L HA -0.062 4.275 4.340 -0.005 0.000 0.208 443 L C 2.479 179.254 176.870 -0.158 0.000 1.073 443 L CA 2.422 57.246 54.840 -0.028 0.000 0.745 443 L CB -1.021 41.062 42.059 0.040 0.000 0.894 443 L HN 0.215 nan 8.230 nan 0.000 0.432 444 A N -0.892 121.635 122.820 -0.488 0.000 1.883 444 A HA -0.285 4.032 4.320 -0.005 0.000 0.217 444 A C 2.347 179.558 177.584 -0.622 0.000 1.186 444 A CA 1.917 53.399 52.037 -0.924 0.000 0.624 444 A CB -0.803 17.477 19.000 -1.201 0.000 0.822 444 A HN 0.624 nan 8.150 nan 0.000 0.444 445 E N -1.431 118.591 120.200 -0.297 0.000 2.110 445 E HA -0.276 4.071 4.350 -0.005 0.000 0.193 445 E C 1.915 178.461 176.600 -0.091 0.000 0.988 445 E CA 1.334 57.646 56.400 -0.147 0.000 0.804 445 E CB -0.197 29.559 29.700 0.092 0.000 0.745 445 E HN 0.790 nan 8.360 nan 0.000 0.458 446 H N 0.659 119.639 119.070 -0.151 0.000 2.299 446 H HA -0.055 4.497 4.556 -0.006 0.000 0.302 446 H C 2.036 177.318 175.328 -0.077 0.000 1.078 446 H CA 1.796 57.777 56.048 -0.111 0.000 1.323 446 H CB -0.340 29.334 29.762 -0.146 0.000 1.381 446 H HN 0.130 nan 8.280 nan 0.000 0.498 447 L N -0.560 120.571 121.223 -0.152 0.000 2.083 447 L HA -0.144 4.193 4.340 -0.005 0.000 0.209 447 L C 2.543 179.331 176.870 -0.136 0.000 1.083 447 L CA 1.067 55.825 54.840 -0.136 0.000 0.752 447 L CB -0.489 41.620 42.059 0.083 0.000 0.899 447 L HN 0.205 nan 8.230 nan 0.000 0.433 448 V N -0.209 119.580 119.914 -0.207 0.000 2.427 448 V HA -0.222 3.895 4.120 -0.005 0.000 0.248 448 V C 2.605 178.638 176.094 -0.102 0.000 1.051 448 V CA 1.545 63.718 62.300 -0.212 0.000 1.048 448 V CB -0.541 30.981 31.823 -0.502 0.000 0.666 448 V HN 0.396 nan 8.190 nan 0.000 0.456 449 R N -0.138 120.313 120.500 -0.082 0.000 2.092 449 R HA -0.107 4.231 4.340 -0.005 0.000 0.231 449 R C 2.409 178.704 176.300 -0.009 0.000 1.119 449 R CA 1.149 57.255 56.100 0.010 0.000 0.970 449 R CB -0.206 30.128 30.300 0.056 0.000 0.864 449 R HN 0.491 nan 8.270 nan 0.000 0.440 450 K N 0.154 120.481 120.400 -0.122 0.000 2.025 450 K HA -0.058 4.259 4.320 -0.005 0.000 0.207 450 K C 2.151 178.720 176.600 -0.051 0.000 1.049 450 K CA 1.300 57.503 56.287 -0.140 0.000 0.933 450 K CB -0.125 32.216 32.500 -0.265 0.000 0.714 450 K HN 0.117 nan 8.250 nan 0.000 0.438 451 A N 1.681 124.487 122.820 -0.022 0.000 1.933 451 A HA -0.119 4.198 4.320 -0.005 0.000 0.218 451 A C 2.387 180.023 177.584 0.086 0.000 1.175 451 A CA 1.868 53.932 52.037 0.045 0.000 0.628 451 A CB -0.592 18.429 19.000 0.035 0.000 0.814 451 A HN 0.338 nan 8.150 nan 0.000 0.444 452 A N -0.151 122.707 122.820 0.063 0.000 1.902 452 A HA 0.172 4.489 4.320 -0.005 0.000 0.217 452 A C 2.503 180.154 177.584 0.113 0.000 1.181 452 A CA 2.046 54.158 52.037 0.125 0.000 0.623 452 A CB -0.984 18.097 19.000 0.136 0.000 0.818 452 A HN 1.028 nan 8.150 nan 0.000 0.443 453 A N 0.004 122.808 122.820 -0.027 0.000 1.877 453 A HA -0.077 4.240 4.320 -0.005 0.000 0.216 453 A C 2.119 179.578 177.584 -0.209 0.000 1.186 453 A CA 1.508 53.316 52.037 -0.381 0.000 0.620 453 A CB -0.628 18.156 19.000 -0.360 0.000 0.822 453 A HN 0.491 nan 8.150 nan 0.000 0.443 454 I N -1.704 118.853 120.570 -0.022 0.000 2.163 454 I HA -0.307 3.860 4.170 -0.005 0.000 0.243 454 I C 2.540 178.738 176.117 0.134 0.000 1.085 454 I CA 1.595 62.947 61.300 0.085 0.000 1.347 454 I CB -0.384 37.718 38.000 0.170 0.000 1.044 454 I HN 0.712 nan 8.210 nan 0.000 0.408 455 W N 2.101 123.389 121.300 -0.020 0.000 2.321 455 W HA -0.307 4.347 4.660 -0.009 0.000 0.306 455 W C 2.426 178.919 176.519 -0.044 0.000 1.217 455 W CA 2.193 59.531 57.345 -0.012 0.000 1.257 455 W CB -0.036 29.435 29.460 0.018 0.000 1.145 455 W HN 0.190 nan 8.180 nan 0.000 0.509 456 E N 0.528 120.760 120.200 0.053 0.000 2.112 456 E HA -0.148 4.199 4.350 -0.005 0.000 0.190 456 E C 2.210 178.753 176.600 -0.095 0.000 0.979 456 E CA 1.508 57.882 56.400 -0.044 0.000 0.814 456 E CB -0.866 28.863 29.700 0.050 0.000 0.762 456 E HN 0.341 nan 8.360 nan 0.000 0.460 457 L N 0.408 121.568 121.223 -0.105 0.000 2.418 457 L HA 0.069 4.406 4.340 -0.005 0.000 0.218 457 L C 2.437 179.306 176.870 -0.001 0.000 1.125 457 L CA 0.662 55.511 54.840 0.014 0.000 0.835 457 L CB -0.348 41.712 42.059 0.003 0.000 0.953 457 L HN 0.239 nan 8.230 nan 0.000 0.454 458 E N 0.916 120.964 120.200 -0.253 0.000 2.048 458 E HA -0.338 4.009 4.350 -0.005 0.000 0.202 458 E C 2.290 178.599 176.600 -0.486 0.000 1.021 458 E CA 1.765 57.726 56.400 -0.731 0.000 0.825 458 E CB 0.069 29.280 29.700 -0.814 0.000 0.756 458 E HN 0.175 nan 8.360 nan 0.000 0.454 459 R N 0.484 120.797 120.500 -0.311 0.000 2.083 459 R HA -0.083 4.254 4.340 -0.005 0.000 0.237 459 R C -0.903 175.349 176.300 -0.081 0.000 1.137 459 R CA 1.995 57.976 56.100 -0.198 0.000 0.951 459 R CB -1.499 28.694 30.300 -0.178 0.000 0.851 459 R HN 0.243 nan 8.270 nan 0.000 0.434 460 P HA -0.083 nan 4.420 nan 0.000 0.215 460 P C 1.033 178.343 177.300 0.015 0.000 1.157 460 P CA 1.290 64.396 63.100 0.011 0.000 0.868 460 P CB -0.175 31.559 31.700 0.057 0.000 0.788 461 F N -0.951 118.990 119.950 -0.014 0.000 2.102 461 F HA -0.124 4.399 4.527 -0.007 0.000 0.298 461 F C 2.276 178.114 175.800 0.064 0.000 1.105 461 F CA 1.328 59.373 58.000 0.076 0.000 1.239 461 F CB -1.254 37.894 39.000 0.246 0.000 0.991 461 F HN -0.208 nan 8.300 nan 0.000 0.474 462 L N -0.539 120.779 121.223 0.159 0.000 2.083 462 L HA -0.228 4.109 4.340 -0.005 0.000 0.209 462 L C 2.031 178.919 176.870 0.029 0.000 1.083 462 L CA 1.130 56.022 54.840 0.086 0.000 0.752 462 L CB -0.640 41.400 42.059 -0.031 0.000 0.899 462 L HN 0.069 nan 8.230 nan 0.000 0.433 463 D N -0.241 120.154 120.400 -0.008 0.000 2.117 463 D HA -0.219 4.418 4.640 -0.005 0.000 0.197 463 D C 2.036 178.318 176.300 -0.031 0.000 0.987 463 D CA 1.144 55.128 54.000 -0.026 0.000 0.829 463 D CB 0.029 40.805 40.800 -0.040 0.000 0.961 463 D HN 0.370 nan 8.370 nan 0.000 0.460 464 E N 0.152 120.322 120.200 -0.050 0.000 2.106 464 E HA -0.091 4.256 4.350 -0.005 0.000 0.192 464 E C 2.266 178.842 176.600 -0.040 0.000 0.984 464 E CA 0.283 56.640 56.400 -0.071 0.000 0.806 464 E CB 0.009 29.624 29.700 -0.142 0.000 0.750 464 E HN 0.200 nan 8.360 nan 0.000 0.458 465 L N 0.352 121.576 121.223 0.002 0.000 2.046 465 L HA -0.164 4.173 4.340 -0.005 0.000 0.208 465 L C 2.765 179.637 176.870 0.004 0.000 1.077 465 L CA 1.030 55.884 54.840 0.024 0.000 0.747 465 L CB -0.312 41.801 42.059 0.089 0.000 0.896 465 L HN 0.066 nan 8.230 nan 0.000 0.432 466 R N 0.606 121.108 120.500 0.003 0.000 2.081 466 R HA -0.168 4.169 4.340 -0.005 0.000 0.235 466 R C 2.354 178.638 176.300 -0.028 0.000 1.131 466 R CA 1.553 57.648 56.100 -0.009 0.000 0.960 466 R CB -0.449 29.845 30.300 -0.009 0.000 0.856 466 R HN 0.144 nan 8.270 nan 0.000 0.436 467 R N -0.136 120.345 120.500 -0.032 0.000 2.105 467 R HA -0.068 4.269 4.340 -0.005 0.000 0.239 467 R C 0.824 177.094 176.300 -0.051 0.000 1.135 467 R CA 1.779 57.856 56.100 -0.037 0.000 0.967 467 R CB -0.190 30.088 30.300 -0.037 0.000 0.861 467 R HN 0.233 nan 8.270 nan 0.000 0.442 468 N N 0.988 119.651 118.700 -0.061 0.000 2.461 468 N HA -0.044 4.693 4.740 -0.005 0.000 0.188 468 N C -0.617 174.827 175.510 -0.109 0.000 1.134 468 N CA 0.542 53.538 53.050 -0.090 0.000 0.878 468 N CB 0.306 38.734 38.487 -0.099 0.000 0.972 468 N HN 0.220 nan 8.380 nan 0.000 0.456 469 E N -0.547 119.596 120.200 -0.096 0.000 2.513 469 E HA -0.268 4.079 4.350 -0.005 0.000 0.257 469 E C -0.224 176.336 176.600 -0.066 0.000 1.098 469 E CA 0.300 56.621 56.400 -0.131 0.000 0.752 469 E CB -1.592 27.922 29.700 -0.310 0.000 1.324 469 E HN 0.563 nan 8.360 nan 0.000 0.403 470 Q N -0.494 119.301 119.800 -0.008 0.000 2.189 470 Q HA -0.013 4.324 4.340 -0.005 0.000 0.223 470 Q C 1.481 177.514 176.000 0.056 0.000 0.828 470 Q CA 0.304 56.133 55.803 0.043 0.000 0.967 470 Q CB 0.460 29.211 28.738 0.021 0.000 1.139 470 Q HN 0.370 nan 8.270 nan 0.000 0.497 471 D N 1.242 121.670 120.400 0.047 0.000 2.123 471 D HA -0.225 4.412 4.640 -0.005 0.000 0.196 471 D C 1.500 177.836 176.300 0.060 0.000 0.992 471 D CA 1.068 55.103 54.000 0.058 0.000 0.833 471 D CB -0.106 40.720 40.800 0.043 0.000 0.954 471 D HN 0.175 nan 8.370 nan 0.000 0.455 472 R N -0.351 120.184 120.500 0.058 0.000 2.148 472 R HA 0.036 4.373 4.340 -0.005 0.000 0.223 472 R C 2.419 178.748 176.300 0.049 0.000 1.088 472 R CA 0.255 56.386 56.100 0.052 0.000 0.985 472 R CB -0.304 30.029 30.300 0.055 0.000 0.880 472 R HN 0.149 nan 8.270 nan 0.000 0.451 473 L N 0.989 122.249 121.223 0.060 0.000 2.083 473 L HA -0.133 4.204 4.340 -0.005 0.000 0.209 473 L C 1.941 178.835 176.870 0.041 0.000 1.083 473 L CA 1.506 56.374 54.840 0.047 0.000 0.752 473 L CB -0.413 41.680 42.059 0.057 0.000 0.899 473 L HN 0.131 nan 8.230 nan 0.000 0.433 474 L N -1.624 119.629 121.223 0.050 0.000 2.007 474 L HA -0.068 4.269 4.340 -0.005 0.000 0.205 474 L C 2.276 179.165 176.870 0.030 0.000 1.073 474 L CA 1.731 56.597 54.840 0.044 0.000 0.744 474 L CB -0.619 41.482 42.059 0.069 0.000 0.898 474 L HN 0.046 nan 8.230 nan 0.000 0.435 475 V N -0.348 119.592 119.914 0.043 0.000 2.427 475 V HA -0.192 3.925 4.120 -0.005 0.000 0.248 475 V C 2.195 178.298 176.094 0.016 0.000 1.051 475 V CA 2.012 64.333 62.300 0.034 0.000 1.048 475 V CB -0.593 31.256 31.823 0.044 0.000 0.666 475 V HN 0.506 nan 8.190 nan 0.000 0.456 476 E N -1.230 118.980 120.200 0.017 0.000 2.460 476 E HA 0.130 4.477 4.350 -0.005 0.000 0.200 476 E C 1.504 178.104 176.600 0.001 0.000 1.011 476 E CA 0.117 56.521 56.400 0.007 0.000 0.912 476 E CB 0.693 30.398 29.700 0.009 0.000 0.953 476 E HN 0.435 nan 8.360 nan 0.000 0.494 477 L N 0.055 121.281 121.223 0.005 0.000 2.919 477 L HA 0.124 4.461 4.340 -0.005 0.000 0.169 477 L C 1.725 178.595 176.870 -0.001 0.000 1.228 477 L CA 0.505 55.346 54.840 0.001 0.000 0.862 477 L CB 0.230 42.291 42.059 0.005 0.000 1.313 477 L HN -0.215 nan 8.230 nan 0.000 0.526 478 E N 0.148 120.353 120.200 0.009 0.000 2.077 478 E HA -0.250 4.097 4.350 -0.005 0.000 0.193 478 E C 2.018 178.604 176.600 -0.025 0.000 0.989 478 E CA 1.547 57.950 56.400 0.005 0.000 0.800 478 E CB -0.233 29.487 29.700 0.033 0.000 0.746 478 E HN 0.609 nan 8.360 nan 0.000 0.452 479 Q N -0.393 119.388 119.800 -0.031 0.000 2.079 479 Q HA -0.077 4.260 4.340 -0.005 0.000 0.200 479 Q C -0.589 175.385 176.000 -0.044 0.000 0.974 479 Q CA 1.210 56.982 55.803 -0.051 0.000 0.840 479 Q CB -0.688 28.020 28.738 -0.049 0.000 0.898 479 Q HN 0.244 nan 8.270 nan 0.000 0.430 480 P HA -0.133 nan 4.420 nan 0.000 0.220 480 P C 1.181 178.461 177.300 -0.032 0.000 1.152 480 P CA 0.765 63.846 63.100 -0.031 0.000 0.812 480 P CB 0.060 31.746 31.700 -0.023 0.000 0.792 481 L N -0.522 120.683 121.223 -0.030 0.000 2.141 481 L HA -0.094 4.243 4.340 -0.005 0.000 0.209 481 L C 2.361 179.209 176.870 -0.037 0.000 1.094 481 L CA 1.812 56.631 54.840 -0.035 0.000 0.763 481 L CB -1.458 40.581 42.059 -0.033 0.000 0.908 481 L HN -0.098 nan 8.230 nan 0.000 0.437 482 S N -1.296 114.380 115.700 -0.041 0.000 2.370 482 S HA -0.214 4.253 4.470 -0.005 0.000 0.226 482 S C 2.095 176.676 174.600 -0.032 0.000 1.033 482 S CA 1.808 59.983 58.200 -0.042 0.000 1.011 482 S CB -0.391 62.767 63.200 -0.070 0.000 0.852 482 S HN 0.670 nan 8.310 nan 0.000 0.457 483 S N 1.091 116.766 115.700 -0.040 0.000 2.383 483 S HA 0.085 4.553 4.470 -0.005 0.000 0.227 483 S C 1.744 176.335 174.600 -0.016 0.000 1.026 483 S CA 1.268 59.445 58.200 -0.038 0.000 0.981 483 S CB -0.379 62.792 63.200 -0.048 0.000 0.818 483 S HN 0.546 nan 8.310 nan 0.000 0.472 484 I N 1.294 121.855 120.570 -0.016 0.000 2.315 484 I HA -0.134 4.033 4.170 -0.005 0.000 0.248 484 I C 1.914 178.040 176.117 0.016 0.000 1.117 484 I CA 1.015 62.311 61.300 -0.007 0.000 1.404 484 I CB -0.340 37.645 38.000 -0.024 0.000 1.071 484 I HN 0.232 nan 8.210 nan 0.000 0.419 485 L N 0.504 121.737 121.223 0.016 0.000 2.141 485 L HA -0.151 4.186 4.340 -0.005 0.000 0.209 485 L C 2.796 179.786 176.870 0.199 0.000 1.094 485 L CA 1.051 55.941 54.840 0.083 0.000 0.763 485 L CB -0.640 41.462 42.059 0.070 0.000 0.908 485 L HN 0.228 nan 8.230 nan 0.000 0.437 486 A N 0.033 122.930 122.820 0.128 0.000 1.929 486 A HA -0.171 4.146 4.320 -0.005 0.000 0.216 486 A C 2.154 179.846 177.584 0.180 0.000 1.176 486 A CA 1.283 53.408 52.037 0.146 0.000 0.628 486 A CB -0.272 18.745 19.000 0.027 0.000 0.816 486 A HN 0.435 nan 8.150 nan 0.000 0.444 487 E N -0.567 119.702 120.200 0.116 0.000 2.072 487 E HA -0.146 4.201 4.350 -0.005 0.000 0.191 487 E C 2.041 178.722 176.600 0.135 0.000 0.985 487 E CA 1.303 57.774 56.400 0.119 0.000 0.801 487 E CB -0.279 29.450 29.700 0.048 0.000 0.750 487 E HN 0.642 nan 8.360 nan 0.000 0.452 488 M N 0.732 120.413 119.600 0.136 0.000 2.086 488 M HA -0.196 4.281 4.480 -0.005 0.000 0.261 488 M C 2.080 178.515 176.300 0.225 0.000 1.067 488 M CA 1.634 57.022 55.300 0.147 0.000 1.116 488 M CB -0.178 32.547 32.600 0.208 0.000 1.348 488 M HN 0.052 nan 8.290 nan 0.000 0.407 489 E N -0.335 120.082 120.200 0.362 0.000 2.077 489 E HA -0.201 4.147 4.350 -0.005 0.000 0.193 489 E C 1.825 178.738 176.600 0.521 0.000 0.989 489 E CA 1.213 57.878 56.400 0.441 0.000 0.800 489 E CB -0.285 29.775 29.700 0.599 0.000 0.746 489 E HN 0.388 nan 8.360 nan 0.000 0.452 490 F N 1.679 121.810 119.950 0.301 0.000 2.134 490 F HA -0.116 4.409 4.527 -0.004 0.000 0.299 490 F C 2.216 178.042 175.800 0.043 0.000 1.097 490 F CA 1.239 59.312 58.000 0.123 0.000 1.264 490 F CB -0.406 38.552 39.000 -0.071 0.000 1.001 490 F HN -0.063 nan 8.300 nan 0.000 0.479 491 A N 0.241 123.010 122.820 -0.084 0.000 1.902 491 A HA 0.268 4.585 4.320 -0.005 0.000 0.217 491 A C 1.703 179.144 177.584 -0.237 0.000 1.181 491 A CA 1.364 53.249 52.037 -0.254 0.000 0.623 491 A CB -1.553 17.261 19.000 -0.309 0.000 0.818 491 A HN 1.016 nan 8.150 nan 0.000 0.443 492 G N -2.592 106.093 108.800 -0.193 0.000 2.855 492 G HA2 0.020 3.977 3.960 -0.005 0.000 0.352 492 G HA3 0.020 3.977 3.960 -0.005 0.000 0.352 492 G C -0.490 174.254 174.900 -0.261 0.000 1.415 492 G CA -0.330 44.510 45.100 -0.435 0.000 0.871 492 G HN 1.175 nan 8.290 nan 0.000 0.543 493 V N 0.637 120.409 119.914 -0.237 0.000 2.487 493 V HA 0.591 4.708 4.120 -0.005 0.000 0.298 493 V C 0.455 176.487 176.094 -0.104 0.000 1.028 493 V CA -0.659 61.594 62.300 -0.078 0.000 0.860 493 V CB 1.689 33.551 31.823 0.064 0.000 0.991 493 V HN 1.024 nan 8.190 nan 0.000 0.427 494 K N 3.547 123.902 120.400 -0.075 0.000 2.326 494 K HA 0.491 4.808 4.320 -0.005 0.000 0.275 494 K C -0.926 175.599 176.600 -0.126 0.000 1.018 494 K CA 0.129 56.357 56.287 -0.098 0.000 0.962 494 K CB 1.037 33.494 32.500 -0.072 0.000 0.953 494 K HN 0.458 nan 8.250 nan 0.000 0.475 495 V N 3.599 123.404 119.914 -0.182 0.000 2.656 495 V HA 0.187 4.304 4.120 -0.005 0.000 0.307 495 V C -0.786 175.202 176.094 -0.176 0.000 1.051 495 V CA -0.936 61.194 62.300 -0.283 0.000 0.893 495 V CB 1.798 33.399 31.823 -0.370 0.000 0.999 495 V HN 0.836 nan 8.190 nan 0.000 0.426 496 D N 2.940 123.244 120.400 -0.160 0.000 2.517 496 D HA 0.086 4.723 4.640 -0.005 0.000 0.220 496 D C 1.525 177.768 176.300 -0.096 0.000 1.158 496 D CA 0.276 54.221 54.000 -0.093 0.000 0.992 496 D CB 1.175 41.942 40.800 -0.056 0.000 1.058 496 D HN 0.775 nan 8.370 nan 0.000 0.516 497 T N 0.697 115.197 114.554 -0.089 0.000 2.803 497 T HA -0.191 4.157 4.350 -0.005 0.000 0.269 497 T C 1.658 176.327 174.700 -0.051 0.000 1.052 497 T CA 0.934 62.990 62.100 -0.073 0.000 1.136 497 T CB 0.032 68.864 68.868 -0.060 0.000 0.864 497 T HN 0.275 nan 8.240 nan 0.000 0.467 498 K N 0.615 120.989 120.400 -0.043 0.000 2.057 498 K HA -0.010 4.307 4.320 -0.005 0.000 0.206 498 K C 2.633 179.214 176.600 -0.031 0.000 1.050 498 K CA 1.263 57.531 56.287 -0.032 0.000 0.935 498 K CB -0.180 32.304 32.500 -0.027 0.000 0.715 498 K HN 0.209 nan 8.250 nan 0.000 0.439 499 R N 1.559 122.037 120.500 -0.036 0.000 2.073 499 R HA -0.104 4.233 4.340 -0.005 0.000 0.234 499 R C 1.994 178.275 176.300 -0.032 0.000 1.134 499 R CA 1.248 57.327 56.100 -0.034 0.000 0.952 499 R CB -0.856 29.422 30.300 -0.037 0.000 0.850 499 R HN 0.041 nan 8.270 nan 0.000 0.433 500 L N 1.215 122.416 121.223 -0.037 0.000 2.012 500 L HA -0.102 4.235 4.340 -0.005 0.000 0.210 500 L C 2.082 178.941 176.870 -0.018 0.000 1.073 500 L CA 2.003 56.827 54.840 -0.026 0.000 0.748 500 L CB -0.733 41.300 42.059 -0.042 0.000 0.891 500 L HN 0.342 nan 8.230 nan 0.000 0.431 501 E N -1.566 118.621 120.200 -0.023 0.000 2.110 501 E HA -0.287 4.060 4.350 -0.005 0.000 0.193 501 E C 2.132 178.723 176.600 -0.016 0.000 0.988 501 E CA 1.082 57.471 56.400 -0.018 0.000 0.804 501 E CB -0.032 29.656 29.700 -0.020 0.000 0.745 501 E HN 0.364 nan 8.360 nan 0.000 0.458 502 Q N 0.425 120.214 119.800 -0.018 0.000 2.079 502 Q HA -0.091 4.246 4.340 -0.005 0.000 0.200 502 Q C 1.912 177.903 176.000 -0.016 0.000 0.974 502 Q CA 1.545 57.337 55.803 -0.017 0.000 0.840 502 Q CB -0.049 28.677 28.738 -0.020 0.000 0.898 502 Q HN 0.282 nan 8.270 nan 0.000 0.430 503 M N -1.165 118.425 119.600 -0.017 0.000 2.159 503 M HA -0.088 4.389 4.480 -0.005 0.000 0.263 503 M C 2.014 178.307 176.300 -0.011 0.000 1.063 503 M CA 1.533 56.825 55.300 -0.014 0.000 1.110 503 M CB -0.582 32.012 32.600 -0.011 0.000 1.374 503 M HN 0.397 nan 8.290 nan 0.000 0.411 504 G N 0.626 109.421 108.800 -0.008 0.000 2.442 504 G HA2 -0.199 3.758 3.960 -0.005 0.000 0.219 504 G HA3 -0.199 3.758 3.960 -0.005 0.000 0.219 504 G C 1.670 176.562 174.900 -0.012 0.000 1.141 504 G CA 0.728 45.822 45.100 -0.009 0.000 0.763 504 G HN 0.380 nan 8.290 nan 0.000 0.554 505 K N 0.382 120.775 120.400 -0.011 0.000 2.025 505 K HA -0.057 4.261 4.320 -0.005 0.000 0.207 505 K C 2.442 179.037 176.600 -0.009 0.000 1.049 505 K CA 1.302 57.584 56.287 -0.009 0.000 0.933 505 K CB -0.188 32.306 32.500 -0.008 0.000 0.714 505 K HN 0.411 nan 8.250 nan 0.000 0.438 506 E N 1.031 121.224 120.200 -0.010 0.000 2.077 506 E HA -0.143 4.204 4.350 -0.005 0.000 0.193 506 E C 2.173 178.765 176.600 -0.013 0.000 0.989 506 E CA 0.841 57.236 56.400 -0.009 0.000 0.800 506 E CB -0.100 29.594 29.700 -0.009 0.000 0.746 506 E HN 0.182 nan 8.360 nan 0.000 0.452 507 L N 0.613 121.824 121.223 -0.021 0.000 2.046 507 L HA -0.186 4.151 4.340 -0.005 0.000 0.208 507 L C 2.599 179.444 176.870 -0.041 0.000 1.077 507 L CA 1.000 55.818 54.840 -0.038 0.000 0.747 507 L CB -0.463 41.572 42.059 -0.041 0.000 0.896 507 L HN 0.163 nan 8.230 nan 0.000 0.432 508 A N -0.322 122.481 122.820 -0.027 0.000 1.940 508 A HA -0.284 4.034 4.320 -0.005 0.000 0.219 508 A C 2.245 179.824 177.584 -0.009 0.000 1.176 508 A CA 2.075 54.100 52.037 -0.019 0.000 0.631 508 A CB -0.500 18.494 19.000 -0.011 0.000 0.814 508 A HN 0.511 nan 8.150 nan 0.000 0.446 509 E N -0.468 119.729 120.200 -0.005 0.000 2.046 509 E HA -0.210 4.138 4.350 -0.005 0.000 0.190 509 E C 2.179 178.783 176.600 0.006 0.000 0.982 509 E CA 1.123 57.525 56.400 0.003 0.000 0.800 509 E CB -0.170 29.533 29.700 0.005 0.000 0.756 509 E HN 0.756 nan 8.360 nan 0.000 0.449 510 Q N 0.262 120.061 119.800 -0.002 0.000 2.084 510 Q HA -0.153 4.185 4.340 -0.005 0.000 0.202 510 Q C 2.428 178.420 176.000 -0.013 0.000 0.978 510 Q CA 1.243 57.047 55.803 0.002 0.000 0.844 510 Q CB -0.076 28.656 28.738 -0.010 0.000 0.898 510 Q HN 0.360 nan 8.270 nan 0.000 0.426 511 L N -0.040 121.163 121.223 -0.033 0.000 2.131 511 L HA -0.142 4.195 4.340 -0.005 0.000 0.210 511 L C 2.339 179.246 176.870 0.062 0.000 1.092 511 L CA 1.054 55.891 54.840 -0.005 0.000 0.759 511 L CB -0.663 41.365 42.059 -0.053 0.000 0.903 511 L HN 0.348 nan 8.230 nan 0.000 0.435 512 G N -0.998 107.822 108.800 0.033 0.000 2.404 512 G HA2 -0.231 3.727 3.960 -0.005 0.000 0.215 512 G HA3 -0.231 3.727 3.960 -0.005 0.000 0.215 512 G C 1.543 176.455 174.900 0.019 0.000 1.174 512 G CA 1.196 46.316 45.100 0.033 0.000 0.780 512 G HN 0.260 nan 8.290 nan 0.000 0.537 513 T N 1.054 115.621 114.554 0.022 0.000 2.622 513 T HA -0.149 4.198 4.350 -0.005 0.000 0.266 513 T C 2.569 177.273 174.700 0.007 0.000 1.047 513 T CA 1.565 63.677 62.100 0.021 0.000 1.159 513 T CB -0.487 68.402 68.868 0.035 0.000 0.863 513 T HN 0.040 nan 8.240 nan 0.000 0.422 514 V N 1.625 121.555 119.914 0.028 0.000 2.332 514 V HA -0.219 3.898 4.120 -0.005 0.000 0.248 514 V C 2.525 178.547 176.094 -0.119 0.000 1.055 514 V CA 2.122 64.438 62.300 0.026 0.000 1.038 514 V CB -0.702 31.181 31.823 0.102 0.000 0.651 514 V HN 0.586 nan 8.190 nan 0.000 0.450 515 E N -0.423 119.679 120.200 -0.163 0.000 2.085 515 E HA -0.274 4.073 4.350 -0.005 0.000 0.194 515 E C 2.303 178.518 176.600 -0.641 0.000 0.994 515 E CA 1.338 57.431 56.400 -0.513 0.000 0.801 515 E CB -0.032 29.485 29.700 -0.304 0.000 0.743 515 E HN 0.545 nan 8.360 nan 0.000 0.453 516 Q N 0.287 119.948 119.800 -0.232 0.000 2.083 516 Q HA -0.142 4.196 4.340 -0.005 0.000 0.198 516 Q C 2.224 178.189 176.000 -0.057 0.000 0.969 516 Q CA 1.217 56.989 55.803 -0.053 0.000 0.838 516 Q CB -0.407 28.354 28.738 0.040 0.000 0.900 516 Q HN 0.113 nan 8.270 nan 0.000 0.436 517 R N 1.160 121.618 120.500 -0.069 0.000 2.091 517 R HA -0.072 4.265 4.340 -0.005 0.000 0.238 517 R C 2.113 178.388 176.300 -0.043 0.000 1.136 517 R CA 1.295 57.380 56.100 -0.026 0.000 0.959 517 R CB -0.755 29.541 30.300 -0.007 0.000 0.856 517 R HN 0.276 nan 8.270 nan 0.000 0.437 518 I N -0.346 120.123 120.570 -0.168 0.000 2.179 518 I HA -0.307 3.860 4.170 -0.005 0.000 0.242 518 I C 1.699 177.802 176.117 -0.025 0.000 1.088 518 I CA 1.388 62.586 61.300 -0.170 0.000 1.357 518 I CB -0.401 37.346 38.000 -0.422 0.000 1.051 518 I HN 0.164 nan 8.210 nan 0.000 0.409 519 Y N 0.566 120.865 120.300 -0.002 0.000 2.293 519 Y HA -0.185 4.362 4.550 -0.005 0.000 0.291 519 Y C 2.603 178.540 175.900 0.063 0.000 1.137 519 Y CA 0.706 58.839 58.100 0.056 0.000 1.202 519 Y CB -0.750 37.709 38.460 -0.002 0.000 0.990 519 Y HN 0.155 nan 8.280 nan 0.000 0.537 520 E N 0.494 120.803 120.200 0.182 0.000 2.051 520 E HA -0.146 4.201 4.350 -0.005 0.000 0.192 520 E C 2.135 178.804 176.600 0.114 0.000 0.991 520 E CA 0.956 57.429 56.400 0.122 0.000 0.799 520 E CB -0.356 29.392 29.700 0.081 0.000 0.748 520 E HN 0.444 nan 8.360 nan 0.000 0.449 521 L N -0.246 121.049 121.223 0.120 0.000 2.376 521 L HA -0.052 4.286 4.340 -0.005 0.000 0.219 521 L C 2.211 179.172 176.870 0.151 0.000 1.133 521 L CA 0.789 55.724 54.840 0.159 0.000 0.816 521 L CB -0.174 41.996 42.059 0.185 0.000 0.933 521 L HN 0.035 nan 8.230 nan 0.000 0.449 522 A N -0.826 122.072 122.820 0.130 0.000 2.169 522 A HA 0.337 4.654 4.320 -0.005 0.000 0.210 522 A C 1.788 179.404 177.584 0.053 0.000 1.168 522 A CA 0.692 52.768 52.037 0.065 0.000 0.813 522 A CB -0.055 19.044 19.000 0.165 0.000 0.861 522 A HN 0.423 nan 8.150 nan 0.000 0.481 523 G N -0.749 108.107 108.800 0.094 0.000 2.148 523 G HA2 -0.227 3.730 3.960 -0.005 0.000 0.254 523 G HA3 -0.227 3.730 3.960 -0.005 0.000 0.254 523 G C -0.055 174.881 174.900 0.059 0.000 0.981 523 G CA 0.879 46.017 45.100 0.063 0.000 0.670 523 G HN 1.625 nan 8.290 nan 0.000 0.528 524 Q N -1.765 118.102 119.800 0.110 0.000 2.848 524 Q HA 0.553 4.891 4.340 -0.005 0.000 0.288 524 Q C -1.269 174.822 176.000 0.150 0.000 0.907 524 Q CA -0.844 55.007 55.803 0.080 0.000 0.792 524 Q CB 0.677 29.439 28.738 0.039 0.000 1.534 524 Q HN 0.285 nan 8.270 nan 0.000 0.419 525 E N 1.162 121.300 120.200 -0.103 0.000 2.266 525 E HA 0.640 4.987 4.350 -0.005 0.000 0.277 525 E C -1.328 175.255 176.600 -0.029 0.000 1.018 525 E CA -0.552 55.512 56.400 -0.561 0.000 0.840 525 E CB 0.766 29.951 29.700 -0.858 0.000 1.082 525 E HN 0.452 nan 8.360 nan 0.000 0.395 526 F N 1.193 121.072 119.950 -0.118 0.000 2.741 526 F HA 0.331 4.856 4.527 -0.005 0.000 0.311 526 F C -1.095 174.781 175.800 0.127 0.000 1.149 526 F CA -1.408 56.606 58.000 0.022 0.000 0.930 526 F CB 0.625 39.650 39.000 0.040 0.000 1.312 526 F HN 0.216 nan 8.300 nan 0.000 0.450 527 N N 2.341 121.103 118.700 0.102 0.000 2.402 527 N HA 0.197 4.934 4.740 -0.005 0.000 0.259 527 N C 0.945 176.430 175.510 -0.041 0.000 1.167 527 N CA 0.116 53.169 53.050 0.005 0.000 0.949 527 N CB 0.413 38.949 38.487 0.082 0.000 1.212 527 N HN 0.807 nan 8.380 nan 0.000 0.493 528 I N 2.134 122.497 120.570 -0.345 0.000 2.361 528 I HA -0.243 3.925 4.170 -0.005 0.000 0.251 528 I C 1.238 177.394 176.117 0.064 0.000 1.133 528 I CA 0.749 61.872 61.300 -0.296 0.000 1.413 528 I CB -0.136 37.465 38.000 -0.665 0.000 1.073 528 I HN 0.413 nan 8.210 nan 0.000 0.424 529 N N 0.806 119.573 118.700 0.113 0.000 2.501 529 N HA -0.022 4.715 4.740 -0.005 0.000 0.195 529 N C 0.349 175.932 175.510 0.122 0.000 1.213 529 N CA 0.319 53.457 53.050 0.146 0.000 0.864 529 N CB 0.161 38.728 38.487 0.134 0.000 0.999 529 N HN 0.090 nan 8.380 nan 0.000 0.454 530 S N 0.889 116.673 115.700 0.140 0.000 2.532 530 S HA 0.370 4.838 4.470 -0.005 0.000 0.318 530 S C -1.809 172.888 174.600 0.161 0.000 1.083 530 S CA -1.698 56.585 58.200 0.138 0.000 1.131 530 S CB 1.265 64.549 63.200 0.139 0.000 0.973 530 S HN -0.120 nan 8.310 nan 0.000 0.468 531 P HA -0.154 nan 4.420 nan 0.000 0.218 531 P C 1.247 178.653 177.300 0.176 0.000 1.146 531 P CA 0.950 64.147 63.100 0.161 0.000 0.820 531 P CB 0.222 32.002 31.700 0.134 0.000 0.778 532 K N -0.139 120.347 120.400 0.142 0.000 1.991 532 K HA -0.159 4.158 4.320 -0.005 0.000 0.207 532 K C 2.125 178.812 176.600 0.146 0.000 1.045 532 K CA 1.387 57.753 56.287 0.131 0.000 0.937 532 K CB -0.277 32.276 32.500 0.089 0.000 0.720 532 K HN 0.081 nan 8.250 nan 0.000 0.438 533 Q N 0.459 120.347 119.800 0.148 0.000 2.046 533 Q HA -0.164 4.173 4.340 -0.005 0.000 0.200 533 Q C 2.182 178.235 176.000 0.089 0.000 0.975 533 Q CA 1.297 57.187 55.803 0.144 0.000 0.836 533 Q CB -0.156 28.724 28.738 0.237 0.000 0.896 533 Q HN 0.249 nan 8.270 nan 0.000 0.428 534 L N 0.707 122.046 121.223 0.194 0.000 2.127 534 L HA -0.081 4.257 4.340 -0.005 0.000 0.211 534 L C 2.012 178.852 176.870 -0.049 0.000 1.089 534 L CA 2.192 57.108 54.840 0.126 0.000 0.757 534 L CB -0.928 41.276 42.059 0.242 0.000 0.899 534 L HN 0.176 nan 8.230 nan 0.000 0.434 535 G N -1.153 107.717 108.800 0.117 0.000 2.418 535 G HA2 -0.190 3.767 3.960 -0.005 0.000 0.217 535 G HA3 -0.190 3.767 3.960 -0.005 0.000 0.217 535 G C 1.507 176.479 174.900 0.121 0.000 1.158 535 G CA 1.022 46.288 45.100 0.277 0.000 0.771 535 G HN 0.337 nan 8.290 nan 0.000 0.545 536 V N 1.493 121.464 119.914 0.095 0.000 2.343 536 V HA -0.133 3.984 4.120 -0.005 0.000 0.247 536 V C 2.791 178.776 176.094 -0.181 0.000 1.051 536 V CA 1.046 63.358 62.300 0.020 0.000 1.036 536 V CB -0.324 31.505 31.823 0.011 0.000 0.654 536 V HN 0.265 nan 8.190 nan 0.000 0.451 537 I N -0.333 120.032 120.570 -0.343 0.000 2.142 537 I HA -0.195 3.972 4.170 -0.005 0.000 0.240 537 I C 2.353 178.187 176.117 -0.472 0.000 1.078 537 I CA 1.817 62.821 61.300 -0.495 0.000 1.343 537 I CB -1.033 36.423 38.000 -0.907 0.000 1.046 537 I HN 0.266 nan 8.210 nan 0.000 0.405 538 L N -0.503 120.369 121.223 -0.585 0.000 1.988 538 L HA -0.177 4.160 4.340 -0.005 0.000 0.207 538 L C 2.439 178.829 176.870 -0.800 0.000 1.071 538 L CA 1.484 55.847 54.840 -0.795 0.000 0.744 538 L CB -0.695 40.647 42.059 -1.196 0.000 0.893 538 L HN 0.092 nan 8.230 nan 0.000 0.433 539 F N -0.620 119.107 119.950 -0.371 0.000 2.743 539 F HA 0.041 4.565 4.527 -0.005 0.000 0.297 539 F C 2.200 177.791 175.800 -0.349 0.000 1.131 539 F CA 0.318 58.031 58.000 -0.478 0.000 1.426 539 F CB -0.246 38.162 39.000 -0.986 0.000 1.116 539 F HN 0.073 nan 8.300 nan 0.000 0.583 540 E N -0.103 120.008 120.200 -0.148 0.000 2.279 540 E HA 0.001 4.348 4.350 -0.005 0.000 0.199 540 E C 1.897 178.440 176.600 -0.095 0.000 0.893 540 E CA 0.048 56.405 56.400 -0.070 0.000 0.978 540 E CB 0.119 29.817 29.700 -0.003 0.000 0.964 540 E HN 0.135 nan 8.360 nan 0.000 0.486 541 K N 1.059 121.373 120.400 -0.144 0.000 2.031 541 K HA 0.009 4.326 4.320 -0.005 0.000 0.205 541 K C 1.844 178.359 176.600 -0.142 0.000 1.049 541 K CA 0.856 57.060 56.287 -0.137 0.000 0.939 541 K CB 0.162 32.558 32.500 -0.174 0.000 0.717 541 K HN 0.038 nan 8.250 nan 0.000 0.438 542 L N 0.591 121.688 121.223 -0.210 0.000 2.558 542 L HA 0.055 4.392 4.340 -0.005 0.000 0.225 542 L C 0.241 177.028 176.870 -0.138 0.000 1.128 542 L CA 0.082 54.800 54.840 -0.202 0.000 0.868 542 L CB 0.174 42.011 42.059 -0.370 0.000 1.006 542 L HN 0.312 nan 8.230 nan 0.000 0.454 543 Q N -0.314 119.406 119.800 -0.132 0.000 2.452 543 Q HA -0.196 4.141 4.340 -0.005 0.000 0.248 543 Q C 0.143 176.080 176.000 -0.104 0.000 0.874 543 Q CA 0.846 56.594 55.803 -0.091 0.000 1.208 543 Q CB -2.136 26.567 28.738 -0.057 0.000 1.569 543 Q HN 0.471 nan 8.270 nan 0.000 0.579 544 L N 1.152 122.292 121.223 -0.138 0.000 2.499 544 L HA 0.066 4.404 4.340 -0.005 0.000 0.281 544 L C -1.499 175.347 176.870 -0.040 0.000 1.234 544 L CA -1.206 53.545 54.840 -0.148 0.000 0.839 544 L CB -0.370 41.591 42.059 -0.164 0.000 1.104 544 L HN -0.149 nan 8.230 nan 0.000 0.500 545 P HA 0.044 nan 4.420 nan 0.000 0.271 545 P C -0.736 176.528 177.300 -0.060 0.000 1.216 545 P CA -0.240 62.776 63.100 -0.140 0.000 0.776 545 P CB 0.680 32.232 31.700 -0.247 0.000 0.881 546 V N 5.244 125.056 119.914 -0.171 0.000 2.322 546 V HA 0.078 4.195 4.120 -0.005 0.000 0.258 546 V C 1.428 177.410 176.094 -0.187 0.000 1.074 546 V CA 0.255 62.337 62.300 -0.364 0.000 0.909 546 V CB -0.190 31.433 31.823 -0.333 0.000 1.090 546 V HN 0.528 nan 8.190 nan 0.000 0.486 547 L N 3.091 124.231 121.223 -0.139 0.000 2.446 547 L HA 0.289 4.626 4.340 -0.005 0.000 0.219 547 L C 0.991 177.831 176.870 -0.049 0.000 1.116 547 L CA 0.785 55.596 54.840 -0.049 0.000 0.844 547 L CB -0.034 42.033 42.059 0.014 0.000 0.970 547 L HN 0.525 nan 8.230 nan 0.000 0.457 548 K N 0.401 120.747 120.400 -0.090 0.000 2.557 548 K HA 0.388 4.705 4.320 -0.005 0.000 0.261 548 K C -1.492 175.064 176.600 -0.073 0.000 0.932 548 K CA -0.648 55.605 56.287 -0.055 0.000 0.829 548 K CB 2.285 34.778 32.500 -0.012 0.000 1.358 548 K HN -0.200 nan 8.250 nan 0.000 0.430 549 K N 0.991 121.364 120.400 -0.046 0.000 2.295 549 K HA 0.435 4.753 4.320 -0.005 0.000 0.239 549 K C -0.736 175.848 176.600 -0.028 0.000 0.991 549 K CA -0.866 55.395 56.287 -0.043 0.000 0.845 549 K CB 2.057 34.523 32.500 -0.058 0.000 1.197 549 K HN 0.782 nan 8.250 nan 0.000 0.441 550 T N -2.313 112.223 114.554 -0.031 0.000 2.912 550 T HA 0.211 4.558 4.350 -0.005 0.000 0.288 550 T C 0.931 175.608 174.700 -0.039 0.000 1.030 550 T CA -0.953 61.136 62.100 -0.018 0.000 1.020 550 T CB 1.487 70.358 68.868 0.006 0.000 1.056 550 T HN 0.686 nan 8.240 nan 0.000 0.480 551 K N 0.286 120.669 120.400 -0.028 0.000 2.228 551 K HA -0.179 4.138 4.320 -0.005 0.000 0.205 551 K C 1.817 178.391 176.600 -0.043 0.000 1.045 551 K CA 1.949 58.216 56.287 -0.033 0.000 0.931 551 K CB -0.642 31.846 32.500 -0.020 0.000 0.727 551 K HN 0.560 nan 8.250 nan 0.000 0.458 552 T N -1.177 113.353 114.554 -0.040 0.000 3.051 552 T HA 0.266 4.613 4.350 -0.005 0.000 0.255 552 T C 0.643 175.288 174.700 -0.092 0.000 1.085 552 T CA 0.598 62.670 62.100 -0.047 0.000 1.109 552 T CB 0.258 69.115 68.868 -0.019 0.000 0.921 552 T HN 0.634 nan 8.240 nan 0.000 0.488 553 G N -0.516 108.214 108.800 -0.117 0.000 2.586 553 G HA2 0.340 4.297 3.960 -0.005 0.000 0.105 553 G HA3 0.340 4.297 3.960 -0.005 0.000 0.105 553 G C -1.763 172.999 174.900 -0.229 0.000 1.129 553 G CA -0.754 44.194 45.100 -0.253 0.000 1.127 553 G HN 0.159 nan 8.290 nan 0.000 0.532 554 Y N 1.148 121.443 120.300 -0.008 0.000 2.308 554 Y HA 0.681 5.228 4.550 -0.005 0.000 0.329 554 Y C 1.011 176.916 175.900 0.008 0.000 1.111 554 Y CA -0.411 57.636 58.100 -0.089 0.000 1.179 554 Y CB 1.776 40.196 38.460 -0.067 0.000 1.201 554 Y HN 0.380 nan 8.280 nan 0.000 0.483 555 S N 1.050 116.814 115.700 0.108 0.000 2.545 555 S HA 0.311 4.779 4.470 -0.005 0.000 0.275 555 S C 0.554 175.299 174.600 0.243 0.000 1.299 555 S CA -0.031 58.246 58.200 0.128 0.000 1.048 555 S CB 0.104 63.341 63.200 0.062 0.000 0.938 555 S HN 0.844 nan 8.310 nan 0.000 0.496 556 T N 0.374 115.067 114.554 0.232 0.000 3.393 556 T HA 0.296 4.643 4.350 -0.005 0.000 0.298 556 T C 0.339 175.139 174.700 0.167 0.000 1.004 556 T CA -0.151 62.098 62.100 0.248 0.000 0.956 556 T CB -0.655 68.355 68.868 0.238 0.000 1.182 556 T HN 0.634 nan 8.240 nan 0.000 0.497 557 S N 0.731 116.514 115.700 0.138 0.000 2.580 557 S HA 0.595 5.062 4.470 -0.005 0.000 0.266 557 S C 1.932 176.596 174.600 0.106 0.000 1.354 557 S CA -0.225 58.040 58.200 0.108 0.000 1.008 557 S CB 0.784 64.038 63.200 0.089 0.000 0.898 557 S HN 0.562 nan 8.310 nan 0.000 0.555 558 A N 1.759 124.633 122.820 0.091 0.000 1.917 558 A HA -0.206 4.111 4.320 -0.005 0.000 0.219 558 A C 1.975 179.608 177.584 0.081 0.000 1.182 558 A CA 1.851 53.938 52.037 0.084 0.000 0.633 558 A CB -1.251 17.792 19.000 0.071 0.000 0.819 558 A HN 1.005 nan 8.150 nan 0.000 0.448 559 D N 0.013 120.459 120.400 0.076 0.000 2.149 559 D HA -0.130 4.508 4.640 -0.005 0.000 0.198 559 D C 1.872 178.223 176.300 0.085 0.000 0.990 559 D CA 1.682 55.725 54.000 0.072 0.000 0.839 559 D CB -0.843 39.997 40.800 0.066 0.000 0.948 559 D HN 0.295 nan 8.370 nan 0.000 0.460 560 V N 1.347 121.321 119.914 0.099 0.000 2.323 560 V HA -0.178 3.939 4.120 -0.005 0.000 0.244 560 V C 2.872 179.050 176.094 0.140 0.000 1.041 560 V CA 0.946 63.318 62.300 0.120 0.000 1.025 560 V CB -0.563 31.343 31.823 0.139 0.000 0.656 560 V HN 0.166 nan 8.190 nan 0.000 0.451 561 L N -0.302 121.003 121.223 0.137 0.000 2.127 561 L HA -0.175 4.163 4.340 -0.005 0.000 0.211 561 L C 2.757 179.695 176.870 0.112 0.000 1.089 561 L CA 1.297 56.213 54.840 0.127 0.000 0.757 561 L CB -0.736 41.388 42.059 0.109 0.000 0.899 561 L HN 0.355 nan 8.230 nan 0.000 0.434 562 E N 0.891 121.148 120.200 0.095 0.000 2.070 562 E HA -0.230 4.117 4.350 -0.005 0.000 0.197 562 E C 2.113 178.764 176.600 0.084 0.000 1.004 562 E CA 1.420 57.866 56.400 0.077 0.000 0.805 562 E CB -0.192 29.545 29.700 0.062 0.000 0.744 562 E HN 0.523 nan 8.360 nan 0.000 0.451 563 K N 0.302 120.764 120.400 0.103 0.000 2.283 563 K HA -0.016 4.301 4.320 -0.005 0.000 0.202 563 K C 2.180 178.895 176.600 0.193 0.000 1.048 563 K CA 0.595 56.956 56.287 0.123 0.000 0.948 563 K CB -0.024 32.552 32.500 0.127 0.000 0.742 563 K HN 0.112 nan 8.250 nan 0.000 0.458 564 L N 0.056 121.409 121.223 0.217 0.000 2.446 564 L HA 0.090 4.427 4.340 -0.005 0.000 0.219 564 L C 2.406 179.438 176.870 0.269 0.000 1.116 564 L CA 0.029 55.070 54.840 0.336 0.000 0.844 564 L CB -0.409 41.793 42.059 0.239 0.000 0.970 564 L HN 0.098 nan 8.230 nan 0.000 0.457 565 A N 1.608 124.513 122.820 0.142 0.000 1.915 565 A HA -0.198 4.119 4.320 -0.005 0.000 0.220 565 A C -0.002 177.609 177.584 0.045 0.000 1.198 565 A CA 2.103 54.193 52.037 0.088 0.000 0.647 565 A CB -1.887 17.143 19.000 0.050 0.000 0.825 565 A HN 0.288 nan 8.150 nan 0.000 0.456 566 P HA -0.148 nan 4.420 nan 0.000 0.219 566 P C 0.751 177.946 177.300 -0.175 0.000 1.146 566 P CA 1.135 64.136 63.100 -0.166 0.000 0.808 566 P CB -0.176 31.341 31.700 -0.305 0.000 0.779 567 Y N -2.707 117.619 120.300 0.044 0.000 2.263 567 Y HA -0.008 4.540 4.550 -0.005 0.000 0.292 567 Y C 1.559 177.518 175.900 0.097 0.000 1.130 567 Y CA 1.144 59.280 58.100 0.060 0.000 1.179 567 Y CB -0.193 38.309 38.460 0.069 0.000 0.998 567 Y HN 0.061 nan 8.280 nan 0.000 0.532 568 H N -0.985 118.163 119.070 0.131 0.000 3.038 568 H HA 0.119 4.672 4.556 -0.005 0.000 0.362 568 H C 0.137 175.486 175.328 0.036 0.000 1.167 568 H CA -0.476 55.611 56.048 0.064 0.000 1.197 568 H CB 1.723 31.511 29.762 0.044 0.000 1.840 568 H HN 0.184 nan 8.280 nan 0.000 0.540 569 E N 3.733 123.908 120.200 -0.041 0.000 2.333 569 E HA -0.088 4.259 4.350 -0.005 0.000 0.198 569 E C 1.692 178.395 176.600 0.173 0.000 1.007 569 E CA 0.636 57.060 56.400 0.041 0.000 0.845 569 E CB 0.255 29.922 29.700 -0.055 0.000 0.766 569 E HN 0.617 nan 8.360 nan 0.000 0.507 570 I N -0.075 120.743 120.570 0.414 0.000 2.394 570 I HA -0.238 3.930 4.170 -0.005 0.000 0.251 570 I C 1.831 178.016 176.117 0.113 0.000 1.136 570 I CA 0.586 62.014 61.300 0.212 0.000 1.425 570 I CB 0.131 38.179 38.000 0.080 0.000 1.079 570 I HN 0.042 nan 8.210 nan 0.000 0.425 571 V N 2.277 122.262 119.914 0.119 0.000 2.255 571 V HA -0.332 3.785 4.120 -0.005 0.000 0.247 571 V C 2.465 178.611 176.094 0.088 0.000 1.051 571 V CA 2.478 64.829 62.300 0.084 0.000 1.018 571 V CB -1.138 30.743 31.823 0.098 0.000 0.641 571 V HN 0.635 nan 8.190 nan 0.000 0.445 572 E N 0.392 120.642 120.200 0.083 0.000 2.110 572 E HA -0.256 4.092 4.350 -0.005 0.000 0.193 572 E C 1.882 178.543 176.600 0.103 0.000 0.988 572 E CA 1.669 58.113 56.400 0.072 0.000 0.804 572 E CB -0.500 29.222 29.700 0.038 0.000 0.745 572 E HN 0.620 nan 8.360 nan 0.000 0.458 573 N N 0.906 119.667 118.700 0.101 0.000 2.188 573 N HA -0.074 4.663 4.740 -0.005 0.000 0.184 573 N C 2.028 177.623 175.510 0.142 0.000 1.018 573 N CA 1.199 54.324 53.050 0.124 0.000 0.858 573 N CB -0.083 38.447 38.487 0.071 0.000 0.989 573 N HN 0.308 nan 8.380 nan 0.000 0.426 574 I N 1.185 121.819 120.570 0.107 0.000 2.252 574 I HA -0.215 3.953 4.170 -0.005 0.000 0.245 574 I C 2.188 178.409 176.117 0.173 0.000 1.102 574 I CA 0.729 62.102 61.300 0.123 0.000 1.385 574 I CB -0.178 37.877 38.000 0.091 0.000 1.064 574 I HN 0.038 nan 8.210 nan 0.000 0.414 575 L N -0.127 121.184 121.223 0.147 0.000 2.046 575 L HA -0.280 4.057 4.340 -0.005 0.000 0.208 575 L C 2.765 179.738 176.870 0.171 0.000 1.077 575 L CA 1.494 56.417 54.840 0.139 0.000 0.747 575 L CB -0.814 41.313 42.059 0.113 0.000 0.896 575 L HN 0.322 nan 8.230 nan 0.000 0.432 576 H N -1.037 118.078 119.070 0.074 0.000 2.353 576 H HA -0.256 4.297 4.556 -0.005 0.000 0.300 576 H C 2.040 177.411 175.328 0.071 0.000 1.090 576 H CA 1.790 57.873 56.048 0.058 0.000 1.327 576 H CB -0.281 29.512 29.762 0.052 0.000 1.383 576 H HN 0.330 nan 8.280 nan 0.000 0.508 577 Y N 1.075 121.337 120.300 -0.063 0.000 2.224 577 Y HA -0.146 4.402 4.550 -0.005 0.000 0.289 577 Y C 2.400 178.243 175.900 -0.095 0.000 1.146 577 Y CA 1.567 59.583 58.100 -0.140 0.000 1.182 577 Y CB -0.038 38.358 38.460 -0.107 0.000 0.983 577 Y HN 0.061 nan 8.280 nan 0.000 0.524 578 R N 0.155 120.657 120.500 0.005 0.000 2.092 578 R HA -0.200 4.138 4.340 -0.005 0.000 0.231 578 R C 2.301 178.550 176.300 -0.084 0.000 1.119 578 R CA 1.659 57.735 56.100 -0.041 0.000 0.970 578 R CB -0.570 29.769 30.300 0.065 0.000 0.864 578 R HN 0.550 nan 8.270 nan 0.000 0.440 579 Q N 0.845 120.615 119.800 -0.050 0.000 2.020 579 Q HA -0.120 4.217 4.340 -0.005 0.000 0.202 579 Q C 2.235 178.178 176.000 -0.095 0.000 0.982 579 Q CA 1.310 57.094 55.803 -0.032 0.000 0.838 579 Q CB -0.071 28.687 28.738 0.033 0.000 0.899 579 Q HN 0.269 nan 8.270 nan 0.000 0.423 580 L N -0.090 121.011 121.223 -0.204 0.000 2.012 580 L HA -0.129 4.208 4.340 -0.005 0.000 0.210 580 L C 2.534 179.272 176.870 -0.220 0.000 1.073 580 L CA 1.199 55.903 54.840 -0.226 0.000 0.748 580 L CB -0.926 40.933 42.059 -0.334 0.000 0.891 580 L HN 0.456 nan 8.230 nan 0.000 0.431 581 G N -0.415 108.176 108.800 -0.349 0.000 2.422 581 G HA2 -0.247 3.710 3.960 -0.005 0.000 0.218 581 G HA3 -0.247 3.710 3.960 -0.005 0.000 0.218 581 G C 1.759 176.568 174.900 -0.152 0.000 1.146 581 G CA 0.396 45.303 45.100 -0.323 0.000 0.769 581 G HN 0.086 nan 8.290 nan 0.000 0.547 582 K N -0.148 120.197 120.400 -0.091 0.000 2.002 582 K HA -0.002 4.315 4.320 -0.005 0.000 0.209 582 K C 2.576 179.228 176.600 0.087 0.000 1.048 582 K CA 0.799 57.087 56.287 0.002 0.000 0.930 582 K CB -0.601 31.933 32.500 0.058 0.000 0.714 582 K HN 0.239 nan 8.250 nan 0.000 0.438 583 L N 1.428 122.716 121.223 0.108 0.000 1.989 583 L HA -0.208 4.129 4.340 -0.005 0.000 0.211 583 L C 2.702 179.643 176.870 0.118 0.000 1.071 583 L CA 1.721 56.672 54.840 0.185 0.000 0.749 583 L CB -0.998 41.100 42.059 0.066 0.000 0.890 583 L HN 0.257 nan 8.230 nan 0.000 0.431 584 Q N -0.789 119.018 119.800 0.012 0.000 1.975 584 Q HA -0.169 4.169 4.340 -0.005 0.000 0.205 584 Q C 2.351 178.340 176.000 -0.019 0.000 0.990 584 Q CA 2.559 58.353 55.803 -0.014 0.000 0.845 584 Q CB -0.385 28.315 28.738 -0.063 0.000 0.913 584 Q HN 0.438 nan 8.270 nan 0.000 0.420 585 S N -0.704 114.965 115.700 -0.051 0.000 2.355 585 S HA -0.108 4.360 4.470 -0.005 0.000 0.222 585 S C 2.002 176.544 174.600 -0.097 0.000 1.031 585 S CA 1.564 59.726 58.200 -0.064 0.000 0.993 585 S CB -0.575 62.583 63.200 -0.071 0.000 0.859 585 S HN 0.516 nan 8.310 nan 0.000 0.453 586 T N 0.598 115.054 114.554 -0.163 0.000 2.851 586 T HA 0.056 4.404 4.350 -0.005 0.000 0.262 586 T C 1.384 175.809 174.700 -0.458 0.000 1.043 586 T CA 1.098 62.978 62.100 -0.368 0.000 1.140 586 T CB -0.233 68.276 68.868 -0.598 0.000 0.872 586 T HN 0.400 nan 8.240 nan 0.000 0.446 587 Y N 0.245 120.556 120.300 0.019 0.000 2.314 587 Y HA 0.264 4.811 4.550 -0.005 0.000 0.294 587 Y C 2.308 178.234 175.900 0.043 0.000 1.139 587 Y CA -0.226 57.901 58.100 0.046 0.000 1.162 587 Y CB -0.375 38.114 38.460 0.049 0.000 1.121 587 Y HN 0.019 nan 8.280 nan 0.000 0.529 588 I N 0.853 121.523 120.570 0.166 0.000 2.072 588 I HA -0.242 3.925 4.170 -0.005 0.000 0.235 588 I C 2.056 178.199 176.117 0.044 0.000 1.058 588 I CA 1.715 63.067 61.300 0.088 0.000 1.320 588 I CB -1.350 36.680 38.000 0.050 0.000 1.047 588 I HN 0.341 nan 8.210 nan 0.000 0.397 589 E N 0.705 120.915 120.200 0.017 0.000 2.110 589 E HA -0.163 4.184 4.350 -0.005 0.000 0.193 589 E C 2.265 178.862 176.600 -0.006 0.000 0.988 589 E CA 1.203 57.602 56.400 -0.003 0.000 0.804 589 E CB -0.420 29.270 29.700 -0.016 0.000 0.745 589 E HN 0.610 nan 8.360 nan 0.000 0.458 590 G N 1.526 110.317 108.800 -0.014 0.000 2.446 590 G HA2 -0.245 3.713 3.960 -0.005 0.000 0.217 590 G HA3 -0.245 3.713 3.960 -0.005 0.000 0.217 590 G C 1.602 176.512 174.900 0.016 0.000 1.168 590 G CA 0.570 45.656 45.100 -0.022 0.000 0.771 590 G HN 0.077 nan 8.290 nan 0.000 0.551 591 L N -0.184 121.073 121.223 0.057 0.000 2.044 591 L HA 0.084 4.421 4.340 -0.005 0.000 0.205 591 L C 2.878 179.755 176.870 0.013 0.000 1.075 591 L CA 0.408 55.287 54.840 0.066 0.000 0.747 591 L CB -0.382 41.745 42.059 0.113 0.000 0.903 591 L HN 0.159 nan 8.230 nan 0.000 0.435 592 L N -0.251 120.974 121.223 0.003 0.000 2.187 592 L HA -0.232 4.106 4.340 -0.005 0.000 0.213 592 L C 2.496 179.358 176.870 -0.013 0.000 1.100 592 L CA 1.263 56.094 54.840 -0.014 0.000 0.765 592 L CB -0.429 41.623 42.059 -0.013 0.000 0.904 592 L HN 0.254 nan 8.230 nan 0.000 0.437 593 K N -0.368 120.027 120.400 -0.009 0.000 2.217 593 K HA -0.076 4.241 4.320 -0.005 0.000 0.202 593 K C 1.694 178.287 176.600 -0.012 0.000 1.051 593 K CA 1.360 57.640 56.287 -0.012 0.000 0.952 593 K CB 0.125 32.617 32.500 -0.013 0.000 0.736 593 K HN 0.345 nan 8.250 nan 0.000 0.453 594 V N -2.299 117.611 119.914 -0.007 0.000 3.578 594 V HA 0.151 4.268 4.120 -0.005 0.000 0.290 594 V C 0.645 176.737 176.094 -0.004 0.000 1.376 594 V CA -0.495 61.802 62.300 -0.006 0.000 1.083 594 V CB 0.132 31.956 31.823 0.001 0.000 0.911 594 V HN -0.213 nan 8.190 nan 0.000 0.433 595 V N 3.146 123.052 119.914 -0.014 0.000 2.655 595 V HA 0.250 4.367 4.120 -0.005 0.000 0.300 595 V C 0.776 176.868 176.094 -0.003 0.000 1.044 595 V CA -0.232 62.055 62.300 -0.022 0.000 1.095 595 V CB 0.546 32.340 31.823 -0.048 0.000 0.952 595 V HN 0.498 nan 8.190 nan 0.000 0.485 596 R N 7.141 127.657 120.500 0.026 0.000 2.296 596 R HA 0.182 4.519 4.340 -0.005 0.000 0.323 596 R C -1.492 174.819 176.300 0.019 0.000 1.067 596 R CA -1.689 54.435 56.100 0.040 0.000 0.946 596 R CB 0.661 31.030 30.300 0.115 0.000 0.991 596 R HN 0.529 nan 8.270 nan 0.000 0.448 597 P HA -0.217 nan 4.420 nan 0.000 0.218 597 P C 0.492 177.794 177.300 0.003 0.000 1.148 597 P CA 1.383 64.482 63.100 -0.003 0.000 0.822 597 P CB 0.268 31.964 31.700 -0.006 0.000 0.784 598 D N 0.105 120.514 120.400 0.017 0.000 2.103 598 D HA -0.117 4.520 4.640 -0.005 0.000 0.199 598 D C 1.649 177.960 176.300 0.019 0.000 0.978 598 D CA 2.198 56.210 54.000 0.021 0.000 0.829 598 D CB -1.445 39.377 40.800 0.036 0.000 0.981 598 D HN 0.279 nan 8.370 nan 0.000 0.464 599 T N -3.516 111.059 114.554 0.034 0.000 3.022 599 T HA 0.133 4.481 4.350 -0.005 0.000 0.250 599 T C 0.655 175.347 174.700 -0.014 0.000 1.060 599 T CA -0.312 61.798 62.100 0.017 0.000 1.013 599 T CB 0.175 69.074 68.868 0.053 0.000 0.982 599 T HN -0.085 nan 8.240 nan 0.000 0.508 600 K N 0.772 121.164 120.400 -0.014 0.000 3.129 600 K HA -0.121 4.196 4.320 -0.005 0.000 0.273 600 K C -0.502 176.052 176.600 -0.077 0.000 1.123 600 K CA 0.752 57.011 56.287 -0.046 0.000 0.800 600 K CB -2.038 30.429 32.500 -0.056 0.000 1.238 600 K HN 0.580 nan 8.250 nan 0.000 0.492 601 K N 0.220 120.583 120.400 -0.061 0.000 2.208 601 K HA 0.582 4.899 4.320 -0.005 0.000 0.247 601 K C 0.152 176.649 176.600 -0.171 0.000 0.953 601 K CA -0.889 55.303 56.287 -0.159 0.000 0.837 601 K CB 2.258 34.618 32.500 -0.234 0.000 1.131 601 K HN 0.032 nan 8.250 nan 0.000 0.431 602 V N -0.872 118.887 119.914 -0.258 0.000 2.459 602 V HA 0.435 4.553 4.120 -0.005 0.000 0.295 602 V C -0.653 175.216 176.094 -0.374 0.000 1.029 602 V CA -0.685 61.512 62.300 -0.172 0.000 0.874 602 V CB 1.442 33.239 31.823 -0.044 0.000 0.985 602 V HN 0.722 nan 8.190 nan 0.000 0.438 603 H N 2.552 121.523 119.070 -0.164 0.000 2.725 603 H HA 0.376 4.929 4.556 -0.005 0.000 0.283 603 H C 0.228 175.407 175.328 -0.248 0.000 1.110 603 H CA -0.207 55.650 56.048 -0.319 0.000 1.289 603 H CB 1.711 31.022 29.762 -0.752 0.000 1.400 603 H HN 0.865 nan 8.280 nan 0.000 0.493 604 T N 2.853 117.353 114.554 -0.091 0.000 2.813 604 T HA 0.335 4.682 4.350 -0.005 0.000 0.297 604 T C 0.539 175.202 174.700 -0.062 0.000 1.036 604 T CA -0.340 61.671 62.100 -0.148 0.000 1.044 604 T CB 0.304 68.938 68.868 -0.389 0.000 0.993 604 T HN 0.416 nan 8.240 nan 0.000 0.535 605 I N 3.259 123.742 120.570 -0.144 0.000 2.389 605 I HA 0.328 4.495 4.170 -0.005 0.000 0.288 605 I C -0.910 175.126 176.117 -0.135 0.000 0.999 605 I CA -0.766 60.485 61.300 -0.081 0.000 1.129 605 I CB 1.355 39.236 38.000 -0.197 0.000 1.288 605 I HN 0.537 nan 8.210 nan 0.000 0.444 606 F N 4.909 124.932 119.950 0.122 0.000 2.404 606 F HA 0.230 4.754 4.527 -0.005 0.000 0.358 606 F C 0.870 176.706 175.800 0.060 0.000 1.120 606 F CA -0.475 57.575 58.000 0.083 0.000 1.144 606 F CB 0.336 39.382 39.000 0.077 0.000 1.133 606 F HN 0.405 nan 8.300 nan 0.000 0.495 607 N N 3.722 122.543 118.700 0.201 0.000 2.402 607 N HA -0.015 4.722 4.740 -0.005 0.000 0.252 607 N C 0.718 176.249 175.510 0.035 0.000 1.118 607 N CA 0.294 53.399 53.050 0.092 0.000 0.945 607 N CB 0.755 39.276 38.487 0.056 0.000 1.147 607 N HN 0.772 nan 8.380 nan 0.000 0.495 608 Q N 2.800 122.577 119.800 -0.038 0.000 2.424 608 Q HA 0.156 4.493 4.340 -0.005 0.000 0.204 608 Q C -0.179 175.523 176.000 -0.497 0.000 0.933 608 Q CA 0.313 56.029 55.803 -0.145 0.000 0.929 608 Q CB 0.321 29.001 28.738 -0.097 0.000 1.037 608 Q HN 0.629 nan 8.270 nan 0.000 0.511 609 A N 0.448 122.908 122.820 -0.600 0.000 2.956 609 A HA 0.291 4.608 4.320 -0.005 0.000 0.294 609 A C 0.041 177.228 177.584 -0.662 0.000 0.993 609 A CA -0.280 51.010 52.037 -1.245 0.000 1.032 609 A CB 0.337 18.937 19.000 -0.667 0.000 1.129 609 A HN 0.374 nan 8.150 nan 0.000 0.505 610 L N -0.238 120.771 121.223 -0.357 0.000 2.666 610 L HA 0.302 4.639 4.340 -0.005 0.000 0.184 610 L C 1.298 178.290 176.870 0.204 0.000 1.092 610 L CA 1.904 56.754 54.840 0.017 0.000 0.857 610 L CB -0.057 42.018 42.059 0.027 0.000 1.281 610 L HN 0.363 nan 8.230 nan 0.000 0.489 611 T N -1.169 113.506 114.554 0.201 0.000 2.932 611 T HA 0.010 4.357 4.350 -0.005 0.000 0.312 611 T C 0.816 175.665 174.700 0.248 0.000 1.071 611 T CA -0.207 62.017 62.100 0.205 0.000 1.128 611 T CB 0.525 69.488 68.868 0.158 0.000 0.984 611 T HN 0.360 nan 8.240 nan 0.000 0.549 612 Q N 1.777 121.656 119.800 0.132 0.000 2.435 612 Q HA 0.013 4.350 4.340 -0.005 0.000 0.207 612 Q C 2.180 178.195 176.000 0.025 0.000 0.956 612 Q CA 1.429 57.271 55.803 0.066 0.000 0.917 612 Q CB -0.310 28.447 28.738 0.031 0.000 0.997 612 Q HN 1.040 nan 8.270 nan 0.000 0.497 613 T N -4.870 109.716 114.554 0.053 0.000 3.001 613 T HA 0.396 4.743 4.350 -0.005 0.000 0.251 613 T C 1.302 176.032 174.700 0.049 0.000 1.040 613 T CA 0.624 62.744 62.100 0.032 0.000 0.985 613 T CB 0.739 69.624 68.868 0.029 0.000 1.011 613 T HN 0.306 nan 8.240 nan 0.000 0.509 614 G N 1.414 110.287 108.800 0.121 0.000 2.184 614 G HA2 -0.191 3.766 3.960 -0.005 0.000 0.206 614 G HA3 -0.191 3.766 3.960 -0.005 0.000 0.206 614 G C 0.218 175.223 174.900 0.175 0.000 0.995 614 G CA -0.362 44.836 45.100 0.164 0.000 0.651 614 G HN 0.615 nan 8.290 nan 0.000 0.511 615 R N -0.268 120.323 120.500 0.152 0.000 2.707 615 R HA 0.637 4.974 4.340 -0.005 0.000 0.270 615 R C 0.754 177.161 176.300 0.179 0.000 1.083 615 R CA -0.141 56.055 56.100 0.161 0.000 1.182 615 R CB 0.338 30.712 30.300 0.123 0.000 1.084 615 R HN 0.274 nan 8.270 nan 0.000 0.528 616 L N 0.019 121.363 121.223 0.203 0.000 2.400 616 L HA 0.418 4.755 4.340 -0.005 0.000 0.264 616 L C 0.337 177.367 176.870 0.266 0.000 1.061 616 L CA -0.523 54.426 54.840 0.181 0.000 0.799 616 L CB 1.590 43.721 42.059 0.121 0.000 1.240 616 L HN 0.714 nan 8.230 nan 0.000 0.461 617 S N -0.767 115.086 115.700 0.255 0.000 2.632 617 S HA 0.683 5.150 4.470 -0.005 0.000 0.289 617 S C -0.845 173.911 174.600 0.260 0.000 1.115 617 S CA -0.709 57.639 58.200 0.247 0.000 0.889 617 S CB 1.990 65.287 63.200 0.162 0.000 1.116 617 S HN 0.527 nan 8.310 nan 0.000 0.486 618 S N 0.791 116.595 115.700 0.174 0.000 2.521 618 S HA 0.829 5.296 4.470 -0.005 0.000 0.295 618 S C -0.765 173.831 174.600 -0.007 0.000 1.098 618 S CA -0.239 57.976 58.200 0.025 0.000 0.999 618 S CB 1.121 64.330 63.200 0.015 0.000 1.034 618 S HN 1.355 nan 8.310 nan 0.000 0.483 619 T N 0.704 115.217 114.554 -0.069 0.000 2.896 619 T HA 0.595 4.943 4.350 -0.005 0.000 0.297 619 T C -0.715 173.953 174.700 -0.052 0.000 1.108 619 T CA -0.787 61.291 62.100 -0.037 0.000 1.004 619 T CB 1.134 69.988 68.868 -0.023 0.000 1.159 619 T HN 0.691 nan 8.240 nan 0.000 0.499 620 E N 1.629 121.814 120.200 -0.026 0.000 2.197 620 E HA -0.136 4.211 4.350 -0.005 0.000 0.184 620 E C -2.333 174.258 176.600 -0.014 0.000 1.439 620 E CA 0.228 56.616 56.400 -0.020 0.000 0.688 620 E CB -0.789 28.893 29.700 -0.029 0.000 1.090 620 E HN 0.584 nan 8.360 nan 0.000 0.341 621 P HA 0.115 nan 4.420 nan 0.000 0.285 621 P C -0.652 176.659 177.300 0.018 0.000 1.285 621 P CA -0.714 62.403 63.100 0.028 0.000 0.854 621 P CB 0.866 32.618 31.700 0.088 0.000 1.180 622 N N 1.077 119.806 118.700 0.049 0.000 2.401 622 N HA 0.100 4.837 4.740 -0.005 0.000 0.255 622 N C 0.324 175.905 175.510 0.118 0.000 1.110 622 N CA 0.022 53.112 53.050 0.066 0.000 0.949 622 N CB -0.522 38.017 38.487 0.086 0.000 1.110 622 N HN 0.319 nan 8.380 nan 0.000 0.490 623 L N 2.708 123.985 121.223 0.091 0.000 2.700 623 L HA 0.188 4.525 4.340 -0.005 0.000 0.234 623 L C 1.102 178.088 176.870 0.193 0.000 1.156 623 L CA 0.132 55.057 54.840 0.143 0.000 0.946 623 L CB 0.121 42.226 42.059 0.077 0.000 1.216 623 L HN 0.514 nan 8.230 nan 0.000 0.493 624 Q N 0.657 120.557 119.800 0.166 0.000 2.247 624 Q HA 0.081 4.419 4.340 -0.005 0.000 0.204 624 Q C 0.483 176.588 176.000 0.176 0.000 0.872 624 Q CA 0.024 55.917 55.803 0.150 0.000 0.951 624 Q CB 0.407 29.204 28.738 0.098 0.000 1.099 624 Q HN 0.437 nan 8.270 nan 0.000 0.501 625 N N -0.304 118.506 118.700 0.182 0.000 2.466 625 N HA 0.062 4.799 4.740 -0.005 0.000 0.272 625 N C -0.534 175.059 175.510 0.138 0.000 1.455 625 N CA -0.212 52.947 53.050 0.181 0.000 0.875 625 N CB 0.405 39.026 38.487 0.224 0.000 1.372 625 N HN -0.057 nan 8.380 nan 0.000 0.492 626 I N 1.754 122.326 120.570 0.003 0.000 2.556 626 I HA 0.253 4.420 4.170 -0.005 0.000 0.284 626 I C -1.819 174.063 176.117 -0.391 0.000 1.114 626 I CA -1.780 59.368 61.300 -0.252 0.000 1.418 626 I CB -0.078 37.689 38.000 -0.389 0.000 1.394 626 I HN -0.094 nan 8.210 nan 0.000 0.552 627 P HA 0.089 nan 4.420 nan 0.000 0.264 627 P C 0.593 177.702 177.300 -0.319 0.000 1.179 627 P CA 0.467 63.333 63.100 -0.391 0.000 0.763 627 P CB 1.065 32.499 31.700 -0.443 0.000 0.806 628 I N 0.974 121.408 120.570 -0.227 0.000 5.251 628 I HA 0.084 4.251 4.170 -0.005 0.000 0.340 628 I C 1.960 177.985 176.117 -0.152 0.000 1.201 628 I CA -0.085 61.083 61.300 -0.221 0.000 1.500 628 I CB 0.198 38.047 38.000 -0.250 0.000 1.636 628 I HN 0.107 nan 8.210 nan 0.000 0.561 629 R N 1.270 121.703 120.500 -0.112 0.000 2.070 629 R HA 0.028 4.366 4.340 -0.005 0.000 0.233 629 R C 0.418 176.676 176.300 -0.071 0.000 1.137 629 R CA 1.096 57.147 56.100 -0.082 0.000 0.945 629 R CB -0.073 30.192 30.300 -0.058 0.000 0.845 629 R HN 0.229 nan 8.270 nan 0.000 0.430 630 L N 1.302 122.488 121.223 -0.062 0.000 2.326 630 L HA 0.089 4.426 4.340 -0.005 0.000 0.278 630 L C 1.189 178.037 176.870 -0.036 0.000 1.092 630 L CA -0.445 54.370 54.840 -0.040 0.000 0.810 630 L CB 1.523 43.567 42.059 -0.025 0.000 1.153 630 L HN 0.160 nan 8.230 nan 0.000 0.439 631 E N 2.022 122.212 120.200 -0.017 0.000 2.118 631 E HA -0.232 4.115 4.350 -0.005 0.000 0.195 631 E C 1.521 178.137 176.600 0.027 0.000 0.992 631 E CA 1.758 58.167 56.400 0.015 0.000 0.804 631 E CB 0.282 29.993 29.700 0.019 0.000 0.741 631 E HN 0.672 nan 8.360 nan 0.000 0.458 632 E N -0.758 119.447 120.200 0.008 0.000 2.047 632 E HA -0.032 4.315 4.350 -0.005 0.000 0.191 632 E C 2.141 178.731 176.600 -0.017 0.000 0.987 632 E CA 1.324 57.726 56.400 0.003 0.000 0.799 632 E CB -0.926 28.784 29.700 0.016 0.000 0.752 632 E HN 0.363 nan 8.360 nan 0.000 0.449 633 G N 0.660 109.437 108.800 -0.039 0.000 2.421 633 G HA2 -0.290 3.667 3.960 -0.005 0.000 0.217 633 G HA3 -0.290 3.667 3.960 -0.005 0.000 0.217 633 G C 1.592 176.428 174.900 -0.107 0.000 1.143 633 G CA 0.532 45.577 45.100 -0.092 0.000 0.784 633 G HN 0.146 nan 8.290 nan 0.000 0.541 634 R N 0.488 120.953 120.500 -0.057 0.000 2.127 634 R HA -0.077 4.260 4.340 -0.005 0.000 0.238 634 R C 2.261 178.640 176.300 0.132 0.000 1.134 634 R CA 1.141 57.234 56.100 -0.011 0.000 0.975 634 R CB -0.047 30.267 30.300 0.023 0.000 0.865 634 R HN 0.082 nan 8.270 nan 0.000 0.447 635 K N 0.576 121.013 120.400 0.061 0.000 2.218 635 K HA -0.171 4.146 4.320 -0.005 0.000 0.205 635 K C 1.934 178.502 176.600 -0.054 0.000 1.046 635 K CA 1.215 57.450 56.287 -0.087 0.000 0.933 635 K CB -0.320 32.119 32.500 -0.103 0.000 0.728 635 K HN 0.381 nan 8.250 nan 0.000 0.454 636 I N 0.794 121.358 120.570 -0.010 0.000 2.335 636 I HA -0.266 3.901 4.170 -0.005 0.000 0.251 636 I C 2.201 178.427 176.117 0.181 0.000 1.129 636 I CA 1.142 62.475 61.300 0.055 0.000 1.402 636 I CB -0.229 37.779 38.000 0.013 0.000 1.069 636 I HN 0.133 nan 8.210 nan 0.000 0.424 637 R N 0.519 121.082 120.500 0.105 0.000 2.285 637 R HA -0.137 4.201 4.340 -0.005 0.000 0.213 637 R C 1.950 178.463 176.300 0.355 0.000 1.068 637 R CA 0.692 56.897 56.100 0.175 0.000 1.004 637 R CB -0.212 29.968 30.300 -0.199 0.000 0.873 637 R HN 0.552 nan 8.270 nan 0.000 0.467 638 Q N -0.236 119.671 119.800 0.178 0.000 2.436 638 Q HA -0.000 4.337 4.340 -0.005 0.000 0.209 638 Q C 1.683 177.765 176.000 0.136 0.000 0.965 638 Q CA 0.993 56.851 55.803 0.092 0.000 0.910 638 Q CB 0.228 28.872 28.738 -0.156 0.000 0.980 638 Q HN 0.311 nan 8.270 nan 0.000 0.491 639 A N 0.037 122.965 122.820 0.179 0.000 2.218 639 A HA 0.070 4.387 4.320 -0.005 0.000 0.209 639 A C 0.047 177.598 177.584 -0.055 0.000 1.168 639 A CA 0.084 52.142 52.037 0.035 0.000 0.804 639 A CB 0.155 19.124 19.000 -0.052 0.000 0.834 639 A HN 0.146 nan 8.150 nan 0.000 0.482 640 F N 0.518 120.579 119.950 0.186 0.000 2.361 640 F HA 0.468 4.992 4.527 -0.005 0.000 0.364 640 F C 0.347 176.254 175.800 0.178 0.000 1.120 640 F CA -0.827 57.297 58.000 0.207 0.000 1.102 640 F CB 1.398 40.631 39.000 0.388 0.000 1.183 640 F HN 0.057 nan 8.300 nan 0.000 0.476 641 V N 1.591 121.618 119.914 0.189 0.000 3.158 641 V HA 0.773 4.890 4.120 -0.005 0.000 0.315 641 V C -2.844 173.322 176.094 0.121 0.000 1.148 641 V CA -3.256 59.136 62.300 0.154 0.000 1.042 641 V CB 1.895 33.771 31.823 0.087 0.000 1.101 641 V HN 0.334 nan 8.190 nan 0.000 0.448 642 P HA 0.204 nan 4.420 nan 0.000 0.269 642 P C 0.713 178.021 177.300 0.013 0.000 1.215 642 P CA 0.352 63.530 63.100 0.130 0.000 0.780 642 P CB 0.776 32.603 31.700 0.211 0.000 0.898 643 S N 0.005 115.664 115.700 -0.068 0.000 2.522 643 S HA 0.036 4.503 4.470 -0.005 0.000 0.227 643 S C 0.366 174.779 174.600 -0.311 0.000 0.986 643 S CA 0.447 58.540 58.200 -0.178 0.000 0.929 643 S CB -0.381 62.708 63.200 -0.184 0.000 0.769 643 S HN 0.473 nan 8.310 nan 0.000 0.529 644 E N 1.212 121.147 120.200 -0.441 0.000 2.393 644 E HA 0.448 4.796 4.350 -0.005 0.000 0.273 644 E C -1.048 175.418 176.600 -0.224 0.000 0.918 644 E CA -0.803 55.293 56.400 -0.506 0.000 0.773 644 E CB 2.154 31.194 29.700 -1.101 0.000 1.275 644 E HN 0.353 nan 8.360 nan 0.000 0.451 645 S N 1.085 116.721 115.700 -0.106 0.000 2.576 645 S HA 0.139 4.606 4.470 -0.005 0.000 0.276 645 S C 0.102 174.796 174.600 0.156 0.000 1.339 645 S CA -0.371 57.846 58.200 0.029 0.000 1.039 645 S CB 0.511 63.721 63.200 0.017 0.000 0.902 645 S HN 0.670 nan 8.310 nan 0.000 0.516 646 D N -0.807 119.701 120.400 0.181 0.000 3.090 646 D HA -0.119 4.518 4.640 -0.005 0.000 0.215 646 D C -1.039 175.450 176.300 0.315 0.000 1.140 646 D CA 1.254 55.379 54.000 0.210 0.000 0.937 646 D CB -1.484 39.422 40.800 0.176 0.000 1.108 646 D HN 0.643 nan 8.370 nan 0.000 0.420 647 W N 0.201 121.504 121.300 0.006 0.000 2.576 647 W HA 0.744 5.401 4.660 -0.005 0.000 0.360 647 W C 0.478 177.016 176.519 0.033 0.000 1.109 647 W CA -0.394 56.948 57.345 -0.005 0.000 1.237 647 W CB 0.763 30.208 29.460 -0.025 0.000 1.369 647 W HN -0.185 nan 8.180 nan 0.000 0.609 648 L N 2.791 124.148 121.223 0.223 0.000 2.376 648 L HA 0.475 4.812 4.340 -0.005 0.000 0.258 648 L C -0.732 176.274 176.870 0.226 0.000 1.013 648 L CA -1.303 53.666 54.840 0.215 0.000 0.822 648 L CB 1.783 43.961 42.059 0.197 0.000 1.388 648 L HN 0.001 nan 8.230 nan 0.000 0.413 649 I N 1.642 122.365 120.570 0.255 0.000 2.342 649 I HA 0.263 4.430 4.170 -0.005 0.000 0.291 649 I C -0.606 175.700 176.117 0.314 0.000 1.010 649 I CA 0.062 61.507 61.300 0.243 0.000 1.308 649 I CB 0.892 39.024 38.000 0.220 0.000 1.400 649 I HN 0.329 nan 8.210 nan 0.000 0.488 650 F N 5.948 125.975 119.950 0.128 0.000 2.493 650 F HA 0.726 5.250 4.527 -0.005 0.000 0.329 650 F C -0.397 175.480 175.800 0.129 0.000 1.126 650 F CA -0.614 57.481 58.000 0.158 0.000 0.937 650 F CB 1.535 40.566 39.000 0.050 0.000 1.146 650 F HN 0.495 nan 8.300 nan 0.000 0.442 651 A N 4.641 127.380 122.820 -0.135 0.000 2.356 651 A HA 0.909 5.226 4.320 -0.005 0.000 0.310 651 A C -1.482 176.051 177.584 -0.086 0.000 1.075 651 A CA -0.302 51.746 52.037 0.017 0.000 0.746 651 A CB 0.946 20.032 19.000 0.144 0.000 1.221 651 A HN 1.238 nan 8.150 nan 0.000 0.443 652 A N 2.995 125.854 122.820 0.064 0.000 2.356 652 A HA 0.787 5.105 4.320 -0.005 0.000 0.310 652 A C -1.133 176.458 177.584 0.012 0.000 1.075 652 A CA -0.503 51.565 52.037 0.053 0.000 0.746 652 A CB 1.001 20.089 19.000 0.145 0.000 1.221 652 A HN 0.915 nan 8.150 nan 0.000 0.443 653 D N 1.212 121.608 120.400 -0.005 0.000 2.738 653 D HA 0.395 5.032 4.640 -0.005 0.000 0.237 653 D C -1.344 174.942 176.300 -0.023 0.000 1.123 653 D CA -0.349 53.656 54.000 0.008 0.000 0.856 653 D CB 0.884 41.741 40.800 0.095 0.000 1.552 653 D HN 0.344 nan 8.370 nan 0.000 0.480 654 Y N 0.502 120.839 120.300 0.062 0.000 2.425 654 Y HA 0.190 4.737 4.550 -0.005 0.000 0.331 654 Y C 1.369 177.289 175.900 0.033 0.000 1.157 654 Y CA 0.173 58.293 58.100 0.034 0.000 1.372 654 Y CB 1.153 39.620 38.460 0.012 0.000 1.253 654 Y HN 0.306 nan 8.280 nan 0.000 0.536 655 S N 4.443 120.251 115.700 0.180 0.000 2.430 655 S HA 0.147 4.614 4.470 -0.005 0.000 0.289 655 S C -0.376 174.268 174.600 0.073 0.000 1.143 655 S CA -0.679 57.592 58.200 0.118 0.000 1.067 655 S CB -0.001 63.255 63.200 0.094 0.000 0.964 655 S HN 0.713 nan 8.310 nan 0.000 0.485 656 Q N 2.788 122.632 119.800 0.075 0.000 2.451 656 Q HA -0.216 4.121 4.340 -0.005 0.000 0.305 656 Q C 0.641 176.573 176.000 -0.112 0.000 1.345 656 Q CA 0.739 56.555 55.803 0.021 0.000 0.854 656 Q CB -2.205 26.578 28.738 0.075 0.000 1.162 656 Q HN 0.916 nan 8.270 nan 0.000 0.440 657 I N -0.643 119.885 120.570 -0.069 0.000 2.286 657 I HA -0.273 3.894 4.170 -0.005 0.000 0.248 657 I C 2.004 178.009 176.117 -0.186 0.000 1.115 657 I CA 1.536 62.725 61.300 -0.184 0.000 1.392 657 I CB 0.235 38.084 38.000 -0.250 0.000 1.065 657 I HN 0.353 nan 8.210 nan 0.000 0.418 658 E N 0.550 120.690 120.200 -0.099 0.000 2.077 658 E HA -0.230 4.117 4.350 -0.005 0.000 0.193 658 E C 2.240 178.787 176.600 -0.090 0.000 0.989 658 E CA 1.359 57.712 56.400 -0.078 0.000 0.800 658 E CB -0.148 29.533 29.700 -0.032 0.000 0.746 658 E HN 0.534 nan 8.360 nan 0.000 0.452 659 L N 0.321 121.499 121.223 -0.074 0.000 2.156 659 L HA -0.086 4.251 4.340 -0.005 0.000 0.208 659 L C 2.516 179.311 176.870 -0.125 0.000 1.095 659 L CA 0.728 55.571 54.840 0.004 0.000 0.770 659 L CB -0.185 42.007 42.059 0.221 0.000 0.914 659 L HN 0.024 nan 8.230 nan 0.000 0.439 660 R N -0.676 119.513 120.500 -0.519 0.000 2.075 660 R HA -0.101 4.236 4.340 -0.005 0.000 0.232 660 R C 2.264 178.411 176.300 -0.255 0.000 1.126 660 R CA 0.987 56.679 56.100 -0.680 0.000 0.963 660 R CB -0.349 29.499 30.300 -0.753 0.000 0.858 660 R HN 0.125 nan 8.270 nan 0.000 0.435 661 V N 1.361 121.149 119.914 -0.209 0.000 2.343 661 V HA -0.219 3.898 4.120 -0.005 0.000 0.247 661 V C 2.134 178.184 176.094 -0.072 0.000 1.051 661 V CA 1.464 63.687 62.300 -0.128 0.000 1.036 661 V CB -0.405 31.332 31.823 -0.143 0.000 0.654 661 V HN 0.257 nan 8.190 nan 0.000 0.451 662 L N 1.118 122.288 121.223 -0.089 0.000 2.046 662 L HA -0.062 4.275 4.340 -0.005 0.000 0.208 662 L C 2.447 179.265 176.870 -0.087 0.000 1.077 662 L CA 2.432 57.203 54.840 -0.115 0.000 0.747 662 L CB -1.101 40.927 42.059 -0.053 0.000 0.896 662 L HN 0.205 nan 8.230 nan 0.000 0.432 663 A N -1.149 121.679 122.820 0.014 0.000 1.908 663 A HA -0.326 3.992 4.320 -0.005 0.000 0.218 663 A C 2.301 179.900 177.584 0.026 0.000 1.181 663 A CA 1.950 54.031 52.037 0.072 0.000 0.627 663 A CB -1.134 17.997 19.000 0.220 0.000 0.818 663 A HN 0.778 nan 8.150 nan 0.000 0.445 664 H N -0.174 118.853 119.070 -0.072 0.000 2.293 664 H HA -0.037 4.516 4.556 -0.005 0.000 0.300 664 H C 1.758 177.021 175.328 -0.108 0.000 1.082 664 H CA 2.118 58.118 56.048 -0.079 0.000 1.308 664 H CB -0.256 29.448 29.762 -0.097 0.000 1.375 664 H HN 0.410 nan 8.280 nan 0.000 0.495 665 I N 0.177 120.635 120.570 -0.188 0.000 2.226 665 I HA -0.205 3.962 4.170 -0.005 0.000 0.245 665 I C 2.533 178.431 176.117 -0.365 0.000 1.100 665 I CA 1.146 62.259 61.300 -0.311 0.000 1.374 665 I CB -0.393 37.380 38.000 -0.378 0.000 1.057 665 I HN 0.447 nan 8.210 nan 0.000 0.413 666 A N -0.395 122.205 122.820 -0.366 0.000 2.123 666 A HA -0.056 4.261 4.320 -0.005 0.000 0.214 666 A C 1.080 178.628 177.584 -0.060 0.000 1.152 666 A CA 0.220 52.150 52.037 -0.179 0.000 0.728 666 A CB -0.318 18.628 19.000 -0.090 0.000 0.814 666 A HN 0.500 nan 8.150 nan 0.000 0.464 667 E N 0.529 120.670 120.200 -0.099 0.000 2.360 667 E HA -0.193 4.154 4.350 -0.005 0.000 0.238 667 E C -0.582 176.024 176.600 0.010 0.000 1.186 667 E CA 0.634 56.999 56.400 -0.059 0.000 0.719 667 E CB -1.263 28.393 29.700 -0.074 0.000 1.236 667 E HN 0.730 nan 8.360 nan 0.000 0.386 668 D N 0.560 120.988 120.400 0.046 0.000 2.343 668 D HA -0.013 4.625 4.640 -0.005 0.000 0.255 668 D C 0.785 177.144 176.300 0.098 0.000 1.187 668 D CA -0.162 53.899 54.000 0.101 0.000 0.875 668 D CB 0.752 41.654 40.800 0.171 0.000 1.136 668 D HN 0.040 nan 8.370 nan 0.000 0.469 669 D N 3.430 123.872 120.400 0.070 0.000 2.123 669 D HA -0.199 4.438 4.640 -0.005 0.000 0.196 669 D C 1.476 177.810 176.300 0.057 0.000 0.992 669 D CA 0.965 54.994 54.000 0.049 0.000 0.833 669 D CB 0.086 40.898 40.800 0.020 0.000 0.954 669 D HN 0.481 nan 8.370 nan 0.000 0.455 670 N N 0.497 119.234 118.700 0.062 0.000 2.106 670 N HA -0.128 4.609 4.740 -0.005 0.000 0.188 670 N C 1.749 177.358 175.510 0.165 0.000 1.029 670 N CA 0.526 53.600 53.050 0.040 0.000 0.848 670 N CB -0.373 38.027 38.487 -0.144 0.000 1.007 670 N HN 0.042 nan 8.380 nan 0.000 0.423 671 L N 0.453 121.854 121.223 0.298 0.000 2.093 671 L HA 0.059 4.396 4.340 -0.005 0.000 0.208 671 L C 2.183 179.131 176.870 0.130 0.000 1.085 671 L CA 1.407 56.354 54.840 0.178 0.000 0.755 671 L CB -0.489 41.629 42.059 0.097 0.000 0.904 671 L HN 0.265 nan 8.230 nan 0.000 0.435 672 M N -1.197 118.493 119.600 0.150 0.000 2.086 672 M HA -0.202 4.275 4.480 -0.005 0.000 0.261 672 M C 2.165 178.540 176.300 0.124 0.000 1.067 672 M CA 1.841 57.239 55.300 0.163 0.000 1.116 672 M CB -0.462 32.204 32.600 0.109 0.000 1.348 672 M HN 0.215 nan 8.290 nan 0.000 0.407 673 E N 0.956 121.198 120.200 0.069 0.000 2.118 673 E HA -0.153 4.194 4.350 -0.005 0.000 0.195 673 E C 1.811 178.416 176.600 0.007 0.000 0.992 673 E CA 1.869 58.291 56.400 0.036 0.000 0.804 673 E CB -0.160 29.549 29.700 0.014 0.000 0.741 673 E HN 0.399 nan 8.360 nan 0.000 0.458 674 A N -0.250 122.542 122.820 -0.045 0.000 1.883 674 A HA -0.141 4.176 4.320 -0.005 0.000 0.217 674 A C 2.015 179.485 177.584 -0.190 0.000 1.186 674 A CA 1.586 53.521 52.037 -0.171 0.000 0.624 674 A CB -0.940 17.872 19.000 -0.314 0.000 0.822 674 A HN 0.376 nan 8.150 nan 0.000 0.444 675 F N -0.356 119.604 119.950 0.017 0.000 2.407 675 F HA 0.039 4.563 4.527 -0.005 0.000 0.299 675 F C 2.417 178.225 175.800 0.013 0.000 1.097 675 F CA 0.980 58.985 58.000 0.008 0.000 1.422 675 F CB -0.274 38.728 39.000 0.003 0.000 1.067 675 F HN 0.112 nan 8.300 nan 0.000 0.539 676 R N -0.183 120.418 120.500 0.167 0.000 2.189 676 R HA -0.010 4.327 4.340 -0.005 0.000 0.218 676 R C 1.782 178.126 176.300 0.072 0.000 1.074 676 R CA 0.760 56.924 56.100 0.107 0.000 0.991 676 R CB -0.120 30.226 30.300 0.078 0.000 0.883 676 R HN 0.214 nan 8.270 nan 0.000 0.457 677 R N 0.199 120.729 120.500 0.051 0.000 2.317 677 R HA -0.005 4.333 4.340 -0.005 0.000 0.208 677 R C -0.165 176.156 176.300 0.035 0.000 0.914 677 R CA 0.149 56.266 56.100 0.028 0.000 1.060 677 R CB 0.173 30.474 30.300 0.001 0.000 1.015 677 R HN 0.034 nan 8.270 nan 0.000 0.498 678 D N 1.167 121.611 120.400 0.072 0.000 2.689 678 D HA -0.169 4.468 4.640 -0.005 0.000 0.237 678 D C -0.753 175.569 176.300 0.038 0.000 1.148 678 D CA 0.535 54.592 54.000 0.095 0.000 0.656 678 D CB -0.993 39.857 40.800 0.083 0.000 1.050 678 D HN 0.187 nan 8.370 nan 0.000 0.426 679 L N -0.005 121.202 121.223 -0.025 0.000 2.466 679 L HA 0.212 4.550 4.340 -0.005 0.000 0.257 679 L C 1.226 178.054 176.870 -0.070 0.000 1.189 679 L CA -0.440 54.365 54.840 -0.057 0.000 0.813 679 L CB 0.363 42.363 42.059 -0.099 0.000 1.118 679 L HN 0.137 nan 8.230 nan 0.000 0.471 680 D N 1.429 121.800 120.400 -0.049 0.000 2.346 680 D HA -0.033 4.604 4.640 -0.005 0.000 0.260 680 D C 0.793 177.024 176.300 -0.115 0.000 1.252 680 D CA -0.116 53.855 54.000 -0.047 0.000 0.895 680 D CB 1.052 41.850 40.800 -0.003 0.000 1.097 680 D HN 0.389 nan 8.370 nan 0.000 0.489 681 I N 5.562 126.002 120.570 -0.218 0.000 2.361 681 I HA -0.253 3.914 4.170 -0.005 0.000 0.251 681 I C 1.829 177.824 176.117 -0.204 0.000 1.133 681 I CA 1.433 62.546 61.300 -0.312 0.000 1.413 681 I CB -0.245 37.526 38.000 -0.382 0.000 1.073 681 I HN 0.503 nan 8.210 nan 0.000 0.424 682 H N -0.622 118.449 119.070 0.003 0.000 2.363 682 H HA -0.016 4.538 4.556 -0.005 0.000 0.301 682 H C 2.201 177.539 175.328 0.017 0.000 1.074 682 H CA 1.844 57.902 56.048 0.016 0.000 1.354 682 H CB -0.986 28.791 29.762 0.025 0.000 1.397 682 H HN 0.276 nan 8.280 nan 0.000 0.516 683 T N 1.252 115.877 114.554 0.118 0.000 2.746 683 T HA -0.137 4.211 4.350 -0.005 0.000 0.267 683 T C 2.102 176.828 174.700 0.044 0.000 1.039 683 T CA 1.761 63.906 62.100 0.075 0.000 1.142 683 T CB 0.054 68.950 68.868 0.046 0.000 0.866 683 T HN 0.188 nan 8.240 nan 0.000 0.444 684 K N 1.275 121.681 120.400 0.009 0.000 2.057 684 K HA -0.041 4.276 4.320 -0.005 0.000 0.206 684 K C 2.187 178.803 176.600 0.027 0.000 1.050 684 K CA 1.644 57.927 56.287 -0.007 0.000 0.935 684 K CB -0.906 31.562 32.500 -0.053 0.000 0.715 684 K HN 0.210 nan 8.250 nan 0.000 0.439 685 T N 0.434 115.025 114.554 0.061 0.000 2.821 685 T HA -0.035 4.312 4.350 -0.005 0.000 0.267 685 T C 1.805 176.485 174.700 -0.032 0.000 1.046 685 T CA 1.258 63.419 62.100 0.102 0.000 1.139 685 T CB -0.466 68.488 68.868 0.143 0.000 0.871 685 T HN 0.393 nan 8.240 nan 0.000 0.454 686 A N 1.619 124.439 122.820 0.000 0.000 1.858 686 A HA -0.081 4.237 4.320 -0.005 0.000 0.216 686 A C 2.341 179.952 177.584 0.044 0.000 1.190 686 A CA 1.628 53.682 52.037 0.029 0.000 0.617 686 A CB -0.760 18.369 19.000 0.214 0.000 0.827 686 A HN 0.440 nan 8.150 nan 0.000 0.443 687 M N -0.484 119.144 119.600 0.046 0.000 2.082 687 M HA -0.212 4.266 4.480 -0.005 0.000 0.258 687 M C 1.642 177.921 176.300 -0.035 0.000 1.069 687 M CA 1.940 57.256 55.300 0.027 0.000 1.102 687 M CB -0.611 31.990 32.600 0.001 0.000 1.336 687 M HN 0.359 nan 8.290 nan 0.000 0.404 688 D N 0.507 120.845 120.400 -0.104 0.000 2.084 688 D HA -0.090 4.548 4.640 -0.005 0.000 0.196 688 D C 1.856 178.032 176.300 -0.208 0.000 0.985 688 D CA 1.506 55.395 54.000 -0.186 0.000 0.826 688 D CB -0.391 40.221 40.800 -0.313 0.000 0.978 688 D HN 0.555 nan 8.370 nan 0.000 0.456 689 I N -2.849 117.542 120.570 -0.299 0.000 2.928 689 I HA -0.032 4.136 4.170 -0.005 0.000 0.266 689 I C 1.045 176.941 176.117 -0.369 0.000 1.234 689 I CA 0.857 61.930 61.300 -0.378 0.000 1.483 689 I CB -0.214 37.480 38.000 -0.510 0.000 1.097 689 I HN -0.240 nan 8.210 nan 0.000 0.455 690 F N 1.539 121.463 119.950 -0.044 0.000 2.678 690 F HA 0.313 4.837 4.527 -0.005 0.000 0.305 690 F C 0.684 176.471 175.800 -0.022 0.000 1.090 690 F CA -0.789 57.193 58.000 -0.031 0.000 1.272 690 F CB -0.489 38.482 39.000 -0.048 0.000 1.060 690 F HN 0.134 nan 8.300 nan 0.000 0.576 691 Q N 0.657 120.512 119.800 0.090 0.000 2.459 691 Q HA -0.116 4.221 4.340 -0.005 0.000 0.322 691 Q C -0.654 175.378 176.000 0.053 0.000 1.427 691 Q CA 0.509 56.338 55.803 0.043 0.000 0.861 691 Q CB -1.921 26.840 28.738 0.038 0.000 1.137 691 Q HN 0.311 nan 8.270 nan 0.000 0.394 692 V N -3.576 116.373 119.914 0.057 0.000 3.160 692 V HA 0.874 4.992 4.120 -0.005 0.000 0.310 692 V C 0.352 176.461 176.094 0.024 0.000 1.181 692 V CA -0.480 61.846 62.300 0.043 0.000 1.047 692 V CB 2.198 34.055 31.823 0.058 0.000 1.068 692 V HN 0.371 nan 8.190 nan 0.000 0.441 693 S N -0.446 115.263 115.700 0.014 0.000 2.632 693 S HA 0.303 4.770 4.470 -0.005 0.000 0.267 693 S C 0.948 175.554 174.600 0.011 0.000 1.276 693 S CA 0.504 58.708 58.200 0.006 0.000 0.998 693 S CB 1.114 64.315 63.200 0.001 0.000 0.953 693 S HN 1.128 nan 8.310 nan 0.000 0.547 694 E N 0.464 120.667 120.200 0.006 0.000 2.171 694 E HA -0.252 4.095 4.350 -0.005 0.000 0.197 694 E C 0.652 177.258 176.600 0.009 0.000 0.997 694 E CA 1.609 58.015 56.400 0.009 0.000 0.810 694 E CB -0.213 29.489 29.700 0.003 0.000 0.738 694 E HN 0.719 nan 8.360 nan 0.000 0.467 695 D N 0.175 120.577 120.400 0.004 0.000 2.347 695 D HA -0.074 4.563 4.640 -0.005 0.000 0.215 695 D C 0.847 177.147 176.300 0.001 0.000 0.976 695 D CA 0.661 54.662 54.000 0.002 0.000 0.884 695 D CB 0.116 40.916 40.800 -0.001 0.000 0.915 695 D HN 0.408 nan 8.370 nan 0.000 0.526 696 E N -0.025 120.178 120.200 0.004 0.000 2.474 696 E HA 0.070 4.417 4.350 -0.005 0.000 0.195 696 E C 0.075 176.675 176.600 0.001 0.000 1.039 696 E CA -0.098 56.303 56.400 0.001 0.000 0.881 696 E CB 1.133 30.835 29.700 0.005 0.000 0.970 696 E HN -0.048 nan 8.360 nan 0.000 0.486 697 V N 3.089 123.011 119.914 0.013 0.000 2.427 697 V HA 0.034 4.151 4.120 -0.005 0.000 0.268 697 V C 0.712 176.806 176.094 -0.001 0.000 1.046 697 V CA -0.182 62.130 62.300 0.022 0.000 0.970 697 V CB 0.524 32.376 31.823 0.049 0.000 1.001 697 V HN 0.222 nan 8.190 nan 0.000 0.476 698 T N 3.585 118.122 114.554 -0.028 0.000 2.874 698 T HA 0.349 4.696 4.350 -0.005 0.000 0.281 698 T C -1.690 172.994 174.700 -0.027 0.000 0.994 698 T CA -1.851 60.227 62.100 -0.036 0.000 1.015 698 T CB 1.509 70.339 68.868 -0.062 0.000 1.028 698 T HN 0.351 nan 8.240 nan 0.000 0.523 699 P HA -0.091 nan 4.420 nan 0.000 0.216 699 P C 1.449 178.733 177.300 -0.026 0.000 1.153 699 P CA 0.953 64.041 63.100 -0.019 0.000 0.858 699 P CB -0.027 31.661 31.700 -0.021 0.000 0.789 700 N N -1.391 117.284 118.700 -0.041 0.000 2.188 700 N HA -0.102 4.635 4.740 -0.005 0.000 0.184 700 N C 1.633 177.107 175.510 -0.059 0.000 1.018 700 N CA 1.240 54.262 53.050 -0.047 0.000 0.858 700 N CB -0.568 37.884 38.487 -0.058 0.000 0.989 700 N HN 0.026 nan 8.380 nan 0.000 0.426 701 M N -0.338 119.204 119.600 -0.096 0.000 2.086 701 M HA -0.119 4.358 4.480 -0.005 0.000 0.261 701 M C 2.287 178.656 176.300 0.115 0.000 1.067 701 M CA 1.303 56.543 55.300 -0.100 0.000 1.116 701 M CB -0.179 32.321 32.600 -0.166 0.000 1.348 701 M HN 0.125 nan 8.290 nan 0.000 0.407 702 R N 0.274 120.814 120.500 0.067 0.000 2.096 702 R HA -0.170 4.167 4.340 -0.005 0.000 0.235 702 R C 2.289 178.601 176.300 0.020 0.000 1.127 702 R CA 1.602 57.746 56.100 0.074 0.000 0.968 702 R CB -0.204 30.128 30.300 0.053 0.000 0.861 702 R HN 0.277 nan 8.270 nan 0.000 0.440 703 R N 0.395 120.890 120.500 -0.009 0.000 2.073 703 R HA -0.161 4.177 4.340 -0.005 0.000 0.234 703 R C 2.095 178.376 176.300 -0.031 0.000 1.134 703 R CA 2.000 58.072 56.100 -0.046 0.000 0.952 703 R CB -0.089 30.189 30.300 -0.035 0.000 0.850 703 R HN 0.401 nan 8.270 nan 0.000 0.433 704 Q N -0.639 119.173 119.800 0.020 0.000 2.172 704 Q HA -0.044 4.294 4.340 -0.005 0.000 0.200 704 Q C 2.039 178.037 176.000 -0.003 0.000 0.964 704 Q CA 1.177 57.003 55.803 0.038 0.000 0.855 704 Q CB 0.081 28.861 28.738 0.070 0.000 0.918 704 Q HN 0.434 nan 8.270 nan 0.000 0.444 705 A N 1.597 124.435 122.820 0.029 0.000 1.930 705 A HA -0.185 4.132 4.320 -0.005 0.000 0.217 705 A C 2.025 179.624 177.584 0.026 0.000 1.175 705 A CA 1.298 53.331 52.037 -0.006 0.000 0.627 705 A CB -0.322 18.711 19.000 0.055 0.000 0.815 705 A HN 0.165 nan 8.150 nan 0.000 0.443 706 K N -0.050 120.314 120.400 -0.059 0.000 2.026 706 K HA -0.101 4.216 4.320 -0.005 0.000 0.208 706 K C 2.171 178.725 176.600 -0.077 0.000 1.048 706 K CA 1.267 57.399 56.287 -0.259 0.000 0.929 706 K CB -0.372 31.761 32.500 -0.612 0.000 0.713 706 K HN 0.327 nan 8.250 nan 0.000 0.439 707 A N 0.927 123.719 122.820 -0.047 0.000 1.908 707 A HA -0.135 4.182 4.320 -0.005 0.000 0.218 707 A C 2.258 179.892 177.584 0.082 0.000 1.181 707 A CA 1.833 53.895 52.037 0.042 0.000 0.627 707 A CB -0.695 18.336 19.000 0.051 0.000 0.818 707 A HN 0.203 nan 8.150 nan 0.000 0.445 708 V N 0.798 120.726 119.914 0.023 0.000 2.343 708 V HA -0.254 3.863 4.120 -0.005 0.000 0.247 708 V C 2.330 178.349 176.094 -0.125 0.000 1.051 708 V CA 2.108 64.381 62.300 -0.046 0.000 1.036 708 V CB -0.943 30.837 31.823 -0.071 0.000 0.654 708 V HN 0.556 nan 8.190 nan 0.000 0.451 709 N N -0.090 118.591 118.700 -0.032 0.000 2.106 709 N HA -0.150 4.587 4.740 -0.005 0.000 0.188 709 N C 1.700 177.163 175.510 -0.077 0.000 1.029 709 N CA 1.503 54.532 53.050 -0.036 0.000 0.848 709 N CB -0.566 38.021 38.487 0.167 0.000 1.007 709 N HN 0.493 nan 8.380 nan 0.000 0.423 710 F N 1.473 121.325 119.950 -0.163 0.000 2.236 710 F HA -0.092 4.432 4.527 -0.004 0.000 0.302 710 F C 2.009 177.512 175.800 -0.496 0.000 1.073 710 F CA 1.431 59.259 58.000 -0.287 0.000 1.336 710 F CB -0.347 38.576 39.000 -0.128 0.000 1.040 710 F HN 0.011 nan 8.300 nan 0.000 0.507 711 G N 0.273 108.955 108.800 -0.196 0.000 2.447 711 G HA2 -0.088 3.869 3.960 -0.005 0.000 0.211 711 G HA3 -0.088 3.869 3.960 -0.005 0.000 0.211 711 G C 1.628 176.375 174.900 -0.255 0.000 1.184 711 G CA 0.565 45.548 45.100 -0.196 0.000 0.813 711 G HN 0.256 nan 8.290 nan 0.000 0.540 712 I N 1.443 121.833 120.570 -0.301 0.000 2.229 712 I HA -0.195 3.973 4.170 -0.005 0.000 0.250 712 I C 2.894 178.899 176.117 -0.186 0.000 1.096 712 I CA 1.032 62.146 61.300 -0.309 0.000 1.358 712 I CB -0.917 36.746 38.000 -0.562 0.000 1.047 712 I HN 0.012 nan 8.210 nan 0.000 0.422 713 V N -0.082 119.658 119.914 -0.290 0.000 2.343 713 V HA -0.259 3.858 4.120 -0.005 0.000 0.247 713 V C 1.858 177.908 176.094 -0.074 0.000 1.051 713 V CA 1.543 63.697 62.300 -0.242 0.000 1.036 713 V CB -0.784 30.773 31.823 -0.444 0.000 0.654 713 V HN 0.305 nan 8.190 nan 0.000 0.451 714 Y N 0.702 120.929 120.300 -0.120 0.000 2.470 714 Y HA 0.531 5.078 4.550 -0.005 0.000 0.302 714 Y C 1.312 177.204 175.900 -0.014 0.000 1.194 714 Y CA -0.489 57.559 58.100 -0.087 0.000 1.271 714 Y CB -0.738 37.626 38.460 -0.160 0.000 1.092 714 Y HN 0.285 nan 8.280 nan 0.000 0.513 715 G N 0.870 109.746 108.800 0.126 0.000 3.295 715 G HA2 -0.190 3.768 3.960 -0.005 0.000 0.686 715 G HA3 -0.190 3.768 3.960 -0.005 0.000 0.686 715 G C -0.484 174.474 174.900 0.096 0.000 0.958 715 G CA -1.090 44.078 45.100 0.114 0.000 0.787 715 G HN 0.077 nan 8.290 nan 0.000 0.523 716 I N 1.845 122.477 120.570 0.103 0.000 2.996 716 I HA 0.106 4.274 4.170 -0.005 0.000 0.285 716 I C 1.169 177.340 176.117 0.089 0.000 1.173 716 I CA 1.146 62.504 61.300 0.096 0.000 1.396 716 I CB 0.242 38.359 38.000 0.196 0.000 1.470 716 I HN 0.607 nan 8.210 nan 0.000 0.586 717 S N 4.787 120.532 115.700 0.074 0.000 2.259 717 S HA 0.233 4.700 4.470 -0.005 0.000 0.181 717 S C 1.045 175.682 174.600 0.061 0.000 1.589 717 S CA -0.805 57.446 58.200 0.086 0.000 1.234 717 S CB 0.135 63.397 63.200 0.103 0.000 1.119 717 S HN 0.656 nan 8.310 nan 0.000 0.458 718 D N 2.309 122.697 120.400 -0.020 0.000 2.218 718 D HA -0.299 4.338 4.640 -0.005 0.000 0.194 718 D C 1.109 177.381 176.300 -0.046 0.000 1.007 718 D CA 1.890 55.844 54.000 -0.077 0.000 0.879 718 D CB -0.474 40.217 40.800 -0.182 0.000 0.918 718 D HN 0.626 nan 8.370 nan 0.000 0.449 719 Y N 1.058 121.390 120.300 0.054 0.000 2.097 719 Y HA -0.008 4.540 4.550 -0.005 0.000 0.282 719 Y C 3.005 178.931 175.900 0.044 0.000 1.152 719 Y CA 1.523 59.649 58.100 0.043 0.000 1.136 719 Y CB -1.046 37.437 38.460 0.039 0.000 0.975 719 Y HN 0.180 nan 8.280 nan 0.000 0.498 720 G N -0.671 108.258 108.800 0.215 0.000 2.422 720 G HA2 -0.212 3.745 3.960 -0.005 0.000 0.218 720 G HA3 -0.212 3.745 3.960 -0.005 0.000 0.218 720 G C 1.660 176.650 174.900 0.151 0.000 1.140 720 G CA 0.934 46.126 45.100 0.154 0.000 0.775 720 G HN 0.328 nan 8.290 nan 0.000 0.545 721 L N 1.259 122.561 121.223 0.131 0.000 2.023 721 L HA 0.280 4.617 4.340 -0.005 0.000 0.205 721 L C 3.045 179.984 176.870 0.115 0.000 1.073 721 L CA 2.099 57.015 54.840 0.126 0.000 0.745 721 L CB -0.819 41.298 42.059 0.097 0.000 0.900 721 L HN 0.196 nan 8.230 nan 0.000 0.435 722 A N -1.012 121.860 122.820 0.086 0.000 1.940 722 A HA -0.302 4.016 4.320 -0.005 0.000 0.219 722 A C 2.334 179.971 177.584 0.089 0.000 1.176 722 A CA 1.962 54.040 52.037 0.069 0.000 0.631 722 A CB -0.759 18.269 19.000 0.047 0.000 0.814 722 A HN 0.680 nan 8.150 nan 0.000 0.446 723 Q N -0.504 119.361 119.800 0.109 0.000 2.079 723 Q HA -0.221 4.116 4.340 -0.005 0.000 0.200 723 Q C 1.763 177.818 176.000 0.092 0.000 0.974 723 Q CA 1.907 57.769 55.803 0.099 0.000 0.840 723 Q CB -0.147 28.653 28.738 0.103 0.000 0.898 723 Q HN 0.749 nan 8.270 nan 0.000 0.430 724 N N -0.143 118.621 118.700 0.107 0.000 2.171 724 N HA -0.042 4.695 4.740 -0.005 0.000 0.184 724 N C 1.068 176.627 175.510 0.083 0.000 1.021 724 N CA 0.849 53.957 53.050 0.097 0.000 0.854 724 N CB 0.121 38.684 38.487 0.128 0.000 0.994 724 N HN 0.195 nan 8.380 nan 0.000 0.426 725 L N 0.330 121.615 121.223 0.102 0.000 2.612 725 L HA 0.141 4.478 4.340 -0.005 0.000 0.230 725 L C 0.110 177.034 176.870 0.090 0.000 1.140 725 L CA -0.172 54.734 54.840 0.111 0.000 0.896 725 L CB -0.566 41.600 42.059 0.179 0.000 1.065 725 L HN 0.229 nan 8.230 nan 0.000 0.447 726 N N 1.761 120.506 118.700 0.075 0.000 2.699 726 N HA -0.230 4.507 4.740 -0.005 0.000 0.256 726 N C -0.439 175.104 175.510 0.055 0.000 0.993 726 N CA 0.761 53.849 53.050 0.063 0.000 0.759 726 N CB -0.916 37.604 38.487 0.056 0.000 0.906 726 N HN 0.613 nan 8.380 nan 0.000 0.541 727 I N -4.170 116.430 120.570 0.050 0.000 3.322 727 I HA 0.641 4.808 4.170 -0.005 0.000 0.313 727 I C 0.659 176.779 176.117 0.007 0.000 1.129 727 I CA -0.985 60.328 61.300 0.022 0.000 0.963 727 I CB 1.603 39.605 38.000 0.004 0.000 1.273 727 I HN 0.146 nan 8.210 nan 0.000 0.473 728 S N 0.979 116.665 115.700 -0.023 0.000 2.608 728 S HA 0.319 4.786 4.470 -0.005 0.000 0.261 728 S C 0.827 175.400 174.600 -0.044 0.000 1.314 728 S CA -0.445 57.742 58.200 -0.021 0.000 0.992 728 S CB 1.314 64.495 63.200 -0.032 0.000 0.935 728 S HN 0.744 nan 8.310 nan 0.000 0.564 729 R N 1.336 121.816 120.500 -0.034 0.000 2.061 729 R HA 0.076 4.413 4.340 -0.005 0.000 0.230 729 R C 2.337 178.561 176.300 -0.128 0.000 1.140 729 R CA 1.802 57.847 56.100 -0.091 0.000 0.940 729 R CB -1.015 29.229 30.300 -0.093 0.000 0.839 729 R HN 0.825 nan 8.270 nan 0.000 0.429 730 K N 1.194 121.534 120.400 -0.100 0.000 2.044 730 K HA -0.220 4.097 4.320 -0.005 0.000 0.210 730 K C 1.913 178.430 176.600 -0.138 0.000 1.049 730 K CA 1.957 58.185 56.287 -0.099 0.000 0.927 730 K CB -0.058 32.401 32.500 -0.068 0.000 0.713 730 K HN 0.250 nan 8.250 nan 0.000 0.443 731 E N -0.306 119.791 120.200 -0.172 0.000 2.085 731 E HA -0.212 4.135 4.350 -0.005 0.000 0.194 731 E C 1.945 178.266 176.600 -0.465 0.000 0.994 731 E CA 1.121 57.336 56.400 -0.309 0.000 0.801 731 E CB -0.140 29.388 29.700 -0.287 0.000 0.743 731 E HN 0.481 nan 8.360 nan 0.000 0.453 732 A N 1.209 123.857 122.820 -0.287 0.000 1.933 732 A HA -0.089 4.228 4.320 -0.005 0.000 0.218 732 A C 2.335 179.848 177.584 -0.119 0.000 1.175 732 A CA 1.585 53.507 52.037 -0.191 0.000 0.628 732 A CB -0.477 18.478 19.000 -0.075 0.000 0.814 732 A HN 0.298 nan 8.150 nan 0.000 0.444 733 A N -0.215 122.535 122.820 -0.117 0.000 1.968 733 A HA -0.098 4.220 4.320 -0.005 0.000 0.217 733 A C 1.857 179.429 177.584 -0.020 0.000 1.169 733 A CA 1.408 53.414 52.037 -0.051 0.000 0.638 733 A CB -0.427 18.540 19.000 -0.054 0.000 0.812 733 A HN 0.631 nan 8.150 nan 0.000 0.446 734 E N -0.876 119.276 120.200 -0.081 0.000 2.110 734 E HA -0.166 4.181 4.350 -0.005 0.000 0.193 734 E C 1.607 178.275 176.600 0.113 0.000 0.988 734 E CA 1.150 57.535 56.400 -0.025 0.000 0.804 734 E CB -0.275 29.364 29.700 -0.102 0.000 0.745 734 E HN 0.633 nan 8.360 nan 0.000 0.458 735 F N 0.840 120.799 119.950 0.015 0.000 2.113 735 F HA -0.116 4.408 4.527 -0.005 0.000 0.297 735 F C 2.213 177.979 175.800 -0.058 0.000 1.103 735 F CA 0.599 58.593 58.000 -0.010 0.000 1.248 735 F CB -0.856 38.146 39.000 0.003 0.000 0.999 735 F HN -0.013 nan 8.300 nan 0.000 0.475 736 I N 0.042 120.676 120.570 0.106 0.000 2.118 736 I HA -0.340 3.827 4.170 -0.005 0.000 0.241 736 I C 2.506 178.534 176.117 -0.148 0.000 1.070 736 I CA 1.971 63.190 61.300 -0.135 0.000 1.327 736 I CB -0.537 37.401 38.000 -0.104 0.000 1.034 736 I HN 0.072 nan 8.210 nan 0.000 0.405 737 E N 1.246 121.484 120.200 0.064 0.000 2.097 737 E HA -0.241 4.106 4.350 -0.005 0.000 0.196 737 E C 2.256 178.943 176.600 0.145 0.000 1.000 737 E CA 1.514 58.019 56.400 0.175 0.000 0.804 737 E CB -0.040 29.748 29.700 0.145 0.000 0.740 737 E HN 0.191 nan 8.360 nan 0.000 0.454 738 R N -0.579 119.984 120.500 0.105 0.000 2.092 738 R HA -0.132 4.205 4.340 -0.005 0.000 0.231 738 R C 2.294 178.615 176.300 0.035 0.000 1.119 738 R CA 1.413 57.551 56.100 0.064 0.000 0.970 738 R CB -1.135 29.198 30.300 0.054 0.000 0.864 738 R HN 0.404 nan 8.270 nan 0.000 0.440 739 Y N 0.675 120.915 120.300 -0.099 0.000 2.181 739 Y HA -0.196 4.351 4.550 -0.005 0.000 0.288 739 Y C 1.847 177.799 175.900 0.087 0.000 1.146 739 Y CA 1.345 59.411 58.100 -0.056 0.000 1.164 739 Y CB -0.349 37.982 38.460 -0.214 0.000 0.982 739 Y HN -0.150 nan 8.280 nan 0.000 0.515 740 F N 0.621 120.783 119.950 0.354 0.000 2.293 740 F HA -0.129 4.396 4.527 -0.005 0.000 0.300 740 F C 2.383 178.228 175.800 0.074 0.000 1.086 740 F CA 1.205 59.356 58.000 0.251 0.000 1.375 740 F CB -0.693 38.431 39.000 0.208 0.000 1.045 740 F HN 0.101 nan 8.300 nan 0.000 0.516 741 E N -0.115 120.194 120.200 0.181 0.000 2.106 741 E HA -0.099 4.249 4.350 -0.005 0.000 0.192 741 E C 2.282 178.819 176.600 -0.106 0.000 0.984 741 E CA 1.103 57.528 56.400 0.043 0.000 0.806 741 E CB -0.213 29.500 29.700 0.020 0.000 0.750 741 E HN 0.257 nan 8.360 nan 0.000 0.458 742 S N -0.371 115.171 115.700 -0.263 0.000 2.470 742 S HA 0.030 4.497 4.470 -0.005 0.000 0.225 742 S C 0.352 174.389 174.600 -0.938 0.000 1.006 742 S CA 0.311 58.129 58.200 -0.637 0.000 0.934 742 S CB 0.091 62.769 63.200 -0.869 0.000 0.778 742 S HN 0.087 nan 8.310 nan 0.000 0.517 743 F N 1.431 121.258 119.950 -0.204 0.000 2.584 743 F HA 0.357 4.881 4.527 -0.005 0.000 0.328 743 F C -1.949 173.888 175.800 0.062 0.000 1.407 743 F CA -2.349 55.575 58.000 -0.126 0.000 1.145 743 F CB 1.109 39.933 39.000 -0.294 0.000 1.440 743 F HN -0.044 nan 8.300 nan 0.000 0.580 744 P HA -0.146 nan 4.420 nan 0.000 0.219 744 P C 1.722 179.106 177.300 0.140 0.000 1.146 744 P CA 1.512 64.690 63.100 0.130 0.000 0.808 744 P CB 0.339 32.071 31.700 0.053 0.000 0.779 745 G N 0.466 109.357 108.800 0.153 0.000 2.418 745 G HA2 -0.200 3.757 3.960 -0.005 0.000 0.217 745 G HA3 -0.200 3.757 3.960 -0.005 0.000 0.217 745 G C 1.738 176.758 174.900 0.200 0.000 1.158 745 G CA 0.728 45.913 45.100 0.141 0.000 0.771 745 G HN 0.172 nan 8.290 nan 0.000 0.545 746 V N 0.947 121.032 119.914 0.284 0.000 2.343 746 V HA -0.185 3.932 4.120 -0.005 0.000 0.247 746 V C 2.678 178.969 176.094 0.328 0.000 1.051 746 V CA 2.281 64.800 62.300 0.365 0.000 1.036 746 V CB -0.419 31.707 31.823 0.504 0.000 0.654 746 V HN 0.442 nan 8.190 nan 0.000 0.451 747 K N 0.373 120.914 120.400 0.236 0.000 2.026 747 K HA -0.244 4.073 4.320 -0.005 0.000 0.208 747 K C 2.435 178.970 176.600 -0.107 0.000 1.048 747 K CA 1.889 58.075 56.287 -0.167 0.000 0.929 747 K CB -0.222 32.144 32.500 -0.224 0.000 0.713 747 K HN 0.322 nan 8.250 nan 0.000 0.439 748 R N -0.344 120.159 120.500 0.005 0.000 2.091 748 R HA -0.226 4.111 4.340 -0.005 0.000 0.238 748 R C 2.389 178.703 176.300 0.023 0.000 1.136 748 R CA 1.878 57.980 56.100 0.003 0.000 0.959 748 R CB -0.553 29.770 30.300 0.038 0.000 0.856 748 R HN 0.354 nan 8.270 nan 0.000 0.437 749 Y N 0.910 121.204 120.300 -0.011 0.000 2.097 749 Y HA -0.249 4.299 4.550 -0.005 0.000 0.282 749 Y C 2.136 178.026 175.900 -0.017 0.000 1.152 749 Y CA 1.891 59.989 58.100 -0.004 0.000 1.136 749 Y CB -0.238 38.237 38.460 0.025 0.000 0.975 749 Y HN 0.026 nan 8.280 nan 0.000 0.498 750 M N 0.480 119.938 119.600 -0.238 0.000 2.149 750 M HA -0.210 4.267 4.480 -0.005 0.000 0.261 750 M C 1.936 178.064 176.300 -0.287 0.000 1.064 750 M CA 1.776 56.886 55.300 -0.317 0.000 1.102 750 M CB -1.155 31.380 32.600 -0.108 0.000 1.369 750 M HN 0.447 nan 8.290 nan 0.000 0.408 751 E N 0.055 120.123 120.200 -0.220 0.000 2.046 751 E HA -0.133 4.214 4.350 -0.005 0.000 0.190 751 E C 1.807 178.308 176.600 -0.165 0.000 0.982 751 E CA 1.109 57.408 56.400 -0.169 0.000 0.800 751 E CB -0.253 29.367 29.700 -0.134 0.000 0.756 751 E HN 0.648 nan 8.360 nan 0.000 0.449 752 N N 0.637 119.238 118.700 -0.166 0.000 2.120 752 N HA -0.152 4.585 4.740 -0.005 0.000 0.188 752 N C 1.954 177.351 175.510 -0.189 0.000 1.024 752 N CA 0.483 53.450 53.050 -0.138 0.000 0.852 752 N CB -0.039 38.402 38.487 -0.076 0.000 1.003 752 N HN 0.034 nan 8.380 nan 0.000 0.424 753 I N 0.906 121.273 120.570 -0.340 0.000 2.226 753 I HA -0.182 3.985 4.170 -0.005 0.000 0.245 753 I C 1.878 177.862 176.117 -0.222 0.000 1.100 753 I CA 1.024 62.121 61.300 -0.338 0.000 1.374 753 I CB -0.222 37.399 38.000 -0.633 0.000 1.057 753 I HN -0.086 nan 8.210 nan 0.000 0.413 754 V N 0.358 120.147 119.914 -0.208 0.000 2.407 754 V HA -0.321 3.796 4.120 -0.005 0.000 0.248 754 V C 2.484 178.511 176.094 -0.111 0.000 1.055 754 V CA 2.212 64.429 62.300 -0.138 0.000 1.049 754 V CB -0.803 30.951 31.823 -0.115 0.000 0.662 754 V HN 0.580 nan 8.190 nan 0.000 0.455 755 Q N -0.197 119.536 119.800 -0.111 0.000 2.119 755 Q HA -0.253 4.084 4.340 -0.005 0.000 0.201 755 Q C 2.322 178.264 176.000 -0.097 0.000 0.972 755 Q CA 1.948 57.698 55.803 -0.088 0.000 0.847 755 Q CB -0.098 28.593 28.738 -0.077 0.000 0.903 755 Q HN 0.758 nan 8.270 nan 0.000 0.433 756 E N -0.536 119.593 120.200 -0.118 0.000 2.106 756 E HA -0.181 4.167 4.350 -0.005 0.000 0.192 756 E C 1.734 178.228 176.600 -0.177 0.000 0.984 756 E CA 0.875 57.192 56.400 -0.139 0.000 0.806 756 E CB -0.081 29.536 29.700 -0.138 0.000 0.750 756 E HN 0.464 nan 8.360 nan 0.000 0.458 757 A N 1.391 124.117 122.820 -0.156 0.000 1.930 757 A HA -0.187 4.131 4.320 -0.005 0.000 0.217 757 A C 2.084 179.606 177.584 -0.103 0.000 1.175 757 A CA 1.582 53.531 52.037 -0.147 0.000 0.627 757 A CB -0.373 18.565 19.000 -0.104 0.000 0.815 757 A HN 0.170 nan 8.150 nan 0.000 0.443 758 K N -0.758 119.592 120.400 -0.082 0.000 2.062 758 K HA -0.166 4.151 4.320 -0.005 0.000 0.205 758 K C 2.352 178.922 176.600 -0.049 0.000 1.051 758 K CA 1.364 57.620 56.287 -0.051 0.000 0.941 758 K CB -0.171 32.302 32.500 -0.044 0.000 0.719 758 K HN 0.529 nan 8.250 nan 0.000 0.440 759 Q N 1.155 120.912 119.800 -0.072 0.000 2.016 759 Q HA -0.168 4.169 4.340 -0.005 0.000 0.200 759 Q C 1.583 177.541 176.000 -0.071 0.000 0.978 759 Q CA 1.765 57.530 55.803 -0.064 0.000 0.833 759 Q CB 0.097 28.791 28.738 -0.073 0.000 0.895 759 Q HN 0.279 nan 8.270 nan 0.000 0.427 760 K N -1.447 118.861 120.400 -0.154 0.000 2.186 760 K HA 0.046 4.363 4.320 -0.005 0.000 0.202 760 K C 1.204 177.776 176.600 -0.047 0.000 1.052 760 K CA 0.713 56.876 56.287 -0.205 0.000 0.965 760 K CB 0.271 32.398 32.500 -0.623 0.000 0.746 760 K HN 0.489 nan 8.250 nan 0.000 0.457 761 G N 0.744 109.519 108.800 -0.041 0.000 2.179 761 G HA2 -0.247 3.710 3.960 -0.005 0.000 0.220 761 G HA3 -0.247 3.710 3.960 -0.005 0.000 0.220 761 G C -0.177 174.883 174.900 0.266 0.000 0.990 761 G CA 0.402 45.601 45.100 0.165 0.000 0.646 761 G HN 0.378 nan 8.290 nan 0.000 0.517 762 Y N -2.039 118.245 120.300 -0.027 0.000 2.725 762 Y HA 0.747 5.295 4.550 -0.004 0.000 0.333 762 Y C -0.349 175.473 175.900 -0.130 0.000 1.242 762 Y CA -1.265 56.739 58.100 -0.160 0.000 1.059 762 Y CB 0.814 38.979 38.460 -0.491 0.000 1.306 762 Y HN 0.991 nan 8.280 nan 0.000 0.454 763 V N -0.948 118.970 119.914 0.007 0.000 3.074 763 V HA 1.009 5.126 4.120 -0.005 0.000 0.314 763 V C -0.501 175.653 176.094 0.099 0.000 1.117 763 V CA -0.283 62.004 62.300 -0.022 0.000 1.014 763 V CB 1.326 33.136 31.823 -0.022 0.000 1.057 763 V HN 1.406 nan 8.190 nan 0.000 0.438 764 T N -1.035 113.573 114.554 0.090 0.000 2.901 764 T HA 0.791 5.138 4.350 -0.005 0.000 0.293 764 T C -0.048 174.697 174.700 0.076 0.000 1.084 764 T CA 0.008 62.173 62.100 0.109 0.000 1.008 764 T CB 1.687 70.666 68.868 0.185 0.000 1.170 764 T HN 1.494 nan 8.240 nan 0.000 0.509 765 T N -0.338 114.245 114.554 0.048 0.000 2.910 765 T HA 0.479 4.826 4.350 -0.005 0.000 0.279 765 T C 1.300 175.980 174.700 -0.032 0.000 0.989 765 T CA -0.851 61.255 62.100 0.010 0.000 0.968 765 T CB 0.839 69.697 68.868 -0.017 0.000 1.135 765 T HN 0.473 nan 8.240 nan 0.000 0.562 766 L N 0.106 121.289 121.223 -0.067 0.000 2.051 766 L HA 0.052 4.389 4.340 -0.005 0.000 0.214 766 L C 1.915 178.613 176.870 -0.287 0.000 1.076 766 L CA 1.772 56.536 54.840 -0.126 0.000 0.758 766 L CB -0.732 41.256 42.059 -0.118 0.000 0.890 766 L HN 0.686 nan 8.230 nan 0.000 0.433 767 L N -0.986 120.090 121.223 -0.246 0.000 2.685 767 L HA 0.121 4.458 4.340 -0.005 0.000 0.233 767 L C 0.148 176.861 176.870 -0.261 0.000 1.173 767 L CA -0.149 54.507 54.840 -0.307 0.000 0.961 767 L CB -0.502 41.475 42.059 -0.137 0.000 1.217 767 L HN 0.418 nan 8.230 nan 0.000 0.478 768 H N -1.252 117.816 119.070 -0.003 0.000 3.049 768 H HA -0.154 4.399 4.556 -0.005 0.000 0.250 768 H C 0.859 176.166 175.328 -0.034 0.000 1.219 768 H CA 0.409 56.453 56.048 -0.007 0.000 1.117 768 H CB -1.281 28.479 29.762 -0.004 0.000 1.251 768 H HN 0.425 nan 8.280 nan 0.000 0.338 769 R N 1.639 122.159 120.500 0.034 0.000 2.594 769 R HA 0.361 4.698 4.340 -0.005 0.000 0.272 769 R C 0.695 176.968 176.300 -0.046 0.000 1.074 769 R CA -0.166 55.916 56.100 -0.031 0.000 1.105 769 R CB 0.771 31.043 30.300 -0.047 0.000 1.008 769 R HN 0.469 nan 8.270 nan 0.000 0.472 770 R N 2.166 122.590 120.500 -0.126 0.000 2.837 770 R HA 0.513 4.850 4.340 -0.005 0.000 0.271 770 R C -1.291 174.874 176.300 -0.224 0.000 0.993 770 R CA -1.111 54.886 56.100 -0.173 0.000 0.931 770 R CB 1.691 31.783 30.300 -0.346 0.000 1.206 770 R HN 0.545 nan 8.270 nan 0.000 0.474 771 R N 2.175 122.553 120.500 -0.203 0.000 2.515 771 R HA 0.271 4.608 4.340 -0.005 0.000 0.291 771 R C -1.535 174.674 176.300 -0.152 0.000 1.046 771 R CA -0.671 55.340 56.100 -0.149 0.000 0.914 771 R CB 1.233 31.494 30.300 -0.066 0.000 1.191 771 R HN 0.670 nan 8.270 nan 0.000 0.435 772 Y N 4.133 124.452 120.300 0.030 0.000 2.359 772 Y HA 0.241 4.788 4.550 -0.004 0.000 0.330 772 Y C 0.398 176.309 175.900 0.018 0.000 1.143 772 Y CA -0.134 58.004 58.100 0.062 0.000 1.318 772 Y CB 1.071 39.544 38.460 0.021 0.000 1.234 772 Y HN 0.400 nan 8.280 nan 0.000 0.522 773 L N 6.515 127.833 121.223 0.157 0.000 2.556 773 L HA 0.255 4.593 4.340 -0.005 0.000 0.243 773 L C -1.670 175.229 176.870 0.049 0.000 1.331 773 L CA -1.377 53.493 54.840 0.050 0.000 0.927 773 L CB 1.036 43.093 42.059 -0.003 0.000 1.219 773 L HN 0.518 nan 8.230 nan 0.000 0.490 774 P HA -0.157 nan 4.420 nan 0.000 0.220 774 P C 0.456 177.761 177.300 0.008 0.000 1.148 774 P CA 1.110 64.230 63.100 0.034 0.000 0.803 774 P CB 0.409 32.123 31.700 0.024 0.000 0.782 775 D N -0.521 119.873 120.400 -0.011 0.000 2.378 775 D HA -0.039 4.599 4.640 -0.005 0.000 0.227 775 D C 1.703 177.992 176.300 -0.018 0.000 1.012 775 D CA 0.169 54.159 54.000 -0.017 0.000 0.905 775 D CB -0.573 40.206 40.800 -0.035 0.000 0.895 775 D HN 0.156 nan 8.370 nan 0.000 0.532 776 I N 0.963 121.522 120.570 -0.018 0.000 2.567 776 I HA -0.197 3.970 4.170 -0.005 0.000 0.257 776 I C 1.875 177.983 176.117 -0.015 0.000 1.184 776 I CA 1.264 62.550 61.300 -0.023 0.000 1.451 776 I CB -0.101 37.884 38.000 -0.025 0.000 1.089 776 I HN -0.020 nan 8.210 nan 0.000 0.441 777 T N -3.608 110.944 114.554 -0.004 0.000 3.054 777 T HA 0.189 4.536 4.350 -0.005 0.000 0.255 777 T C 0.982 175.688 174.700 0.010 0.000 1.035 777 T CA 0.188 62.289 62.100 0.003 0.000 0.941 777 T CB -0.468 68.404 68.868 0.006 0.000 1.026 777 T HN 0.217 nan 8.240 nan 0.000 0.533 778 S N 1.069 116.775 115.700 0.009 0.000 2.558 778 S HA 0.146 4.613 4.470 -0.005 0.000 0.291 778 S C 1.069 175.688 174.600 0.031 0.000 1.306 778 S CA -0.450 57.761 58.200 0.019 0.000 1.056 778 S CB 0.543 63.753 63.200 0.018 0.000 0.836 778 S HN 0.363 nan 8.310 nan 0.000 0.504 779 R N 2.433 122.958 120.500 0.040 0.000 2.310 779 R HA 0.237 4.575 4.340 -0.005 0.000 0.202 779 R C 0.330 176.679 176.300 0.081 0.000 0.933 779 R CA 0.057 56.191 56.100 0.057 0.000 1.054 779 R CB -0.241 30.088 30.300 0.048 0.000 0.985 779 R HN 0.542 nan 8.270 nan 0.000 0.489 780 N N 0.503 119.249 118.700 0.076 0.000 2.414 780 N HA -0.057 4.680 4.740 -0.005 0.000 0.256 780 N C 0.470 176.056 175.510 0.126 0.000 1.029 780 N CA -0.078 53.033 53.050 0.103 0.000 0.948 780 N CB 0.407 38.941 38.487 0.077 0.000 1.102 780 N HN -0.036 nan 8.380 nan 0.000 0.496 781 F N 5.476 125.455 119.950 0.048 0.000 2.063 781 F HA -0.298 4.227 4.527 -0.005 0.000 0.298 781 F C 1.589 177.436 175.800 0.078 0.000 1.109 781 F CA 2.032 60.068 58.000 0.061 0.000 1.212 781 F CB -0.242 38.795 39.000 0.062 0.000 0.973 781 F HN 0.635 nan 8.300 nan 0.000 0.480 782 N N -0.411 118.342 118.700 0.089 0.000 2.058 782 N HA -0.194 4.543 4.740 -0.005 0.000 0.191 782 N C 1.825 177.334 175.510 -0.001 0.000 1.037 782 N CA 1.696 54.752 53.050 0.009 0.000 0.848 782 N CB -0.361 38.186 38.487 0.101 0.000 1.021 782 N HN 0.156 nan 8.380 nan 0.000 0.422 783 V N 1.397 121.340 119.914 0.049 0.000 2.332 783 V HA -0.268 3.850 4.120 -0.005 0.000 0.248 783 V C 2.360 178.474 176.094 0.034 0.000 1.055 783 V CA 1.667 64.013 62.300 0.076 0.000 1.038 783 V CB -0.603 31.255 31.823 0.059 0.000 0.651 783 V HN 0.328 nan 8.190 nan 0.000 0.450 784 R N -0.014 120.467 120.500 -0.032 0.000 2.075 784 R HA -0.145 4.192 4.340 -0.005 0.000 0.232 784 R C 2.534 178.775 176.300 -0.098 0.000 1.126 784 R CA 1.831 57.893 56.100 -0.063 0.000 0.963 784 R CB -0.309 29.948 30.300 -0.072 0.000 0.858 784 R HN 0.520 nan 8.270 nan 0.000 0.435 785 S N 0.739 116.306 115.700 -0.221 0.000 2.359 785 S HA -0.165 4.302 4.470 -0.005 0.000 0.224 785 S C 1.515 176.133 174.600 0.031 0.000 1.035 785 S CA 1.273 59.346 58.200 -0.212 0.000 1.018 785 S CB -0.505 62.434 63.200 -0.435 0.000 0.876 785 S HN 0.348 nan 8.310 nan 0.000 0.448 786 F N 2.832 122.719 119.950 -0.104 0.000 2.091 786 F HA -0.154 4.370 4.527 -0.004 0.000 0.299 786 F C 2.474 178.252 175.800 -0.037 0.000 1.103 786 F CA 0.958 58.929 58.000 -0.047 0.000 1.228 786 F CB -1.332 37.650 39.000 -0.031 0.000 0.984 786 F HN 0.195 nan 8.300 nan 0.000 0.477 787 A N 0.039 122.884 122.820 0.042 0.000 1.972 787 A HA -0.204 4.113 4.320 -0.005 0.000 0.219 787 A C 2.119 179.685 177.584 -0.030 0.000 1.169 787 A CA 1.711 53.699 52.037 -0.083 0.000 0.635 787 A CB -0.783 18.173 19.000 -0.074 0.000 0.810 787 A HN 0.574 nan 8.150 nan 0.000 0.446 788 E N -0.515 119.683 120.200 -0.003 0.000 2.107 788 E HA -0.143 4.204 4.350 -0.005 0.000 0.191 788 E C 2.277 178.888 176.600 0.019 0.000 0.982 788 E CA 0.790 57.181 56.400 -0.015 0.000 0.809 788 E CB -0.169 29.512 29.700 -0.032 0.000 0.756 788 E HN 0.540 nan 8.360 nan 0.000 0.459 789 R N 0.362 120.914 120.500 0.086 0.000 2.075 789 R HA -0.019 4.318 4.340 -0.005 0.000 0.232 789 R C 2.375 178.741 176.300 0.111 0.000 1.126 789 R CA 1.139 57.314 56.100 0.126 0.000 0.963 789 R CB -0.221 30.204 30.300 0.207 0.000 0.858 789 R HN 0.203 nan 8.270 nan 0.000 0.435 790 M N 0.098 119.749 119.600 0.085 0.000 2.159 790 M HA -0.141 4.336 4.480 -0.005 0.000 0.263 790 M C 2.459 178.764 176.300 0.008 0.000 1.063 790 M CA 1.659 56.970 55.300 0.018 0.000 1.110 790 M CB -0.271 32.265 32.600 -0.106 0.000 1.374 790 M HN 0.232 nan 8.290 nan 0.000 0.411 791 A N 0.145 122.959 122.820 -0.011 0.000 1.933 791 A HA -0.155 4.162 4.320 -0.005 0.000 0.218 791 A C 2.068 179.640 177.584 -0.020 0.000 1.175 791 A CA 1.517 53.534 52.037 -0.033 0.000 0.628 791 A CB -0.491 18.468 19.000 -0.068 0.000 0.814 791 A HN 0.470 nan 8.150 nan 0.000 0.444 792 M N -0.916 118.684 119.600 0.000 0.000 2.160 792 M HA -0.074 4.403 4.480 -0.005 0.000 0.264 792 M C 2.239 178.625 176.300 0.143 0.000 1.073 792 M CA 1.526 56.852 55.300 0.044 0.000 1.142 792 M CB -0.422 32.209 32.600 0.052 0.000 1.358 792 M HN 0.589 nan 8.290 nan 0.000 0.422 793 N N -0.155 118.615 118.700 0.116 0.000 2.207 793 N HA -0.111 4.626 4.740 -0.005 0.000 0.182 793 N C 1.415 176.983 175.510 0.097 0.000 1.020 793 N CA 1.588 54.712 53.050 0.124 0.000 0.858 793 N CB 0.064 38.639 38.487 0.146 0.000 0.991 793 N HN 0.207 nan 8.380 nan 0.000 0.427 794 T N 1.703 116.299 114.554 0.070 0.000 2.665 794 T HA -0.076 4.272 4.350 -0.005 0.000 0.268 794 T C -0.979 173.752 174.700 0.052 0.000 1.035 794 T CA 1.391 63.518 62.100 0.046 0.000 1.151 794 T CB -1.046 67.834 68.868 0.019 0.000 0.862 794 T HN 0.389 nan 8.240 nan 0.000 0.438 795 P HA 0.055 nan 4.420 nan 0.000 0.220 795 P C 1.244 178.574 177.300 0.050 0.000 1.148 795 P CA 0.831 63.982 63.100 0.084 0.000 0.803 795 P CB -0.115 31.689 31.700 0.174 0.000 0.782 796 I N -1.218 119.387 120.570 0.059 0.000 2.270 796 I HA -0.180 3.987 4.170 -0.005 0.000 0.239 796 I C 2.661 178.780 176.117 0.004 0.000 1.080 796 I CA 1.194 62.504 61.300 0.016 0.000 1.383 796 I CB -0.678 37.340 38.000 0.030 0.000 1.097 796 I HN -0.091 nan 8.210 nan 0.000 0.420 797 Q N 1.031 120.849 119.800 0.030 0.000 2.084 797 Q HA -0.171 4.166 4.340 -0.005 0.000 0.202 797 Q C 2.204 178.210 176.000 0.010 0.000 0.978 797 Q CA 1.967 57.785 55.803 0.025 0.000 0.844 797 Q CB -0.273 28.489 28.738 0.039 0.000 0.898 797 Q HN 0.584 nan 8.270 nan 0.000 0.426 798 G N -0.383 108.424 108.800 0.012 0.000 2.418 798 G HA2 -0.235 3.722 3.960 -0.005 0.000 0.217 798 G HA3 -0.235 3.722 3.960 -0.005 0.000 0.217 798 G C 1.483 176.373 174.900 -0.016 0.000 1.158 798 G CA 0.950 46.052 45.100 0.004 0.000 0.771 798 G HN 0.332 nan 8.290 nan 0.000 0.545 799 S N 0.923 116.606 115.700 -0.029 0.000 2.402 799 S HA 0.053 4.520 4.470 -0.005 0.000 0.229 799 S C 2.714 177.258 174.600 -0.094 0.000 1.021 799 S CA 1.027 59.189 58.200 -0.063 0.000 0.974 799 S CB -0.247 62.913 63.200 -0.066 0.000 0.800 799 S HN 0.575 nan 8.310 nan 0.000 0.484 800 A N 1.316 124.084 122.820 -0.088 0.000 1.969 800 A HA 0.205 4.522 4.320 -0.005 0.000 0.218 800 A C 2.272 179.806 177.584 -0.083 0.000 1.169 800 A CA 1.472 53.432 52.037 -0.127 0.000 0.635 800 A CB -0.784 18.160 19.000 -0.094 0.000 0.810 800 A HN 0.496 nan 8.150 nan 0.000 0.445 801 A N 0.145 122.949 122.820 -0.026 0.000 1.897 801 A HA -0.112 4.205 4.320 -0.005 0.000 0.215 801 A C 1.748 179.329 177.584 -0.005 0.000 1.181 801 A CA 1.662 53.708 52.037 0.014 0.000 0.620 801 A CB -0.484 18.544 19.000 0.045 0.000 0.821 801 A HN 0.423 nan 8.150 nan 0.000 0.443 802 D N 0.346 120.729 120.400 -0.029 0.000 2.104 802 D HA -0.154 4.483 4.640 -0.005 0.000 0.194 802 D C 1.861 178.130 176.300 -0.051 0.000 0.994 802 D CA 1.343 55.320 54.000 -0.038 0.000 0.830 802 D CB -0.394 40.368 40.800 -0.063 0.000 0.959 802 D HN 0.525 nan 8.370 nan 0.000 0.452 803 I N 0.728 121.244 120.570 -0.091 0.000 2.099 803 I HA -0.227 3.940 4.170 -0.005 0.000 0.239 803 I C 2.597 178.695 176.117 -0.032 0.000 1.066 803 I CA 0.776 62.010 61.300 -0.110 0.000 1.324 803 I CB -0.177 37.677 38.000 -0.244 0.000 1.037 803 I HN -0.042 nan 8.210 nan 0.000 0.401 804 I N 0.736 121.300 120.570 -0.010 0.000 2.361 804 I HA -0.296 3.871 4.170 -0.005 0.000 0.251 804 I C 2.439 178.602 176.117 0.076 0.000 1.133 804 I CA 1.547 62.934 61.300 0.145 0.000 1.413 804 I CB -0.114 38.008 38.000 0.202 0.000 1.073 804 I HN 0.174 nan 8.210 nan 0.000 0.424 805 K N 0.571 120.988 120.400 0.028 0.000 2.057 805 K HA -0.242 4.075 4.320 -0.005 0.000 0.206 805 K C 2.122 178.724 176.600 0.003 0.000 1.050 805 K CA 1.576 57.867 56.287 0.006 0.000 0.935 805 K CB -0.116 32.386 32.500 0.003 0.000 0.715 805 K HN 0.122 nan 8.250 nan 0.000 0.439 806 K N 1.311 121.712 120.400 0.003 0.000 2.097 806 K HA -0.070 4.248 4.320 -0.005 0.000 0.205 806 K C 1.833 178.440 176.600 0.012 0.000 1.050 806 K CA 1.394 57.680 56.287 -0.002 0.000 0.938 806 K CB -0.208 32.283 32.500 -0.015 0.000 0.718 806 K HN 0.098 nan 8.250 nan 0.000 0.442 807 A N 0.726 123.571 122.820 0.042 0.000 1.902 807 A HA -0.129 4.189 4.320 -0.005 0.000 0.217 807 A C 2.191 179.788 177.584 0.021 0.000 1.181 807 A CA 1.873 53.944 52.037 0.056 0.000 0.623 807 A CB -0.530 18.555 19.000 0.142 0.000 0.818 807 A HN 0.423 nan 8.150 nan 0.000 0.443 808 M N -0.719 118.890 119.600 0.015 0.000 2.117 808 M HA -0.094 4.383 4.480 -0.005 0.000 0.262 808 M C 2.080 178.370 176.300 -0.016 0.000 1.065 808 M CA 1.548 56.842 55.300 -0.009 0.000 1.114 808 M CB -0.517 32.068 32.600 -0.026 0.000 1.361 808 M HN 0.400 nan 8.290 nan 0.000 0.408 809 I N 0.221 120.783 120.570 -0.014 0.000 2.142 809 I HA -0.319 3.848 4.170 -0.005 0.000 0.240 809 I C 1.923 178.029 176.117 -0.018 0.000 1.078 809 I CA 1.263 62.552 61.300 -0.017 0.000 1.343 809 I CB -0.654 37.337 38.000 -0.016 0.000 1.046 809 I HN 0.259 nan 8.210 nan 0.000 0.405 810 D N 0.742 121.133 120.400 -0.015 0.000 2.123 810 D HA -0.191 4.446 4.640 -0.005 0.000 0.196 810 D C 2.009 178.292 176.300 -0.028 0.000 0.992 810 D CA 1.177 55.166 54.000 -0.019 0.000 0.833 810 D CB -0.416 40.375 40.800 -0.014 0.000 0.954 810 D HN 0.185 nan 8.370 nan 0.000 0.455 811 L N 1.107 122.313 121.223 -0.029 0.000 2.046 811 L HA -0.136 4.201 4.340 -0.005 0.000 0.208 811 L C 1.531 178.374 176.870 -0.045 0.000 1.077 811 L CA 1.713 56.526 54.840 -0.044 0.000 0.747 811 L CB -0.694 41.339 42.059 -0.044 0.000 0.896 811 L HN -0.137 nan 8.230 nan 0.000 0.432 812 N N -0.232 118.449 118.700 -0.031 0.000 2.244 812 N HA -0.067 4.670 4.740 -0.005 0.000 0.183 812 N C 1.785 177.278 175.510 -0.029 0.000 1.016 812 N CA 1.296 54.331 53.050 -0.025 0.000 0.866 812 N CB -0.307 38.170 38.487 -0.016 0.000 0.980 812 N HN 0.545 nan 8.380 nan 0.000 0.430 813 A N 0.805 123.607 122.820 -0.030 0.000 1.898 813 A HA -0.063 4.255 4.320 -0.005 0.000 0.216 813 A C 2.178 179.739 177.584 -0.039 0.000 1.181 813 A CA 0.956 52.974 52.037 -0.031 0.000 0.620 813 A CB -0.215 18.768 19.000 -0.028 0.000 0.819 813 A HN 0.114 nan 8.150 nan 0.000 0.442 814 R N -0.415 120.057 120.500 -0.047 0.000 2.073 814 R HA -0.049 4.289 4.340 -0.005 0.000 0.234 814 R C 2.123 178.382 176.300 -0.069 0.000 1.134 814 R CA 1.295 57.360 56.100 -0.059 0.000 0.952 814 R CB -0.828 29.430 30.300 -0.069 0.000 0.850 814 R HN 0.564 nan 8.270 nan 0.000 0.433 815 L N 0.771 121.951 121.223 -0.072 0.000 2.042 815 L HA -0.220 4.117 4.340 -0.005 0.000 0.210 815 L C 2.744 179.577 176.870 -0.062 0.000 1.076 815 L CA 1.559 56.351 54.840 -0.080 0.000 0.749 815 L CB -0.472 41.545 42.059 -0.070 0.000 0.893 815 L HN 0.197 nan 8.230 nan 0.000 0.432 816 K N 0.389 120.763 120.400 -0.043 0.000 2.057 816 K HA -0.206 4.111 4.320 -0.005 0.000 0.207 816 K C 1.958 178.535 176.600 -0.039 0.000 1.049 816 K CA 1.502 57.769 56.287 -0.033 0.000 0.931 816 K CB 0.025 32.510 32.500 -0.025 0.000 0.714 816 K HN 0.290 nan 8.250 nan 0.000 0.440 817 E N 0.197 120.372 120.200 -0.042 0.000 2.085 817 E HA -0.174 4.173 4.350 -0.005 0.000 0.194 817 E C 1.663 178.234 176.600 -0.049 0.000 0.994 817 E CA 1.121 57.496 56.400 -0.042 0.000 0.801 817 E CB 0.125 29.799 29.700 -0.043 0.000 0.743 817 E HN 0.269 nan 8.360 nan 0.000 0.453 818 E N 0.165 120.329 120.200 -0.061 0.000 2.502 818 E HA -0.028 4.319 4.350 -0.005 0.000 0.194 818 E C 0.111 176.668 176.600 -0.072 0.000 1.062 818 E CA 0.152 56.509 56.400 -0.072 0.000 0.867 818 E CB 0.218 29.863 29.700 -0.092 0.000 0.888 818 E HN 0.038 nan 8.360 nan 0.000 0.510 819 R N -0.561 119.902 120.500 -0.062 0.000 3.651 819 R HA -0.162 4.175 4.340 -0.005 0.000 0.292 819 R C -0.397 175.858 176.300 -0.075 0.000 1.161 819 R CA 0.253 56.320 56.100 -0.055 0.000 0.787 819 R CB -2.643 27.629 30.300 -0.047 0.000 1.249 819 R HN 0.150 nan 8.270 nan 0.000 0.476 820 L N 0.003 121.168 121.223 -0.098 0.000 2.418 820 L HA 0.129 4.466 4.340 -0.005 0.000 0.265 820 L C 1.777 178.568 176.870 -0.131 0.000 1.143 820 L CA -0.093 54.661 54.840 -0.143 0.000 0.809 820 L CB 0.696 42.645 42.059 -0.184 0.000 1.124 820 L HN 0.229 nan 8.230 nan 0.000 0.456 821 Q N 1.490 121.176 119.800 -0.191 0.000 2.424 821 Q HA 0.155 4.492 4.340 -0.005 0.000 0.204 821 Q C 0.516 176.361 176.000 -0.258 0.000 0.933 821 Q CA -0.106 55.605 55.803 -0.154 0.000 0.929 821 Q CB 0.379 29.023 28.738 -0.157 0.000 1.037 821 Q HN 0.770 nan 8.270 nan 0.000 0.511 822 A N 2.283 124.890 122.820 -0.355 0.000 2.531 822 A HA 0.085 4.402 4.320 -0.005 0.000 0.236 822 A C -0.157 177.349 177.584 -0.130 0.000 1.062 822 A CA 0.248 52.069 52.037 -0.361 0.000 0.760 822 A CB -0.166 18.628 19.000 -0.344 0.000 0.995 822 A HN 0.448 nan 8.150 nan 0.000 0.501 823 H N -0.171 118.898 119.070 -0.002 0.000 3.016 823 H HA 0.575 5.128 4.556 -0.004 0.000 0.362 823 H C -1.373 173.974 175.328 0.032 0.000 1.233 823 H CA -1.310 54.756 56.048 0.029 0.000 1.124 823 H CB 0.747 30.559 29.762 0.083 0.000 1.850 823 H HN 0.491 nan 8.280 nan 0.000 0.549 824 L N 2.051 123.397 121.223 0.206 0.000 2.426 824 L HA 0.029 4.367 4.340 -0.005 0.000 0.271 824 L C 0.801 177.736 176.870 0.108 0.000 1.169 824 L CA -0.139 54.771 54.840 0.117 0.000 0.836 824 L CB 0.701 42.785 42.059 0.041 0.000 1.112 824 L HN 0.609 nan 8.230 nan 0.000 0.465 825 L N 3.335 124.611 121.223 0.089 0.000 2.600 825 L HA 0.354 4.691 4.340 -0.005 0.000 0.213 825 L C -0.064 176.854 176.870 0.080 0.000 1.045 825 L CA 0.233 55.106 54.840 0.056 0.000 0.863 825 L CB 0.514 42.588 42.059 0.025 0.000 1.189 825 L HN 0.429 nan 8.230 nan 0.000 0.484 826 L N -0.722 120.522 121.223 0.035 0.000 2.469 826 L HA 0.455 4.792 4.340 -0.005 0.000 0.256 826 L C -1.206 175.668 176.870 0.006 0.000 1.006 826 L CA -0.531 54.370 54.840 0.102 0.000 0.832 826 L CB 2.409 44.460 42.059 -0.012 0.000 1.421 826 L HN -0.113 nan 8.230 nan 0.000 0.410 827 Q N 1.320 121.107 119.800 -0.021 0.000 2.323 827 Q HA 0.536 4.873 4.340 -0.005 0.000 0.271 827 Q C -1.925 174.046 176.000 -0.048 0.000 1.048 827 Q CA -0.466 55.289 55.803 -0.080 0.000 0.792 827 Q CB 2.796 31.406 28.738 -0.213 0.000 1.280 827 Q HN 0.508 nan 8.270 nan 0.000 0.441 828 V N 6.312 126.198 119.914 -0.047 0.000 2.361 828 V HA 0.232 4.349 4.120 -0.005 0.000 0.252 828 V C 0.187 176.180 176.094 -0.168 0.000 0.986 828 V CA -0.361 61.829 62.300 -0.184 0.000 1.033 828 V CB -0.043 31.792 31.823 0.020 0.000 1.282 828 V HN 0.944 nan 8.190 nan 0.000 0.514 829 H N 1.859 121.004 119.070 0.126 0.000 5.079 829 H HA -0.224 4.329 4.556 -0.005 0.000 0.060 829 H C 1.237 176.643 175.328 0.130 0.000 0.559 829 H CA 2.318 58.436 56.048 0.116 0.000 0.996 829 H CB -0.875 28.961 29.762 0.123 0.000 0.490 829 H HN 0.839 nan 8.280 nan 0.000 0.776 830 D N 1.612 122.175 120.400 0.271 0.000 2.599 830 D HA 0.202 4.839 4.640 -0.005 0.000 0.249 830 D C 0.278 176.749 176.300 0.284 0.000 1.313 830 D CA 0.505 54.684 54.000 0.299 0.000 0.815 830 D CB 0.427 41.387 40.800 0.266 0.000 1.077 830 D HN 0.763 nan 8.370 nan 0.000 0.492 831 E N 0.022 120.331 120.200 0.183 0.000 2.390 831 E HA 0.550 4.897 4.350 -0.005 0.000 0.277 831 E C -1.459 175.189 176.600 0.081 0.000 0.939 831 E CA -1.046 55.425 56.400 0.117 0.000 0.769 831 E CB 1.702 31.481 29.700 0.132 0.000 1.251 831 E HN -0.030 nan 8.360 nan 0.000 0.450 832 L N 2.347 123.605 121.223 0.058 0.000 2.346 832 L HA 0.556 4.894 4.340 -0.005 0.000 0.276 832 L C -0.681 176.234 176.870 0.075 0.000 1.006 832 L CA -1.334 53.535 54.840 0.048 0.000 0.817 832 L CB 1.564 43.642 42.059 0.033 0.000 1.272 832 L HN 0.545 nan 8.230 nan 0.000 0.421 833 I N 4.164 124.754 120.570 0.033 0.000 2.406 833 I HA 0.517 4.684 4.170 -0.005 0.000 0.290 833 I C -0.321 175.822 176.117 0.044 0.000 0.999 833 I CA -0.401 60.901 61.300 0.003 0.000 1.124 833 I CB 1.570 39.442 38.000 -0.214 0.000 1.289 833 I HN 0.384 nan 8.210 nan 0.000 0.441 834 L N 5.572 126.871 121.223 0.127 0.000 2.283 834 L HA 0.630 4.967 4.340 -0.005 0.000 0.259 834 L C -0.037 176.924 176.870 0.152 0.000 1.027 834 L CA -0.588 54.335 54.840 0.138 0.000 0.828 834 L CB 1.627 43.739 42.059 0.087 0.000 1.380 834 L HN 0.659 nan 8.230 nan 0.000 0.425 835 E N 0.334 120.617 120.200 0.138 0.000 2.340 835 E HA 0.940 5.287 4.350 -0.005 0.000 0.273 835 E C -1.504 175.057 176.600 -0.064 0.000 0.891 835 E CA -1.088 55.404 56.400 0.153 0.000 0.757 835 E CB 2.638 32.517 29.700 0.299 0.000 1.231 835 E HN 0.763 nan 8.360 nan 0.000 0.439 836 A N 2.091 124.784 122.820 -0.212 0.000 2.566 836 A HA 0.594 4.911 4.320 -0.005 0.000 0.290 836 A C -2.990 173.906 177.584 -1.147 0.000 1.071 836 A CA -1.369 50.108 52.037 -0.935 0.000 0.658 836 A CB 1.097 19.720 19.000 -0.628 0.000 1.285 836 A HN 0.503 nan 8.150 nan 0.000 0.427 837 P HA 0.107 nan 4.420 nan 0.000 0.267 837 P C 0.483 177.493 177.300 -0.485 0.000 1.200 837 P CA 0.075 62.529 63.100 -1.076 0.000 0.772 837 P CB 0.546 31.785 31.700 -0.767 0.000 0.855 838 K N 2.028 122.285 120.400 -0.238 0.000 2.211 838 K HA -0.204 4.113 4.320 -0.005 0.000 0.204 838 K C 0.769 177.263 176.600 -0.176 0.000 1.047 838 K CA 1.747 57.949 56.287 -0.142 0.000 0.935 838 K CB -0.431 32.055 32.500 -0.023 0.000 0.728 838 K HN 0.267 nan 8.250 nan 0.000 0.452 839 E N 1.272 121.364 120.200 -0.181 0.000 2.472 839 E HA -0.081 4.266 4.350 -0.005 0.000 0.200 839 E C 0.834 177.312 176.600 -0.204 0.000 1.046 839 E CA 0.844 57.149 56.400 -0.159 0.000 0.871 839 E CB 0.146 29.769 29.700 -0.128 0.000 0.806 839 E HN 0.511 nan 8.360 nan 0.000 0.533 840 E N -0.544 119.487 120.200 -0.282 0.000 2.481 840 E HA 0.077 4.424 4.350 -0.005 0.000 0.198 840 E C 1.214 177.611 176.600 -0.339 0.000 1.027 840 E CA -0.179 56.037 56.400 -0.307 0.000 0.900 840 E CB 0.219 29.695 29.700 -0.374 0.000 0.993 840 E HN 0.195 nan 8.360 nan 0.000 0.482 841 M N 0.840 120.228 119.600 -0.353 0.000 2.065 841 M HA -0.179 4.299 4.480 -0.005 0.000 0.259 841 M C 1.867 177.984 176.300 -0.305 0.000 1.069 841 M CA 1.696 56.728 55.300 -0.446 0.000 1.110 841 M CB -0.901 31.244 32.600 -0.758 0.000 1.328 841 M HN 0.141 nan 8.290 nan 0.000 0.405 842 E N -0.360 119.718 120.200 -0.203 0.000 2.085 842 E HA -0.204 4.143 4.350 -0.005 0.000 0.194 842 E C 2.231 178.748 176.600 -0.139 0.000 0.994 842 E CA 1.055 57.391 56.400 -0.106 0.000 0.801 842 E CB -0.211 29.451 29.700 -0.065 0.000 0.743 842 E HN 0.495 nan 8.360 nan 0.000 0.453 843 R N 0.139 120.528 120.500 -0.184 0.000 2.092 843 R HA -0.102 4.236 4.340 -0.005 0.000 0.231 843 R C 2.310 178.446 176.300 -0.272 0.000 1.119 843 R CA 0.643 56.625 56.100 -0.196 0.000 0.970 843 R CB -0.211 29.974 30.300 -0.192 0.000 0.864 843 R HN 0.103 nan 8.270 nan 0.000 0.440 844 L N 0.377 121.367 121.223 -0.388 0.000 2.083 844 L HA -0.173 4.164 4.340 -0.005 0.000 0.209 844 L C 2.290 178.824 176.870 -0.561 0.000 1.083 844 L CA 1.357 55.820 54.840 -0.628 0.000 0.752 844 L CB -0.758 40.684 42.059 -1.030 0.000 0.899 844 L HN 0.236 nan 8.230 nan 0.000 0.433 845 C N -1.023 118.102 119.300 -0.292 0.000 2.410 845 C HA -0.154 4.303 4.460 -0.005 0.000 0.281 845 C C 2.829 177.568 174.990 -0.419 0.000 1.318 845 C CA 0.719 59.578 59.018 -0.265 0.000 1.776 845 C CB -0.893 26.863 27.740 0.026 0.000 1.942 845 C HN 0.468 nan 8.230 nan 0.000 0.508 846 R N -0.914 119.432 120.500 -0.258 0.000 2.123 846 R HA 0.099 4.436 4.340 -0.005 0.000 0.209 846 R C 2.022 178.208 176.300 -0.191 0.000 1.078 846 R CA 0.413 56.399 56.100 -0.190 0.000 1.028 846 R CB -0.421 29.808 30.300 -0.119 0.000 0.939 846 R HN 0.325 nan 8.270 nan 0.000 0.463 847 L N 0.823 121.917 121.223 -0.215 0.000 2.044 847 L HA -0.065 4.272 4.340 -0.005 0.000 0.205 847 L C 1.954 178.710 176.870 -0.191 0.000 1.075 847 L CA 1.562 56.288 54.840 -0.190 0.000 0.747 847 L CB -0.315 41.623 42.059 -0.201 0.000 0.903 847 L HN -0.118 nan 8.230 nan 0.000 0.435 848 V N 0.678 120.441 119.914 -0.251 0.000 2.255 848 V HA -0.197 3.920 4.120 -0.005 0.000 0.247 848 V C -0.028 175.992 176.094 -0.122 0.000 1.051 848 V CA 2.347 64.539 62.300 -0.181 0.000 1.018 848 V CB -1.944 29.780 31.823 -0.165 0.000 0.641 848 V HN 0.352 nan 8.190 nan 0.000 0.445 849 P HA -0.172 nan 4.420 nan 0.000 0.215 849 P C 1.651 178.906 177.300 -0.075 0.000 1.153 849 P CA 1.572 64.612 63.100 -0.100 0.000 0.853 849 P CB 0.067 31.701 31.700 -0.110 0.000 0.788 850 E N -0.162 119.990 120.200 -0.080 0.000 2.058 850 E HA -0.151 4.196 4.350 -0.005 0.000 0.194 850 E C 1.835 178.411 176.600 -0.040 0.000 0.997 850 E CA 1.374 57.743 56.400 -0.051 0.000 0.801 850 E CB -1.247 28.417 29.700 -0.060 0.000 0.746 850 E HN -0.095 nan 8.360 nan 0.000 0.450 851 V N 0.619 120.500 119.914 -0.056 0.000 2.343 851 V HA -0.298 3.819 4.120 -0.005 0.000 0.247 851 V C 2.489 178.578 176.094 -0.009 0.000 1.051 851 V CA 2.234 64.511 62.300 -0.038 0.000 1.036 851 V CB -0.533 31.257 31.823 -0.054 0.000 0.654 851 V HN 0.362 nan 8.190 nan 0.000 0.451 852 M N -0.673 118.910 119.600 -0.029 0.000 2.175 852 M HA -0.165 4.312 4.480 -0.005 0.000 0.264 852 M C 2.156 178.540 176.300 0.141 0.000 1.063 852 M CA 1.744 57.046 55.300 0.004 0.000 1.119 852 M CB -0.441 31.995 32.600 -0.272 0.000 1.377 852 M HN 0.365 nan 8.290 nan 0.000 0.415 853 E N -0.199 120.042 120.200 0.068 0.000 2.208 853 E HA -0.131 4.217 4.350 -0.005 0.000 0.193 853 E C 1.596 178.237 176.600 0.067 0.000 0.988 853 E CA 0.631 57.096 56.400 0.107 0.000 0.828 853 E CB 0.124 29.856 29.700 0.053 0.000 0.763 853 E HN 0.445 nan 8.360 nan 0.000 0.478 854 Q N -0.533 119.289 119.800 0.037 0.000 2.280 854 Q HA 0.215 4.552 4.340 -0.005 0.000 0.201 854 Q C 1.614 177.619 176.000 0.008 0.000 0.890 854 Q CA 0.196 56.007 55.803 0.013 0.000 0.947 854 Q CB 0.775 29.512 28.738 -0.001 0.000 1.081 854 Q HN 0.188 nan 8.270 nan 0.000 0.502 855 A N 0.992 123.830 122.820 0.030 0.000 1.917 855 A HA -0.053 4.264 4.320 -0.005 0.000 0.219 855 A C 1.323 178.895 177.584 -0.020 0.000 1.182 855 A CA 1.863 53.909 52.037 0.016 0.000 0.633 855 A CB -0.176 18.856 19.000 0.053 0.000 0.819 855 A HN 0.244 nan 8.150 nan 0.000 0.448 856 V N -5.440 114.450 119.914 -0.040 0.000 3.160 856 V HA 0.741 4.858 4.120 -0.005 0.000 0.310 856 V C -0.690 175.356 176.094 -0.080 0.000 1.181 856 V CA -0.511 61.743 62.300 -0.076 0.000 1.047 856 V CB 1.719 33.465 31.823 -0.127 0.000 1.068 856 V HN 0.021 nan 8.190 nan 0.000 0.441 857 T N 3.661 118.161 114.554 -0.089 0.000 2.809 857 T HA 0.715 5.062 4.350 -0.005 0.000 0.296 857 T C -0.322 174.305 174.700 -0.121 0.000 1.015 857 T CA -0.202 61.854 62.100 -0.074 0.000 0.954 857 T CB 0.636 69.484 68.868 -0.032 0.000 0.950 857 T HN 0.646 nan 8.240 nan 0.000 0.450 858 L N 2.043 123.175 121.223 -0.152 0.000 2.347 858 L HA 0.572 4.909 4.340 -0.005 0.000 0.268 858 L C 1.708 178.619 176.870 0.068 0.000 1.019 858 L CA -1.229 53.475 54.840 -0.225 0.000 0.806 858 L CB 1.062 42.885 42.059 -0.394 0.000 1.339 858 L HN 0.488 nan 8.230 nan 0.000 0.463 859 R N -0.103 120.603 120.500 0.343 0.000 2.316 859 R HA 0.025 4.362 4.340 -0.005 0.000 0.202 859 R C -0.192 176.176 176.300 0.115 0.000 1.029 859 R CA 0.378 56.595 56.100 0.196 0.000 1.018 859 R CB -0.167 30.225 30.300 0.154 0.000 0.888 859 R HN 0.509 nan 8.270 nan 0.000 0.471 860 V N -2.936 117.030 119.914 0.087 0.000 3.040 860 V HA 0.573 4.690 4.120 -0.005 0.000 0.312 860 V C -2.835 173.264 176.094 0.008 0.000 1.115 860 V CA -3.214 59.122 62.300 0.060 0.000 0.998 860 V CB 2.275 34.146 31.823 0.080 0.000 1.042 860 V HN -0.204 nan 8.190 nan 0.000 0.433 861 P HA 0.448 nan 4.420 nan 0.000 0.272 861 P C -0.928 176.354 177.300 -0.030 0.000 1.240 861 P CA -0.274 62.831 63.100 0.008 0.000 0.791 861 P CB 0.463 32.186 31.700 0.037 0.000 0.978 862 L N 1.363 122.583 121.223 -0.005 0.000 2.329 862 L HA 0.506 4.844 4.340 -0.005 0.000 0.279 862 L C 0.374 177.289 176.870 0.075 0.000 1.014 862 L CA -0.643 54.209 54.840 0.020 0.000 0.814 862 L CB 1.520 43.619 42.059 0.067 0.000 1.257 862 L HN 0.293 nan 8.230 nan 0.000 0.424 863 K N 2.347 122.805 120.400 0.098 0.000 2.324 863 K HA 0.684 5.001 4.320 -0.005 0.000 0.253 863 K C -1.721 174.941 176.600 0.103 0.000 0.932 863 K CA -0.569 55.772 56.287 0.090 0.000 0.799 863 K CB 2.219 34.764 32.500 0.074 0.000 1.154 863 K HN 0.323 nan 8.250 nan 0.000 0.425 864 V N 3.884 123.830 119.914 0.053 0.000 2.483 864 V HA 0.261 4.378 4.120 -0.005 0.000 0.297 864 V C -0.793 175.340 176.094 0.065 0.000 1.027 864 V CA -0.985 61.310 62.300 -0.009 0.000 0.855 864 V CB 1.690 33.440 31.823 -0.121 0.000 0.995 864 V HN 0.824 nan 8.190 nan 0.000 0.424 865 D N 3.409 123.820 120.400 0.019 0.000 2.277 865 D HA 0.612 5.249 4.640 -0.005 0.000 0.250 865 D C -0.818 175.419 176.300 -0.104 0.000 1.032 865 D CA 0.174 54.122 54.000 -0.087 0.000 0.947 865 D CB 2.161 42.905 40.800 -0.093 0.000 1.159 865 D HN 0.614 nan 8.370 nan 0.000 0.460 866 Y N -2.159 117.850 120.300 -0.485 0.000 2.571 866 Y HA 0.608 5.155 4.550 -0.005 0.000 0.341 866 Y C -0.901 174.404 175.900 -0.992 0.000 1.076 866 Y CA -0.961 56.787 58.100 -0.587 0.000 1.029 866 Y CB 1.648 39.893 38.460 -0.359 0.000 1.308 866 Y HN 0.295 nan 8.280 nan 0.000 0.461 867 H N 0.854 119.749 119.070 -0.292 0.000 3.037 867 H HA 0.452 5.006 4.556 -0.005 0.000 0.355 867 H C -1.816 173.365 175.328 -0.244 0.000 1.263 867 H CA -0.947 54.938 56.048 -0.271 0.000 1.129 867 H CB 2.697 32.322 29.762 -0.229 0.000 1.861 867 H HN 0.894 nan 8.280 nan 0.000 0.546 868 Y N -1.281 119.004 120.300 -0.025 0.000 2.597 868 Y HA 0.733 5.280 4.550 -0.005 0.000 0.340 868 Y C -0.460 175.497 175.900 0.095 0.000 1.097 868 Y CA -0.714 57.403 58.100 0.029 0.000 1.037 868 Y CB 1.695 40.233 38.460 0.130 0.000 1.305 868 Y HN 0.965 nan 8.280 nan 0.000 0.463 869 G N -0.084 108.901 108.800 0.308 0.000 2.489 869 G HA2 0.376 4.333 3.960 -0.005 0.000 0.305 869 G HA3 0.376 4.333 3.960 -0.005 0.000 0.305 869 G C -0.279 174.767 174.900 0.244 0.000 1.311 869 G CA -0.479 44.751 45.100 0.216 0.000 0.813 869 G HN 1.222 nan 8.290 nan 0.000 0.480 870 S N -1.599 114.218 115.700 0.196 0.000 2.453 870 S HA 0.222 4.689 4.470 -0.005 0.000 0.231 870 S C 1.173 175.890 174.600 0.195 0.000 1.005 870 S CA 1.748 60.057 58.200 0.182 0.000 0.949 870 S CB -0.422 62.862 63.200 0.140 0.000 0.774 870 S HN 1.777 nan 8.310 nan 0.000 0.510 871 T N -4.651 110.041 114.554 0.229 0.000 2.841 871 T HA 0.404 4.751 4.350 -0.005 0.000 0.296 871 T C -0.094 174.832 174.700 0.375 0.000 1.166 871 T CA -0.699 61.571 62.100 0.282 0.000 1.007 871 T CB 0.558 69.580 68.868 0.256 0.000 1.253 871 T HN 0.162 nan 8.240 nan 0.000 0.511 872 W N 0.494 121.915 121.300 0.202 0.000 2.363 872 W HA -0.087 4.570 4.660 -0.005 0.000 0.296 872 W C 1.871 178.464 176.519 0.124 0.000 1.212 872 W CA 0.973 58.407 57.345 0.148 0.000 1.260 872 W CB -1.101 28.432 29.460 0.123 0.000 1.131 872 W HN 0.894 nan 8.180 nan 0.000 0.530 873 Y N 1.646 122.041 120.300 0.158 0.000 2.181 873 Y HA -0.241 4.306 4.550 -0.005 0.000 0.288 873 Y C 2.125 178.021 175.900 -0.007 0.000 1.146 873 Y CA 2.613 60.697 58.100 -0.026 0.000 1.164 873 Y CB -0.649 37.801 38.460 -0.015 0.000 0.982 873 Y HN -0.160 nan 8.280 nan 0.000 0.515 874 D N 0.370 120.936 120.400 0.277 0.000 2.312 874 D HA -0.024 4.613 4.640 -0.005 0.000 0.211 874 D C 1.166 177.480 176.300 0.024 0.000 0.964 874 D CA 1.012 55.093 54.000 0.135 0.000 0.877 874 D CB -0.304 40.604 40.800 0.180 0.000 0.924 874 D HN 0.386 nan 8.370 nan 0.000 0.515 875 A N 1.634 124.513 122.820 0.098 0.000 2.711 875 A HA 0.060 4.378 4.320 -0.005 0.000 0.242 875 A C 0.721 178.285 177.584 -0.034 0.000 1.607 875 A CA -0.020 52.076 52.037 0.098 0.000 1.370 875 A CB -0.859 18.287 19.000 0.243 0.000 0.934 875 A HN 0.220 nan 8.150 nan 0.000 0.628 876 K N 0.000 120.268 120.400 -0.220 0.000 2.780 876 K HA 0.000 4.317 4.320 -0.005 0.000 0.191 876 K CA 0.000 55.971 56.287 -0.527 0.000 0.838 876 K CB 0.000 32.214 32.500 -0.476 0.000 1.064 876 K HN 0.000 nan 8.250 nan 0.000 0.543