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 1nk4_1_A DATA FIRST_RESID 297 DATA SEQUENCE AKMAFTLADR VTEEMLADKA ALVVEVVEEN YHDAPIVGIA VVNEHGRFFL DATA SEQUENCE RPETALADPQ FVAWLGDETK KKSMFDSKRA AVALKWKGIE LCGVSFDLLL DATA SEQUENCE AAYLLDPAQG VDDVAAAAKM KQYEAVRPDE AVYGKGAKRA VPDEPVLAEH DATA SEQUENCE LVRKAAAIWE LERPFLDELR RNEQDRLLVE LEQPLSSILA EMEFAGVKVD DATA SEQUENCE TKRLEQMGKE LAEQLGTVEQ RIYELAGQEF NINSPKQLGV ILFEKLQLPV DATA SEQUENCE LKKTKTGYST SADVLEKLAP YHEIVENILH YRQLGKLQST YIEGLLKVVR DATA SEQUENCE PDTKKVHTIF NQALTQTGRL SSTEPNLQNI PIRLEEGRKI RQAFVPSESD DATA SEQUENCE WLIFAADYSQ IELRVLAHIA EDDNLMEAFR RDLDIHTKTA MDIFQVSEDE DATA SEQUENCE VTPNMRRQAK AVNFGIVYGI SDYGLAQNLN ISRKEAAEFI ERYFESFPGV DATA SEQUENCE KRYMENIVQE AKQKGYVTTL LHRRRYLPDI TSRNFNVRSF AERMAMNTPI DATA SEQUENCE QGSAADIIKK AMIDLNARLK EERLQAHLLL QVHDELILEA PKEEMERLCR DATA SEQUENCE LVPEVMEQAV TLRVPLKVDY HYGSTWYDAK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 297 A HA 0.000 nan 4.320 nan 0.000 0.244 297 A C 0.000 177.587 177.584 0.005 0.000 1.274 297 A CA 0.000 52.034 52.037 -0.005 0.000 0.836 297 A CB 0.000 18.995 19.000 -0.008 0.000 0.831 298 K N 0.360 120.764 120.400 0.007 0.000 2.559 298 K HA 0.411 4.729 4.320 -0.003 0.000 0.279 298 K C 0.069 176.692 176.600 0.038 0.000 0.967 298 K CA 1.200 57.501 56.287 0.023 0.000 1.000 298 K CB -0.359 32.145 32.500 0.006 0.000 0.890 298 K HN 0.890 nan 8.250 nan 0.000 0.501 299 M N 2.304 121.956 119.600 0.087 0.000 2.157 299 M HA 0.525 5.003 4.480 -0.003 0.000 0.354 299 M C 0.302 176.697 176.300 0.159 0.000 1.170 299 M CA -0.423 54.947 55.300 0.117 0.000 1.060 299 M CB 1.340 34.024 32.600 0.141 0.000 1.615 299 M HN 0.829 nan 8.290 nan 0.000 0.460 300 A N 4.991 127.853 122.820 0.071 0.000 2.407 300 A HA 0.682 5.000 4.320 -0.003 0.000 0.248 300 A C -0.808 176.833 177.584 0.095 0.000 1.082 300 A CA -0.175 51.851 52.037 -0.018 0.000 0.785 300 A CB -0.063 18.904 19.000 -0.055 0.000 1.020 300 A HN 0.959 nan 8.150 nan 0.000 0.489 301 F N -1.766 118.124 119.950 -0.099 0.000 2.829 301 F HA 0.548 5.071 4.527 -0.006 0.000 0.319 301 F C -0.764 174.974 175.800 -0.104 0.000 1.153 301 F CA -0.784 57.130 58.000 -0.144 0.000 0.912 301 F CB 0.655 39.599 39.000 -0.093 0.000 1.292 301 F HN 0.358 nan 8.300 nan 0.000 0.447 302 T N 3.048 117.669 114.554 0.112 0.000 2.767 302 T HA 0.446 4.793 4.350 -0.003 0.000 0.288 302 T C -0.522 174.407 174.700 0.382 0.000 0.963 302 T CA -0.356 61.816 62.100 0.119 0.000 1.019 302 T CB 1.178 70.130 68.868 0.140 0.000 0.923 302 T HN 0.773 nan 8.240 nan 0.000 0.468 303 L N 3.924 125.312 121.223 0.275 0.000 2.358 303 L HA 0.533 4.871 4.340 -0.003 0.000 0.274 303 L C 0.606 177.632 176.870 0.260 0.000 1.136 303 L CA -0.602 54.483 54.840 0.410 0.000 0.970 303 L CB -0.323 41.918 42.059 0.304 0.000 1.314 303 L HN 0.745 nan 8.230 nan 0.000 0.427 304 A N 2.694 125.661 122.820 0.245 0.000 2.407 304 A HA 0.152 4.470 4.320 -0.003 0.000 0.248 304 A C 0.497 178.118 177.584 0.062 0.000 1.082 304 A CA -0.274 51.837 52.037 0.124 0.000 0.785 304 A CB 0.235 19.284 19.000 0.082 0.000 1.020 304 A HN 0.735 nan 8.150 nan 0.000 0.489 305 D N -0.084 120.333 120.400 0.029 0.000 2.379 305 D HA 0.127 4.764 4.640 -0.003 0.000 0.208 305 D C 0.637 176.917 176.300 -0.033 0.000 1.065 305 D CA 0.612 54.615 54.000 0.006 0.000 0.848 305 D CB 0.435 41.243 40.800 0.014 0.000 0.949 305 D HN 0.604 nan 8.370 nan 0.000 0.509 306 R N 0.196 120.666 120.500 -0.049 0.000 2.710 306 R HA 0.375 4.713 4.340 -0.003 0.000 0.270 306 R C -1.577 174.653 176.300 -0.116 0.000 1.021 306 R CA -0.569 55.485 56.100 -0.077 0.000 0.889 306 R CB 1.836 32.105 30.300 -0.052 0.000 1.243 306 R HN -0.277 nan 8.270 nan 0.000 0.464 307 V N 2.518 122.348 119.914 -0.140 0.000 2.583 307 V HA 0.318 4.436 4.120 -0.003 0.000 0.287 307 V C 0.405 176.407 176.094 -0.154 0.000 1.051 307 V CA -0.073 62.120 62.300 -0.178 0.000 1.010 307 V CB 1.219 32.953 31.823 -0.149 0.000 0.988 307 V HN 0.939 nan 8.190 nan 0.000 0.478 308 T N 0.082 114.505 114.554 -0.218 0.000 2.930 308 T HA 0.396 4.744 4.350 -0.003 0.000 0.290 308 T C 0.818 175.378 174.700 -0.234 0.000 1.052 308 T CA -0.452 61.530 62.100 -0.196 0.000 1.017 308 T CB 1.906 70.660 68.868 -0.190 0.000 1.137 308 T HN 0.684 nan 8.240 nan 0.000 0.511 309 E N 0.556 120.649 120.200 -0.179 0.000 2.118 309 E HA -0.237 4.111 4.350 -0.003 0.000 0.195 309 E C 1.679 178.147 176.600 -0.220 0.000 0.992 309 E CA 1.778 58.076 56.400 -0.169 0.000 0.804 309 E CB -0.091 29.539 29.700 -0.117 0.000 0.741 309 E HN 0.879 nan 8.360 nan 0.000 0.458 310 E N -0.216 119.819 120.200 -0.276 0.000 2.472 310 E HA -0.155 4.193 4.350 -0.003 0.000 0.200 310 E C 1.703 178.139 176.600 -0.274 0.000 1.046 310 E CA 0.707 56.930 56.400 -0.296 0.000 0.871 310 E CB -0.166 29.322 29.700 -0.355 0.000 0.806 310 E HN 0.389 nan 8.360 nan 0.000 0.533 311 M N 0.565 119.842 119.600 -0.538 0.000 2.556 311 M HA 0.143 4.621 4.480 -0.003 0.000 0.245 311 M C 0.815 176.691 176.300 -0.708 0.000 1.128 311 M CA 0.538 55.402 55.300 -0.727 0.000 1.069 311 M CB 0.340 32.455 32.600 -0.807 0.000 1.469 311 M HN 0.105 nan 8.290 nan 0.000 0.494 312 L N 0.203 121.084 121.223 -0.570 0.000 3.094 312 L HA 0.462 4.800 4.340 -0.003 0.000 0.254 312 L C 0.707 177.484 176.870 -0.155 0.000 1.298 312 L CA -0.790 53.578 54.840 -0.787 0.000 1.050 312 L CB -0.435 41.330 42.059 -0.489 0.000 1.420 312 L HN 0.036 nan 8.230 nan 0.000 0.548 313 A N 0.507 123.334 122.820 0.011 0.000 2.386 313 A HA 0.103 4.421 4.320 -0.003 0.000 0.246 313 A C 0.989 178.786 177.584 0.355 0.000 1.089 313 A CA 0.098 52.257 52.037 0.203 0.000 0.790 313 A CB 0.224 19.322 19.000 0.164 0.000 1.042 313 A HN 0.531 nan 8.150 nan 0.000 0.497 314 D N -0.732 119.824 120.400 0.260 0.000 2.352 314 D HA 0.053 4.691 4.640 -0.003 0.000 0.232 314 D C 0.277 176.703 176.300 0.209 0.000 1.055 314 D CA 0.704 54.840 54.000 0.227 0.000 0.891 314 D CB -0.069 40.813 40.800 0.136 0.000 0.897 314 D HN 0.443 nan 8.370 nan 0.000 0.529 315 K N -0.387 120.176 120.400 0.272 0.000 2.565 315 K HA 0.627 4.944 4.320 -0.003 0.000 0.251 315 K C -2.007 174.850 176.600 0.427 0.000 0.956 315 K CA -0.696 55.775 56.287 0.306 0.000 0.809 315 K CB 1.856 34.515 32.500 0.266 0.000 1.267 315 K HN 0.039 nan 8.250 nan 0.000 0.438 316 A N 1.962 125.065 122.820 0.472 0.000 2.608 316 A HA 0.766 5.084 4.320 -0.003 0.000 0.292 316 A C -1.767 176.084 177.584 0.444 0.000 1.066 316 A CA -0.555 51.730 52.037 0.413 0.000 0.676 316 A CB 1.425 20.628 19.000 0.338 0.000 1.277 316 A HN 0.724 nan 8.150 nan 0.000 0.413 317 A N 0.388 123.435 122.820 0.378 0.000 2.289 317 A HA 0.665 4.983 4.320 -0.003 0.000 0.298 317 A C -0.688 177.042 177.584 0.244 0.000 1.208 317 A CA -0.244 52.003 52.037 0.350 0.000 0.845 317 A CB 0.326 19.549 19.000 0.371 0.000 1.125 317 A HN 1.913 nan 8.150 nan 0.000 0.517 318 L N 3.446 124.810 121.223 0.234 0.000 2.365 318 L HA 0.753 5.091 4.340 -0.003 0.000 0.273 318 L C -1.138 175.829 176.870 0.162 0.000 1.000 318 L CA -0.344 54.633 54.840 0.229 0.000 0.819 318 L CB 2.222 44.445 42.059 0.275 0.000 1.284 318 L HN 0.384 nan 8.230 nan 0.000 0.418 319 V N 5.552 125.551 119.914 0.143 0.000 2.483 319 V HA 0.503 4.621 4.120 -0.003 0.000 0.297 319 V C -0.774 175.382 176.094 0.104 0.000 1.027 319 V CA -0.557 61.805 62.300 0.103 0.000 0.855 319 V CB 1.923 33.785 31.823 0.065 0.000 0.995 319 V HN 0.516 nan 8.190 nan 0.000 0.424 320 V N 4.124 124.092 119.914 0.090 0.000 2.289 320 V HA 0.336 4.454 4.120 -0.003 0.000 0.272 320 V C 0.009 176.136 176.094 0.056 0.000 1.026 320 V CA -0.648 61.698 62.300 0.077 0.000 0.807 320 V CB 1.358 33.226 31.823 0.075 0.000 1.044 320 V HN 0.925 nan 8.190 nan 0.000 0.443 321 E N 3.528 123.768 120.200 0.066 0.000 2.299 321 E HA 0.346 4.694 4.350 -0.003 0.000 0.272 321 E C -0.776 175.842 176.600 0.030 0.000 1.043 321 E CA 0.133 56.574 56.400 0.067 0.000 0.895 321 E CB 1.106 30.878 29.700 0.120 0.000 1.011 321 E HN 0.426 nan 8.360 nan 0.000 0.432 322 V N 6.479 126.400 119.914 0.012 0.000 2.349 322 V HA 0.099 4.217 4.120 -0.003 0.000 0.284 322 V C 0.821 176.886 176.094 -0.047 0.000 1.014 322 V CA -0.549 61.747 62.300 -0.007 0.000 0.826 322 V CB 1.394 33.231 31.823 0.022 0.000 1.009 322 V HN 0.687 nan 8.190 nan 0.000 0.431 323 V N 2.354 122.185 119.914 -0.139 0.000 2.488 323 V HA 0.011 4.129 4.120 -0.003 0.000 0.246 323 V C 1.235 177.239 176.094 -0.151 0.000 1.046 323 V CA 0.913 63.048 62.300 -0.274 0.000 1.053 323 V CB -0.248 31.276 31.823 -0.497 0.000 0.679 323 V HN 0.806 nan 8.190 nan 0.000 0.458 324 E N 1.004 121.150 120.200 -0.090 0.000 2.465 324 E HA -0.040 4.308 4.350 -0.003 0.000 0.260 324 E C 1.207 177.792 176.600 -0.025 0.000 0.980 324 E CA 0.163 56.528 56.400 -0.058 0.000 0.927 324 E CB 0.588 30.256 29.700 -0.054 0.000 0.934 324 E HN 0.474 nan 8.360 nan 0.000 0.459 325 E N 1.841 122.025 120.200 -0.027 0.000 2.058 325 E HA -0.180 4.168 4.350 -0.003 0.000 0.194 325 E C 0.647 177.211 176.600 -0.061 0.000 0.997 325 E CA 0.817 57.209 56.400 -0.012 0.000 0.801 325 E CB 0.112 29.803 29.700 -0.016 0.000 0.746 325 E HN 0.313 nan 8.360 nan 0.000 0.450 326 N N 0.546 119.181 118.700 -0.109 0.000 2.415 326 N HA -0.036 4.702 4.740 -0.003 0.000 0.246 326 N C 0.021 175.405 175.510 -0.211 0.000 1.078 326 N CA -0.049 52.866 53.050 -0.226 0.000 0.942 326 N CB 0.426 38.829 38.487 -0.140 0.000 1.140 326 N HN 0.080 nan 8.380 nan 0.000 0.501 327 Y N 1.390 121.605 120.300 -0.142 0.000 2.529 327 Y HA 0.233 4.781 4.550 -0.003 0.000 0.290 327 Y C 0.361 176.110 175.900 -0.251 0.000 1.177 327 Y CA -0.386 57.609 58.100 -0.174 0.000 1.305 327 Y CB -0.831 37.545 38.460 -0.141 0.000 1.047 327 Y HN 0.372 nan 8.280 nan 0.000 0.522 328 H N 2.774 121.763 119.070 -0.136 0.000 2.975 328 H HA 0.017 4.571 4.556 -0.003 0.000 0.303 328 H C 0.341 175.125 175.328 -0.908 0.000 1.023 328 H CA 0.911 56.709 56.048 -0.416 0.000 1.473 328 H CB 0.439 30.016 29.762 -0.309 0.000 1.498 328 H HN 0.344 nan 8.280 nan 0.000 0.549 329 D N 0.857 120.417 120.400 -1.401 0.000 2.811 329 D HA -0.180 4.458 4.640 -0.003 0.000 0.231 329 D C -0.187 175.901 176.300 -0.353 0.000 1.157 329 D CA 0.886 54.345 54.000 -0.902 0.000 0.716 329 D CB -0.706 39.427 40.800 -1.112 0.000 1.077 329 D HN 0.750 nan 8.370 nan 0.000 0.428 330 A N -0.148 122.540 122.820 -0.220 0.000 2.279 330 A HA 0.698 5.016 4.320 -0.003 0.000 0.303 330 A C -2.166 175.393 177.584 -0.043 0.000 1.108 330 A CA -1.038 50.937 52.037 -0.104 0.000 0.830 330 A CB 0.712 19.676 19.000 -0.060 0.000 1.106 330 A HN 0.094 nan 8.150 nan 0.000 0.493 331 P HA 0.353 nan 4.420 nan 0.000 0.275 331 P C -0.948 176.352 177.300 -0.001 0.000 1.228 331 P CA 0.094 63.187 63.100 -0.011 0.000 0.786 331 P CB 0.475 32.166 31.700 -0.015 0.000 0.927 332 I N 2.594 123.170 120.570 0.011 0.000 2.312 332 I HA 0.065 4.233 4.170 -0.003 0.000 0.290 332 I C 1.447 177.576 176.117 0.021 0.000 1.008 332 I CA -0.520 60.791 61.300 0.017 0.000 1.226 332 I CB 1.564 39.578 38.000 0.024 0.000 1.371 332 I HN 0.200 nan 8.210 nan 0.000 0.468 333 V N 3.057 122.991 119.914 0.033 0.000 3.235 333 V HA 0.496 4.614 4.120 -0.003 0.000 0.259 333 V C 0.710 176.873 176.094 0.114 0.000 1.133 333 V CA 0.687 63.026 62.300 0.066 0.000 1.128 333 V CB -0.341 31.523 31.823 0.069 0.000 0.757 333 V HN 0.821 nan 8.190 nan 0.000 0.469 334 G N -0.638 108.213 108.800 0.085 0.000 2.489 334 G HA2 0.597 4.555 3.960 -0.003 0.000 0.291 334 G HA3 0.597 4.555 3.960 -0.003 0.000 0.291 334 G C -1.783 173.091 174.900 -0.044 0.000 1.487 334 G CA -0.708 44.424 45.100 0.053 0.000 0.795 334 G HN 0.188 nan 8.290 nan 0.000 0.513 335 I N 0.354 120.757 120.570 -0.279 0.000 2.582 335 I HA 0.702 4.870 4.170 -0.003 0.000 0.292 335 I C 0.086 176.097 176.117 -0.176 0.000 1.066 335 I CA -0.995 60.206 61.300 -0.165 0.000 1.053 335 I CB 2.327 40.212 38.000 -0.190 0.000 1.241 335 I HN 0.824 nan 8.210 nan 0.000 0.421 336 A N 5.541 128.367 122.820 0.011 0.000 2.414 336 A HA 0.900 5.218 4.320 -0.003 0.000 0.306 336 A C -1.360 176.282 177.584 0.097 0.000 1.054 336 A CA -0.539 51.531 52.037 0.055 0.000 0.724 336 A CB 1.870 20.906 19.000 0.060 0.000 1.267 336 A HN 0.395 nan 8.150 nan 0.000 0.418 337 V N 1.960 121.948 119.914 0.123 0.000 2.638 337 V HA 0.587 4.705 4.120 -0.003 0.000 0.306 337 V C -0.828 175.341 176.094 0.125 0.000 1.052 337 V CA -0.499 61.888 62.300 0.145 0.000 0.885 337 V CB 1.865 33.752 31.823 0.108 0.000 0.999 337 V HN 0.731 nan 8.190 nan 0.000 0.424 338 V N 5.209 125.109 119.914 -0.023 0.000 2.525 338 V HA 0.657 4.775 4.120 -0.003 0.000 0.299 338 V C -0.493 175.205 176.094 -0.661 0.000 1.034 338 V CA -0.493 61.638 62.300 -0.282 0.000 0.863 338 V CB 1.851 33.475 31.823 -0.331 0.000 0.999 338 V HN 1.135 nan 8.190 nan 0.000 0.423 339 N N 2.203 120.501 118.700 -0.670 0.000 3.418 339 N HA 0.279 5.017 4.740 -0.003 0.000 0.316 339 N C 0.767 175.931 175.510 -0.576 0.000 1.601 339 N CA -0.393 52.154 53.050 -0.837 0.000 0.805 339 N CB 0.536 38.883 38.487 -0.233 0.000 1.873 339 N HN 0.510 nan 8.380 nan 0.000 0.615 340 E N -0.877 119.156 120.200 -0.278 0.000 2.267 340 E HA -0.262 4.086 4.350 -0.003 0.000 0.197 340 E C 0.310 176.803 176.600 -0.178 0.000 0.998 340 E CA 1.511 57.827 56.400 -0.140 0.000 0.830 340 E CB -0.607 28.993 29.700 -0.167 0.000 0.751 340 E HN 0.718 nan 8.360 nan 0.000 0.491 341 H N 0.189 119.291 119.070 0.053 0.000 2.563 341 H HA 0.341 4.895 4.556 -0.004 0.000 0.264 341 H C 0.881 176.238 175.328 0.048 0.000 0.957 341 H CA -0.012 56.096 56.048 0.099 0.000 1.173 341 H CB 1.053 30.919 29.762 0.173 0.000 1.420 341 H HN 0.358 nan 8.280 nan 0.000 0.551 342 G N -0.036 108.764 108.800 0.000 0.000 2.339 342 G HA2 0.065 4.023 3.960 -0.003 0.000 0.275 342 G HA3 0.065 4.023 3.960 -0.003 0.000 0.275 342 G C -1.610 172.969 174.900 -0.535 0.000 1.323 342 G CA -1.237 43.677 45.100 -0.310 0.000 0.927 342 G HN 0.104 nan 8.290 nan 0.000 0.486 343 R N -0.511 119.556 120.500 -0.722 0.000 2.494 343 R HA 0.694 5.032 4.340 -0.003 0.000 0.305 343 R C -1.458 174.454 176.300 -0.647 0.000 0.959 343 R CA -0.452 55.364 56.100 -0.473 0.000 0.864 343 R CB 1.510 31.716 30.300 -0.157 0.000 1.159 343 R HN 0.314 nan 8.270 nan 0.000 0.446 344 F N 1.895 121.872 119.950 0.046 0.000 2.576 344 F HA 0.471 5.000 4.527 0.002 0.000 0.313 344 F C -0.555 175.292 175.800 0.078 0.000 1.078 344 F CA -1.130 56.925 58.000 0.090 0.000 0.921 344 F CB 1.531 40.531 39.000 0.000 0.000 1.232 344 F HN 0.342 nan 8.300 nan 0.000 0.459 345 F N 3.615 123.673 119.950 0.179 0.000 2.482 345 F HA 0.824 5.349 4.527 -0.003 0.000 0.331 345 F C -1.784 174.043 175.800 0.046 0.000 1.115 345 F CA -0.973 57.046 58.000 0.032 0.000 0.955 345 F CB 1.081 40.064 39.000 -0.028 0.000 1.136 345 F HN 0.332 nan 8.300 nan 0.000 0.452 346 L N 6.136 126.798 121.223 -0.936 0.000 2.386 346 L HA 0.558 4.896 4.340 -0.003 0.000 0.271 346 L C -0.438 175.879 176.870 -0.923 0.000 0.993 346 L CA -1.064 53.342 54.840 -0.725 0.000 0.819 346 L CB 2.292 44.011 42.059 -0.567 0.000 1.294 346 L HN 0.578 nan 8.230 nan 0.000 0.414 347 R N 2.702 122.899 120.500 -0.504 0.000 2.389 347 R HA 0.152 4.490 4.340 -0.003 0.000 0.295 347 R C -1.718 174.427 176.300 -0.258 0.000 1.075 347 R CA -1.544 54.384 56.100 -0.287 0.000 1.005 347 R CB 0.726 30.981 30.300 -0.075 0.000 0.987 347 R HN 0.319 nan 8.270 nan 0.000 0.452 348 P HA -0.269 nan 4.420 nan 0.000 0.215 348 P C 1.075 178.318 177.300 -0.095 0.000 1.157 348 P CA 1.285 64.307 63.100 -0.130 0.000 0.874 348 P CB 0.127 31.794 31.700 -0.056 0.000 0.790 349 E N -0.719 119.444 120.200 -0.061 0.000 2.160 349 E HA -0.165 4.183 4.350 -0.003 0.000 0.195 349 E C 1.343 177.908 176.600 -0.058 0.000 0.991 349 E CA 1.801 58.178 56.400 -0.039 0.000 0.810 349 E CB -1.654 28.034 29.700 -0.019 0.000 0.742 349 E HN 0.208 nan 8.360 nan 0.000 0.466 350 T N 1.418 115.913 114.554 -0.099 0.000 2.735 350 T HA 0.142 4.490 4.350 -0.003 0.000 0.256 350 T C 2.109 176.709 174.700 -0.166 0.000 1.042 350 T CA 1.590 63.620 62.100 -0.117 0.000 1.147 350 T CB -0.428 68.360 68.868 -0.134 0.000 0.865 350 T HN 0.405 nan 8.240 nan 0.000 0.421 351 A N 1.573 124.214 122.820 -0.298 0.000 1.883 351 A HA 0.003 4.321 4.320 -0.003 0.000 0.217 351 A C 2.183 179.667 177.584 -0.167 0.000 1.186 351 A CA 1.301 53.035 52.037 -0.505 0.000 0.624 351 A CB -1.014 17.375 19.000 -1.019 0.000 0.822 351 A HN 0.493 nan 8.150 nan 0.000 0.444 352 L N -1.193 119.996 121.223 -0.056 0.000 2.622 352 L HA -0.025 4.313 4.340 -0.003 0.000 0.233 352 L C 2.357 179.267 176.870 0.066 0.000 1.156 352 L CA 0.584 55.473 54.840 0.082 0.000 0.866 352 L CB -0.321 41.774 42.059 0.060 0.000 0.980 352 L HN 0.470 nan 8.230 nan 0.000 0.448 353 A N -1.929 120.906 122.820 0.025 0.000 2.288 353 A HA 0.007 4.324 4.320 -0.003 0.000 0.216 353 A C 0.718 178.322 177.584 0.033 0.000 1.199 353 A CA -0.196 51.856 52.037 0.025 0.000 0.891 353 A CB 0.067 19.069 19.000 0.003 0.000 0.923 353 A HN 0.213 nan 8.150 nan 0.000 0.500 354 D N 0.590 121.017 120.400 0.045 0.000 2.325 354 D HA 0.204 4.842 4.640 -0.003 0.000 0.251 354 D C -1.811 174.552 176.300 0.105 0.000 1.196 354 D CA -1.569 52.466 54.000 0.059 0.000 0.866 354 D CB 1.435 42.259 40.800 0.040 0.000 1.101 354 D HN -0.024 nan 8.370 nan 0.000 0.476 355 P HA -0.177 nan 4.420 nan 0.000 0.216 355 P C 1.046 178.395 177.300 0.082 0.000 1.153 355 P CA 1.292 64.431 63.100 0.065 0.000 0.858 355 P CB 0.413 32.137 31.700 0.040 0.000 0.789 356 Q N -1.968 117.883 119.800 0.084 0.000 2.084 356 Q HA -0.125 4.213 4.340 -0.003 0.000 0.202 356 Q C 1.955 178.045 176.000 0.150 0.000 0.978 356 Q CA 1.378 57.235 55.803 0.090 0.000 0.844 356 Q CB -1.313 27.457 28.738 0.053 0.000 0.898 356 Q HN 0.234 nan 8.270 nan 0.000 0.426 357 F N -0.137 119.830 119.950 0.029 0.000 2.113 357 F HA -0.168 4.356 4.527 -0.004 0.000 0.297 357 F C 1.871 177.771 175.800 0.166 0.000 1.103 357 F CA 0.884 58.929 58.000 0.075 0.000 1.248 357 F CB -0.205 38.795 39.000 -0.001 0.000 0.999 357 F HN -0.139 nan 8.300 nan 0.000 0.475 358 V N 0.360 120.386 119.914 0.187 0.000 2.343 358 V HA -0.319 3.799 4.120 -0.003 0.000 0.247 358 V C 2.688 178.783 176.094 0.002 0.000 1.051 358 V CA 1.764 64.110 62.300 0.077 0.000 1.036 358 V CB -1.558 30.320 31.823 0.092 0.000 0.654 358 V HN 0.465 nan 8.190 nan 0.000 0.451 359 A N -0.978 121.864 122.820 0.037 0.000 1.902 359 A HA -0.272 4.046 4.320 -0.003 0.000 0.217 359 A C 1.951 179.539 177.584 0.006 0.000 1.181 359 A CA 1.852 53.900 52.037 0.018 0.000 0.623 359 A CB -0.881 18.144 19.000 0.042 0.000 0.818 359 A HN 0.733 nan 8.150 nan 0.000 0.443 360 W N 0.736 121.930 121.300 -0.176 0.000 2.358 360 W HA -0.159 4.499 4.660 -0.003 0.000 0.303 360 W C 1.731 178.092 176.519 -0.262 0.000 1.208 360 W CA 1.876 59.091 57.345 -0.216 0.000 1.274 360 W CB -0.365 28.928 29.460 -0.279 0.000 1.138 360 W HN 0.249 nan 8.180 nan 0.000 0.515 361 L N 0.213 121.243 121.223 -0.322 0.000 2.042 361 L HA -0.128 4.210 4.340 -0.003 0.000 0.210 361 L C 2.472 179.118 176.870 -0.373 0.000 1.076 361 L CA 1.588 56.147 54.840 -0.467 0.000 0.749 361 L CB -1.384 40.501 42.059 -0.290 0.000 0.893 361 L HN 0.251 nan 8.230 nan 0.000 0.432 362 G N -1.855 106.801 108.800 -0.240 0.000 2.985 362 G HA2 -0.114 3.843 3.960 -0.003 0.000 0.209 362 G HA3 -0.114 3.843 3.960 -0.003 0.000 0.209 362 G C 0.181 174.973 174.900 -0.181 0.000 1.165 362 G CA -0.202 44.788 45.100 -0.184 0.000 0.776 362 G HN 0.147 nan 8.290 nan 0.000 0.541 363 D N 0.740 121.001 120.400 -0.232 0.000 2.339 363 D HA 0.121 4.759 4.640 -0.003 0.000 0.241 363 D C 1.290 177.459 176.300 -0.217 0.000 1.183 363 D CA -0.403 53.484 54.000 -0.188 0.000 0.859 363 D CB 1.353 42.054 40.800 -0.165 0.000 1.067 363 D HN 0.182 nan 8.370 nan 0.000 0.484 364 E N 1.932 122.041 120.200 -0.150 0.000 2.209 364 E HA -0.189 4.159 4.350 -0.003 0.000 0.196 364 E C 1.532 178.062 176.600 -0.117 0.000 0.993 364 E CA 1.762 58.083 56.400 -0.133 0.000 0.819 364 E CB 0.101 29.747 29.700 -0.091 0.000 0.745 364 E HN 0.532 nan 8.360 nan 0.000 0.477 365 T N -2.139 112.355 114.554 -0.100 0.000 3.088 365 T HA 0.060 4.408 4.350 -0.003 0.000 0.259 365 T C 0.548 175.206 174.700 -0.070 0.000 1.122 365 T CA -0.050 62.011 62.100 -0.065 0.000 1.095 365 T CB 0.074 68.922 68.868 -0.034 0.000 0.930 365 T HN -0.160 nan 8.240 nan 0.000 0.508 366 K N 2.833 123.142 120.400 -0.152 0.000 2.266 366 K HA 0.330 4.648 4.320 -0.003 0.000 0.274 366 K C -0.311 176.148 176.600 -0.235 0.000 1.090 366 K CA -0.341 55.838 56.287 -0.180 0.000 0.925 366 K CB 1.017 33.252 32.500 -0.442 0.000 1.225 366 K HN 0.208 nan 8.250 nan 0.000 0.458 367 K N 2.677 123.031 120.400 -0.076 0.000 2.276 367 K HA 0.234 4.551 4.320 -0.003 0.000 0.283 367 K C -0.056 176.541 176.600 -0.004 0.000 1.044 367 K CA -0.495 55.763 56.287 -0.049 0.000 0.944 367 K CB 0.712 33.220 32.500 0.014 0.000 1.012 367 K HN 0.258 nan 8.250 nan 0.000 0.472 368 K N 0.595 120.973 120.400 -0.035 0.000 2.316 368 K HA 0.393 4.710 4.320 -0.003 0.000 0.251 368 K C -0.706 175.960 176.600 0.111 0.000 0.934 368 K CA -0.464 55.848 56.287 0.041 0.000 0.802 368 K CB 1.951 34.405 32.500 -0.077 0.000 1.171 368 K HN 0.311 nan 8.250 nan 0.000 0.426 369 S N 2.611 118.433 115.700 0.203 0.000 2.449 369 S HA 0.643 5.111 4.470 -0.003 0.000 0.310 369 S C -0.661 174.072 174.600 0.221 0.000 1.096 369 S CA -0.805 57.559 58.200 0.274 0.000 1.095 369 S CB 0.488 63.892 63.200 0.340 0.000 1.007 369 S HN 0.465 nan 8.310 nan 0.000 0.474 370 M N 1.886 121.571 119.600 0.143 0.000 2.948 370 M HA 0.586 5.064 4.480 -0.003 0.000 0.278 370 M C -1.681 174.656 176.300 0.060 0.000 1.293 370 M CA -0.737 54.623 55.300 0.101 0.000 0.777 370 M CB 1.639 34.264 32.600 0.041 0.000 1.713 370 M HN 0.595 nan 8.290 nan 0.000 0.444 371 F N 1.727 121.638 119.950 -0.065 0.000 2.499 371 F HA 0.381 4.907 4.527 -0.002 0.000 0.333 371 F C -0.471 175.279 175.800 -0.084 0.000 1.138 371 F CA -0.295 57.645 58.000 -0.099 0.000 0.945 371 F CB 0.829 39.787 39.000 -0.069 0.000 1.181 371 F HN 0.697 nan 8.300 nan 0.000 0.435 372 D N 3.382 123.518 120.400 -0.441 0.000 2.848 372 D HA -0.211 4.427 4.640 -0.003 0.000 0.245 372 D C 0.946 177.152 176.300 -0.155 0.000 1.122 372 D CA 1.011 54.847 54.000 -0.274 0.000 0.769 372 D CB -0.760 39.986 40.800 -0.090 0.000 1.025 372 D HN 0.625 nan 8.370 nan 0.000 0.423 373 S N 0.540 116.137 115.700 -0.171 0.000 2.419 373 S HA -0.219 4.249 4.470 -0.003 0.000 0.233 373 S C 1.856 176.355 174.600 -0.168 0.000 1.016 373 S CA 1.370 59.487 58.200 -0.138 0.000 0.974 373 S CB 0.030 63.154 63.200 -0.127 0.000 0.786 373 S HN 0.543 nan 8.310 nan 0.000 0.492 374 K N 1.815 122.105 120.400 -0.184 0.000 2.057 374 K HA -0.105 4.213 4.320 -0.003 0.000 0.207 374 K C 2.524 178.872 176.600 -0.419 0.000 1.049 374 K CA 1.238 57.404 56.287 -0.202 0.000 0.931 374 K CB -0.247 32.187 32.500 -0.110 0.000 0.714 374 K HN 0.465 nan 8.250 nan 0.000 0.440 375 R N 0.181 120.356 120.500 -0.541 0.000 2.083 375 R HA -0.158 4.180 4.340 -0.003 0.000 0.237 375 R C 2.090 178.056 176.300 -0.557 0.000 1.137 375 R CA 1.650 57.175 56.100 -0.959 0.000 0.951 375 R CB -0.414 29.617 30.300 -0.450 0.000 0.851 375 R HN 0.279 nan 8.270 nan 0.000 0.434 376 A N 0.698 123.351 122.820 -0.278 0.000 1.898 376 A HA -0.022 4.296 4.320 -0.003 0.000 0.216 376 A C 2.409 179.904 177.584 -0.149 0.000 1.181 376 A CA 1.501 53.448 52.037 -0.151 0.000 0.620 376 A CB -0.817 18.137 19.000 -0.077 0.000 0.819 376 A HN 0.567 nan 8.150 nan 0.000 0.442 377 A N -0.525 122.191 122.820 -0.174 0.000 1.908 377 A HA -0.029 4.288 4.320 -0.003 0.000 0.218 377 A C 2.236 179.724 177.584 -0.160 0.000 1.181 377 A CA 1.929 53.873 52.037 -0.155 0.000 0.627 377 A CB -0.913 18.000 19.000 -0.145 0.000 0.818 377 A HN 0.392 nan 8.150 nan 0.000 0.445 378 V N -0.313 119.502 119.914 -0.166 0.000 2.379 378 V HA -0.186 3.932 4.120 -0.003 0.000 0.245 378 V C 3.047 179.231 176.094 0.149 0.000 1.044 378 V CA 1.774 64.067 62.300 -0.012 0.000 1.036 378 V CB -1.202 30.689 31.823 0.113 0.000 0.664 378 V HN 0.610 nan 8.190 nan 0.000 0.453 379 A N -0.261 122.592 122.820 0.054 0.000 1.940 379 A HA -0.166 4.152 4.320 -0.003 0.000 0.219 379 A C 2.211 179.865 177.584 0.116 0.000 1.176 379 A CA 1.788 53.904 52.037 0.132 0.000 0.631 379 A CB -0.514 18.504 19.000 0.030 0.000 0.814 379 A HN 0.512 nan 8.150 nan 0.000 0.446 380 L N -1.070 120.158 121.223 0.008 0.000 2.109 380 L HA -0.138 4.200 4.340 -0.003 0.000 0.207 380 L C 2.529 179.344 176.870 -0.092 0.000 1.086 380 L CA 1.339 56.167 54.840 -0.020 0.000 0.760 380 L CB -0.354 41.676 42.059 -0.049 0.000 0.910 380 L HN 0.335 nan 8.230 nan 0.000 0.437 381 K N -0.598 119.651 120.400 -0.251 0.000 2.103 381 K HA -0.213 4.105 4.320 -0.003 0.000 0.207 381 K C 1.872 178.149 176.600 -0.538 0.000 1.048 381 K CA 1.754 57.650 56.287 -0.651 0.000 0.930 381 K CB -0.244 31.450 32.500 -1.343 0.000 0.716 381 K HN 0.271 nan 8.250 nan 0.000 0.444 382 W N 1.260 122.439 121.300 -0.202 0.000 2.525 382 W HA -0.085 4.572 4.660 -0.004 0.000 0.259 382 W C 1.416 177.973 176.519 0.062 0.000 1.253 382 W CA 0.725 58.140 57.345 0.117 0.000 1.262 382 W CB 0.195 29.755 29.460 0.165 0.000 1.122 382 W HN -0.042 nan 8.180 nan 0.000 0.607 383 K N -0.399 120.110 120.400 0.182 0.000 2.372 383 K HA 0.247 4.565 4.320 -0.003 0.000 0.200 383 K C 1.221 177.856 176.600 0.058 0.000 1.022 383 K CA 0.511 56.870 56.287 0.120 0.000 1.125 383 K CB 0.405 32.960 32.500 0.093 0.000 0.855 383 K HN 0.023 nan 8.250 nan 0.000 0.524 384 G N 2.119 110.926 108.800 0.011 0.000 2.198 384 G HA2 -0.258 3.700 3.960 -0.003 0.000 0.257 384 G HA3 -0.258 3.700 3.960 -0.003 0.000 0.257 384 G C -0.081 174.798 174.900 -0.034 0.000 1.042 384 G CA 0.013 45.103 45.100 -0.016 0.000 0.791 384 G HN 0.270 nan 8.290 nan 0.000 0.502 385 I N 0.138 120.673 120.570 -0.057 0.000 2.465 385 I HA 0.364 4.532 4.170 -0.003 0.000 0.291 385 I C -0.229 175.830 176.117 -0.097 0.000 1.014 385 I CA -0.968 60.302 61.300 -0.050 0.000 1.093 385 I CB 1.684 39.679 38.000 -0.008 0.000 1.267 385 I HN -0.071 nan 8.210 nan 0.000 0.431 386 E N 5.361 125.504 120.200 -0.096 0.000 2.227 386 E HA 0.356 4.704 4.350 -0.003 0.000 0.282 386 E C -1.057 175.465 176.600 -0.130 0.000 1.015 386 E CA -0.812 55.516 56.400 -0.120 0.000 0.823 386 E CB 2.552 32.189 29.700 -0.105 0.000 1.081 386 E HN 0.272 nan 8.360 nan 0.000 0.396 387 L N 3.907 125.045 121.223 -0.142 0.000 2.280 387 L HA 0.364 4.702 4.340 -0.003 0.000 0.287 387 L C -1.161 175.609 176.870 -0.167 0.000 1.023 387 L CA -0.216 54.526 54.840 -0.163 0.000 0.819 387 L CB 0.723 42.696 42.059 -0.143 0.000 1.212 387 L HN 0.520 nan 8.230 nan 0.000 0.420 388 C N 2.332 121.509 119.300 -0.204 0.000 2.913 388 C HA 0.832 5.290 4.460 -0.003 0.000 0.322 388 C C 1.117 175.976 174.990 -0.219 0.000 1.292 388 C CA -0.098 58.812 59.018 -0.182 0.000 1.649 388 C CB 1.367 29.010 27.740 -0.162 0.000 2.139 388 C HN 1.100 nan 8.230 nan 0.000 0.475 389 G N 0.466 109.165 108.800 -0.168 0.000 2.160 389 G HA2 -0.179 3.779 3.960 -0.003 0.000 0.251 389 G HA3 -0.179 3.779 3.960 -0.003 0.000 0.251 389 G C -0.156 174.664 174.900 -0.133 0.000 1.008 389 G CA 0.296 45.299 45.100 -0.161 0.000 0.724 389 G HN 0.862 nan 8.290 nan 0.000 0.514 390 V N 1.879 121.726 119.914 -0.112 0.000 2.397 390 V HA 0.373 4.491 4.120 -0.003 0.000 0.262 390 V C 1.588 177.665 176.094 -0.029 0.000 1.047 390 V CA 0.903 63.160 62.300 -0.072 0.000 1.003 390 V CB 1.020 32.793 31.823 -0.083 0.000 1.037 390 V HN 0.805 nan 8.190 nan 0.000 0.480 391 S N 4.118 119.830 115.700 0.019 0.000 2.517 391 S HA 0.238 4.706 4.470 -0.003 0.000 0.214 391 S C -0.055 174.638 174.600 0.155 0.000 0.991 391 S CA -0.071 58.164 58.200 0.058 0.000 0.906 391 S CB 0.085 63.316 63.200 0.052 0.000 0.789 391 S HN 0.558 nan 8.310 nan 0.000 0.513 392 F N 1.648 121.579 119.950 -0.032 0.000 2.605 392 F HA 0.525 5.050 4.527 -0.003 0.000 0.320 392 F C -2.090 173.683 175.800 -0.045 0.000 1.159 392 F CA -1.040 56.941 58.000 -0.032 0.000 0.999 392 F CB 1.742 40.727 39.000 -0.025 0.000 1.258 392 F HN -0.040 nan 8.300 nan 0.000 0.464 393 D N 6.207 126.139 120.400 -0.780 0.000 2.462 393 D HA 0.157 4.795 4.640 -0.003 0.000 0.245 393 D C 0.588 176.268 176.300 -1.033 0.000 1.122 393 D CA -0.301 53.294 54.000 -0.674 0.000 0.864 393 D CB 1.749 42.306 40.800 -0.405 0.000 1.098 393 D HN 0.688 nan 8.370 nan 0.000 0.541 394 L N 5.198 125.884 121.223 -0.895 0.000 2.131 394 L HA -0.098 4.240 4.340 -0.003 0.000 0.210 394 L C 1.820 178.385 176.870 -0.508 0.000 1.092 394 L CA 1.461 55.902 54.840 -0.664 0.000 0.759 394 L CB -0.559 41.425 42.059 -0.125 0.000 0.903 394 L HN 0.531 nan 8.230 nan 0.000 0.435 395 L N -0.938 119.798 121.223 -0.811 0.000 2.017 395 L HA -0.168 4.170 4.340 -0.003 0.000 0.208 395 L C 2.239 178.900 176.870 -0.347 0.000 1.073 395 L CA 1.866 56.184 54.840 -0.870 0.000 0.745 395 L CB -0.619 40.660 42.059 -1.299 0.000 0.894 395 L HN 0.276 nan 8.230 nan 0.000 0.432 396 L N -0.566 120.461 121.223 -0.327 0.000 2.093 396 L HA -0.118 4.220 4.340 -0.003 0.000 0.208 396 L C 2.688 179.554 176.870 -0.008 0.000 1.085 396 L CA 0.983 55.760 54.840 -0.105 0.000 0.755 396 L CB -0.999 40.978 42.059 -0.137 0.000 0.904 396 L HN 0.393 nan 8.230 nan 0.000 0.435 397 A N 0.320 123.060 122.820 -0.133 0.000 1.877 397 A HA -0.167 4.150 4.320 -0.003 0.000 0.216 397 A C 2.556 180.293 177.584 0.255 0.000 1.186 397 A CA 1.774 53.849 52.037 0.063 0.000 0.620 397 A CB -0.711 18.321 19.000 0.053 0.000 0.822 397 A HN 0.381 nan 8.150 nan 0.000 0.443 398 A N -1.534 121.431 122.820 0.242 0.000 1.933 398 A HA -0.107 4.211 4.320 -0.003 0.000 0.218 398 A C 2.145 179.901 177.584 0.286 0.000 1.175 398 A CA 1.726 54.004 52.037 0.402 0.000 0.628 398 A CB -0.824 18.386 19.000 0.350 0.000 0.814 398 A HN 0.756 nan 8.150 nan 0.000 0.444 399 Y N 0.653 121.004 120.300 0.084 0.000 2.181 399 Y HA -0.164 4.384 4.550 -0.004 0.000 0.288 399 Y C 1.893 177.837 175.900 0.074 0.000 1.146 399 Y CA 1.783 59.923 58.100 0.066 0.000 1.164 399 Y CB -0.389 38.078 38.460 0.012 0.000 0.982 399 Y HN 0.216 nan 8.280 nan 0.000 0.515 400 L N -0.660 120.538 121.223 -0.041 0.000 2.093 400 L HA -0.217 4.121 4.340 -0.003 0.000 0.208 400 L C 2.480 179.309 176.870 -0.069 0.000 1.085 400 L CA 0.976 55.728 54.840 -0.146 0.000 0.755 400 L CB -0.598 41.448 42.059 -0.021 0.000 0.904 400 L HN 0.278 nan 8.230 nan 0.000 0.435 401 L N -0.804 120.446 121.223 0.045 0.000 2.083 401 L HA -0.108 4.230 4.340 -0.003 0.000 0.209 401 L C 0.276 177.215 176.870 0.116 0.000 1.083 401 L CA 0.988 55.868 54.840 0.067 0.000 0.752 401 L CB -0.086 42.021 42.059 0.080 0.000 0.899 401 L HN 0.280 nan 8.230 nan 0.000 0.433 402 D N -2.415 118.046 120.400 0.102 0.000 2.362 402 D HA 0.133 4.771 4.640 -0.003 0.000 0.228 402 D C -2.156 174.210 176.300 0.110 0.000 1.326 402 D CA -1.081 53.010 54.000 0.152 0.000 0.927 402 D CB 1.145 42.035 40.800 0.151 0.000 1.501 402 D HN -0.252 nan 8.370 nan 0.000 0.519 403 P HA -0.025 nan 4.420 nan 0.000 0.219 403 P C 1.101 178.512 177.300 0.185 0.000 1.146 403 P CA 1.011 64.160 63.100 0.082 0.000 0.808 403 P CB 0.338 31.989 31.700 -0.081 0.000 0.779 404 A N -0.653 122.260 122.820 0.154 0.000 2.119 404 A HA -0.152 4.166 4.320 -0.003 0.000 0.217 404 A C 2.077 179.745 177.584 0.140 0.000 1.153 404 A CA 1.021 53.149 52.037 0.151 0.000 0.692 404 A CB -0.838 18.250 19.000 0.147 0.000 0.799 404 A HN 0.071 nan 8.150 nan 0.000 0.458 405 Q N -0.940 118.947 119.800 0.144 0.000 2.369 405 Q HA 0.002 4.340 4.340 -0.003 0.000 0.206 405 Q C 1.382 177.469 176.000 0.145 0.000 0.963 405 Q CA 0.845 56.728 55.803 0.132 0.000 0.894 405 Q CB -0.552 28.268 28.738 0.136 0.000 0.965 405 Q HN 0.941 nan 8.270 nan 0.000 0.475 406 G N 0.844 109.746 108.800 0.169 0.000 2.249 406 G HA2 -0.270 3.688 3.960 -0.003 0.000 0.273 406 G HA3 -0.270 3.688 3.960 -0.003 0.000 0.273 406 G C 0.159 175.160 174.900 0.168 0.000 1.036 406 G CA 0.340 45.537 45.100 0.161 0.000 0.824 406 G HN 0.228 nan 8.290 nan 0.000 0.504 407 V N 1.522 121.556 119.914 0.200 0.000 2.475 407 V HA 0.190 4.308 4.120 -0.003 0.000 0.292 407 V C 1.338 177.586 176.094 0.257 0.000 1.003 407 V CA 1.269 63.708 62.300 0.232 0.000 1.120 407 V CB 0.861 32.851 31.823 0.279 0.000 0.937 407 V HN 0.656 nan 8.190 nan 0.000 0.476 408 D N 2.170 122.722 120.400 0.253 0.000 2.500 408 D HA 0.116 4.754 4.640 -0.003 0.000 0.217 408 D C 0.030 176.507 176.300 0.295 0.000 1.159 408 D CA -0.030 54.130 54.000 0.268 0.000 0.828 408 D CB 0.723 41.625 40.800 0.169 0.000 1.039 408 D HN 0.662 nan 8.370 nan 0.000 0.512 409 D N -1.232 119.258 120.400 0.150 0.000 2.615 409 D HA 0.086 4.724 4.640 -0.003 0.000 0.267 409 D C 0.990 176.887 176.300 -0.672 0.000 1.236 409 D CA -0.815 52.996 54.000 -0.315 0.000 0.839 409 D CB 1.477 42.210 40.800 -0.111 0.000 1.380 409 D HN -0.247 nan 8.370 nan 0.000 0.433 410 V N 0.676 119.969 119.914 -1.036 0.000 2.332 410 V HA -0.213 3.905 4.120 -0.003 0.000 0.248 410 V C 2.619 178.590 176.094 -0.204 0.000 1.055 410 V CA 2.868 64.768 62.300 -0.667 0.000 1.038 410 V CB -1.160 30.368 31.823 -0.490 0.000 0.651 410 V HN 0.799 nan 8.190 nan 0.000 0.450 411 A N -0.070 122.685 122.820 -0.109 0.000 1.908 411 A HA -0.171 4.147 4.320 -0.003 0.000 0.218 411 A C 2.422 180.045 177.584 0.064 0.000 1.181 411 A CA 2.276 54.327 52.037 0.023 0.000 0.627 411 A CB -0.763 18.264 19.000 0.044 0.000 0.818 411 A HN 0.601 nan 8.150 nan 0.000 0.445 412 A N -0.335 122.518 122.820 0.054 0.000 1.898 412 A HA 0.207 4.525 4.320 -0.003 0.000 0.216 412 A C 2.500 180.186 177.584 0.171 0.000 1.181 412 A CA 1.987 54.092 52.037 0.112 0.000 0.620 412 A CB -0.952 18.122 19.000 0.124 0.000 0.819 412 A HN 1.029 nan 8.150 nan 0.000 0.442 413 A N -0.083 122.851 122.820 0.189 0.000 1.873 413 A HA 0.197 4.515 4.320 -0.003 0.000 0.215 413 A C 2.508 180.295 177.584 0.337 0.000 1.186 413 A CA 1.979 54.191 52.037 0.291 0.000 0.616 413 A CB -1.048 18.090 19.000 0.229 0.000 0.823 413 A HN 1.051 nan 8.150 nan 0.000 0.442 414 A N -0.374 122.566 122.820 0.201 0.000 1.940 414 A HA -0.190 4.128 4.320 -0.003 0.000 0.219 414 A C 2.098 179.848 177.584 0.276 0.000 1.176 414 A CA 1.968 54.142 52.037 0.228 0.000 0.631 414 A CB -0.461 18.642 19.000 0.173 0.000 0.814 414 A HN 0.516 nan 8.150 nan 0.000 0.446 415 K N -0.999 119.529 120.400 0.215 0.000 2.280 415 K HA -0.045 4.272 4.320 -0.003 0.000 0.202 415 K C 1.844 178.533 176.600 0.148 0.000 1.047 415 K CA 1.249 57.636 56.287 0.167 0.000 0.942 415 K CB -0.232 32.343 32.500 0.125 0.000 0.739 415 K HN 0.566 nan 8.250 nan 0.000 0.457 416 M N 0.112 119.821 119.600 0.181 0.000 2.296 416 M HA -0.116 4.362 4.480 -0.003 0.000 0.265 416 M C 0.835 177.164 176.300 0.048 0.000 1.064 416 M CA 1.305 56.672 55.300 0.112 0.000 1.109 416 M CB 0.310 32.997 32.600 0.145 0.000 1.396 416 M HN -0.156 nan 8.290 nan 0.000 0.430 417 K N 0.391 120.862 120.400 0.118 0.000 2.618 417 K HA 0.154 4.472 4.320 -0.003 0.000 0.207 417 K C -0.096 176.585 176.600 0.134 0.000 1.058 417 K CA 0.071 56.410 56.287 0.086 0.000 1.086 417 K CB 0.691 33.261 32.500 0.117 0.000 0.827 417 K HN 0.196 nan 8.250 nan 0.000 0.481 418 Q N -0.746 119.127 119.800 0.123 0.000 2.481 418 Q HA -0.265 4.073 4.340 -0.003 0.000 0.272 418 Q C -0.714 175.372 176.000 0.144 0.000 1.157 418 Q CA 0.939 56.804 55.803 0.105 0.000 0.935 418 Q CB -2.900 25.873 28.738 0.060 0.000 1.338 418 Q HN 0.458 nan 8.270 nan 0.000 0.494 419 Y N 0.189 120.533 120.300 0.073 0.000 2.342 419 Y HA 0.369 4.920 4.550 0.003 0.000 0.338 419 Y C 0.689 176.628 175.900 0.065 0.000 0.965 419 Y CA -0.564 57.581 58.100 0.074 0.000 1.159 419 Y CB 0.946 39.466 38.460 0.101 0.000 1.157 419 Y HN 0.044 nan 8.280 nan 0.000 0.486 420 E N 3.613 123.776 120.200 -0.061 0.000 2.758 420 E HA 0.266 4.614 4.350 -0.003 0.000 0.215 420 E C 0.223 176.797 176.600 -0.043 0.000 0.985 420 E CA -0.101 56.312 56.400 0.021 0.000 1.102 420 E CB 0.758 30.462 29.700 0.007 0.000 1.042 420 E HN 0.645 nan 8.360 nan 0.000 0.480 421 A N 1.354 124.046 122.820 -0.213 0.000 2.840 421 A HA 0.293 4.611 4.320 -0.003 0.000 0.269 421 A C -0.019 177.639 177.584 0.123 0.000 1.439 421 A CA 0.054 52.026 52.037 -0.108 0.000 1.083 421 A CB 0.027 18.860 19.000 -0.279 0.000 1.019 421 A HN 0.106 nan 8.150 nan 0.000 0.607 422 V N -0.301 119.705 119.914 0.153 0.000 3.000 422 V HA 0.431 4.549 4.120 -0.003 0.000 0.300 422 V C -0.964 175.202 176.094 0.121 0.000 1.251 422 V CA -1.008 61.387 62.300 0.158 0.000 0.972 422 V CB 2.015 33.947 31.823 0.180 0.000 1.065 422 V HN 0.651 nan 8.190 nan 0.000 0.431 423 R N 5.093 125.672 120.500 0.132 0.000 2.500 423 R HA 0.522 4.860 4.340 -0.003 0.000 0.275 423 R C -2.554 173.794 176.300 0.080 0.000 1.051 423 R CA -1.652 54.483 56.100 0.059 0.000 1.088 423 R CB 1.012 31.284 30.300 -0.047 0.000 1.063 423 R HN 0.487 nan 8.270 nan 0.000 0.511 424 P HA 0.003 nan 4.420 nan 0.000 0.271 424 P C -0.208 177.077 177.300 -0.025 0.000 1.218 424 P CA -0.121 62.991 63.100 0.021 0.000 0.780 424 P CB 0.608 32.315 31.700 0.011 0.000 0.901 425 D N 1.190 121.619 120.400 0.048 0.000 2.123 425 D HA -0.191 4.447 4.640 -0.003 0.000 0.196 425 D C 1.573 177.870 176.300 -0.004 0.000 0.992 425 D CA 1.377 55.416 54.000 0.066 0.000 0.833 425 D CB -0.202 40.767 40.800 0.283 0.000 0.954 425 D HN 0.601 nan 8.370 nan 0.000 0.455 426 E N 0.453 120.676 120.200 0.039 0.000 2.118 426 E HA -0.178 4.169 4.350 -0.003 0.000 0.195 426 E C 1.923 178.501 176.600 -0.036 0.000 0.992 426 E CA 1.057 57.479 56.400 0.037 0.000 0.804 426 E CB 0.028 29.752 29.700 0.040 0.000 0.741 426 E HN 0.183 nan 8.360 nan 0.000 0.458 427 A N 0.203 122.969 122.820 -0.091 0.000 1.969 427 A HA -0.096 4.222 4.320 -0.003 0.000 0.218 427 A C 2.271 179.729 177.584 -0.210 0.000 1.169 427 A CA 1.256 53.221 52.037 -0.120 0.000 0.635 427 A CB -0.206 18.728 19.000 -0.109 0.000 0.810 427 A HN 0.223 nan 8.150 nan 0.000 0.445 428 V N -2.060 117.618 119.914 -0.394 0.000 2.446 428 V HA -0.119 3.999 4.120 -0.003 0.000 0.244 428 V C 1.999 177.805 176.094 -0.481 0.000 1.039 428 V CA 1.369 63.307 62.300 -0.604 0.000 1.045 428 V CB -0.832 30.258 31.823 -1.223 0.000 0.681 428 V HN 0.645 nan 8.190 nan 0.000 0.459 429 Y N 0.566 120.805 120.300 -0.102 0.000 2.478 429 Y HA 0.544 5.092 4.550 -0.002 0.000 0.261 429 Y C 1.594 177.476 175.900 -0.029 0.000 1.127 429 Y CA 0.047 58.120 58.100 -0.046 0.000 1.288 429 Y CB -0.432 38.018 38.460 -0.017 0.000 1.084 429 Y HN 0.314 nan 8.280 nan 0.000 0.530 430 G N 1.549 110.396 108.800 0.078 0.000 2.645 430 G HA2 -0.218 3.740 3.960 -0.003 0.000 0.239 430 G HA3 -0.218 3.740 3.960 -0.003 0.000 0.239 430 G C -0.506 174.437 174.900 0.072 0.000 1.331 430 G CA -0.121 45.010 45.100 0.052 0.000 0.890 430 G HN 0.434 nan 8.290 nan 0.000 0.572 431 K N -1.221 119.208 120.400 0.049 0.000 2.556 431 K HA 0.730 5.047 4.320 -0.003 0.000 0.274 431 K C 0.649 177.267 176.600 0.030 0.000 0.966 431 K CA 0.085 56.398 56.287 0.044 0.000 0.865 431 K CB 1.514 34.039 32.500 0.041 0.000 1.444 431 K HN 2.673 nan 8.250 nan 0.000 0.433 432 G N 0.884 109.699 108.800 0.025 0.000 2.539 432 G HA2 -0.299 3.659 3.960 -0.003 0.000 0.256 432 G HA3 -0.299 3.659 3.960 -0.003 0.000 0.256 432 G C 0.749 175.657 174.900 0.015 0.000 1.233 432 G CA 0.458 45.569 45.100 0.017 0.000 0.936 432 G HN 1.280 nan 8.290 nan 0.000 0.571 433 A N -0.508 122.319 122.820 0.012 0.000 2.248 433 A HA 0.247 4.565 4.320 -0.003 0.000 0.210 433 A C 1.996 179.587 177.584 0.013 0.000 1.174 433 A CA 2.221 54.264 52.037 0.009 0.000 0.750 433 A CB -0.282 18.723 19.000 0.007 0.000 0.780 433 A HN 0.476 nan 8.150 nan 0.000 0.478 434 K N -0.546 119.865 120.400 0.017 0.000 2.360 434 K HA 0.094 4.412 4.320 -0.003 0.000 0.196 434 K C 0.675 177.294 176.600 0.032 0.000 1.049 434 K CA -0.119 56.181 56.287 0.021 0.000 1.049 434 K CB 0.101 32.612 32.500 0.019 0.000 0.881 434 K HN 0.487 nan 8.250 nan 0.000 0.542 435 R N 1.704 122.226 120.500 0.036 0.000 2.458 435 R HA 0.241 4.579 4.340 -0.003 0.000 0.303 435 R C -0.792 175.536 176.300 0.047 0.000 1.013 435 R CA 0.258 56.389 56.100 0.053 0.000 1.026 435 R CB 0.174 30.496 30.300 0.038 0.000 0.948 435 R HN 0.092 nan 8.270 nan 0.000 0.417 436 A N 3.486 126.356 122.820 0.083 0.000 2.601 436 A HA 0.377 4.695 4.320 -0.003 0.000 0.291 436 A C -1.370 176.304 177.584 0.150 0.000 1.075 436 A CA -0.765 51.315 52.037 0.073 0.000 0.671 436 A CB 1.579 20.610 19.000 0.052 0.000 1.277 436 A HN 0.423 nan 8.150 nan 0.000 0.417 437 V N 2.586 122.570 119.914 0.116 0.000 2.432 437 V HA 0.363 4.481 4.120 -0.003 0.000 0.271 437 V C -1.820 174.359 176.094 0.142 0.000 1.046 437 V CA -0.754 61.658 62.300 0.187 0.000 0.945 437 V CB 0.458 32.348 31.823 0.111 0.000 0.992 437 V HN 0.817 nan 8.190 nan 0.000 0.471 438 P HA 0.182 nan 4.420 nan 0.000 0.274 438 P C -0.263 177.065 177.300 0.046 0.000 1.260 438 P CA -0.551 62.583 63.100 0.056 0.000 0.793 438 P CB 0.395 32.094 31.700 -0.002 0.000 1.048 439 D N 0.224 120.635 120.400 0.018 0.000 2.364 439 D HA -0.078 4.560 4.640 -0.003 0.000 0.236 439 D C 1.276 177.575 176.300 -0.002 0.000 1.221 439 D CA 0.181 54.189 54.000 0.013 0.000 0.891 439 D CB 0.398 41.200 40.800 0.002 0.000 1.190 439 D HN 0.512 nan 8.370 nan 0.000 0.449 440 E N 0.745 120.942 120.200 -0.005 0.000 2.097 440 E HA -0.187 4.161 4.350 -0.003 0.000 0.196 440 E C -0.928 175.590 176.600 -0.136 0.000 1.000 440 E CA 1.218 57.584 56.400 -0.057 0.000 0.804 440 E CB -0.391 29.303 29.700 -0.010 0.000 0.740 440 E HN 0.259 nan 8.360 nan 0.000 0.454 441 P HA -0.169 nan 4.420 nan 0.000 0.215 441 P C 1.450 178.721 177.300 -0.050 0.000 1.157 441 P CA 1.218 64.290 63.100 -0.046 0.000 0.868 441 P CB 0.049 31.736 31.700 -0.021 0.000 0.788 442 V N -0.657 119.227 119.914 -0.051 0.000 2.358 442 V HA -0.197 3.920 4.120 -0.003 0.000 0.246 442 V C 2.390 178.443 176.094 -0.068 0.000 1.047 442 V CA 1.496 63.763 62.300 -0.054 0.000 1.035 442 V CB -1.252 30.535 31.823 -0.060 0.000 0.658 442 V HN 0.047 nan 8.190 nan 0.000 0.452 443 L N 1.061 122.242 121.223 -0.070 0.000 2.017 443 L HA -0.083 4.255 4.340 -0.003 0.000 0.208 443 L C 2.471 179.247 176.870 -0.157 0.000 1.073 443 L CA 2.445 57.270 54.840 -0.025 0.000 0.745 443 L CB -1.022 41.065 42.059 0.046 0.000 0.894 443 L HN 0.209 nan 8.230 nan 0.000 0.432 444 A N -0.580 121.946 122.820 -0.490 0.000 1.883 444 A HA -0.306 4.012 4.320 -0.003 0.000 0.217 444 A C 2.328 179.549 177.584 -0.605 0.000 1.186 444 A CA 1.955 53.434 52.037 -0.930 0.000 0.624 444 A CB -0.872 17.433 19.000 -1.158 0.000 0.822 444 A HN 0.666 nan 8.150 nan 0.000 0.444 445 E N -1.295 118.729 120.200 -0.294 0.000 2.110 445 E HA -0.291 4.057 4.350 -0.003 0.000 0.193 445 E C 1.895 178.430 176.600 -0.109 0.000 0.988 445 E CA 1.518 57.820 56.400 -0.163 0.000 0.804 445 E CB -0.285 29.462 29.700 0.078 0.000 0.745 445 E HN 0.767 nan 8.360 nan 0.000 0.458 446 H N 0.582 119.558 119.070 -0.156 0.000 2.321 446 H HA -0.056 4.497 4.556 -0.005 0.000 0.300 446 H C 1.957 177.236 175.328 -0.081 0.000 1.087 446 H CA 2.028 58.007 56.048 -0.116 0.000 1.319 446 H CB -0.294 29.378 29.762 -0.150 0.000 1.379 446 H HN 0.181 nan 8.280 nan 0.000 0.501 447 L N -0.586 120.543 121.223 -0.157 0.000 2.083 447 L HA -0.141 4.197 4.340 -0.003 0.000 0.209 447 L C 2.540 179.321 176.870 -0.148 0.000 1.083 447 L CA 1.044 55.800 54.840 -0.140 0.000 0.752 447 L CB -0.500 41.608 42.059 0.082 0.000 0.899 447 L HN 0.207 nan 8.230 nan 0.000 0.433 448 V N -0.137 119.644 119.914 -0.221 0.000 2.358 448 V HA -0.231 3.887 4.120 -0.003 0.000 0.246 448 V C 2.608 178.630 176.094 -0.120 0.000 1.047 448 V CA 1.584 63.746 62.300 -0.231 0.000 1.035 448 V CB -0.559 30.948 31.823 -0.525 0.000 0.658 448 V HN 0.399 nan 8.190 nan 0.000 0.452 449 R N -0.128 120.310 120.500 -0.103 0.000 2.120 449 R HA -0.113 4.225 4.340 -0.003 0.000 0.234 449 R C 2.391 178.674 176.300 -0.028 0.000 1.123 449 R CA 1.151 57.245 56.100 -0.009 0.000 0.975 449 R CB -0.208 30.113 30.300 0.036 0.000 0.866 449 R HN 0.498 nan 8.270 nan 0.000 0.446 450 K N 0.074 120.388 120.400 -0.143 0.000 2.057 450 K HA -0.034 4.284 4.320 -0.003 0.000 0.206 450 K C 2.136 178.703 176.600 -0.056 0.000 1.050 450 K CA 1.210 57.407 56.287 -0.149 0.000 0.935 450 K CB -0.074 32.264 32.500 -0.269 0.000 0.715 450 K HN 0.115 nan 8.250 nan 0.000 0.439 451 A N 1.692 124.495 122.820 -0.028 0.000 1.902 451 A HA -0.104 4.214 4.320 -0.003 0.000 0.217 451 A C 2.385 180.018 177.584 0.081 0.000 1.181 451 A CA 1.827 53.887 52.037 0.040 0.000 0.623 451 A CB -0.578 18.439 19.000 0.027 0.000 0.818 451 A HN 0.324 nan 8.150 nan 0.000 0.443 452 A N -0.167 122.687 122.820 0.057 0.000 1.933 452 A HA 0.184 4.502 4.320 -0.003 0.000 0.218 452 A C 2.486 180.136 177.584 0.110 0.000 1.175 452 A CA 1.988 54.100 52.037 0.124 0.000 0.628 452 A CB -0.942 18.136 19.000 0.130 0.000 0.814 452 A HN 1.011 nan 8.150 nan 0.000 0.444 453 A N 0.045 122.849 122.820 -0.026 0.000 1.902 453 A HA -0.076 4.242 4.320 -0.003 0.000 0.217 453 A C 2.109 179.571 177.584 -0.204 0.000 1.181 453 A CA 1.505 53.324 52.037 -0.364 0.000 0.623 453 A CB -0.614 18.192 19.000 -0.324 0.000 0.818 453 A HN 0.491 nan 8.150 nan 0.000 0.443 454 I N -1.735 118.824 120.570 -0.018 0.000 2.226 454 I HA -0.292 3.875 4.170 -0.003 0.000 0.245 454 I C 2.530 178.725 176.117 0.130 0.000 1.100 454 I CA 1.442 62.793 61.300 0.085 0.000 1.374 454 I CB -0.357 37.744 38.000 0.168 0.000 1.057 454 I HN 0.707 nan 8.210 nan 0.000 0.413 455 W N 2.166 123.449 121.300 -0.027 0.000 2.338 455 W HA -0.288 4.367 4.660 -0.008 0.000 0.304 455 W C 2.402 178.893 176.519 -0.047 0.000 1.212 455 W CA 2.126 59.460 57.345 -0.018 0.000 1.264 455 W CB 0.020 29.488 29.460 0.012 0.000 1.142 455 W HN 0.193 nan 8.180 nan 0.000 0.512 456 E N 0.558 120.780 120.200 0.036 0.000 2.158 456 E HA -0.142 4.206 4.350 -0.003 0.000 0.191 456 E C 2.148 178.690 176.600 -0.096 0.000 0.982 456 E CA 1.400 57.769 56.400 -0.051 0.000 0.823 456 E CB -0.842 28.887 29.700 0.049 0.000 0.766 456 E HN 0.331 nan 8.360 nan 0.000 0.468 457 L N 0.436 121.596 121.223 -0.104 0.000 2.418 457 L HA 0.105 4.443 4.340 -0.003 0.000 0.218 457 L C 2.423 179.288 176.870 -0.008 0.000 1.125 457 L CA 0.622 55.472 54.840 0.018 0.000 0.835 457 L CB -0.301 41.767 42.059 0.014 0.000 0.953 457 L HN 0.241 nan 8.230 nan 0.000 0.454 458 E N 0.890 120.914 120.200 -0.294 0.000 2.049 458 E HA -0.322 4.026 4.350 -0.003 0.000 0.198 458 E C 2.282 178.589 176.600 -0.487 0.000 1.007 458 E CA 1.543 57.465 56.400 -0.798 0.000 0.809 458 E CB 0.109 29.284 29.700 -0.876 0.000 0.749 458 E HN 0.169 nan 8.360 nan 0.000 0.450 459 R N 0.725 121.041 120.500 -0.307 0.000 2.080 459 R HA -0.094 4.244 4.340 -0.003 0.000 0.236 459 R C -0.812 175.442 176.300 -0.077 0.000 1.137 459 R CA 2.265 58.251 56.100 -0.191 0.000 0.943 459 R CB -1.481 28.715 30.300 -0.173 0.000 0.846 459 R HN 0.314 nan 8.270 nan 0.000 0.431 460 P HA -0.133 nan 4.420 nan 0.000 0.217 460 P C 1.178 178.482 177.300 0.006 0.000 1.150 460 P CA 1.278 64.378 63.100 -0.001 0.000 0.832 460 P CB -0.188 31.523 31.700 0.019 0.000 0.787 461 F N -0.121 119.820 119.950 -0.016 0.000 2.146 461 F HA -0.062 4.462 4.527 -0.005 0.000 0.298 461 F C 2.628 178.470 175.800 0.069 0.000 1.096 461 F CA 1.182 59.230 58.000 0.079 0.000 1.275 461 F CB -1.247 37.903 39.000 0.251 0.000 1.008 461 F HN -0.260 nan 8.300 nan 0.000 0.480 462 L N -0.513 120.811 121.223 0.169 0.000 2.083 462 L HA -0.224 4.114 4.340 -0.003 0.000 0.209 462 L C 2.022 178.916 176.870 0.040 0.000 1.083 462 L CA 1.099 55.997 54.840 0.096 0.000 0.752 462 L CB -0.626 41.418 42.059 -0.026 0.000 0.899 462 L HN 0.066 nan 8.230 nan 0.000 0.433 463 D N -0.172 120.229 120.400 0.001 0.000 2.097 463 D HA -0.226 4.412 4.640 -0.003 0.000 0.195 463 D C 2.046 178.333 176.300 -0.021 0.000 0.989 463 D CA 1.198 55.187 54.000 -0.019 0.000 0.827 463 D CB 0.025 40.804 40.800 -0.035 0.000 0.966 463 D HN 0.351 nan 8.370 nan 0.000 0.456 464 E N 0.104 120.282 120.200 -0.036 0.000 2.106 464 E HA -0.099 4.248 4.350 -0.003 0.000 0.192 464 E C 2.315 178.901 176.600 -0.023 0.000 0.984 464 E CA 0.294 56.661 56.400 -0.054 0.000 0.806 464 E CB -0.019 29.610 29.700 -0.118 0.000 0.750 464 E HN 0.199 nan 8.360 nan 0.000 0.458 465 L N 0.516 121.752 121.223 0.021 0.000 2.046 465 L HA -0.189 4.149 4.340 -0.003 0.000 0.208 465 L C 2.876 179.754 176.870 0.013 0.000 1.077 465 L CA 0.854 55.717 54.840 0.038 0.000 0.747 465 L CB -0.403 41.716 42.059 0.100 0.000 0.896 465 L HN 0.083 nan 8.230 nan 0.000 0.432 466 R N 0.573 121.080 120.500 0.012 0.000 2.081 466 R HA -0.121 4.217 4.340 -0.003 0.000 0.235 466 R C 2.340 178.628 176.300 -0.021 0.000 1.131 466 R CA 1.519 57.618 56.100 -0.001 0.000 0.960 466 R CB -0.380 29.919 30.300 -0.003 0.000 0.856 466 R HN 0.357 nan 8.270 nan 0.000 0.436 467 R N 0.061 120.545 120.500 -0.025 0.000 2.096 467 R HA -0.055 4.283 4.340 -0.003 0.000 0.235 467 R C 1.492 177.764 176.300 -0.048 0.000 1.127 467 R CA 1.306 57.386 56.100 -0.033 0.000 0.968 467 R CB -0.231 30.051 30.300 -0.031 0.000 0.861 467 R HN 0.187 nan 8.270 nan 0.000 0.440 468 N N 0.839 119.505 118.700 -0.057 0.000 2.461 468 N HA -0.054 4.684 4.740 -0.003 0.000 0.188 468 N C -0.426 175.021 175.510 -0.105 0.000 1.134 468 N CA 0.428 53.424 53.050 -0.090 0.000 0.878 468 N CB 0.177 38.605 38.487 -0.098 0.000 0.972 468 N HN 0.188 nan 8.380 nan 0.000 0.456 469 E N -0.651 119.495 120.200 -0.089 0.000 2.637 469 E HA -0.259 4.089 4.350 -0.003 0.000 0.265 469 E C -0.294 176.287 176.600 -0.031 0.000 1.073 469 E CA 0.307 56.635 56.400 -0.120 0.000 0.778 469 E CB -1.599 27.906 29.700 -0.326 0.000 1.362 469 E HN 0.562 nan 8.360 nan 0.000 0.413 470 Q N -0.405 119.400 119.800 0.010 0.000 2.179 470 Q HA -0.004 4.334 4.340 -0.003 0.000 0.213 470 Q C 1.352 177.388 176.000 0.061 0.000 0.833 470 Q CA 0.235 56.071 55.803 0.054 0.000 0.990 470 Q CB 0.466 29.220 28.738 0.026 0.000 1.132 470 Q HN 0.343 nan 8.270 nan 0.000 0.493 471 D N 1.067 121.499 120.400 0.054 0.000 2.117 471 D HA -0.207 4.431 4.640 -0.003 0.000 0.197 471 D C 1.520 177.856 176.300 0.060 0.000 0.987 471 D CA 0.997 55.034 54.000 0.060 0.000 0.829 471 D CB -0.090 40.737 40.800 0.045 0.000 0.961 471 D HN 0.183 nan 8.370 nan 0.000 0.460 472 R N -0.296 120.240 120.500 0.060 0.000 2.115 472 R HA 0.041 4.379 4.340 -0.003 0.000 0.226 472 R C 2.435 178.760 176.300 0.041 0.000 1.100 472 R CA 0.250 56.379 56.100 0.049 0.000 0.980 472 R CB -0.346 29.986 30.300 0.052 0.000 0.875 472 R HN 0.139 nan 8.270 nan 0.000 0.445 473 L N 1.168 122.422 121.223 0.053 0.000 2.042 473 L HA -0.151 4.187 4.340 -0.003 0.000 0.210 473 L C 1.993 178.881 176.870 0.031 0.000 1.076 473 L CA 1.529 56.389 54.840 0.034 0.000 0.749 473 L CB -0.465 41.619 42.059 0.041 0.000 0.893 473 L HN 0.130 nan 8.230 nan 0.000 0.432 474 L N -1.544 119.705 121.223 0.043 0.000 2.007 474 L HA -0.082 4.256 4.340 -0.003 0.000 0.205 474 L C 2.272 179.157 176.870 0.025 0.000 1.073 474 L CA 1.801 56.664 54.840 0.037 0.000 0.744 474 L CB -0.618 41.480 42.059 0.064 0.000 0.898 474 L HN 0.061 nan 8.230 nan 0.000 0.435 475 V N -0.452 119.484 119.914 0.037 0.000 2.453 475 V HA -0.171 3.947 4.120 -0.003 0.000 0.247 475 V C 2.195 178.295 176.094 0.011 0.000 1.048 475 V CA 1.911 64.228 62.300 0.028 0.000 1.049 475 V CB -0.589 31.257 31.823 0.039 0.000 0.672 475 V HN 0.501 nan 8.190 nan 0.000 0.457 476 E N -1.178 119.029 120.200 0.010 0.000 2.460 476 E HA 0.124 4.472 4.350 -0.003 0.000 0.200 476 E C 1.539 178.135 176.600 -0.006 0.000 1.011 476 E CA 0.167 56.567 56.400 0.000 0.000 0.912 476 E CB 0.686 30.387 29.700 0.002 0.000 0.953 476 E HN 0.430 nan 8.360 nan 0.000 0.494 477 L N 0.040 121.261 121.223 -0.003 0.000 2.862 477 L HA 0.122 4.460 4.340 -0.003 0.000 0.169 477 L C 1.743 178.610 176.870 -0.005 0.000 1.164 477 L CA 0.517 55.353 54.840 -0.007 0.000 0.858 477 L CB 0.248 42.303 42.059 -0.007 0.000 1.329 477 L HN -0.216 nan 8.230 nan 0.000 0.514 478 E N 0.157 120.361 120.200 0.005 0.000 2.051 478 E HA -0.245 4.103 4.350 -0.003 0.000 0.192 478 E C 2.015 178.602 176.600 -0.022 0.000 0.991 478 E CA 1.566 57.970 56.400 0.006 0.000 0.799 478 E CB -0.240 29.481 29.700 0.035 0.000 0.748 478 E HN 0.605 nan 8.360 nan 0.000 0.449 479 Q N -0.308 119.474 119.800 -0.030 0.000 2.079 479 Q HA -0.090 4.248 4.340 -0.003 0.000 0.200 479 Q C -0.571 175.403 176.000 -0.043 0.000 0.974 479 Q CA 1.322 57.095 55.803 -0.050 0.000 0.840 479 Q CB -0.777 27.931 28.738 -0.049 0.000 0.898 479 Q HN 0.240 nan 8.270 nan 0.000 0.430 480 P HA -0.143 nan 4.420 nan 0.000 0.219 480 P C 1.206 178.487 177.300 -0.032 0.000 1.150 480 P CA 0.804 63.885 63.100 -0.032 0.000 0.814 480 P CB 0.039 31.724 31.700 -0.026 0.000 0.787 481 L N -0.536 120.669 121.223 -0.030 0.000 2.093 481 L HA -0.089 4.249 4.340 -0.003 0.000 0.208 481 L C 2.375 179.225 176.870 -0.034 0.000 1.085 481 L CA 1.851 56.671 54.840 -0.033 0.000 0.755 481 L CB -1.503 40.538 42.059 -0.030 0.000 0.904 481 L HN -0.100 nan 8.230 nan 0.000 0.435 482 S N -1.297 114.380 115.700 -0.037 0.000 2.370 482 S HA -0.212 4.256 4.470 -0.003 0.000 0.226 482 S C 2.091 176.675 174.600 -0.027 0.000 1.033 482 S CA 1.787 59.965 58.200 -0.037 0.000 1.011 482 S CB -0.382 62.778 63.200 -0.067 0.000 0.852 482 S HN 0.668 nan 8.310 nan 0.000 0.457 483 S N 0.989 116.667 115.700 -0.037 0.000 2.383 483 S HA 0.094 4.562 4.470 -0.003 0.000 0.227 483 S C 1.725 176.318 174.600 -0.011 0.000 1.026 483 S CA 1.213 59.392 58.200 -0.034 0.000 0.981 483 S CB -0.355 62.818 63.200 -0.046 0.000 0.818 483 S HN 0.541 nan 8.310 nan 0.000 0.472 484 I N 1.284 121.847 120.570 -0.011 0.000 2.252 484 I HA -0.140 4.028 4.170 -0.003 0.000 0.245 484 I C 1.959 178.090 176.117 0.023 0.000 1.102 484 I CA 0.993 62.292 61.300 -0.002 0.000 1.385 484 I CB -0.327 37.660 38.000 -0.021 0.000 1.064 484 I HN 0.231 nan 8.210 nan 0.000 0.414 485 L N 0.518 121.754 121.223 0.021 0.000 2.083 485 L HA -0.182 4.156 4.340 -0.003 0.000 0.209 485 L C 2.877 179.867 176.870 0.201 0.000 1.083 485 L CA 1.212 56.104 54.840 0.087 0.000 0.752 485 L CB -0.748 41.360 42.059 0.081 0.000 0.899 485 L HN 0.232 nan 8.230 nan 0.000 0.433 486 A N 0.122 123.023 122.820 0.136 0.000 1.908 486 A HA -0.235 4.083 4.320 -0.003 0.000 0.218 486 A C 2.172 179.873 177.584 0.195 0.000 1.181 486 A CA 1.785 53.914 52.037 0.154 0.000 0.627 486 A CB -0.430 18.590 19.000 0.033 0.000 0.818 486 A HN 0.469 nan 8.150 nan 0.000 0.445 487 E N -0.711 119.566 120.200 0.128 0.000 2.077 487 E HA -0.188 4.160 4.350 -0.003 0.000 0.193 487 E C 2.118 178.818 176.600 0.166 0.000 0.989 487 E CA 1.498 57.977 56.400 0.132 0.000 0.800 487 E CB -0.294 29.440 29.700 0.057 0.000 0.746 487 E HN 0.680 nan 8.360 nan 0.000 0.452 488 M N 0.647 120.348 119.600 0.169 0.000 2.086 488 M HA -0.194 4.284 4.480 -0.003 0.000 0.261 488 M C 2.107 178.573 176.300 0.277 0.000 1.067 488 M CA 1.603 57.020 55.300 0.196 0.000 1.116 488 M CB -0.229 32.508 32.600 0.227 0.000 1.348 488 M HN 0.048 nan 8.290 nan 0.000 0.407 489 E N -0.173 120.266 120.200 0.400 0.000 2.051 489 E HA -0.208 4.140 4.350 -0.003 0.000 0.192 489 E C 1.835 178.764 176.600 0.548 0.000 0.991 489 E CA 1.310 57.998 56.400 0.480 0.000 0.799 489 E CB -0.301 29.775 29.700 0.625 0.000 0.748 489 E HN 0.391 nan 8.360 nan 0.000 0.449 490 F N 1.586 121.728 119.950 0.320 0.000 2.171 490 F HA -0.135 4.390 4.527 -0.003 0.000 0.300 490 F C 2.178 178.009 175.800 0.051 0.000 1.090 490 F CA 1.256 59.329 58.000 0.121 0.000 1.293 490 F CB -0.415 38.541 39.000 -0.075 0.000 1.013 490 F HN -0.061 nan 8.300 nan 0.000 0.486 491 A N 0.249 123.031 122.820 -0.063 0.000 1.877 491 A HA 0.271 4.589 4.320 -0.003 0.000 0.216 491 A C 1.719 179.193 177.584 -0.183 0.000 1.186 491 A CA 1.378 53.273 52.037 -0.235 0.000 0.620 491 A CB -1.550 17.310 19.000 -0.233 0.000 0.822 491 A HN 1.034 nan 8.150 nan 0.000 0.443 492 G N -2.606 106.127 108.800 -0.113 0.000 2.855 492 G HA2 0.023 3.981 3.960 -0.003 0.000 0.352 492 G HA3 0.023 3.981 3.960 -0.003 0.000 0.352 492 G C -0.493 174.281 174.900 -0.211 0.000 1.415 492 G CA -0.328 44.551 45.100 -0.367 0.000 0.871 492 G HN 1.185 nan 8.290 nan 0.000 0.543 493 V N 0.507 120.304 119.914 -0.195 0.000 2.540 493 V HA 0.586 4.704 4.120 -0.003 0.000 0.302 493 V C 0.448 176.513 176.094 -0.047 0.000 1.035 493 V CA -0.757 61.521 62.300 -0.036 0.000 0.873 493 V CB 1.738 33.622 31.823 0.101 0.000 0.992 493 V HN 0.978 nan 8.190 nan 0.000 0.428 494 K N 3.103 123.485 120.400 -0.029 0.000 2.350 494 K HA 0.473 4.791 4.320 -0.003 0.000 0.279 494 K C -0.869 175.693 176.600 -0.063 0.000 1.027 494 K CA 0.104 56.357 56.287 -0.056 0.000 0.969 494 K CB 0.978 33.449 32.500 -0.048 0.000 0.954 494 K HN 0.482 nan 8.250 nan 0.000 0.474 495 V N 3.729 123.567 119.914 -0.126 0.000 2.555 495 V HA 0.160 4.278 4.120 -0.003 0.000 0.302 495 V C -0.685 175.319 176.094 -0.150 0.000 1.038 495 V CA -0.898 61.267 62.300 -0.224 0.000 0.887 495 V CB 1.744 33.395 31.823 -0.288 0.000 0.991 495 V HN 0.799 nan 8.190 nan 0.000 0.434 496 D N 3.086 123.398 120.400 -0.147 0.000 2.483 496 D HA 0.090 4.728 4.640 -0.003 0.000 0.220 496 D C 1.490 177.730 176.300 -0.100 0.000 1.173 496 D CA 0.245 54.191 54.000 -0.091 0.000 0.964 496 D CB 1.264 42.028 40.800 -0.061 0.000 1.046 496 D HN 0.764 nan 8.370 nan 0.000 0.517 497 T N 0.907 115.409 114.554 -0.087 0.000 2.833 497 T HA -0.142 4.205 4.350 -0.003 0.000 0.269 497 T C 1.667 176.333 174.700 -0.056 0.000 1.054 497 T CA 0.643 62.697 62.100 -0.075 0.000 1.135 497 T CB 0.127 68.959 68.868 -0.060 0.000 0.869 497 T HN 0.133 nan 8.240 nan 0.000 0.466 498 K N 1.049 121.421 120.400 -0.047 0.000 2.026 498 K HA 0.013 4.331 4.320 -0.003 0.000 0.208 498 K C 2.563 179.139 176.600 -0.040 0.000 1.048 498 K CA 1.365 57.629 56.287 -0.037 0.000 0.929 498 K CB -0.392 32.089 32.500 -0.031 0.000 0.713 498 K HN 0.305 nan 8.250 nan 0.000 0.439 499 R N 1.448 121.920 120.500 -0.046 0.000 2.073 499 R HA -0.011 4.327 4.340 -0.003 0.000 0.234 499 R C 2.344 178.615 176.300 -0.049 0.000 1.134 499 R CA 1.097 57.168 56.100 -0.048 0.000 0.952 499 R CB -0.690 29.578 30.300 -0.053 0.000 0.850 499 R HN 0.124 nan 8.270 nan 0.000 0.433 500 L N 0.151 121.340 121.223 -0.058 0.000 2.042 500 L HA -0.191 4.147 4.340 -0.003 0.000 0.210 500 L C 2.271 179.120 176.870 -0.035 0.000 1.076 500 L CA 1.870 56.681 54.840 -0.049 0.000 0.749 500 L CB -0.411 41.608 42.059 -0.066 0.000 0.893 500 L HN 0.374 nan 8.230 nan 0.000 0.432 501 E N -0.739 119.439 120.200 -0.036 0.000 2.110 501 E HA -0.287 4.060 4.350 -0.003 0.000 0.193 501 E C 2.080 178.665 176.600 -0.025 0.000 0.988 501 E CA 1.004 57.387 56.400 -0.028 0.000 0.804 501 E CB 0.027 29.711 29.700 -0.027 0.000 0.745 501 E HN 0.316 nan 8.360 nan 0.000 0.458 502 Q N 0.565 120.348 119.800 -0.028 0.000 2.119 502 Q HA -0.095 4.242 4.340 -0.003 0.000 0.201 502 Q C 1.902 177.886 176.000 -0.026 0.000 0.972 502 Q CA 1.496 57.283 55.803 -0.026 0.000 0.847 502 Q CB -0.002 28.719 28.738 -0.029 0.000 0.903 502 Q HN 0.263 nan 8.270 nan 0.000 0.433 503 M N -1.190 118.393 119.600 -0.028 0.000 2.132 503 M HA -0.039 4.439 4.480 -0.003 0.000 0.263 503 M C 2.064 178.352 176.300 -0.020 0.000 1.065 503 M CA 1.512 56.797 55.300 -0.025 0.000 1.122 503 M CB -0.580 32.005 32.600 -0.024 0.000 1.365 503 M HN 0.410 nan 8.290 nan 0.000 0.411 504 G N 0.513 109.302 108.800 -0.018 0.000 2.442 504 G HA2 -0.257 3.701 3.960 -0.003 0.000 0.219 504 G HA3 -0.257 3.701 3.960 -0.003 0.000 0.219 504 G C 1.557 176.445 174.900 -0.020 0.000 1.141 504 G CA 1.116 46.205 45.100 -0.018 0.000 0.763 504 G HN 0.420 nan 8.290 nan 0.000 0.554 505 K N 0.417 120.805 120.400 -0.019 0.000 2.057 505 K HA -0.106 4.212 4.320 -0.003 0.000 0.207 505 K C 2.381 178.970 176.600 -0.017 0.000 1.049 505 K CA 1.580 57.856 56.287 -0.017 0.000 0.931 505 K CB -0.173 32.318 32.500 -0.016 0.000 0.714 505 K HN 0.415 nan 8.250 nan 0.000 0.440 506 E N 0.600 120.789 120.200 -0.018 0.000 2.031 506 E HA -0.171 4.176 4.350 -0.003 0.000 0.193 506 E C 2.120 178.707 176.600 -0.022 0.000 0.994 506 E CA 1.314 57.704 56.400 -0.017 0.000 0.800 506 E CB -0.060 29.629 29.700 -0.017 0.000 0.752 506 E HN 0.270 nan 8.360 nan 0.000 0.447 507 L N 0.532 121.739 121.223 -0.027 0.000 2.046 507 L HA -0.209 4.129 4.340 -0.003 0.000 0.208 507 L C 2.578 179.419 176.870 -0.049 0.000 1.077 507 L CA 0.937 55.751 54.840 -0.043 0.000 0.747 507 L CB -0.510 41.522 42.059 -0.045 0.000 0.896 507 L HN 0.182 nan 8.230 nan 0.000 0.432 508 A N -0.142 122.656 122.820 -0.035 0.000 1.908 508 A HA -0.295 4.023 4.320 -0.003 0.000 0.218 508 A C 2.260 179.831 177.584 -0.021 0.000 1.181 508 A CA 2.146 54.166 52.037 -0.028 0.000 0.627 508 A CB -0.525 18.464 19.000 -0.019 0.000 0.818 508 A HN 0.522 nan 8.150 nan 0.000 0.445 509 E N -0.499 119.690 120.200 -0.019 0.000 2.072 509 E HA -0.220 4.128 4.350 -0.003 0.000 0.190 509 E C 2.170 178.759 176.600 -0.017 0.000 0.982 509 E CA 1.189 57.581 56.400 -0.013 0.000 0.803 509 E CB -0.174 29.521 29.700 -0.009 0.000 0.755 509 E HN 0.765 nan 8.360 nan 0.000 0.453 510 Q N 0.201 119.984 119.800 -0.028 0.000 2.119 510 Q HA -0.123 4.215 4.340 -0.003 0.000 0.201 510 Q C 2.409 178.367 176.000 -0.071 0.000 0.972 510 Q CA 1.077 56.855 55.803 -0.042 0.000 0.847 510 Q CB -0.004 28.703 28.738 -0.052 0.000 0.903 510 Q HN 0.362 nan 8.270 nan 0.000 0.433 511 L N -0.179 121.002 121.223 -0.071 0.000 2.093 511 L HA -0.113 4.225 4.340 -0.003 0.000 0.208 511 L C 2.352 179.231 176.870 0.015 0.000 1.085 511 L CA 1.068 55.883 54.840 -0.042 0.000 0.755 511 L CB -0.630 41.392 42.059 -0.062 0.000 0.904 511 L HN 0.341 nan 8.230 nan 0.000 0.435 512 G N -1.138 107.662 108.800 -0.001 0.000 2.422 512 G HA2 -0.219 3.739 3.960 -0.003 0.000 0.218 512 G HA3 -0.219 3.739 3.960 -0.003 0.000 0.218 512 G C 1.559 176.449 174.900 -0.017 0.000 1.146 512 G CA 1.219 46.320 45.100 0.002 0.000 0.769 512 G HN 0.272 nan 8.290 nan 0.000 0.547 513 T N 0.782 115.326 114.554 -0.016 0.000 2.737 513 T HA -0.082 4.266 4.350 -0.003 0.000 0.265 513 T C 2.588 177.267 174.700 -0.035 0.000 1.038 513 T CA 1.238 63.329 62.100 -0.015 0.000 1.144 513 T CB -0.253 68.616 68.868 0.001 0.000 0.866 513 T HN 0.060 nan 8.240 nan 0.000 0.434 514 V N 1.533 121.425 119.914 -0.036 0.000 2.358 514 V HA -0.153 3.965 4.120 -0.003 0.000 0.246 514 V C 2.525 178.520 176.094 -0.164 0.000 1.047 514 V CA 1.746 64.019 62.300 -0.045 0.000 1.035 514 V CB -0.614 31.197 31.823 -0.019 0.000 0.658 514 V HN 0.545 nan 8.190 nan 0.000 0.452 515 E N -0.043 120.038 120.200 -0.199 0.000 2.058 515 E HA -0.340 4.008 4.350 -0.003 0.000 0.194 515 E C 2.280 178.460 176.600 -0.700 0.000 0.997 515 E CA 1.820 57.913 56.400 -0.513 0.000 0.801 515 E CB -0.056 29.469 29.700 -0.292 0.000 0.746 515 E HN 0.523 nan 8.360 nan 0.000 0.450 516 Q N 0.479 120.096 119.800 -0.306 0.000 2.119 516 Q HA -0.149 4.189 4.340 -0.003 0.000 0.201 516 Q C 2.025 177.954 176.000 -0.119 0.000 0.972 516 Q CA 1.604 57.326 55.803 -0.134 0.000 0.847 516 Q CB -0.190 28.547 28.738 -0.002 0.000 0.903 516 Q HN 0.049 nan 8.270 nan 0.000 0.433 517 R N 0.010 120.437 120.500 -0.122 0.000 2.120 517 R HA -0.003 4.335 4.340 -0.003 0.000 0.234 517 R C 1.816 178.070 176.300 -0.076 0.000 1.123 517 R CA 1.318 57.383 56.100 -0.059 0.000 0.975 517 R CB -0.552 29.730 30.300 -0.030 0.000 0.866 517 R HN 0.402 nan 8.270 nan 0.000 0.446 518 I N -0.351 120.088 120.570 -0.220 0.000 2.252 518 I HA -0.264 3.904 4.170 -0.003 0.000 0.245 518 I C 1.468 177.564 176.117 -0.035 0.000 1.102 518 I CA 1.124 62.303 61.300 -0.202 0.000 1.385 518 I CB -0.339 37.395 38.000 -0.445 0.000 1.064 518 I HN 0.135 nan 8.210 nan 0.000 0.414 519 Y N 0.786 121.083 120.300 -0.005 0.000 2.293 519 Y HA -0.212 4.336 4.550 -0.004 0.000 0.291 519 Y C 2.514 178.452 175.900 0.064 0.000 1.137 519 Y CA 1.045 59.183 58.100 0.064 0.000 1.202 519 Y CB -0.905 37.558 38.460 0.005 0.000 0.990 519 Y HN 0.201 nan 8.280 nan 0.000 0.537 520 E N 0.741 121.041 120.200 0.168 0.000 2.051 520 E HA -0.146 4.202 4.350 -0.003 0.000 0.192 520 E C 1.858 178.524 176.600 0.109 0.000 0.991 520 E CA 1.438 57.906 56.400 0.113 0.000 0.799 520 E CB -0.535 29.207 29.700 0.070 0.000 0.748 520 E HN 0.467 nan 8.360 nan 0.000 0.449 521 L N -0.377 120.913 121.223 0.112 0.000 2.217 521 L HA 0.060 4.398 4.340 -0.003 0.000 0.211 521 L C 2.320 179.267 176.870 0.130 0.000 1.107 521 L CA 0.837 55.769 54.840 0.152 0.000 0.783 521 L CB -0.337 41.836 42.059 0.190 0.000 0.919 521 L HN 0.200 nan 8.230 nan 0.000 0.442 522 A N -0.453 122.437 122.820 0.116 0.000 2.081 522 A HA 0.270 4.588 4.320 -0.003 0.000 0.214 522 A C 1.850 179.462 177.584 0.048 0.000 1.158 522 A CA 0.816 52.886 52.037 0.055 0.000 0.724 522 A CB -0.267 18.838 19.000 0.175 0.000 0.826 522 A HN 0.468 nan 8.150 nan 0.000 0.463 523 G N -0.959 107.898 108.800 0.095 0.000 2.148 523 G HA2 -0.228 3.730 3.960 -0.003 0.000 0.254 523 G HA3 -0.228 3.730 3.960 -0.003 0.000 0.254 523 G C -0.055 174.880 174.900 0.058 0.000 0.981 523 G CA 0.833 45.971 45.100 0.064 0.000 0.670 523 G HN 1.594 nan 8.290 nan 0.000 0.528 524 Q N -1.755 118.111 119.800 0.111 0.000 2.776 524 Q HA 0.560 4.897 4.340 -0.003 0.000 0.289 524 Q C -1.387 174.704 176.000 0.151 0.000 0.912 524 Q CA -1.053 54.796 55.803 0.076 0.000 0.789 524 Q CB 0.675 29.426 28.738 0.022 0.000 1.498 524 Q HN 0.282 nan 8.270 nan 0.000 0.408 525 E N 1.001 121.143 120.200 -0.096 0.000 2.231 525 E HA 0.678 5.026 4.350 -0.003 0.000 0.277 525 E C -0.899 175.685 176.600 -0.027 0.000 0.999 525 E CA -0.454 55.620 56.400 -0.544 0.000 0.827 525 E CB 1.042 30.237 29.700 -0.841 0.000 1.101 525 E HN 0.452 nan 8.360 nan 0.000 0.393 526 F N -0.967 118.843 119.950 -0.235 0.000 2.817 526 F HA 0.325 4.850 4.527 -0.004 0.000 0.317 526 F C -1.024 174.820 175.800 0.072 0.000 1.168 526 F CA -1.463 56.514 58.000 -0.038 0.000 0.911 526 F CB 0.748 39.751 39.000 0.006 0.000 1.337 526 F HN 0.163 nan 8.300 nan 0.000 0.464 527 N N 2.019 120.770 118.700 0.085 0.000 2.482 527 N HA 0.240 4.978 4.740 -0.003 0.000 0.242 527 N C 0.902 176.403 175.510 -0.015 0.000 1.100 527 N CA -0.007 53.044 53.050 0.003 0.000 0.946 527 N CB 0.392 38.922 38.487 0.072 0.000 1.227 527 N HN 0.791 nan 8.380 nan 0.000 0.508 528 I N 1.869 122.272 120.570 -0.278 0.000 2.423 528 I HA -0.271 3.897 4.170 -0.003 0.000 0.254 528 I C 1.326 177.487 176.117 0.074 0.000 1.151 528 I CA 0.736 61.902 61.300 -0.223 0.000 1.421 528 I CB -0.124 37.511 38.000 -0.609 0.000 1.079 528 I HN 0.428 nan 8.210 nan 0.000 0.431 529 N N 0.309 119.079 118.700 0.118 0.000 2.461 529 N HA -0.040 4.698 4.740 -0.003 0.000 0.188 529 N C 0.742 176.324 175.510 0.120 0.000 1.134 529 N CA 0.343 53.481 53.050 0.146 0.000 0.878 529 N CB 0.194 38.760 38.487 0.131 0.000 0.972 529 N HN 0.120 nan 8.380 nan 0.000 0.456 530 S N 1.634 117.413 115.700 0.131 0.000 2.415 530 S HA 0.310 4.778 4.470 -0.003 0.000 0.313 530 S C -1.712 172.981 174.600 0.155 0.000 1.067 530 S CA -1.720 56.559 58.200 0.131 0.000 1.099 530 S CB 1.212 64.491 63.200 0.131 0.000 0.991 530 S HN -0.112 nan 8.310 nan 0.000 0.491 531 P HA -0.149 nan 4.420 nan 0.000 0.217 531 P C 1.234 178.643 177.300 0.182 0.000 1.148 531 P CA 0.969 64.166 63.100 0.162 0.000 0.828 531 P CB 0.209 31.990 31.700 0.134 0.000 0.783 532 K N -0.192 120.296 120.400 0.146 0.000 2.031 532 K HA -0.145 4.173 4.320 -0.003 0.000 0.205 532 K C 2.119 178.810 176.600 0.151 0.000 1.049 532 K CA 1.265 57.635 56.287 0.138 0.000 0.939 532 K CB -0.209 32.345 32.500 0.089 0.000 0.717 532 K HN 0.095 nan 8.250 nan 0.000 0.438 533 Q N 0.384 120.274 119.800 0.150 0.000 2.079 533 Q HA -0.147 4.191 4.340 -0.003 0.000 0.200 533 Q C 2.163 178.233 176.000 0.116 0.000 0.974 533 Q CA 1.133 57.024 55.803 0.147 0.000 0.840 533 Q CB -0.083 28.792 28.738 0.228 0.000 0.898 533 Q HN 0.237 nan 8.270 nan 0.000 0.430 534 L N 0.557 121.907 121.223 0.211 0.000 2.083 534 L HA -0.036 4.301 4.340 -0.003 0.000 0.209 534 L C 2.065 178.942 176.870 0.013 0.000 1.083 534 L CA 2.109 57.053 54.840 0.172 0.000 0.752 534 L CB -0.919 41.284 42.059 0.240 0.000 0.899 534 L HN 0.163 nan 8.230 nan 0.000 0.433 535 G N -1.118 107.780 108.800 0.164 0.000 2.422 535 G HA2 -0.196 3.762 3.960 -0.003 0.000 0.218 535 G HA3 -0.196 3.762 3.960 -0.003 0.000 0.218 535 G C 1.513 176.501 174.900 0.146 0.000 1.146 535 G CA 1.054 46.349 45.100 0.325 0.000 0.769 535 G HN 0.338 nan 8.290 nan 0.000 0.547 536 V N 1.493 121.468 119.914 0.102 0.000 2.295 536 V HA -0.137 3.981 4.120 -0.003 0.000 0.246 536 V C 2.797 178.785 176.094 -0.176 0.000 1.049 536 V CA 1.145 63.454 62.300 0.016 0.000 1.024 536 V CB -0.328 31.493 31.823 -0.002 0.000 0.648 536 V HN 0.270 nan 8.190 nan 0.000 0.447 537 I N -0.260 120.113 120.570 -0.328 0.000 2.179 537 I HA -0.216 3.952 4.170 -0.003 0.000 0.242 537 I C 2.357 178.210 176.117 -0.441 0.000 1.088 537 I CA 1.888 62.906 61.300 -0.469 0.000 1.357 537 I CB -1.020 36.486 38.000 -0.823 0.000 1.051 537 I HN 0.279 nan 8.210 nan 0.000 0.409 538 L N -0.684 120.212 121.223 -0.546 0.000 2.044 538 L HA -0.153 4.185 4.340 -0.003 0.000 0.205 538 L C 2.196 178.551 176.870 -0.858 0.000 1.075 538 L CA 1.374 55.734 54.840 -0.799 0.000 0.747 538 L CB -0.573 40.767 42.059 -1.200 0.000 0.903 538 L HN 0.093 nan 8.230 nan 0.000 0.435 539 F N -0.968 118.766 119.950 -0.362 0.000 2.727 539 F HA 0.117 4.642 4.527 -0.003 0.000 0.302 539 F C 1.990 177.592 175.800 -0.330 0.000 1.097 539 F CA 0.074 57.798 58.000 -0.459 0.000 1.330 539 F CB -0.045 38.386 39.000 -0.950 0.000 1.084 539 F HN 0.027 nan 8.300 nan 0.000 0.578 540 E N -0.208 119.911 120.200 -0.135 0.000 2.520 540 E HA 0.029 4.377 4.350 -0.003 0.000 0.201 540 E C 1.824 178.372 176.600 -0.087 0.000 0.894 540 E CA -0.021 56.342 56.400 -0.063 0.000 1.161 540 E CB 0.209 29.908 29.700 -0.003 0.000 1.137 540 E HN 0.103 nan 8.360 nan 0.000 0.510 541 K N 1.173 121.492 120.400 -0.134 0.000 2.031 541 K HA 0.014 4.332 4.320 -0.003 0.000 0.205 541 K C 1.840 178.363 176.600 -0.128 0.000 1.049 541 K CA 0.887 57.097 56.287 -0.129 0.000 0.939 541 K CB 0.160 32.558 32.500 -0.171 0.000 0.717 541 K HN 0.038 nan 8.250 nan 0.000 0.438 542 L N 0.725 121.836 121.223 -0.187 0.000 2.567 542 L HA 0.059 4.397 4.340 -0.003 0.000 0.225 542 L C 0.181 176.982 176.870 -0.114 0.000 1.119 542 L CA 0.038 54.779 54.840 -0.165 0.000 0.871 542 L CB 0.190 42.067 42.059 -0.303 0.000 1.036 542 L HN 0.294 nan 8.230 nan 0.000 0.459 543 Q N 0.309 120.038 119.800 -0.118 0.000 2.481 543 Q HA -0.190 4.148 4.340 -0.003 0.000 0.272 543 Q C -0.087 175.858 176.000 -0.093 0.000 1.157 543 Q CA 0.838 56.593 55.803 -0.080 0.000 0.935 543 Q CB -2.092 26.616 28.738 -0.050 0.000 1.338 543 Q HN 0.480 nan 8.270 nan 0.000 0.494 544 L N 0.813 121.963 121.223 -0.121 0.000 2.467 544 L HA 0.178 4.516 4.340 -0.003 0.000 0.270 544 L C -1.527 175.344 176.870 0.002 0.000 1.205 544 L CA -1.576 53.193 54.840 -0.119 0.000 0.828 544 L CB -0.145 41.821 42.059 -0.156 0.000 1.101 544 L HN -0.144 nan 8.230 nan 0.000 0.479 545 P HA 0.003 nan 4.420 nan 0.000 0.268 545 P C -0.731 176.560 177.300 -0.015 0.000 1.204 545 P CA -0.156 62.877 63.100 -0.111 0.000 0.768 545 P CB 0.554 32.115 31.700 -0.231 0.000 0.842 546 V N 5.545 125.389 119.914 -0.117 0.000 2.322 546 V HA 0.075 4.193 4.120 -0.003 0.000 0.258 546 V C 1.415 177.423 176.094 -0.143 0.000 1.074 546 V CA 0.299 62.428 62.300 -0.285 0.000 0.909 546 V CB -0.124 31.537 31.823 -0.270 0.000 1.090 546 V HN 0.535 nan 8.190 nan 0.000 0.486 547 L N 3.162 124.324 121.223 -0.102 0.000 2.477 547 L HA 0.326 4.664 4.340 -0.003 0.000 0.220 547 L C 0.941 177.795 176.870 -0.027 0.000 1.106 547 L CA 0.659 55.482 54.840 -0.028 0.000 0.851 547 L CB 0.043 42.117 42.059 0.026 0.000 0.994 547 L HN 0.505 nan 8.230 nan 0.000 0.462 548 K N 0.397 120.759 120.400 -0.064 0.000 2.562 548 K HA 0.431 4.749 4.320 -0.003 0.000 0.267 548 K C -1.511 175.057 176.600 -0.053 0.000 0.938 548 K CA -0.645 55.624 56.287 -0.029 0.000 0.840 548 K CB 2.152 34.659 32.500 0.012 0.000 1.390 548 K HN -0.196 nan 8.250 nan 0.000 0.428 549 K N 1.120 121.506 120.400 -0.022 0.000 2.385 549 K HA 0.415 4.733 4.320 -0.003 0.000 0.248 549 K C -0.606 175.990 176.600 -0.006 0.000 0.955 549 K CA -0.950 55.322 56.287 -0.024 0.000 0.816 549 K CB 2.086 34.562 32.500 -0.041 0.000 1.250 549 K HN 0.775 nan 8.250 nan 0.000 0.434 550 T N -2.594 111.953 114.554 -0.011 0.000 2.937 550 T HA 0.230 4.578 4.350 -0.003 0.000 0.283 550 T C 1.098 175.787 174.700 -0.018 0.000 1.012 550 T CA -0.838 61.262 62.100 0.001 0.000 0.997 550 T CB 1.429 70.308 68.868 0.018 0.000 1.136 550 T HN 0.638 nan 8.240 nan 0.000 0.551 551 K N -0.145 120.250 120.400 -0.008 0.000 2.218 551 K HA -0.156 4.162 4.320 -0.003 0.000 0.205 551 K C 1.782 178.364 176.600 -0.029 0.000 1.046 551 K CA 2.012 58.290 56.287 -0.015 0.000 0.933 551 K CB -0.495 32.002 32.500 -0.005 0.000 0.728 551 K HN 0.845 nan 8.250 nan 0.000 0.454 552 T N -4.726 109.808 114.554 -0.033 0.000 2.964 552 T HA 0.337 4.685 4.350 -0.003 0.000 0.249 552 T C 0.782 175.425 174.700 -0.095 0.000 1.000 552 T CA 0.103 62.174 62.100 -0.049 0.000 0.992 552 T CB 1.066 69.919 68.868 -0.026 0.000 1.087 552 T HN 0.249 nan 8.240 nan 0.000 0.489 553 G N -0.032 108.703 108.800 -0.108 0.000 2.726 553 G HA2 0.491 4.449 3.960 -0.003 0.000 0.198 553 G HA3 0.491 4.449 3.960 -0.003 0.000 0.198 553 G C -1.811 172.969 174.900 -0.201 0.000 1.195 553 G CA -0.959 44.004 45.100 -0.229 0.000 0.951 553 G HN 0.162 nan 8.290 nan 0.000 0.532 554 Y N 0.993 121.287 120.300 -0.010 0.000 2.319 554 Y HA 0.588 5.136 4.550 -0.003 0.000 0.328 554 Y C 1.124 177.024 175.900 0.000 0.000 1.133 554 Y CA -0.429 57.617 58.100 -0.089 0.000 1.265 554 Y CB 1.535 39.974 38.460 -0.036 0.000 1.218 554 Y HN 0.312 nan 8.280 nan 0.000 0.508 555 S N 1.213 116.976 115.700 0.106 0.000 2.523 555 S HA 0.290 4.758 4.470 -0.003 0.000 0.275 555 S C 0.578 175.310 174.600 0.219 0.000 1.281 555 S CA -0.105 58.167 58.200 0.121 0.000 1.050 555 S CB 0.070 63.307 63.200 0.062 0.000 0.937 555 S HN 0.831 nan 8.310 nan 0.000 0.492 556 T N 0.495 115.178 114.554 0.215 0.000 3.337 556 T HA 0.289 4.637 4.350 -0.003 0.000 0.299 556 T C 0.333 175.128 174.700 0.158 0.000 0.998 556 T CA -0.229 62.011 62.100 0.235 0.000 0.948 556 T CB -0.591 68.417 68.868 0.235 0.000 1.170 556 T HN 0.608 nan 8.240 nan 0.000 0.508 557 S N 0.755 116.532 115.700 0.128 0.000 2.584 557 S HA 0.593 5.061 4.470 -0.003 0.000 0.270 557 S C 1.924 176.578 174.600 0.091 0.000 1.346 557 S CA -0.252 58.005 58.200 0.096 0.000 1.018 557 S CB 0.894 64.139 63.200 0.076 0.000 0.899 557 S HN 0.538 nan 8.310 nan 0.000 0.542 558 A N 2.095 124.960 122.820 0.074 0.000 1.927 558 A HA -0.245 4.073 4.320 -0.003 0.000 0.220 558 A C 1.994 179.612 177.584 0.057 0.000 1.185 558 A CA 1.992 54.067 52.037 0.064 0.000 0.639 558 A CB -1.290 17.740 19.000 0.049 0.000 0.820 558 A HN 1.025 nan 8.150 nan 0.000 0.451 559 D N -0.128 120.299 120.400 0.045 0.000 2.182 559 D HA -0.124 4.514 4.640 -0.003 0.000 0.201 559 D C 1.823 178.156 176.300 0.054 0.000 0.986 559 D CA 1.696 55.717 54.000 0.035 0.000 0.847 559 D CB -0.800 40.011 40.800 0.018 0.000 0.942 559 D HN 0.295 nan 8.370 nan 0.000 0.467 560 V N 1.053 121.012 119.914 0.076 0.000 2.407 560 V HA -0.151 3.967 4.120 -0.003 0.000 0.245 560 V C 2.854 179.023 176.094 0.126 0.000 1.041 560 V CA 0.836 63.197 62.300 0.102 0.000 1.040 560 V CB -0.468 31.429 31.823 0.123 0.000 0.671 560 V HN 0.167 nan 8.190 nan 0.000 0.455 561 L N -0.213 121.083 121.223 0.122 0.000 2.042 561 L HA -0.223 4.115 4.340 -0.003 0.000 0.210 561 L C 2.570 179.498 176.870 0.097 0.000 1.076 561 L CA 1.786 56.695 54.840 0.116 0.000 0.749 561 L CB -0.767 41.351 42.059 0.099 0.000 0.893 561 L HN 0.393 nan 8.230 nan 0.000 0.432 562 E N 0.470 120.715 120.200 0.075 0.000 2.114 562 E HA -0.273 4.075 4.350 -0.003 0.000 0.199 562 E C 2.102 178.739 176.600 0.062 0.000 1.008 562 E CA 1.502 57.934 56.400 0.054 0.000 0.810 562 E CB -0.090 29.631 29.700 0.036 0.000 0.739 562 E HN 0.463 nan 8.360 nan 0.000 0.456 563 K N 0.178 120.627 120.400 0.082 0.000 2.365 563 K HA -0.033 4.285 4.320 -0.003 0.000 0.199 563 K C 1.836 178.539 176.600 0.171 0.000 1.045 563 K CA 0.601 56.949 56.287 0.101 0.000 0.962 563 K CB 0.143 32.705 32.500 0.104 0.000 0.759 563 K HN 0.159 nan 8.250 nan 0.000 0.469 564 L N -0.286 121.053 121.223 0.195 0.000 2.554 564 L HA 0.141 4.479 4.340 -0.003 0.000 0.225 564 L C 2.320 179.332 176.870 0.237 0.000 1.104 564 L CA -0.028 54.998 54.840 0.309 0.000 0.866 564 L CB -0.289 41.910 42.059 0.233 0.000 1.047 564 L HN 0.070 nan 8.230 nan 0.000 0.468 565 A N 1.640 124.532 122.820 0.120 0.000 1.903 565 A HA -0.181 4.137 4.320 -0.003 0.000 0.219 565 A C -0.035 177.567 177.584 0.031 0.000 1.191 565 A CA 1.989 54.069 52.037 0.073 0.000 0.638 565 A CB -1.804 17.218 19.000 0.037 0.000 0.823 565 A HN 0.274 nan 8.150 nan 0.000 0.451 566 P HA -0.148 nan 4.420 nan 0.000 0.219 566 P C 0.729 177.912 177.300 -0.196 0.000 1.146 566 P CA 1.126 64.116 63.100 -0.183 0.000 0.808 566 P CB -0.171 31.335 31.700 -0.323 0.000 0.779 567 Y N -2.880 117.443 120.300 0.038 0.000 2.314 567 Y HA 0.006 4.553 4.550 -0.003 0.000 0.293 567 Y C 1.510 177.459 175.900 0.081 0.000 1.129 567 Y CA 1.079 59.209 58.100 0.049 0.000 1.201 567 Y CB -0.185 38.312 38.460 0.061 0.000 0.999 567 Y HN 0.058 nan 8.280 nan 0.000 0.541 568 H N -0.918 118.224 119.070 0.120 0.000 3.085 568 H HA 0.127 4.681 4.556 -0.003 0.000 0.356 568 H C 0.160 175.506 175.328 0.029 0.000 1.178 568 H CA -0.571 55.512 56.048 0.058 0.000 1.214 568 H CB 1.672 31.457 29.762 0.039 0.000 1.881 568 H HN 0.179 nan 8.280 nan 0.000 0.538 569 E N 3.732 123.970 120.200 0.064 0.000 2.333 569 E HA -0.092 4.256 4.350 -0.003 0.000 0.198 569 E C 1.709 178.436 176.600 0.213 0.000 1.007 569 E CA 0.677 57.140 56.400 0.104 0.000 0.845 569 E CB 0.256 29.954 29.700 -0.003 0.000 0.766 569 E HN 0.615 nan 8.360 nan 0.000 0.507 570 I N -0.087 120.740 120.570 0.429 0.000 2.394 570 I HA -0.229 3.939 4.170 -0.003 0.000 0.251 570 I C 1.802 177.968 176.117 0.081 0.000 1.136 570 I CA 0.547 61.943 61.300 0.160 0.000 1.425 570 I CB 0.149 38.125 38.000 -0.039 0.000 1.079 570 I HN 0.033 nan 8.210 nan 0.000 0.425 571 V N 2.317 122.287 119.914 0.094 0.000 2.255 571 V HA -0.326 3.792 4.120 -0.003 0.000 0.247 571 V C 2.452 178.591 176.094 0.074 0.000 1.051 571 V CA 2.461 64.801 62.300 0.067 0.000 1.018 571 V CB -1.162 30.711 31.823 0.083 0.000 0.641 571 V HN 0.624 nan 8.190 nan 0.000 0.445 572 E N 0.491 120.735 120.200 0.073 0.000 2.118 572 E HA -0.260 4.088 4.350 -0.003 0.000 0.195 572 E C 1.884 178.539 176.600 0.092 0.000 0.992 572 E CA 1.698 58.135 56.400 0.062 0.000 0.804 572 E CB -0.512 29.209 29.700 0.034 0.000 0.741 572 E HN 0.620 nan 8.360 nan 0.000 0.458 573 N N 0.762 119.518 118.700 0.093 0.000 2.188 573 N HA -0.082 4.656 4.740 -0.003 0.000 0.184 573 N C 1.865 177.449 175.510 0.122 0.000 1.018 573 N CA 1.001 54.119 53.050 0.113 0.000 0.858 573 N CB -0.016 38.506 38.487 0.058 0.000 0.989 573 N HN 0.244 nan 8.380 nan 0.000 0.426 574 I N 1.608 122.231 120.570 0.088 0.000 2.226 574 I HA -0.175 3.993 4.170 -0.003 0.000 0.245 574 I C 2.344 178.560 176.117 0.165 0.000 1.100 574 I CA 0.757 62.119 61.300 0.103 0.000 1.374 574 I CB -1.085 36.959 38.000 0.072 0.000 1.057 574 I HN 0.092 nan 8.210 nan 0.000 0.413 575 L N -0.399 120.907 121.223 0.138 0.000 2.046 575 L HA -0.258 4.080 4.340 -0.003 0.000 0.208 575 L C 2.728 179.703 176.870 0.176 0.000 1.077 575 L CA 1.492 56.411 54.840 0.132 0.000 0.747 575 L CB -0.822 41.295 42.059 0.096 0.000 0.896 575 L HN 0.342 nan 8.230 nan 0.000 0.432 576 H N -1.422 117.688 119.070 0.066 0.000 2.353 576 H HA -0.264 4.289 4.556 -0.003 0.000 0.300 576 H C 2.308 177.675 175.328 0.064 0.000 1.090 576 H CA 1.708 57.787 56.048 0.051 0.000 1.327 576 H CB 0.128 29.917 29.762 0.045 0.000 1.383 576 H HN 0.294 nan 8.280 nan 0.000 0.508 577 Y N 1.597 121.886 120.300 -0.018 0.000 2.181 577 Y HA -0.209 4.338 4.550 -0.003 0.000 0.288 577 Y C 2.550 178.416 175.900 -0.056 0.000 1.146 577 Y CA 1.353 59.388 58.100 -0.108 0.000 1.164 577 Y CB -0.157 38.242 38.460 -0.102 0.000 0.982 577 Y HN 0.056 nan 8.280 nan 0.000 0.515 578 R N 0.340 120.868 120.500 0.047 0.000 2.073 578 R HA -0.229 4.109 4.340 -0.003 0.000 0.234 578 R C 2.324 178.593 176.300 -0.052 0.000 1.134 578 R CA 1.866 57.960 56.100 -0.009 0.000 0.952 578 R CB -0.871 29.476 30.300 0.079 0.000 0.850 578 R HN 0.587 nan 8.270 nan 0.000 0.433 579 Q N 0.741 120.543 119.800 0.003 0.000 2.020 579 Q HA -0.124 4.214 4.340 -0.003 0.000 0.202 579 Q C 2.246 178.225 176.000 -0.034 0.000 0.982 579 Q CA 1.376 57.192 55.803 0.022 0.000 0.838 579 Q CB -0.098 28.699 28.738 0.098 0.000 0.899 579 Q HN 0.291 nan 8.270 nan 0.000 0.423 580 L N 0.038 121.192 121.223 -0.115 0.000 2.017 580 L HA -0.101 4.237 4.340 -0.003 0.000 0.208 580 L C 2.565 179.319 176.870 -0.193 0.000 1.073 580 L CA 1.125 55.866 54.840 -0.165 0.000 0.745 580 L CB -0.908 40.985 42.059 -0.277 0.000 0.894 580 L HN 0.451 nan 8.230 nan 0.000 0.432 581 G N 0.125 108.727 108.800 -0.329 0.000 2.422 581 G HA2 -0.320 3.638 3.960 -0.003 0.000 0.218 581 G HA3 -0.320 3.638 3.960 -0.003 0.000 0.218 581 G C 1.655 176.461 174.900 -0.156 0.000 1.146 581 G CA 0.969 45.870 45.100 -0.331 0.000 0.769 581 G HN 0.200 nan 8.290 nan 0.000 0.547 582 K N 0.444 120.791 120.400 -0.089 0.000 2.057 582 K HA 0.066 4.383 4.320 -0.003 0.000 0.207 582 K C 2.450 179.097 176.600 0.079 0.000 1.049 582 K CA 0.969 57.257 56.287 0.001 0.000 0.931 582 K CB -0.526 32.013 32.500 0.064 0.000 0.714 582 K HN 0.360 nan 8.250 nan 0.000 0.440 583 L N 0.123 121.411 121.223 0.108 0.000 2.027 583 L HA -0.162 4.176 4.340 -0.003 0.000 0.206 583 L C 2.697 179.626 176.870 0.099 0.000 1.074 583 L CA 1.447 56.401 54.840 0.190 0.000 0.745 583 L CB -0.592 41.521 42.059 0.091 0.000 0.898 583 L HN 0.293 nan 8.230 nan 0.000 0.433 584 Q N 0.236 120.038 119.800 0.003 0.000 1.993 584 Q HA -0.164 4.174 4.340 -0.003 0.000 0.202 584 Q C 2.323 178.303 176.000 -0.034 0.000 0.984 584 Q CA 2.470 58.258 55.803 -0.024 0.000 0.837 584 Q CB -0.183 28.514 28.738 -0.068 0.000 0.902 584 Q HN 0.323 nan 8.270 nan 0.000 0.423 585 S N -0.749 114.914 115.700 -0.062 0.000 2.355 585 S HA -0.097 4.371 4.470 -0.003 0.000 0.222 585 S C 1.945 176.481 174.600 -0.106 0.000 1.031 585 S CA 1.575 59.731 58.200 -0.074 0.000 0.993 585 S CB -0.480 62.672 63.200 -0.080 0.000 0.859 585 S HN 0.514 nan 8.310 nan 0.000 0.453 586 T N 0.425 114.873 114.554 -0.176 0.000 2.901 586 T HA 0.081 4.429 4.350 -0.003 0.000 0.252 586 T C 1.192 175.645 174.700 -0.411 0.000 1.035 586 T CA 0.854 62.733 62.100 -0.367 0.000 1.142 586 T CB -0.290 68.189 68.868 -0.648 0.000 0.869 586 T HN 0.397 nan 8.240 nan 0.000 0.442 587 Y N 0.044 120.358 120.300 0.023 0.000 2.482 587 Y HA 0.446 4.994 4.550 -0.003 0.000 0.270 587 Y C 1.677 177.599 175.900 0.035 0.000 1.152 587 Y CA -0.372 57.758 58.100 0.050 0.000 1.292 587 Y CB -0.169 38.324 38.460 0.055 0.000 1.070 587 Y HN 0.209 nan 8.280 nan 0.000 0.528 588 I N -1.195 119.438 120.570 0.104 0.000 3.523 588 I HA -0.032 4.136 4.170 -0.003 0.000 0.244 588 I C 1.755 177.879 176.117 0.011 0.000 1.110 588 I CA 0.286 61.617 61.300 0.052 0.000 1.517 588 I CB 0.069 38.088 38.000 0.030 0.000 1.505 588 I HN -0.068 nan 8.210 nan 0.000 0.460 589 E N 1.397 121.592 120.200 -0.008 0.000 2.077 589 E HA -0.141 4.207 4.350 -0.003 0.000 0.193 589 E C 2.119 178.704 176.600 -0.024 0.000 0.989 589 E CA 1.352 57.740 56.400 -0.020 0.000 0.800 589 E CB -0.269 29.414 29.700 -0.027 0.000 0.746 589 E HN 0.565 nan 8.360 nan 0.000 0.452 590 G N 1.247 110.024 108.800 -0.038 0.000 2.418 590 G HA2 -0.238 3.720 3.960 -0.003 0.000 0.217 590 G HA3 -0.238 3.720 3.960 -0.003 0.000 0.217 590 G C 1.524 176.415 174.900 -0.015 0.000 1.158 590 G CA 0.382 45.455 45.100 -0.045 0.000 0.771 590 G HN 0.092 nan 8.290 nan 0.000 0.545 591 L N 0.494 121.725 121.223 0.012 0.000 2.027 591 L HA 0.172 4.510 4.340 -0.003 0.000 0.206 591 L C 2.740 179.612 176.870 0.003 0.000 1.074 591 L CA 1.215 56.080 54.840 0.042 0.000 0.745 591 L CB -0.575 41.538 42.059 0.090 0.000 0.898 591 L HN 0.187 nan 8.230 nan 0.000 0.433 592 L N -0.808 120.408 121.223 -0.012 0.000 2.187 592 L HA -0.252 4.086 4.340 -0.003 0.000 0.213 592 L C 2.439 179.297 176.870 -0.020 0.000 1.100 592 L CA 1.182 56.007 54.840 -0.025 0.000 0.765 592 L CB -0.528 41.516 42.059 -0.025 0.000 0.904 592 L HN 0.275 nan 8.230 nan 0.000 0.437 593 K N -0.312 120.079 120.400 -0.016 0.000 2.148 593 K HA -0.092 4.226 4.320 -0.003 0.000 0.204 593 K C 1.649 178.242 176.600 -0.013 0.000 1.050 593 K CA 1.447 57.725 56.287 -0.016 0.000 0.942 593 K CB 0.038 32.528 32.500 -0.018 0.000 0.724 593 K HN 0.357 nan 8.250 nan 0.000 0.446 594 V N -2.122 117.788 119.914 -0.007 0.000 3.621 594 V HA 0.160 4.277 4.120 -0.003 0.000 0.285 594 V C 0.537 176.633 176.094 0.003 0.000 1.346 594 V CA -0.514 61.785 62.300 -0.002 0.000 1.104 594 V CB 0.097 31.923 31.823 0.005 0.000 0.913 594 V HN -0.208 nan 8.190 nan 0.000 0.432 595 V N 2.925 122.834 119.914 -0.008 0.000 2.614 595 V HA 0.307 4.425 4.120 -0.003 0.000 0.291 595 V C 0.769 176.866 176.094 0.005 0.000 1.049 595 V CA -0.372 61.920 62.300 -0.013 0.000 1.038 595 V CB 0.793 32.593 31.823 -0.038 0.000 0.980 595 V HN 0.499 nan 8.190 nan 0.000 0.481 596 R N 5.664 126.184 120.500 0.034 0.000 2.296 596 R HA 0.182 4.520 4.340 -0.003 0.000 0.323 596 R C -1.805 174.512 176.300 0.028 0.000 1.067 596 R CA -1.612 54.519 56.100 0.052 0.000 0.946 596 R CB 0.691 31.072 30.300 0.135 0.000 0.991 596 R HN 0.484 nan 8.270 nan 0.000 0.448 597 P HA -0.215 nan 4.420 nan 0.000 0.216 597 P C 0.785 178.090 177.300 0.009 0.000 1.150 597 P CA 1.372 64.475 63.100 0.004 0.000 0.843 597 P CB 0.217 31.917 31.700 -0.000 0.000 0.787 598 D N -1.465 118.949 120.400 0.024 0.000 2.162 598 D HA -0.094 4.544 4.640 -0.003 0.000 0.203 598 D C 1.470 177.784 176.300 0.023 0.000 0.967 598 D CA 2.008 56.024 54.000 0.026 0.000 0.840 598 D CB -1.294 39.531 40.800 0.041 0.000 0.972 598 D HN 0.246 nan 8.370 nan 0.000 0.482 599 T N -3.694 110.882 114.554 0.038 0.000 3.001 599 T HA 0.155 4.503 4.350 -0.003 0.000 0.251 599 T C 0.730 175.424 174.700 -0.010 0.000 1.040 599 T CA -0.331 61.780 62.100 0.019 0.000 0.985 599 T CB 0.300 69.201 68.868 0.053 0.000 1.011 599 T HN -0.125 nan 8.240 nan 0.000 0.509 600 K N 0.803 121.199 120.400 -0.006 0.000 3.230 600 K HA -0.111 4.207 4.320 -0.003 0.000 0.285 600 K C -0.530 176.033 176.600 -0.061 0.000 1.196 600 K CA 0.712 56.978 56.287 -0.035 0.000 0.838 600 K CB -1.846 30.626 32.500 -0.046 0.000 1.262 600 K HN 0.585 nan 8.250 nan 0.000 0.492 601 K N 0.212 120.579 120.400 -0.055 0.000 2.208 601 K HA 0.561 4.879 4.320 -0.003 0.000 0.247 601 K C 0.209 176.701 176.600 -0.180 0.000 0.953 601 K CA -0.860 55.333 56.287 -0.156 0.000 0.837 601 K CB 2.212 34.553 32.500 -0.266 0.000 1.131 601 K HN 0.020 nan 8.250 nan 0.000 0.431 602 V N -0.857 118.916 119.914 -0.235 0.000 2.483 602 V HA 0.432 4.550 4.120 -0.003 0.000 0.295 602 V C -0.573 175.309 176.094 -0.353 0.000 1.035 602 V CA -0.641 61.567 62.300 -0.153 0.000 0.896 602 V CB 1.434 33.255 31.823 -0.003 0.000 0.986 602 V HN 0.720 nan 8.190 nan 0.000 0.447 603 H N 2.419 121.414 119.070 -0.124 0.000 2.736 603 H HA 0.377 4.931 4.556 -0.003 0.000 0.271 603 H C 0.268 175.482 175.328 -0.190 0.000 1.184 603 H CA -0.192 55.697 56.048 -0.265 0.000 1.378 603 H CB 1.633 30.990 29.762 -0.676 0.000 1.428 603 H HN 0.882 nan 8.280 nan 0.000 0.500 604 T N 2.496 117.021 114.554 -0.049 0.000 2.726 604 T HA 0.350 4.698 4.350 -0.003 0.000 0.294 604 T C 0.551 175.218 174.700 -0.055 0.000 1.013 604 T CA -0.250 61.776 62.100 -0.124 0.000 0.996 604 T CB 0.332 68.991 68.868 -0.348 0.000 1.016 604 T HN 0.423 nan 8.240 nan 0.000 0.529 605 I N 2.610 123.075 120.570 -0.174 0.000 2.439 605 I HA 0.315 4.483 4.170 -0.003 0.000 0.285 605 I C -1.025 174.996 176.117 -0.161 0.000 1.021 605 I CA -0.727 60.512 61.300 -0.102 0.000 1.091 605 I CB 1.406 39.299 38.000 -0.179 0.000 1.242 605 I HN 0.518 nan 8.210 nan 0.000 0.439 606 F N 4.821 124.845 119.950 0.122 0.000 2.424 606 F HA 0.239 4.764 4.527 -0.004 0.000 0.356 606 F C 0.891 176.730 175.800 0.065 0.000 1.110 606 F CA -0.381 57.671 58.000 0.086 0.000 1.161 606 F CB 0.385 39.433 39.000 0.079 0.000 1.115 606 F HN 0.405 nan 8.300 nan 0.000 0.507 607 N N 3.634 122.458 118.700 0.207 0.000 2.406 607 N HA 0.015 4.753 4.740 -0.003 0.000 0.251 607 N C 0.540 176.079 175.510 0.048 0.000 1.069 607 N CA 0.183 53.292 53.050 0.099 0.000 0.947 607 N CB 0.891 39.415 38.487 0.063 0.000 1.111 607 N HN 0.778 nan 8.380 nan 0.000 0.497 608 Q N 2.703 122.485 119.800 -0.030 0.000 2.392 608 Q HA 0.191 4.529 4.340 -0.003 0.000 0.203 608 Q C -0.219 175.499 176.000 -0.470 0.000 0.917 608 Q CA 0.208 55.936 55.803 -0.125 0.000 0.939 608 Q CB 0.358 29.049 28.738 -0.078 0.000 1.063 608 Q HN 0.630 nan 8.270 nan 0.000 0.516 609 A N 0.505 122.974 122.820 -0.585 0.000 2.956 609 A HA 0.291 4.609 4.320 -0.003 0.000 0.294 609 A C 0.068 177.245 177.584 -0.677 0.000 0.993 609 A CA -0.264 51.038 52.037 -1.225 0.000 1.032 609 A CB 0.296 18.901 19.000 -0.658 0.000 1.129 609 A HN 0.377 nan 8.150 nan 0.000 0.505 610 L N -0.292 120.708 121.223 -0.372 0.000 2.666 610 L HA 0.306 4.644 4.340 -0.003 0.000 0.184 610 L C 1.271 178.265 176.870 0.206 0.000 1.092 610 L CA 1.816 56.661 54.840 0.008 0.000 0.857 610 L CB 0.042 42.121 42.059 0.034 0.000 1.281 610 L HN 0.345 nan 8.230 nan 0.000 0.489 611 T N -1.750 112.938 114.554 0.224 0.000 2.900 611 T HA 0.054 4.402 4.350 -0.003 0.000 0.307 611 T C 0.636 175.512 174.700 0.294 0.000 1.065 611 T CA -0.124 62.122 62.100 0.244 0.000 1.105 611 T CB 0.668 69.654 68.868 0.198 0.000 0.979 611 T HN 0.420 nan 8.240 nan 0.000 0.544 612 Q N 0.619 120.531 119.800 0.188 0.000 2.403 612 Q HA 0.036 4.374 4.340 -0.003 0.000 0.203 612 Q C 1.877 177.919 176.000 0.071 0.000 0.932 612 Q CA 0.837 56.714 55.803 0.123 0.000 0.945 612 Q CB 0.140 28.946 28.738 0.114 0.000 1.045 612 Q HN 1.017 nan 8.270 nan 0.000 0.511 613 T N -5.117 109.493 114.554 0.094 0.000 3.015 613 T HA 0.285 4.633 4.350 -0.003 0.000 0.250 613 T C 1.386 176.124 174.700 0.064 0.000 1.057 613 T CA 0.625 62.759 62.100 0.056 0.000 1.066 613 T CB 0.806 69.704 68.868 0.050 0.000 0.959 613 T HN 0.303 nan 8.240 nan 0.000 0.488 614 G N 1.522 110.406 108.800 0.139 0.000 2.179 614 G HA2 -0.183 3.775 3.960 -0.003 0.000 0.220 614 G HA3 -0.183 3.775 3.960 -0.003 0.000 0.220 614 G C 0.220 175.224 174.900 0.172 0.000 0.990 614 G CA -0.385 44.816 45.100 0.169 0.000 0.646 614 G HN 0.597 nan 8.290 nan 0.000 0.517 615 R N -0.145 120.452 120.500 0.160 0.000 2.615 615 R HA 0.611 4.949 4.340 -0.003 0.000 0.270 615 R C 0.705 177.128 176.300 0.205 0.000 1.081 615 R CA -0.221 55.988 56.100 0.182 0.000 1.154 615 R CB 0.537 30.937 30.300 0.167 0.000 1.063 615 R HN 0.274 nan 8.270 nan 0.000 0.519 616 L N 0.320 121.679 121.223 0.226 0.000 2.416 616 L HA 0.337 4.675 4.340 -0.003 0.000 0.262 616 L C 0.602 177.645 176.870 0.290 0.000 1.093 616 L CA -0.379 54.582 54.840 0.202 0.000 0.801 616 L CB 1.439 43.575 42.059 0.128 0.000 1.191 616 L HN 0.727 nan 8.230 nan 0.000 0.459 617 S N -0.518 115.346 115.700 0.273 0.000 2.632 617 S HA 0.690 5.158 4.470 -0.003 0.000 0.289 617 S C -0.825 173.928 174.600 0.254 0.000 1.115 617 S CA -0.706 57.649 58.200 0.257 0.000 0.889 617 S CB 2.017 65.324 63.200 0.179 0.000 1.116 617 S HN 0.534 nan 8.310 nan 0.000 0.486 618 S N 0.764 116.557 115.700 0.155 0.000 2.538 618 S HA 0.825 5.293 4.470 -0.003 0.000 0.288 618 S C -0.786 173.800 174.600 -0.023 0.000 1.108 618 S CA -0.216 57.977 58.200 -0.013 0.000 0.971 618 S CB 1.172 64.349 63.200 -0.037 0.000 1.041 618 S HN 1.393 nan 8.310 nan 0.000 0.483 619 T N 0.634 115.139 114.554 -0.082 0.000 2.896 619 T HA 0.612 4.960 4.350 -0.003 0.000 0.297 619 T C -0.856 173.811 174.700 -0.055 0.000 1.108 619 T CA -0.804 61.272 62.100 -0.041 0.000 1.004 619 T CB 1.123 69.978 68.868 -0.022 0.000 1.159 619 T HN 0.714 nan 8.240 nan 0.000 0.499 620 E N 1.216 121.400 120.200 -0.026 0.000 2.197 620 E HA -0.132 4.216 4.350 -0.003 0.000 0.184 620 E C -2.374 174.220 176.600 -0.010 0.000 1.439 620 E CA 0.213 56.602 56.400 -0.018 0.000 0.688 620 E CB -1.045 28.639 29.700 -0.027 0.000 1.090 620 E HN 0.617 nan 8.360 nan 0.000 0.341 621 P HA 0.115 nan 4.420 nan 0.000 0.286 621 P C -0.611 176.702 177.300 0.021 0.000 1.292 621 P CA -0.701 62.418 63.100 0.031 0.000 0.842 621 P CB 0.866 32.620 31.700 0.090 0.000 1.207 622 N N 0.925 119.655 118.700 0.050 0.000 2.401 622 N HA 0.105 4.842 4.740 -0.003 0.000 0.255 622 N C 0.300 175.881 175.510 0.118 0.000 1.110 622 N CA 0.007 53.096 53.050 0.065 0.000 0.949 622 N CB -0.561 37.978 38.487 0.086 0.000 1.110 622 N HN 0.306 nan 8.380 nan 0.000 0.490 623 L N 2.673 123.948 121.223 0.086 0.000 2.741 623 L HA 0.192 4.529 4.340 -0.003 0.000 0.237 623 L C 1.125 178.105 176.870 0.183 0.000 1.178 623 L CA 0.127 55.045 54.840 0.129 0.000 0.973 623 L CB 0.084 42.176 42.059 0.056 0.000 1.255 623 L HN 0.527 nan 8.230 nan 0.000 0.498 624 Q N 0.703 120.600 119.800 0.162 0.000 2.282 624 Q HA 0.088 4.426 4.340 -0.003 0.000 0.206 624 Q C 0.336 176.441 176.000 0.174 0.000 0.878 624 Q CA 0.033 55.927 55.803 0.152 0.000 0.944 624 Q CB 0.418 29.216 28.738 0.099 0.000 1.100 624 Q HN 0.452 nan 8.270 nan 0.000 0.509 625 N N -0.373 118.431 118.700 0.173 0.000 2.536 625 N HA 0.072 4.810 4.740 -0.003 0.000 0.286 625 N C -0.616 174.949 175.510 0.092 0.000 1.577 625 N CA -0.227 52.917 53.050 0.156 0.000 0.883 625 N CB 0.332 38.942 38.487 0.206 0.000 1.390 625 N HN -0.071 nan 8.380 nan 0.000 0.491 626 I N 1.595 122.145 120.570 -0.032 0.000 2.556 626 I HA 0.259 4.427 4.170 -0.003 0.000 0.284 626 I C -1.803 174.060 176.117 -0.423 0.000 1.114 626 I CA -1.898 59.235 61.300 -0.279 0.000 1.418 626 I CB -0.079 37.702 38.000 -0.365 0.000 1.394 626 I HN -0.070 nan 8.210 nan 0.000 0.552 627 P HA 0.081 nan 4.420 nan 0.000 0.266 627 P C 0.626 177.742 177.300 -0.306 0.000 1.186 627 P CA 0.487 63.342 63.100 -0.409 0.000 0.767 627 P CB 1.034 32.464 31.700 -0.450 0.000 0.820 628 I N 1.058 121.498 120.570 -0.216 0.000 5.362 628 I HA 0.071 4.239 4.170 -0.003 0.000 0.359 628 I C 1.969 178.005 176.117 -0.135 0.000 1.172 628 I CA -0.091 61.090 61.300 -0.200 0.000 1.577 628 I CB 0.137 38.001 38.000 -0.227 0.000 1.845 628 I HN 0.122 nan 8.210 nan 0.000 0.632 629 R N 1.564 122.003 120.500 -0.102 0.000 2.080 629 R HA -0.011 4.327 4.340 -0.003 0.000 0.236 629 R C 0.294 176.556 176.300 -0.063 0.000 1.137 629 R CA 1.202 57.259 56.100 -0.071 0.000 0.943 629 R CB -0.118 30.151 30.300 -0.052 0.000 0.846 629 R HN 0.263 nan 8.270 nan 0.000 0.431 630 L N 1.311 122.500 121.223 -0.057 0.000 2.307 630 L HA 0.146 4.484 4.340 -0.003 0.000 0.282 630 L C 1.076 177.927 176.870 -0.030 0.000 1.051 630 L CA -0.562 54.255 54.840 -0.038 0.000 0.804 630 L CB 1.656 43.700 42.059 -0.025 0.000 1.197 630 L HN 0.186 nan 8.230 nan 0.000 0.431 631 E N 1.973 122.165 120.200 -0.013 0.000 2.097 631 E HA -0.250 4.098 4.350 -0.003 0.000 0.196 631 E C 1.542 178.162 176.600 0.032 0.000 1.000 631 E CA 1.918 58.331 56.400 0.021 0.000 0.804 631 E CB 0.189 29.904 29.700 0.025 0.000 0.740 631 E HN 0.649 nan 8.360 nan 0.000 0.454 632 E N -0.969 119.239 120.200 0.014 0.000 2.085 632 E HA -0.146 4.202 4.350 -0.003 0.000 0.194 632 E C 2.064 178.662 176.600 -0.004 0.000 0.994 632 E CA 1.042 57.450 56.400 0.013 0.000 0.801 632 E CB -0.330 29.387 29.700 0.028 0.000 0.743 632 E HN 0.457 nan 8.360 nan 0.000 0.453 633 G N 0.916 109.701 108.800 -0.025 0.000 2.430 633 G HA2 -0.218 3.740 3.960 -0.003 0.000 0.216 633 G HA3 -0.218 3.740 3.960 -0.003 0.000 0.216 633 G C 1.526 176.373 174.900 -0.089 0.000 1.146 633 G CA 0.213 45.268 45.100 -0.074 0.000 0.793 633 G HN 0.065 nan 8.290 nan 0.000 0.537 634 R N 0.753 121.226 120.500 -0.044 0.000 2.127 634 R HA -0.043 4.295 4.340 -0.003 0.000 0.238 634 R C 2.287 178.677 176.300 0.150 0.000 1.134 634 R CA 1.362 57.461 56.100 -0.002 0.000 0.975 634 R CB -0.178 30.132 30.300 0.017 0.000 0.865 634 R HN 0.247 nan 8.270 nan 0.000 0.447 635 K N 0.218 120.676 120.400 0.097 0.000 2.281 635 K HA -0.132 4.186 4.320 -0.003 0.000 0.203 635 K C 1.836 178.416 176.600 -0.033 0.000 1.046 635 K CA 0.882 57.135 56.287 -0.056 0.000 0.938 635 K CB -0.080 32.357 32.500 -0.106 0.000 0.737 635 K HN 0.224 nan 8.250 nan 0.000 0.458 636 I N 1.381 121.957 120.570 0.010 0.000 2.335 636 I HA -0.268 3.900 4.170 -0.003 0.000 0.251 636 I C 1.934 178.162 176.117 0.184 0.000 1.129 636 I CA 1.521 62.858 61.300 0.062 0.000 1.402 636 I CB -0.788 37.230 38.000 0.032 0.000 1.069 636 I HN 0.201 nan 8.210 nan 0.000 0.424 637 R N 0.391 120.987 120.500 0.160 0.000 2.285 637 R HA -0.132 4.206 4.340 -0.003 0.000 0.213 637 R C 1.948 178.473 176.300 0.375 0.000 1.068 637 R CA 0.532 56.801 56.100 0.281 0.000 1.004 637 R CB -0.185 30.073 30.300 -0.069 0.000 0.873 637 R HN 0.565 nan 8.270 nan 0.000 0.467 638 Q N -0.172 119.731 119.800 0.172 0.000 2.369 638 Q HA -0.010 4.328 4.340 -0.003 0.000 0.206 638 Q C 1.795 177.851 176.000 0.093 0.000 0.963 638 Q CA 1.031 56.879 55.803 0.075 0.000 0.894 638 Q CB 0.175 28.813 28.738 -0.167 0.000 0.965 638 Q HN 0.331 nan 8.270 nan 0.000 0.475 639 A N 0.188 123.061 122.820 0.089 0.000 2.123 639 A HA 0.036 4.354 4.320 -0.003 0.000 0.214 639 A C 0.209 177.697 177.584 -0.159 0.000 1.152 639 A CA 0.183 52.175 52.037 -0.075 0.000 0.728 639 A CB 0.083 18.969 19.000 -0.191 0.000 0.814 639 A HN 0.171 nan 8.150 nan 0.000 0.464 640 F N 0.649 120.710 119.950 0.186 0.000 2.390 640 F HA 0.452 4.977 4.527 -0.004 0.000 0.361 640 F C 0.377 176.286 175.800 0.182 0.000 1.124 640 F CA -0.555 57.573 58.000 0.213 0.000 1.149 640 F CB 1.274 40.516 39.000 0.403 0.000 1.160 640 F HN 0.069 nan 8.300 nan 0.000 0.501 641 V N 1.689 121.725 119.914 0.204 0.000 3.113 641 V HA 0.760 4.878 4.120 -0.003 0.000 0.316 641 V C -2.843 173.326 176.094 0.126 0.000 1.125 641 V CA -3.248 59.146 62.300 0.157 0.000 1.026 641 V CB 1.863 33.737 31.823 0.085 0.000 1.080 641 V HN 0.318 nan 8.190 nan 0.000 0.444 642 P HA 0.234 nan 4.420 nan 0.000 0.272 642 P C 0.668 177.975 177.300 0.012 0.000 1.223 642 P CA 0.219 63.393 63.100 0.124 0.000 0.784 642 P CB 0.850 32.674 31.700 0.207 0.000 0.923 643 S N -0.150 115.505 115.700 -0.074 0.000 2.527 643 S HA 0.047 4.515 4.470 -0.003 0.000 0.222 643 S C 0.444 174.842 174.600 -0.337 0.000 0.985 643 S CA 0.380 58.467 58.200 -0.189 0.000 0.921 643 S CB -0.306 62.777 63.200 -0.194 0.000 0.772 643 S HN 0.392 nan 8.310 nan 0.000 0.529 644 E N 1.105 121.008 120.200 -0.494 0.000 2.369 644 E HA 0.444 4.792 4.350 -0.003 0.000 0.270 644 E C -1.093 175.355 176.600 -0.253 0.000 0.909 644 E CA -0.724 55.319 56.400 -0.596 0.000 0.775 644 E CB 1.966 30.814 29.700 -1.420 0.000 1.270 644 E HN 0.131 nan 8.360 nan 0.000 0.445 645 S N 1.553 117.177 115.700 -0.127 0.000 2.549 645 S HA 0.060 4.528 4.470 -0.003 0.000 0.283 645 S C 0.029 174.728 174.600 0.164 0.000 1.320 645 S CA -0.133 58.080 58.200 0.022 0.000 1.058 645 S CB 0.106 63.316 63.200 0.016 0.000 0.882 645 S HN 0.562 nan 8.310 nan 0.000 0.498 646 D N -0.330 120.178 120.400 0.181 0.000 2.981 646 D HA -0.130 4.508 4.640 -0.003 0.000 0.223 646 D C -0.940 175.557 176.300 0.328 0.000 1.151 646 D CA 0.972 55.100 54.000 0.214 0.000 0.827 646 D CB -1.073 39.828 40.800 0.168 0.000 1.101 646 D HN 0.529 nan 8.370 nan 0.000 0.426 647 W N 0.079 121.383 121.300 0.008 0.000 2.576 647 W HA 0.733 5.391 4.660 -0.004 0.000 0.360 647 W C 0.556 177.091 176.519 0.027 0.000 1.109 647 W CA -0.413 56.929 57.345 -0.005 0.000 1.237 647 W CB 0.770 30.216 29.460 -0.023 0.000 1.369 647 W HN -0.173 nan 8.180 nan 0.000 0.609 648 L N 2.684 124.038 121.223 0.217 0.000 2.359 648 L HA 0.503 4.841 4.340 -0.003 0.000 0.256 648 L C -0.684 176.311 176.870 0.207 0.000 1.026 648 L CA -1.357 53.606 54.840 0.204 0.000 0.828 648 L CB 1.750 43.921 42.059 0.187 0.000 1.406 648 L HN 0.000 nan 8.230 nan 0.000 0.413 649 I N 1.403 122.116 120.570 0.238 0.000 2.353 649 I HA 0.294 4.462 4.170 -0.003 0.000 0.293 649 I C -0.696 175.598 176.117 0.295 0.000 0.992 649 I CA -0.009 61.422 61.300 0.220 0.000 1.268 649 I CB 1.107 39.227 38.000 0.200 0.000 1.387 649 I HN 0.334 nan 8.210 nan 0.000 0.478 650 F N 5.718 125.724 119.950 0.094 0.000 2.493 650 F HA 0.722 5.246 4.527 -0.004 0.000 0.329 650 F C -0.453 175.405 175.800 0.097 0.000 1.126 650 F CA -0.593 57.483 58.000 0.127 0.000 0.937 650 F CB 1.533 40.547 39.000 0.024 0.000 1.146 650 F HN 0.491 nan 8.300 nan 0.000 0.442 651 A N 4.697 127.428 122.820 -0.148 0.000 2.343 651 A HA 0.903 5.221 4.320 -0.003 0.000 0.308 651 A C -1.458 176.060 177.584 -0.111 0.000 1.092 651 A CA -0.303 51.731 52.037 -0.004 0.000 0.751 651 A CB 0.906 19.988 19.000 0.137 0.000 1.203 651 A HN 1.224 nan 8.150 nan 0.000 0.452 652 A N 3.099 125.939 122.820 0.034 0.000 2.356 652 A HA 0.770 5.088 4.320 -0.003 0.000 0.310 652 A C -1.047 176.534 177.584 -0.005 0.000 1.075 652 A CA -0.509 51.545 52.037 0.028 0.000 0.746 652 A CB 0.923 19.998 19.000 0.124 0.000 1.221 652 A HN 0.901 nan 8.150 nan 0.000 0.443 653 D N 1.378 121.767 120.400 -0.019 0.000 2.738 653 D HA 0.399 5.037 4.640 -0.003 0.000 0.237 653 D C -1.321 174.957 176.300 -0.036 0.000 1.123 653 D CA -0.350 53.649 54.000 -0.001 0.000 0.856 653 D CB 0.929 41.781 40.800 0.086 0.000 1.552 653 D HN 0.346 nan 8.370 nan 0.000 0.480 654 Y N 0.531 120.860 120.300 0.048 0.000 2.425 654 Y HA 0.177 4.725 4.550 -0.003 0.000 0.331 654 Y C 1.349 177.259 175.900 0.017 0.000 1.157 654 Y CA 0.156 58.267 58.100 0.018 0.000 1.372 654 Y CB 1.188 39.643 38.460 -0.009 0.000 1.253 654 Y HN 0.311 nan 8.280 nan 0.000 0.536 655 S N 4.432 120.234 115.700 0.169 0.000 2.430 655 S HA 0.134 4.602 4.470 -0.003 0.000 0.289 655 S C -0.347 174.290 174.600 0.061 0.000 1.143 655 S CA -0.684 57.580 58.200 0.107 0.000 1.067 655 S CB -0.014 63.238 63.200 0.087 0.000 0.964 655 S HN 0.710 nan 8.310 nan 0.000 0.485 656 Q N 2.805 122.639 119.800 0.057 0.000 2.435 656 Q HA -0.222 4.116 4.340 -0.003 0.000 0.312 656 Q C 0.663 176.571 176.000 -0.154 0.000 1.333 656 Q CA 0.735 56.536 55.803 -0.004 0.000 0.883 656 Q CB -2.092 26.695 28.738 0.081 0.000 1.170 656 Q HN 0.918 nan 8.270 nan 0.000 0.443 657 I N -0.569 119.929 120.570 -0.121 0.000 2.286 657 I HA -0.288 3.879 4.170 -0.003 0.000 0.248 657 I C 1.686 177.641 176.117 -0.270 0.000 1.115 657 I CA 1.689 62.840 61.300 -0.248 0.000 1.392 657 I CB 0.358 38.157 38.000 -0.336 0.000 1.065 657 I HN 0.239 nan 8.210 nan 0.000 0.418 658 E N 0.901 120.977 120.200 -0.207 0.000 2.051 658 E HA -0.201 4.147 4.350 -0.003 0.000 0.192 658 E C 2.121 178.606 176.600 -0.193 0.000 0.991 658 E CA 1.421 57.696 56.400 -0.209 0.000 0.799 658 E CB -0.335 29.227 29.700 -0.230 0.000 0.748 658 E HN 0.482 nan 8.360 nan 0.000 0.449 659 L N 0.168 121.299 121.223 -0.154 0.000 2.217 659 L HA -0.076 4.262 4.340 -0.003 0.000 0.211 659 L C 2.359 179.115 176.870 -0.191 0.000 1.107 659 L CA 0.895 55.700 54.840 -0.058 0.000 0.783 659 L CB -0.189 41.980 42.059 0.182 0.000 0.919 659 L HN 0.057 nan 8.230 nan 0.000 0.442 660 R N -0.759 119.404 120.500 -0.563 0.000 2.075 660 R HA -0.096 4.242 4.340 -0.003 0.000 0.232 660 R C 2.268 178.383 176.300 -0.308 0.000 1.126 660 R CA 0.934 56.602 56.100 -0.721 0.000 0.963 660 R CB -0.336 29.491 30.300 -0.789 0.000 0.858 660 R HN 0.131 nan 8.270 nan 0.000 0.435 661 V N 1.410 121.165 119.914 -0.264 0.000 2.343 661 V HA -0.229 3.889 4.120 -0.003 0.000 0.247 661 V C 2.155 178.172 176.094 -0.130 0.000 1.051 661 V CA 1.499 63.689 62.300 -0.183 0.000 1.036 661 V CB -0.408 31.294 31.823 -0.202 0.000 0.654 661 V HN 0.252 nan 8.190 nan 0.000 0.451 662 L N 0.985 122.114 121.223 -0.157 0.000 2.046 662 L HA -0.087 4.251 4.340 -0.003 0.000 0.208 662 L C 2.450 179.245 176.870 -0.125 0.000 1.077 662 L CA 2.410 57.139 54.840 -0.184 0.000 0.747 662 L CB -1.033 40.950 42.059 -0.125 0.000 0.896 662 L HN 0.218 nan 8.230 nan 0.000 0.432 663 A N -1.239 121.567 122.820 -0.023 0.000 1.908 663 A HA -0.323 3.994 4.320 -0.003 0.000 0.218 663 A C 2.287 179.880 177.584 0.016 0.000 1.181 663 A CA 1.955 54.024 52.037 0.052 0.000 0.627 663 A CB -1.093 18.018 19.000 0.185 0.000 0.818 663 A HN 0.760 nan 8.150 nan 0.000 0.445 664 H N 0.710 119.725 119.070 -0.092 0.000 2.270 664 H HA -0.097 4.456 4.556 -0.004 0.000 0.299 664 H C 1.891 177.155 175.328 -0.106 0.000 1.077 664 H CA 2.235 58.229 56.048 -0.091 0.000 1.294 664 H CB -0.348 29.345 29.762 -0.114 0.000 1.371 664 H HN 0.524 nan 8.280 nan 0.000 0.491 665 I N -1.588 118.891 120.570 -0.151 0.000 2.394 665 I HA -0.016 4.152 4.170 -0.003 0.000 0.251 665 I C 2.280 178.237 176.117 -0.265 0.000 1.136 665 I CA 1.609 62.763 61.300 -0.243 0.000 1.425 665 I CB -0.472 37.379 38.000 -0.248 0.000 1.079 665 I HN 0.319 nan 8.210 nan 0.000 0.425 666 A N 0.408 123.062 122.820 -0.276 0.000 2.132 666 A HA 0.056 4.374 4.320 -0.003 0.000 0.213 666 A C 1.160 178.721 177.584 -0.039 0.000 1.154 666 A CA 0.297 52.260 52.037 -0.125 0.000 0.753 666 A CB -0.491 18.455 19.000 -0.090 0.000 0.826 666 A HN 0.602 nan 8.150 nan 0.000 0.469 667 E N 0.700 120.852 120.200 -0.080 0.000 2.297 667 E HA -0.190 4.158 4.350 -0.003 0.000 0.228 667 E C -0.653 175.955 176.600 0.014 0.000 1.213 667 E CA 0.635 57.006 56.400 -0.048 0.000 0.712 667 E CB -1.300 28.363 29.700 -0.063 0.000 1.202 667 E HN 0.715 nan 8.360 nan 0.000 0.376 668 D N 0.662 121.091 120.400 0.049 0.000 2.325 668 D HA -0.001 4.637 4.640 -0.003 0.000 0.251 668 D C 0.772 177.130 176.300 0.098 0.000 1.196 668 D CA -0.262 53.799 54.000 0.101 0.000 0.866 668 D CB 0.765 41.666 40.800 0.168 0.000 1.101 668 D HN 0.015 nan 8.370 nan 0.000 0.476 669 D N 3.387 123.828 120.400 0.069 0.000 2.116 669 D HA -0.212 4.426 4.640 -0.003 0.000 0.193 669 D C 1.489 177.826 176.300 0.061 0.000 0.998 669 D CA 1.042 55.072 54.000 0.049 0.000 0.836 669 D CB 0.018 40.831 40.800 0.020 0.000 0.951 669 D HN 0.478 nan 8.370 nan 0.000 0.449 670 N N 0.158 118.901 118.700 0.072 0.000 2.106 670 N HA -0.119 4.619 4.740 -0.003 0.000 0.188 670 N C 1.694 177.318 175.510 0.190 0.000 1.029 670 N CA 0.511 53.601 53.050 0.066 0.000 0.848 670 N CB -0.382 38.046 38.487 -0.098 0.000 1.007 670 N HN 0.050 nan 8.380 nan 0.000 0.423 671 L N 0.468 121.875 121.223 0.306 0.000 2.093 671 L HA 0.060 4.398 4.340 -0.003 0.000 0.208 671 L C 2.168 179.123 176.870 0.141 0.000 1.085 671 L CA 1.418 56.360 54.840 0.170 0.000 0.755 671 L CB -0.491 41.616 42.059 0.080 0.000 0.904 671 L HN 0.273 nan 8.230 nan 0.000 0.435 672 M N -1.222 118.471 119.600 0.155 0.000 2.117 672 M HA -0.200 4.278 4.480 -0.003 0.000 0.262 672 M C 2.153 178.526 176.300 0.122 0.000 1.065 672 M CA 1.783 57.181 55.300 0.163 0.000 1.114 672 M CB -0.405 32.259 32.600 0.106 0.000 1.361 672 M HN 0.224 nan 8.290 nan 0.000 0.408 673 E N 0.937 121.179 120.200 0.071 0.000 2.077 673 E HA -0.138 4.210 4.350 -0.003 0.000 0.193 673 E C 1.833 178.437 176.600 0.008 0.000 0.989 673 E CA 1.838 58.260 56.400 0.037 0.000 0.800 673 E CB -0.161 29.549 29.700 0.016 0.000 0.746 673 E HN 0.388 nan 8.360 nan 0.000 0.452 674 A N -0.240 122.554 122.820 -0.043 0.000 1.883 674 A HA -0.153 4.165 4.320 -0.003 0.000 0.217 674 A C 2.042 179.502 177.584 -0.206 0.000 1.186 674 A CA 1.623 53.557 52.037 -0.170 0.000 0.624 674 A CB -0.952 17.866 19.000 -0.303 0.000 0.822 674 A HN 0.377 nan 8.150 nan 0.000 0.444 675 F N -0.411 119.545 119.950 0.010 0.000 2.325 675 F HA 0.027 4.552 4.527 -0.003 0.000 0.299 675 F C 2.433 178.237 175.800 0.006 0.000 1.090 675 F CA 1.084 59.084 58.000 -0.001 0.000 1.392 675 F CB -0.313 38.682 39.000 -0.008 0.000 1.053 675 F HN 0.104 nan 8.300 nan 0.000 0.521 676 R N -0.159 120.438 120.500 0.162 0.000 2.189 676 R HA -0.047 4.291 4.340 -0.003 0.000 0.223 676 R C 1.814 178.153 176.300 0.066 0.000 1.092 676 R CA 0.860 57.021 56.100 0.101 0.000 0.989 676 R CB -0.156 30.188 30.300 0.074 0.000 0.876 676 R HN 0.228 nan 8.270 nan 0.000 0.457 677 R N 0.083 120.609 120.500 0.044 0.000 2.317 677 R HA -0.007 4.331 4.340 -0.003 0.000 0.208 677 R C -0.143 176.172 176.300 0.025 0.000 0.914 677 R CA 0.158 56.271 56.100 0.021 0.000 1.060 677 R CB 0.203 30.501 30.300 -0.004 0.000 1.015 677 R HN 0.034 nan 8.270 nan 0.000 0.498 678 D N 1.051 121.484 120.400 0.055 0.000 2.723 678 D HA -0.166 4.472 4.640 -0.003 0.000 0.236 678 D C -0.756 175.555 176.300 0.019 0.000 1.138 678 D CA 0.515 54.560 54.000 0.074 0.000 0.676 678 D CB -1.006 39.836 40.800 0.069 0.000 1.069 678 D HN 0.176 nan 8.370 nan 0.000 0.430 679 L N 0.059 121.256 121.223 -0.043 0.000 2.464 679 L HA 0.189 4.527 4.340 -0.003 0.000 0.264 679 L C 1.222 178.038 176.870 -0.089 0.000 1.199 679 L CA -0.315 54.481 54.840 -0.073 0.000 0.818 679 L CB 0.354 42.346 42.059 -0.112 0.000 1.102 679 L HN 0.147 nan 8.230 nan 0.000 0.473 680 D N 1.521 121.883 120.400 -0.064 0.000 2.346 680 D HA -0.025 4.613 4.640 -0.003 0.000 0.260 680 D C 0.778 176.998 176.300 -0.134 0.000 1.252 680 D CA -0.145 53.815 54.000 -0.067 0.000 0.895 680 D CB 1.097 41.888 40.800 -0.014 0.000 1.097 680 D HN 0.388 nan 8.370 nan 0.000 0.489 681 I N 5.427 125.850 120.570 -0.246 0.000 2.361 681 I HA -0.246 3.922 4.170 -0.003 0.000 0.251 681 I C 1.796 177.796 176.117 -0.196 0.000 1.133 681 I CA 1.361 62.471 61.300 -0.318 0.000 1.413 681 I CB -0.212 37.559 38.000 -0.382 0.000 1.073 681 I HN 0.494 nan 8.210 nan 0.000 0.424 682 H N -0.699 118.377 119.070 0.010 0.000 2.363 682 H HA 0.002 4.556 4.556 -0.004 0.000 0.301 682 H C 2.206 177.550 175.328 0.026 0.000 1.074 682 H CA 1.790 57.855 56.048 0.029 0.000 1.354 682 H CB -0.978 28.811 29.762 0.045 0.000 1.397 682 H HN 0.269 nan 8.280 nan 0.000 0.516 683 T N 1.244 115.869 114.554 0.117 0.000 2.746 683 T HA -0.133 4.215 4.350 -0.003 0.000 0.267 683 T C 2.110 176.836 174.700 0.044 0.000 1.039 683 T CA 1.725 63.871 62.100 0.076 0.000 1.142 683 T CB 0.068 68.964 68.868 0.047 0.000 0.866 683 T HN 0.169 nan 8.240 nan 0.000 0.444 684 K N 1.263 121.668 120.400 0.007 0.000 2.057 684 K HA -0.054 4.264 4.320 -0.003 0.000 0.207 684 K C 2.231 178.852 176.600 0.034 0.000 1.049 684 K CA 1.702 57.987 56.287 -0.005 0.000 0.931 684 K CB -0.962 31.507 32.500 -0.052 0.000 0.714 684 K HN 0.210 nan 8.250 nan 0.000 0.440 685 T N 0.432 115.027 114.554 0.069 0.000 2.788 685 T HA -0.080 4.268 4.350 -0.003 0.000 0.268 685 T C 1.800 176.485 174.700 -0.024 0.000 1.044 685 T CA 1.374 63.543 62.100 0.116 0.000 1.139 685 T CB -0.484 68.479 68.868 0.158 0.000 0.867 685 T HN 0.402 nan 8.240 nan 0.000 0.454 686 A N 1.368 124.185 122.820 -0.005 0.000 1.902 686 A HA -0.040 4.278 4.320 -0.003 0.000 0.217 686 A C 2.328 179.919 177.584 0.012 0.000 1.181 686 A CA 1.482 53.512 52.037 -0.011 0.000 0.623 686 A CB -0.688 18.427 19.000 0.192 0.000 0.818 686 A HN 0.450 nan 8.150 nan 0.000 0.443 687 M N -0.406 119.210 119.600 0.026 0.000 2.108 687 M HA -0.187 4.291 4.480 -0.003 0.000 0.261 687 M C 1.507 177.779 176.300 -0.046 0.000 1.066 687 M CA 1.800 57.109 55.300 0.015 0.000 1.107 687 M CB -0.518 32.080 32.600 -0.003 0.000 1.356 687 M HN 0.341 nan 8.290 nan 0.000 0.406 688 D N 0.507 120.840 120.400 -0.112 0.000 2.091 688 D HA -0.076 4.562 4.640 -0.003 0.000 0.199 688 D C 1.917 178.085 176.300 -0.220 0.000 0.980 688 D CA 1.445 55.328 54.000 -0.194 0.000 0.831 688 D CB -0.438 40.169 40.800 -0.322 0.000 0.987 688 D HN 0.531 nan 8.370 nan 0.000 0.460 689 I N -2.315 118.066 120.570 -0.315 0.000 2.394 689 I HA -0.125 4.043 4.170 -0.003 0.000 0.251 689 I C 1.297 177.191 176.117 -0.371 0.000 1.136 689 I CA 1.224 62.273 61.300 -0.418 0.000 1.425 689 I CB -0.370 37.241 38.000 -0.648 0.000 1.079 689 I HN -0.231 nan 8.210 nan 0.000 0.425 690 F N 1.278 121.195 119.950 -0.056 0.000 2.727 690 F HA 0.298 4.823 4.527 -0.003 0.000 0.302 690 F C 0.539 176.324 175.800 -0.025 0.000 1.097 690 F CA -0.731 57.245 58.000 -0.039 0.000 1.330 690 F CB -0.460 38.510 39.000 -0.051 0.000 1.084 690 F HN 0.064 nan 8.300 nan 0.000 0.578 691 Q N 1.100 120.949 119.800 0.082 0.000 2.453 691 Q HA -0.135 4.203 4.340 -0.003 0.000 0.350 691 Q C -0.593 175.439 176.000 0.054 0.000 1.447 691 Q CA 0.774 56.600 55.803 0.039 0.000 0.968 691 Q CB -1.744 27.013 28.738 0.032 0.000 1.175 691 Q HN 0.381 nan 8.270 nan 0.000 0.354 692 V N -2.884 117.062 119.914 0.052 0.000 3.188 692 V HA 0.865 4.983 4.120 -0.003 0.000 0.305 692 V C 0.400 176.509 176.094 0.025 0.000 1.232 692 V CA -0.433 61.892 62.300 0.043 0.000 1.043 692 V CB 2.220 34.081 31.823 0.063 0.000 1.068 692 V HN 0.464 nan 8.190 nan 0.000 0.439 693 S N -0.299 115.411 115.700 0.016 0.000 2.624 693 S HA 0.308 4.775 4.470 -0.003 0.000 0.263 693 S C 0.936 175.544 174.600 0.013 0.000 1.287 693 S CA 0.599 58.803 58.200 0.007 0.000 0.990 693 S CB 1.069 64.271 63.200 0.003 0.000 0.950 693 S HN 1.083 nan 8.310 nan 0.000 0.561 694 E N 0.469 120.673 120.200 0.007 0.000 2.085 694 E HA -0.235 4.113 4.350 -0.003 0.000 0.194 694 E C 0.915 177.523 176.600 0.013 0.000 0.994 694 E CA 1.665 58.072 56.400 0.011 0.000 0.801 694 E CB -0.251 29.452 29.700 0.004 0.000 0.743 694 E HN 0.721 nan 8.360 nan 0.000 0.453 695 D N 0.364 120.769 120.400 0.008 0.000 2.263 695 D HA -0.138 4.500 4.640 -0.003 0.000 0.208 695 D C 1.173 177.478 176.300 0.008 0.000 0.971 695 D CA 0.918 54.922 54.000 0.006 0.000 0.867 695 D CB -0.054 40.747 40.800 0.003 0.000 0.929 695 D HN 0.410 nan 8.370 nan 0.000 0.492 696 E N 0.163 120.370 120.200 0.011 0.000 2.489 696 E HA 0.047 4.395 4.350 -0.003 0.000 0.193 696 E C 0.157 176.766 176.600 0.016 0.000 1.057 696 E CA -0.123 56.283 56.400 0.010 0.000 0.866 696 E CB 0.862 30.569 29.700 0.013 0.000 0.916 696 E HN -0.015 nan 8.360 nan 0.000 0.500 697 V N 3.138 123.068 119.914 0.027 0.000 2.439 697 V HA 0.008 4.126 4.120 -0.003 0.000 0.271 697 V C 0.749 176.855 176.094 0.019 0.000 1.040 697 V CA -0.033 62.291 62.300 0.041 0.000 1.002 697 V CB 0.513 32.373 31.823 0.062 0.000 1.000 697 V HN 0.226 nan 8.190 nan 0.000 0.477 698 T N 3.646 118.200 114.554 -0.001 0.000 2.874 698 T HA 0.357 4.705 4.350 -0.003 0.000 0.281 698 T C -1.705 172.992 174.700 -0.005 0.000 0.994 698 T CA -1.894 60.197 62.100 -0.015 0.000 1.015 698 T CB 1.548 70.391 68.868 -0.042 0.000 1.028 698 T HN 0.360 nan 8.240 nan 0.000 0.523 699 P HA -0.070 nan 4.420 nan 0.000 0.216 699 P C 1.411 178.708 177.300 -0.006 0.000 1.150 699 P CA 0.882 63.981 63.100 -0.002 0.000 0.837 699 P CB -0.016 31.680 31.700 -0.008 0.000 0.786 700 N N -1.341 117.345 118.700 -0.023 0.000 2.244 700 N HA -0.083 4.655 4.740 -0.003 0.000 0.183 700 N C 1.612 177.104 175.510 -0.030 0.000 1.016 700 N CA 1.187 54.219 53.050 -0.029 0.000 0.866 700 N CB -0.551 37.908 38.487 -0.046 0.000 0.980 700 N HN 0.031 nan 8.380 nan 0.000 0.430 701 M N -0.427 119.140 119.600 -0.055 0.000 2.132 701 M HA -0.093 4.385 4.480 -0.003 0.000 0.263 701 M C 2.283 178.686 176.300 0.170 0.000 1.065 701 M CA 1.208 56.494 55.300 -0.023 0.000 1.122 701 M CB -0.166 32.401 32.600 -0.056 0.000 1.365 701 M HN 0.115 nan 8.290 nan 0.000 0.411 702 R N 0.353 120.915 120.500 0.103 0.000 2.096 702 R HA -0.156 4.182 4.340 -0.003 0.000 0.235 702 R C 2.313 178.647 176.300 0.057 0.000 1.127 702 R CA 1.546 57.709 56.100 0.104 0.000 0.968 702 R CB -0.188 30.160 30.300 0.080 0.000 0.861 702 R HN 0.266 nan 8.270 nan 0.000 0.440 703 R N 0.384 120.900 120.500 0.027 0.000 2.091 703 R HA -0.163 4.174 4.340 -0.003 0.000 0.238 703 R C 2.110 178.415 176.300 0.009 0.000 1.136 703 R CA 1.976 58.071 56.100 -0.010 0.000 0.959 703 R CB -0.070 30.224 30.300 -0.010 0.000 0.856 703 R HN 0.408 nan 8.270 nan 0.000 0.437 704 Q N -0.589 119.251 119.800 0.066 0.000 2.123 704 Q HA -0.060 4.278 4.340 -0.003 0.000 0.199 704 Q C 2.102 178.137 176.000 0.058 0.000 0.966 704 Q CA 1.245 57.110 55.803 0.103 0.000 0.845 704 Q CB 0.017 28.859 28.738 0.172 0.000 0.907 704 Q HN 0.426 nan 8.270 nan 0.000 0.439 705 A N 1.741 124.602 122.820 0.069 0.000 1.930 705 A HA -0.201 4.117 4.320 -0.003 0.000 0.217 705 A C 2.034 179.643 177.584 0.043 0.000 1.175 705 A CA 1.496 53.542 52.037 0.015 0.000 0.627 705 A CB -0.360 18.671 19.000 0.051 0.000 0.815 705 A HN 0.203 nan 8.150 nan 0.000 0.443 706 K N -0.225 120.153 120.400 -0.037 0.000 2.097 706 K HA -0.052 4.266 4.320 -0.003 0.000 0.206 706 K C 2.048 178.605 176.600 -0.070 0.000 1.049 706 K CA 1.137 57.264 56.287 -0.266 0.000 0.933 706 K CB -0.289 31.893 32.500 -0.530 0.000 0.717 706 K HN 0.362 nan 8.250 nan 0.000 0.442 707 A N 0.525 123.339 122.820 -0.011 0.000 1.930 707 A HA -0.066 4.252 4.320 -0.003 0.000 0.217 707 A C 2.169 179.833 177.584 0.133 0.000 1.175 707 A CA 1.295 53.363 52.037 0.052 0.000 0.627 707 A CB -0.439 18.584 19.000 0.037 0.000 0.815 707 A HN 0.157 nan 8.150 nan 0.000 0.443 708 V N 1.034 120.995 119.914 0.079 0.000 2.295 708 V HA -0.251 3.866 4.120 -0.003 0.000 0.246 708 V C 2.277 178.359 176.094 -0.020 0.000 1.049 708 V CA 2.110 64.424 62.300 0.022 0.000 1.024 708 V CB -0.932 30.869 31.823 -0.037 0.000 0.648 708 V HN 0.541 nan 8.190 nan 0.000 0.447 709 N N -0.255 118.469 118.700 0.041 0.000 2.166 709 N HA -0.173 4.565 4.740 -0.003 0.000 0.186 709 N C 1.674 177.242 175.510 0.098 0.000 1.019 709 N CA 1.555 54.639 53.050 0.057 0.000 0.856 709 N CB -0.479 38.147 38.487 0.232 0.000 0.993 709 N HN 0.569 nan 8.380 nan 0.000 0.426 710 F N 1.327 121.299 119.950 0.037 0.000 2.134 710 F HA -0.022 4.503 4.527 -0.003 0.000 0.299 710 F C 2.196 178.071 175.800 0.124 0.000 1.097 710 F CA 1.534 59.599 58.000 0.108 0.000 1.264 710 F CB -0.477 38.594 39.000 0.118 0.000 1.001 710 F HN 0.002 nan 8.300 nan 0.000 0.479 711 G N 0.883 109.844 108.800 0.268 0.000 2.422 711 G HA2 -0.194 3.764 3.960 -0.003 0.000 0.218 711 G HA3 -0.194 3.764 3.960 -0.003 0.000 0.218 711 G C 1.582 176.474 174.900 -0.013 0.000 1.140 711 G CA 0.982 46.175 45.100 0.155 0.000 0.775 711 G HN 0.349 nan 8.290 nan 0.000 0.545 712 I N 0.917 121.430 120.570 -0.096 0.000 2.286 712 I HA -0.065 4.103 4.170 -0.003 0.000 0.245 712 I C 2.918 178.931 176.117 -0.174 0.000 1.104 712 I CA 0.626 61.837 61.300 -0.149 0.000 1.397 712 I CB -1.081 36.777 38.000 -0.238 0.000 1.072 712 I HN 0.025 nan 8.210 nan 0.000 0.417 713 V N -0.116 119.637 119.914 -0.267 0.000 2.407 713 V HA -0.258 3.860 4.120 -0.003 0.000 0.248 713 V C 1.992 177.688 176.094 -0.664 0.000 1.055 713 V CA 1.698 63.712 62.300 -0.476 0.000 1.049 713 V CB -0.752 30.698 31.823 -0.620 0.000 0.662 713 V HN 0.317 nan 8.190 nan 0.000 0.455 714 Y N -0.132 119.985 120.300 -0.305 0.000 2.458 714 Y HA 0.469 5.017 4.550 -0.004 0.000 0.256 714 Y C 1.803 177.631 175.900 -0.121 0.000 1.159 714 Y CA 0.076 58.023 58.100 -0.256 0.000 1.261 714 Y CB 0.065 38.273 38.460 -0.420 0.000 1.119 714 Y HN 0.287 nan 8.280 nan 0.000 0.524 715 G N 2.049 110.847 108.800 -0.003 0.000 2.272 715 G HA2 -0.304 3.654 3.960 -0.003 0.000 0.280 715 G HA3 -0.304 3.654 3.960 -0.003 0.000 0.280 715 G C 0.297 175.243 174.900 0.078 0.000 1.067 715 G CA 0.409 45.520 45.100 0.019 0.000 0.902 715 G HN 0.539 nan 8.290 nan 0.000 0.500 716 I N -1.324 119.315 120.570 0.115 0.000 2.823 716 I HA 0.713 4.881 4.170 -0.003 0.000 0.290 716 I C 0.888 177.093 176.117 0.148 0.000 1.091 716 I CA -0.311 61.086 61.300 0.162 0.000 1.365 716 I CB 1.177 39.297 38.000 0.199 0.000 1.427 716 I HN 0.374 nan 8.210 nan 0.000 0.583 717 S N 1.987 117.794 115.700 0.179 0.000 2.624 717 S HA 0.100 4.568 4.470 -0.003 0.000 0.263 717 S C 0.789 175.496 174.600 0.178 0.000 1.287 717 S CA -0.017 58.291 58.200 0.180 0.000 0.990 717 S CB 1.163 64.495 63.200 0.220 0.000 0.950 717 S HN 0.829 nan 8.310 nan 0.000 0.561 718 D N 0.042 120.551 120.400 0.183 0.000 2.218 718 D HA -0.232 4.406 4.640 -0.003 0.000 0.204 718 D C 1.472 177.879 176.300 0.178 0.000 0.976 718 D CA 1.337 55.435 54.000 0.163 0.000 0.853 718 D CB -0.679 40.219 40.800 0.165 0.000 0.939 718 D HN 0.671 nan 8.370 nan 0.000 0.481 719 Y N 1.709 122.065 120.300 0.095 0.000 2.200 719 Y HA 0.061 4.609 4.550 -0.003 0.000 0.290 719 Y C 2.588 178.536 175.900 0.080 0.000 1.137 719 Y CA 1.888 60.037 58.100 0.082 0.000 1.163 719 Y CB -0.509 38.003 38.460 0.088 0.000 0.988 719 Y HN 0.034 nan 8.280 nan 0.000 0.518 720 G N 0.117 108.970 108.800 0.087 0.000 2.408 720 G HA2 -0.257 3.701 3.960 -0.003 0.000 0.217 720 G HA3 -0.257 3.701 3.960 -0.003 0.000 0.217 720 G C 1.577 176.478 174.900 0.002 0.000 1.150 720 G CA 0.980 46.089 45.100 0.015 0.000 0.776 720 G HN 0.443 nan 8.290 nan 0.000 0.542 721 L N 1.290 122.547 121.223 0.055 0.000 2.056 721 L HA 0.235 4.572 4.340 -0.003 0.000 0.207 721 L C 3.037 179.915 176.870 0.014 0.000 1.078 721 L CA 2.018 56.899 54.840 0.068 0.000 0.749 721 L CB -0.670 41.452 42.059 0.105 0.000 0.901 721 L HN 0.213 nan 8.230 nan 0.000 0.433 722 A N -1.005 121.798 122.820 -0.029 0.000 1.908 722 A HA -0.273 4.045 4.320 -0.003 0.000 0.218 722 A C 2.182 179.698 177.584 -0.113 0.000 1.181 722 A CA 1.964 53.961 52.037 -0.068 0.000 0.627 722 A CB -0.570 18.391 19.000 -0.065 0.000 0.818 722 A HN 0.667 nan 8.150 nan 0.000 0.445 723 Q N -0.420 119.259 119.800 -0.201 0.000 2.046 723 Q HA -0.141 4.197 4.340 -0.003 0.000 0.200 723 Q C 1.855 177.795 176.000 -0.100 0.000 0.975 723 Q CA 1.371 57.056 55.803 -0.197 0.000 0.836 723 Q CB -0.229 28.335 28.738 -0.290 0.000 0.896 723 Q HN 0.628 nan 8.270 nan 0.000 0.428 724 N N 0.573 119.229 118.700 -0.072 0.000 2.166 724 N HA -0.107 4.631 4.740 -0.003 0.000 0.186 724 N C 1.447 176.934 175.510 -0.039 0.000 1.019 724 N CA 1.070 54.084 53.050 -0.060 0.000 0.856 724 N CB 0.010 38.463 38.487 -0.057 0.000 0.993 724 N HN 0.244 nan 8.380 nan 0.000 0.426 725 L N 0.192 121.411 121.223 -0.006 0.000 2.607 725 L HA 0.129 4.467 4.340 -0.003 0.000 0.228 725 L C 0.081 176.957 176.870 0.011 0.000 1.123 725 L CA -0.179 54.678 54.840 0.029 0.000 0.890 725 L CB -0.385 41.738 42.059 0.106 0.000 1.103 725 L HN 0.097 nan 8.230 nan 0.000 0.468 726 N N 1.702 120.391 118.700 -0.018 0.000 2.714 726 N HA -0.217 4.521 4.740 -0.003 0.000 0.253 726 N C -0.535 174.965 175.510 -0.016 0.000 1.024 726 N CA 0.731 53.769 53.050 -0.020 0.000 0.726 726 N CB -0.983 37.498 38.487 -0.008 0.000 0.908 726 N HN 0.599 nan 8.380 nan 0.000 0.542 727 I N -3.931 116.619 120.570 -0.032 0.000 3.322 727 I HA 0.659 4.827 4.170 -0.003 0.000 0.313 727 I C 0.382 176.470 176.117 -0.049 0.000 1.129 727 I CA -0.999 60.273 61.300 -0.046 0.000 0.963 727 I CB 1.693 39.641 38.000 -0.087 0.000 1.273 727 I HN 0.163 nan 8.210 nan 0.000 0.473 728 S N 0.879 116.547 115.700 -0.053 0.000 2.617 728 S HA 0.321 4.789 4.470 -0.003 0.000 0.269 728 S C 0.925 175.512 174.600 -0.021 0.000 1.292 728 S CA -0.527 57.660 58.200 -0.023 0.000 1.010 728 S CB 1.622 64.812 63.200 -0.017 0.000 0.944 728 S HN 0.876 nan 8.310 nan 0.000 0.536 729 R N 1.170 121.693 120.500 0.038 0.000 2.105 729 R HA -0.144 4.194 4.340 -0.003 0.000 0.239 729 R C 2.156 178.475 176.300 0.033 0.000 1.135 729 R CA 1.778 57.922 56.100 0.073 0.000 0.967 729 R CB -0.386 30.006 30.300 0.153 0.000 0.861 729 R HN 0.868 nan 8.270 nan 0.000 0.442 730 K N 0.615 121.023 120.400 0.013 0.000 2.057 730 K HA -0.164 4.154 4.320 -0.003 0.000 0.207 730 K C 1.723 178.293 176.600 -0.051 0.000 1.049 730 K CA 1.827 58.114 56.287 -0.000 0.000 0.931 730 K CB 0.027 32.528 32.500 0.001 0.000 0.714 730 K HN 0.265 nan 8.250 nan 0.000 0.440 731 E N -0.178 119.952 120.200 -0.116 0.000 2.106 731 E HA -0.156 4.192 4.350 -0.003 0.000 0.192 731 E C 1.914 178.256 176.600 -0.431 0.000 0.984 731 E CA 0.890 57.129 56.400 -0.269 0.000 0.806 731 E CB -0.053 29.462 29.700 -0.309 0.000 0.750 731 E HN 0.439 nan 8.360 nan 0.000 0.458 732 A N 1.414 124.079 122.820 -0.259 0.000 1.898 732 A HA -0.095 4.223 4.320 -0.003 0.000 0.216 732 A C 2.374 179.949 177.584 -0.014 0.000 1.181 732 A CA 1.572 53.516 52.037 -0.155 0.000 0.620 732 A CB -0.545 18.440 19.000 -0.026 0.000 0.819 732 A HN 0.291 nan 8.150 nan 0.000 0.442 733 A N -0.137 122.691 122.820 0.014 0.000 1.933 733 A HA -0.159 4.158 4.320 -0.003 0.000 0.218 733 A C 1.891 179.534 177.584 0.098 0.000 1.175 733 A CA 1.578 53.662 52.037 0.080 0.000 0.628 733 A CB -0.498 18.554 19.000 0.087 0.000 0.814 733 A HN 0.639 nan 8.150 nan 0.000 0.444 734 E N -1.053 119.180 120.200 0.055 0.000 2.153 734 E HA -0.142 4.206 4.350 -0.003 0.000 0.194 734 E C 1.648 178.402 176.600 0.258 0.000 0.988 734 E CA 0.919 57.388 56.400 0.115 0.000 0.811 734 E CB -0.242 29.497 29.700 0.064 0.000 0.746 734 E HN 0.623 nan 8.360 nan 0.000 0.466 735 F N 0.833 120.825 119.950 0.071 0.000 2.113 735 F HA -0.104 4.421 4.527 -0.004 0.000 0.297 735 F C 2.184 177.985 175.800 0.002 0.000 1.103 735 F CA 0.668 58.697 58.000 0.049 0.000 1.248 735 F CB -0.717 38.319 39.000 0.061 0.000 0.999 735 F HN -0.003 nan 8.300 nan 0.000 0.475 736 I N -0.204 120.474 120.570 0.180 0.000 2.286 736 I HA -0.287 3.880 4.170 -0.003 0.000 0.248 736 I C 2.448 178.528 176.117 -0.063 0.000 1.115 736 I CA 1.503 62.769 61.300 -0.058 0.000 1.392 736 I CB -0.490 37.488 38.000 -0.037 0.000 1.065 736 I HN 0.170 nan 8.210 nan 0.000 0.418 737 E N 1.021 121.302 120.200 0.136 0.000 2.051 737 E HA -0.237 4.111 4.350 -0.003 0.000 0.192 737 E C 2.381 179.090 176.600 0.182 0.000 0.991 737 E CA 1.023 57.556 56.400 0.221 0.000 0.799 737 E CB 0.117 29.932 29.700 0.191 0.000 0.748 737 E HN 0.230 nan 8.360 nan 0.000 0.449 738 R N -0.271 120.313 120.500 0.140 0.000 2.120 738 R HA -0.153 4.185 4.340 -0.003 0.000 0.234 738 R C 2.161 178.486 176.300 0.042 0.000 1.123 738 R CA 1.150 57.297 56.100 0.079 0.000 0.975 738 R CB -0.895 29.438 30.300 0.055 0.000 0.866 738 R HN 0.407 nan 8.270 nan 0.000 0.446 739 Y N 0.311 120.567 120.300 -0.073 0.000 2.200 739 Y HA -0.202 4.346 4.550 -0.003 0.000 0.290 739 Y C 1.827 177.783 175.900 0.093 0.000 1.137 739 Y CA 1.426 59.503 58.100 -0.039 0.000 1.163 739 Y CB -0.342 38.003 38.460 -0.192 0.000 0.988 739 Y HN -0.135 nan 8.280 nan 0.000 0.518 740 F N 0.863 121.012 119.950 0.331 0.000 2.293 740 F HA -0.121 4.404 4.527 -0.003 0.000 0.300 740 F C 2.193 178.034 175.800 0.069 0.000 1.086 740 F CA 1.401 59.540 58.000 0.231 0.000 1.375 740 F CB -0.751 38.373 39.000 0.206 0.000 1.045 740 F HN 0.193 nan 8.300 nan 0.000 0.516 741 E N -0.712 119.596 120.200 0.180 0.000 2.152 741 E HA -0.104 4.244 4.350 -0.003 0.000 0.192 741 E C 2.186 178.725 176.600 -0.102 0.000 0.983 741 E CA 1.266 57.694 56.400 0.047 0.000 0.818 741 E CB -0.184 29.535 29.700 0.031 0.000 0.758 741 E HN 0.232 nan 8.360 nan 0.000 0.467 742 S N 0.142 115.691 115.700 -0.251 0.000 2.446 742 S HA 0.034 4.502 4.470 -0.003 0.000 0.225 742 S C 0.328 174.374 174.600 -0.924 0.000 1.016 742 S CA 0.560 58.386 58.200 -0.623 0.000 0.943 742 S CB 0.162 62.853 63.200 -0.849 0.000 0.786 742 S HN 0.108 nan 8.310 nan 0.000 0.508 743 F N 1.572 121.393 119.950 -0.214 0.000 2.523 743 F HA 0.360 4.885 4.527 -0.003 0.000 0.322 743 F C -1.922 173.913 175.800 0.058 0.000 1.361 743 F CA -2.377 55.542 58.000 -0.135 0.000 1.151 743 F CB 1.147 39.962 39.000 -0.310 0.000 1.391 743 F HN -0.030 nan 8.300 nan 0.000 0.566 744 P HA -0.141 nan 4.420 nan 0.000 0.219 744 P C 1.698 179.079 177.300 0.136 0.000 1.146 744 P CA 1.459 64.634 63.100 0.125 0.000 0.808 744 P CB 0.344 32.073 31.700 0.049 0.000 0.779 745 G N 0.350 109.240 108.800 0.150 0.000 2.408 745 G HA2 -0.177 3.781 3.960 -0.003 0.000 0.217 745 G HA3 -0.177 3.781 3.960 -0.003 0.000 0.217 745 G C 1.713 176.730 174.900 0.196 0.000 1.150 745 G CA 0.556 45.739 45.100 0.138 0.000 0.776 745 G HN 0.183 nan 8.290 nan 0.000 0.542 746 V N 0.706 120.790 119.914 0.283 0.000 2.427 746 V HA -0.122 3.995 4.120 -0.003 0.000 0.248 746 V C 2.650 178.950 176.094 0.344 0.000 1.051 746 V CA 2.129 64.653 62.300 0.373 0.000 1.048 746 V CB -0.315 31.815 31.823 0.511 0.000 0.666 746 V HN 0.419 nan 8.190 nan 0.000 0.456 747 K N 0.432 120.977 120.400 0.241 0.000 2.026 747 K HA -0.229 4.089 4.320 -0.003 0.000 0.208 747 K C 2.418 178.938 176.600 -0.133 0.000 1.048 747 K CA 1.754 57.928 56.287 -0.187 0.000 0.929 747 K CB -0.180 32.190 32.500 -0.218 0.000 0.713 747 K HN 0.313 nan 8.250 nan 0.000 0.439 748 R N -0.336 120.160 120.500 -0.007 0.000 2.096 748 R HA -0.213 4.125 4.340 -0.003 0.000 0.235 748 R C 2.356 178.658 176.300 0.003 0.000 1.127 748 R CA 1.737 57.831 56.100 -0.011 0.000 0.968 748 R CB -0.471 29.844 30.300 0.025 0.000 0.861 748 R HN 0.359 nan 8.270 nan 0.000 0.440 749 Y N 0.748 121.035 120.300 -0.022 0.000 2.145 749 Y HA -0.202 4.346 4.550 -0.004 0.000 0.286 749 Y C 2.049 177.928 175.900 -0.034 0.000 1.145 749 Y CA 1.750 59.840 58.100 -0.018 0.000 1.148 749 Y CB -0.160 38.308 38.460 0.012 0.000 0.981 749 Y HN -0.002 nan 8.280 nan 0.000 0.507 750 M N 0.515 119.938 119.600 -0.294 0.000 2.159 750 M HA -0.192 4.286 4.480 -0.003 0.000 0.263 750 M C 1.900 178.006 176.300 -0.325 0.000 1.063 750 M CA 1.798 56.875 55.300 -0.372 0.000 1.110 750 M CB -1.054 31.471 32.600 -0.125 0.000 1.374 750 M HN 0.454 nan 8.290 nan 0.000 0.411 751 E N 0.226 120.276 120.200 -0.249 0.000 2.046 751 E HA -0.131 4.217 4.350 -0.003 0.000 0.190 751 E C 1.781 178.271 176.600 -0.184 0.000 0.982 751 E CA 1.101 57.387 56.400 -0.191 0.000 0.800 751 E CB -0.271 29.338 29.700 -0.152 0.000 0.756 751 E HN 0.648 nan 8.360 nan 0.000 0.449 752 N N 0.668 119.256 118.700 -0.186 0.000 2.120 752 N HA -0.150 4.588 4.740 -0.003 0.000 0.188 752 N C 1.956 177.345 175.510 -0.203 0.000 1.024 752 N CA 0.523 53.480 53.050 -0.156 0.000 0.852 752 N CB -0.049 38.379 38.487 -0.099 0.000 1.003 752 N HN 0.031 nan 8.380 nan 0.000 0.424 753 I N 0.881 121.243 120.570 -0.346 0.000 2.315 753 I HA -0.165 4.003 4.170 -0.003 0.000 0.248 753 I C 1.857 177.829 176.117 -0.243 0.000 1.117 753 I CA 0.903 61.999 61.300 -0.339 0.000 1.404 753 I CB -0.087 37.550 38.000 -0.603 0.000 1.071 753 I HN -0.087 nan 8.210 nan 0.000 0.419 754 V N 0.362 120.136 119.914 -0.232 0.000 2.358 754 V HA -0.256 3.862 4.120 -0.003 0.000 0.246 754 V C 2.528 178.545 176.094 -0.129 0.000 1.047 754 V CA 1.572 63.774 62.300 -0.164 0.000 1.035 754 V CB -0.752 30.986 31.823 -0.143 0.000 0.658 754 V HN 0.431 nan 8.190 nan 0.000 0.452 755 Q N -0.247 119.477 119.800 -0.126 0.000 2.124 755 Q HA -0.217 4.121 4.340 -0.003 0.000 0.202 755 Q C 2.240 178.176 176.000 -0.107 0.000 0.977 755 Q CA 1.720 57.464 55.803 -0.098 0.000 0.850 755 Q CB -0.308 28.378 28.738 -0.086 0.000 0.901 755 Q HN 0.778 nan 8.270 nan 0.000 0.429 756 E N 0.103 120.226 120.200 -0.130 0.000 2.072 756 E HA -0.141 4.207 4.350 -0.003 0.000 0.191 756 E C 1.816 178.305 176.600 -0.184 0.000 0.985 756 E CA 0.924 57.234 56.400 -0.150 0.000 0.801 756 E CB 0.058 29.666 29.700 -0.153 0.000 0.750 756 E HN 0.277 nan 8.360 nan 0.000 0.452 757 A N 1.541 124.261 122.820 -0.167 0.000 1.933 757 A HA -0.220 4.098 4.320 -0.003 0.000 0.218 757 A C 2.115 179.633 177.584 -0.109 0.000 1.175 757 A CA 1.769 53.712 52.037 -0.155 0.000 0.628 757 A CB -0.468 18.461 19.000 -0.118 0.000 0.814 757 A HN 0.209 nan 8.150 nan 0.000 0.444 758 K N -0.829 119.519 120.400 -0.088 0.000 2.097 758 K HA -0.173 4.144 4.320 -0.003 0.000 0.205 758 K C 2.328 178.897 176.600 -0.052 0.000 1.050 758 K CA 1.411 57.666 56.287 -0.054 0.000 0.938 758 K CB -0.150 32.322 32.500 -0.047 0.000 0.718 758 K HN 0.553 nan 8.250 nan 0.000 0.442 759 Q N 1.043 120.796 119.800 -0.078 0.000 2.049 759 Q HA -0.140 4.198 4.340 -0.003 0.000 0.198 759 Q C 1.446 177.400 176.000 -0.077 0.000 0.971 759 Q CA 1.631 57.393 55.803 -0.069 0.000 0.833 759 Q CB 0.167 28.858 28.738 -0.078 0.000 0.896 759 Q HN 0.280 nan 8.270 nan 0.000 0.434 760 K N -1.473 118.830 120.400 -0.161 0.000 2.262 760 K HA 0.086 4.404 4.320 -0.003 0.000 0.200 760 K C 1.134 177.683 176.600 -0.085 0.000 1.049 760 K CA 0.661 56.818 56.287 -0.218 0.000 0.979 760 K CB 0.416 32.554 32.500 -0.603 0.000 0.773 760 K HN 0.449 nan 8.250 nan 0.000 0.474 761 G N 0.922 109.682 108.800 -0.066 0.000 2.176 761 G HA2 -0.256 3.702 3.960 -0.003 0.000 0.232 761 G HA3 -0.256 3.702 3.960 -0.003 0.000 0.232 761 G C -0.172 174.875 174.900 0.246 0.000 0.986 761 G CA 0.455 45.643 45.100 0.147 0.000 0.643 761 G HN 0.382 nan 8.290 nan 0.000 0.522 762 Y N -1.980 118.309 120.300 -0.017 0.000 2.689 762 Y HA 0.746 5.295 4.550 -0.003 0.000 0.333 762 Y C -0.347 175.472 175.900 -0.135 0.000 1.208 762 Y CA -1.251 56.756 58.100 -0.156 0.000 1.055 762 Y CB 0.888 39.047 38.460 -0.501 0.000 1.304 762 Y HN 1.006 nan 8.280 nan 0.000 0.455 763 V N -0.878 119.036 119.914 -0.000 0.000 3.074 763 V HA 1.004 5.122 4.120 -0.003 0.000 0.314 763 V C -0.458 175.691 176.094 0.092 0.000 1.117 763 V CA -0.226 62.057 62.300 -0.028 0.000 1.014 763 V CB 1.333 33.131 31.823 -0.042 0.000 1.057 763 V HN 1.398 nan 8.190 nan 0.000 0.438 764 T N -0.796 113.806 114.554 0.080 0.000 2.901 764 T HA 0.815 5.163 4.350 -0.003 0.000 0.293 764 T C -0.010 174.727 174.700 0.062 0.000 1.084 764 T CA 0.016 62.172 62.100 0.095 0.000 1.008 764 T CB 1.717 70.682 68.868 0.162 0.000 1.170 764 T HN 1.500 nan 8.240 nan 0.000 0.509 765 T N -0.508 114.071 114.554 0.040 0.000 2.922 765 T HA 0.485 4.833 4.350 -0.003 0.000 0.281 765 T C 1.267 175.955 174.700 -0.020 0.000 1.005 765 T CA -0.799 61.302 62.100 0.002 0.000 0.982 765 T CB 0.890 69.740 68.868 -0.031 0.000 1.158 765 T HN 0.513 nan 8.240 nan 0.000 0.566 766 L N 0.078 121.263 121.223 -0.064 0.000 2.043 766 L HA 0.096 4.433 4.340 -0.003 0.000 0.212 766 L C 1.772 178.484 176.870 -0.262 0.000 1.075 766 L CA 1.780 56.553 54.840 -0.113 0.000 0.752 766 L CB -0.775 41.209 42.059 -0.125 0.000 0.891 766 L HN 0.694 nan 8.230 nan 0.000 0.432 767 L N -1.182 119.889 121.223 -0.253 0.000 2.728 767 L HA 0.152 4.490 4.340 -0.003 0.000 0.235 767 L C 0.147 176.817 176.870 -0.334 0.000 1.197 767 L CA 0.021 54.642 54.840 -0.365 0.000 0.992 767 L CB -0.710 41.239 42.059 -0.184 0.000 1.263 767 L HN 0.491 nan 8.230 nan 0.000 0.484 768 H N -1.955 117.105 119.070 -0.017 0.000 3.049 768 H HA -0.163 4.391 4.556 -0.003 0.000 0.250 768 H C 1.021 176.321 175.328 -0.047 0.000 1.219 768 H CA 0.123 56.159 56.048 -0.020 0.000 1.117 768 H CB -0.939 28.814 29.762 -0.016 0.000 1.251 768 H HN 0.389 nan 8.280 nan 0.000 0.338 769 R N 1.652 122.165 120.500 0.022 0.000 2.641 769 R HA 0.393 4.731 4.340 -0.003 0.000 0.269 769 R C 0.281 176.548 176.300 -0.056 0.000 1.074 769 R CA -0.207 55.868 56.100 -0.041 0.000 1.133 769 R CB 0.744 31.009 30.300 -0.059 0.000 1.029 769 R HN 0.305 nan 8.270 nan 0.000 0.488 770 R N 2.017 122.437 120.500 -0.133 0.000 2.750 770 R HA 0.379 4.716 4.340 -0.003 0.000 0.281 770 R C -1.318 174.854 176.300 -0.214 0.000 0.972 770 R CA -0.814 55.168 56.100 -0.198 0.000 0.912 770 R CB 1.455 31.516 30.300 -0.399 0.000 1.187 770 R HN 0.632 nan 8.270 nan 0.000 0.464 771 R N 3.436 123.822 120.500 -0.190 0.000 2.502 771 R HA 0.242 4.580 4.340 -0.003 0.000 0.298 771 R C -1.634 174.601 176.300 -0.108 0.000 1.018 771 R CA -0.527 55.506 56.100 -0.112 0.000 0.899 771 R CB 0.848 31.126 30.300 -0.036 0.000 1.181 771 R HN 0.539 nan 8.270 nan 0.000 0.444 772 Y N 4.121 124.466 120.300 0.076 0.000 2.309 772 Y HA 0.258 4.806 4.550 -0.003 0.000 0.327 772 Y C 0.392 176.336 175.900 0.074 0.000 1.172 772 Y CA -0.196 57.969 58.100 0.107 0.000 1.280 772 Y CB 1.134 39.636 38.460 0.071 0.000 1.234 772 Y HN 0.422 nan 8.280 nan 0.000 0.512 773 L N 6.252 127.602 121.223 0.211 0.000 2.556 773 L HA 0.262 4.600 4.340 -0.003 0.000 0.243 773 L C -1.704 175.232 176.870 0.109 0.000 1.331 773 L CA -1.331 53.579 54.840 0.117 0.000 0.927 773 L CB 1.099 43.181 42.059 0.038 0.000 1.219 773 L HN 0.508 nan 8.230 nan 0.000 0.490 774 P HA -0.166 nan 4.420 nan 0.000 0.219 774 P C 0.455 177.795 177.300 0.067 0.000 1.146 774 P CA 1.136 64.289 63.100 0.088 0.000 0.808 774 P CB 0.423 32.169 31.700 0.076 0.000 0.779 775 D N -0.493 119.951 120.400 0.074 0.000 2.371 775 D HA -0.050 4.588 4.640 -0.003 0.000 0.221 775 D C 1.710 178.035 176.300 0.042 0.000 0.986 775 D CA 0.211 54.251 54.000 0.067 0.000 0.899 775 D CB -0.637 40.224 40.800 0.102 0.000 0.902 775 D HN 0.163 nan 8.370 nan 0.000 0.530 776 I N 0.881 121.468 120.570 0.029 0.000 2.700 776 I HA -0.192 3.976 4.170 -0.003 0.000 0.261 776 I C 1.814 177.933 176.117 0.003 0.000 1.219 776 I CA 1.242 62.543 61.300 0.001 0.000 1.463 776 I CB -0.127 37.866 38.000 -0.011 0.000 1.092 776 I HN -0.034 nan 8.210 nan 0.000 0.452 777 T N -3.397 111.167 114.554 0.017 0.000 3.069 777 T HA 0.195 4.543 4.350 -0.003 0.000 0.252 777 T C 0.972 175.686 174.700 0.024 0.000 1.053 777 T CA 0.125 62.235 62.100 0.018 0.000 0.964 777 T CB -0.487 68.393 68.868 0.020 0.000 1.005 777 T HN 0.208 nan 8.240 nan 0.000 0.532 778 S N 1.072 116.789 115.700 0.028 0.000 2.558 778 S HA 0.190 4.658 4.470 -0.003 0.000 0.288 778 S C 0.957 175.580 174.600 0.040 0.000 1.318 778 S CA -0.505 57.715 58.200 0.034 0.000 1.056 778 S CB 0.455 63.678 63.200 0.037 0.000 0.853 778 S HN 0.368 nan 8.310 nan 0.000 0.505 779 R N 2.553 123.079 120.500 0.044 0.000 2.335 779 R HA 0.257 4.595 4.340 -0.003 0.000 0.223 779 R C 0.164 176.508 176.300 0.074 0.000 0.940 779 R CA -0.007 56.127 56.100 0.055 0.000 1.086 779 R CB -0.247 30.080 30.300 0.044 0.000 1.073 779 R HN 0.496 nan 8.270 nan 0.000 0.504 780 N N 0.393 119.136 118.700 0.072 0.000 2.457 780 N HA -0.035 4.702 4.740 -0.003 0.000 0.250 780 N C 0.380 175.960 175.510 0.117 0.000 0.982 780 N CA -0.184 52.921 53.050 0.092 0.000 0.941 780 N CB 0.467 38.991 38.487 0.062 0.000 1.120 780 N HN -0.044 nan 8.380 nan 0.000 0.505 781 F N 5.278 125.241 119.950 0.022 0.000 2.063 781 F HA -0.279 4.246 4.527 -0.003 0.000 0.298 781 F C 1.714 177.539 175.800 0.041 0.000 1.109 781 F CA 1.826 59.843 58.000 0.027 0.000 1.212 781 F CB -0.076 38.935 39.000 0.018 0.000 0.973 781 F HN 0.552 nan 8.300 nan 0.000 0.480 782 N N 0.284 119.000 118.700 0.026 0.000 2.084 782 N HA -0.156 4.582 4.740 -0.003 0.000 0.190 782 N C 2.064 177.545 175.510 -0.048 0.000 1.030 782 N CA 1.842 54.859 53.050 -0.056 0.000 0.849 782 N CB -0.764 37.746 38.487 0.038 0.000 1.012 782 N HN 0.264 nan 8.380 nan 0.000 0.423 783 V N 1.610 121.525 119.914 0.000 0.000 2.343 783 V HA -0.185 3.933 4.120 -0.003 0.000 0.247 783 V C 2.586 178.711 176.094 0.051 0.000 1.051 783 V CA 1.494 63.820 62.300 0.044 0.000 1.036 783 V CB -0.467 31.381 31.823 0.042 0.000 0.654 783 V HN 0.294 nan 8.190 nan 0.000 0.451 784 R N 0.009 120.496 120.500 -0.022 0.000 2.075 784 R HA -0.140 4.198 4.340 -0.003 0.000 0.232 784 R C 2.518 178.753 176.300 -0.108 0.000 1.126 784 R CA 1.790 57.861 56.100 -0.048 0.000 0.963 784 R CB -0.301 29.967 30.300 -0.053 0.000 0.858 784 R HN 0.499 nan 8.270 nan 0.000 0.435 785 S N 0.522 116.074 115.700 -0.247 0.000 2.370 785 S HA -0.182 4.286 4.470 -0.003 0.000 0.226 785 S C 1.444 175.997 174.600 -0.078 0.000 1.033 785 S CA 1.477 59.511 58.200 -0.278 0.000 1.011 785 S CB -0.449 62.430 63.200 -0.536 0.000 0.852 785 S HN 0.403 nan 8.310 nan 0.000 0.457 786 F N 2.554 122.431 119.950 -0.123 0.000 2.134 786 F HA -0.096 4.428 4.527 -0.004 0.000 0.299 786 F C 2.303 178.083 175.800 -0.033 0.000 1.097 786 F CA 0.985 58.954 58.000 -0.051 0.000 1.264 786 F CB -0.798 38.186 39.000 -0.026 0.000 1.001 786 F HN 0.170 nan 8.300 nan 0.000 0.479 787 A N 0.115 122.881 122.820 -0.089 0.000 1.933 787 A HA -0.183 4.135 4.320 -0.003 0.000 0.218 787 A C 2.111 179.581 177.584 -0.190 0.000 1.175 787 A CA 1.771 53.711 52.037 -0.161 0.000 0.628 787 A CB -0.818 18.171 19.000 -0.018 0.000 0.814 787 A HN 0.578 nan 8.150 nan 0.000 0.444 788 E N -0.414 119.697 120.200 -0.148 0.000 2.106 788 E HA -0.158 4.190 4.350 -0.003 0.000 0.192 788 E C 2.199 178.708 176.600 -0.151 0.000 0.984 788 E CA 0.922 57.242 56.400 -0.134 0.000 0.806 788 E CB -0.187 29.448 29.700 -0.109 0.000 0.750 788 E HN 0.530 nan 8.360 nan 0.000 0.458 789 R N -0.075 120.319 120.500 -0.177 0.000 2.148 789 R HA 0.028 4.366 4.340 -0.003 0.000 0.223 789 R C 2.090 178.264 176.300 -0.210 0.000 1.088 789 R CA 0.691 56.699 56.100 -0.154 0.000 0.985 789 R CB 0.010 30.242 30.300 -0.113 0.000 0.880 789 R HN 0.170 nan 8.270 nan 0.000 0.451 790 M N -0.223 119.174 119.600 -0.339 0.000 2.288 790 M HA 0.045 4.523 4.480 -0.003 0.000 0.266 790 M C 2.273 178.475 176.300 -0.162 0.000 1.072 790 M CA 0.928 56.049 55.300 -0.300 0.000 1.132 790 M CB -0.723 31.622 32.600 -0.425 0.000 1.386 790 M HN 0.099 nan 8.290 nan 0.000 0.432 791 A N 0.154 122.882 122.820 -0.153 0.000 1.930 791 A HA -0.127 4.191 4.320 -0.003 0.000 0.217 791 A C 2.231 179.755 177.584 -0.099 0.000 1.175 791 A CA 1.377 53.343 52.037 -0.118 0.000 0.627 791 A CB -0.455 18.464 19.000 -0.134 0.000 0.815 791 A HN 0.457 nan 8.150 nan 0.000 0.443 792 M N -0.854 118.684 119.600 -0.104 0.000 2.123 792 M HA -0.096 4.382 4.480 -0.003 0.000 0.263 792 M C 2.204 178.555 176.300 0.086 0.000 1.069 792 M CA 1.578 56.852 55.300 -0.044 0.000 1.133 792 M CB -0.419 32.163 32.600 -0.029 0.000 1.356 792 M HN 0.576 nan 8.290 nan 0.000 0.415 793 N N -0.387 118.315 118.700 0.002 0.000 2.250 793 N HA -0.092 4.646 4.740 -0.003 0.000 0.181 793 N C 1.365 176.864 175.510 -0.019 0.000 1.017 793 N CA 1.345 54.387 53.050 -0.013 0.000 0.866 793 N CB 0.185 38.641 38.487 -0.052 0.000 0.985 793 N HN 0.231 nan 8.380 nan 0.000 0.429 794 T N 1.561 116.101 114.554 -0.023 0.000 2.720 794 T HA -0.046 4.302 4.350 -0.003 0.000 0.268 794 T C -1.055 173.642 174.700 -0.005 0.000 1.037 794 T CA 1.045 63.133 62.100 -0.019 0.000 1.144 794 T CB -0.931 67.922 68.868 -0.025 0.000 0.864 794 T HN 0.371 nan 8.240 nan 0.000 0.444 795 P HA 0.067 nan 4.420 nan 0.000 0.220 795 P C 1.259 178.549 177.300 -0.018 0.000 1.148 795 P CA 0.780 63.901 63.100 0.035 0.000 0.803 795 P CB -0.108 31.669 31.700 0.128 0.000 0.782 796 I N -1.390 119.162 120.570 -0.029 0.000 2.188 796 I HA -0.220 3.948 4.170 -0.003 0.000 0.237 796 I C 2.449 178.499 176.117 -0.113 0.000 1.073 796 I CA 1.352 62.596 61.300 -0.093 0.000 1.359 796 I CB -0.649 37.290 38.000 -0.101 0.000 1.083 796 I HN -0.162 nan 8.210 nan 0.000 0.412 797 Q N 1.038 120.775 119.800 -0.106 0.000 2.084 797 Q HA -0.115 4.223 4.340 -0.003 0.000 0.202 797 Q C 2.131 178.090 176.000 -0.069 0.000 0.978 797 Q CA 1.987 57.726 55.803 -0.106 0.000 0.844 797 Q CB -0.704 27.982 28.738 -0.088 0.000 0.898 797 Q HN 0.551 nan 8.270 nan 0.000 0.426 798 G N -1.133 107.638 108.800 -0.048 0.000 2.418 798 G HA2 -0.224 3.734 3.960 -0.003 0.000 0.217 798 G HA3 -0.224 3.734 3.960 -0.003 0.000 0.217 798 G C 1.539 176.406 174.900 -0.055 0.000 1.158 798 G CA 0.960 46.040 45.100 -0.034 0.000 0.771 798 G HN 0.353 nan 8.290 nan 0.000 0.545 799 S N 0.965 116.619 115.700 -0.075 0.000 2.383 799 S HA 0.048 4.516 4.470 -0.003 0.000 0.227 799 S C 2.745 177.262 174.600 -0.138 0.000 1.026 799 S CA 1.035 59.173 58.200 -0.104 0.000 0.981 799 S CB -0.269 62.866 63.200 -0.109 0.000 0.818 799 S HN 0.569 nan 8.310 nan 0.000 0.472 800 A N 1.479 124.210 122.820 -0.148 0.000 1.969 800 A HA 0.155 4.473 4.320 -0.003 0.000 0.218 800 A C 2.308 179.814 177.584 -0.130 0.000 1.169 800 A CA 1.562 53.486 52.037 -0.188 0.000 0.635 800 A CB -0.899 17.993 19.000 -0.180 0.000 0.810 800 A HN 0.501 nan 8.150 nan 0.000 0.445 801 A N 0.156 122.936 122.820 -0.067 0.000 1.898 801 A HA -0.147 4.171 4.320 -0.003 0.000 0.216 801 A C 1.756 179.324 177.584 -0.027 0.000 1.181 801 A CA 1.765 53.795 52.037 -0.012 0.000 0.620 801 A CB -0.527 18.489 19.000 0.026 0.000 0.819 801 A HN 0.443 nan 8.150 nan 0.000 0.442 802 D N 0.261 120.629 120.400 -0.053 0.000 2.104 802 D HA -0.144 4.494 4.640 -0.003 0.000 0.194 802 D C 1.856 178.113 176.300 -0.073 0.000 0.994 802 D CA 1.320 55.285 54.000 -0.059 0.000 0.830 802 D CB -0.400 40.349 40.800 -0.084 0.000 0.959 802 D HN 0.532 nan 8.370 nan 0.000 0.452 803 I N 0.682 121.182 120.570 -0.117 0.000 2.179 803 I HA -0.220 3.948 4.170 -0.003 0.000 0.242 803 I C 2.562 178.643 176.117 -0.060 0.000 1.088 803 I CA 0.738 61.956 61.300 -0.136 0.000 1.357 803 I CB -0.131 37.708 38.000 -0.269 0.000 1.051 803 I HN -0.046 nan 8.210 nan 0.000 0.409 804 I N 0.687 121.233 120.570 -0.040 0.000 2.493 804 I HA -0.272 3.896 4.170 -0.003 0.000 0.254 804 I C 2.409 178.559 176.117 0.054 0.000 1.160 804 I CA 1.467 62.829 61.300 0.104 0.000 1.445 804 I CB -0.099 37.996 38.000 0.158 0.000 1.086 804 I HN 0.145 nan 8.210 nan 0.000 0.433 805 K N 0.512 120.918 120.400 0.011 0.000 2.057 805 K HA -0.229 4.089 4.320 -0.003 0.000 0.206 805 K C 2.162 178.758 176.600 -0.007 0.000 1.050 805 K CA 1.360 57.644 56.287 -0.004 0.000 0.935 805 K CB -0.127 32.370 32.500 -0.006 0.000 0.715 805 K HN 0.230 nan 8.250 nan 0.000 0.439 806 K N 0.865 121.259 120.400 -0.010 0.000 2.097 806 K HA -0.098 4.220 4.320 -0.003 0.000 0.205 806 K C 2.061 178.661 176.600 0.001 0.000 1.050 806 K CA 1.088 57.367 56.287 -0.014 0.000 0.938 806 K CB -0.046 32.437 32.500 -0.028 0.000 0.718 806 K HN 0.110 nan 8.250 nan 0.000 0.442 807 A N 1.158 123.996 122.820 0.030 0.000 1.902 807 A HA -0.180 4.138 4.320 -0.003 0.000 0.217 807 A C 2.097 179.689 177.584 0.014 0.000 1.181 807 A CA 1.700 53.765 52.037 0.047 0.000 0.623 807 A CB -0.459 18.621 19.000 0.133 0.000 0.818 807 A HN 0.341 nan 8.150 nan 0.000 0.443 808 M N -0.792 118.813 119.600 0.008 0.000 2.117 808 M HA -0.098 4.380 4.480 -0.003 0.000 0.262 808 M C 2.065 178.352 176.300 -0.021 0.000 1.065 808 M CA 1.551 56.842 55.300 -0.015 0.000 1.114 808 M CB -0.499 32.082 32.600 -0.031 0.000 1.361 808 M HN 0.403 nan 8.290 nan 0.000 0.408 809 I N 0.084 120.642 120.570 -0.020 0.000 2.202 809 I HA -0.292 3.876 4.170 -0.003 0.000 0.242 809 I C 1.850 177.953 176.117 -0.023 0.000 1.091 809 I CA 1.146 62.432 61.300 -0.022 0.000 1.368 809 I CB -0.585 37.403 38.000 -0.021 0.000 1.058 809 I HN 0.237 nan 8.210 nan 0.000 0.410 810 D N 0.721 121.109 120.400 -0.021 0.000 2.117 810 D HA -0.176 4.462 4.640 -0.003 0.000 0.197 810 D C 2.000 178.279 176.300 -0.034 0.000 0.987 810 D CA 1.119 55.103 54.000 -0.025 0.000 0.829 810 D CB -0.332 40.455 40.800 -0.021 0.000 0.961 810 D HN 0.172 nan 8.370 nan 0.000 0.460 811 L N 1.077 122.279 121.223 -0.035 0.000 2.017 811 L HA -0.121 4.217 4.340 -0.003 0.000 0.208 811 L C 1.559 178.399 176.870 -0.050 0.000 1.073 811 L CA 1.701 56.511 54.840 -0.050 0.000 0.745 811 L CB -0.724 41.305 42.059 -0.050 0.000 0.894 811 L HN -0.141 nan 8.230 nan 0.000 0.432 812 N N -0.112 118.567 118.700 -0.035 0.000 2.223 812 N HA -0.103 4.635 4.740 -0.003 0.000 0.185 812 N C 1.793 177.284 175.510 -0.032 0.000 1.016 812 N CA 1.400 54.434 53.050 -0.028 0.000 0.863 812 N CB -0.370 38.106 38.487 -0.018 0.000 0.983 812 N HN 0.548 nan 8.380 nan 0.000 0.429 813 A N 0.784 123.584 122.820 -0.033 0.000 1.898 813 A HA -0.070 4.248 4.320 -0.003 0.000 0.216 813 A C 2.155 179.715 177.584 -0.041 0.000 1.181 813 A CA 1.020 53.037 52.037 -0.034 0.000 0.620 813 A CB -0.187 18.794 19.000 -0.031 0.000 0.819 813 A HN 0.079 nan 8.150 nan 0.000 0.442 814 R N -0.231 120.240 120.500 -0.050 0.000 2.075 814 R HA -0.002 4.336 4.340 -0.003 0.000 0.232 814 R C 2.067 178.325 176.300 -0.071 0.000 1.126 814 R CA 1.145 57.208 56.100 -0.061 0.000 0.963 814 R CB -1.099 29.157 30.300 -0.072 0.000 0.858 814 R HN 0.594 nan 8.270 nan 0.000 0.435 815 L N 0.676 121.854 121.223 -0.074 0.000 2.083 815 L HA -0.167 4.171 4.340 -0.003 0.000 0.209 815 L C 2.650 179.483 176.870 -0.061 0.000 1.083 815 L CA 1.410 56.201 54.840 -0.082 0.000 0.752 815 L CB -0.395 41.619 42.059 -0.075 0.000 0.899 815 L HN 0.175 nan 8.230 nan 0.000 0.433 816 K N 0.420 120.793 120.400 -0.044 0.000 2.062 816 K HA -0.164 4.154 4.320 -0.003 0.000 0.205 816 K C 1.929 178.506 176.600 -0.038 0.000 1.051 816 K CA 1.225 57.492 56.287 -0.034 0.000 0.941 816 K CB 0.083 32.568 32.500 -0.026 0.000 0.719 816 K HN 0.318 nan 8.250 nan 0.000 0.440 817 E N 0.331 120.505 120.200 -0.043 0.000 2.110 817 E HA -0.167 4.181 4.350 -0.003 0.000 0.193 817 E C 1.499 178.070 176.600 -0.048 0.000 0.988 817 E CA 0.908 57.283 56.400 -0.042 0.000 0.804 817 E CB 0.091 29.765 29.700 -0.043 0.000 0.745 817 E HN 0.291 nan 8.360 nan 0.000 0.458 818 E N 0.435 120.599 120.200 -0.060 0.000 2.502 818 E HA 0.010 4.358 4.350 -0.003 0.000 0.194 818 E C -0.040 176.519 176.600 -0.069 0.000 1.062 818 E CA 0.042 56.400 56.400 -0.070 0.000 0.867 818 E CB 0.156 29.801 29.700 -0.091 0.000 0.888 818 E HN 0.052 nan 8.360 nan 0.000 0.510 819 R N -0.021 120.444 120.500 -0.058 0.000 3.416 819 R HA -0.175 4.163 4.340 -0.003 0.000 0.263 819 R C -0.419 175.841 176.300 -0.067 0.000 1.053 819 R CA 0.270 56.340 56.100 -0.050 0.000 0.705 819 R CB -2.469 27.807 30.300 -0.040 0.000 1.124 819 R HN 0.151 nan 8.270 nan 0.000 0.444 820 L N 0.034 121.204 121.223 -0.089 0.000 2.375 820 L HA 0.139 4.477 4.340 -0.003 0.000 0.271 820 L C 1.724 178.528 176.870 -0.110 0.000 1.107 820 L CA -0.244 54.518 54.840 -0.131 0.000 0.806 820 L CB 0.955 42.909 42.059 -0.175 0.000 1.146 820 L HN 0.277 nan 8.230 nan 0.000 0.447 821 Q N 1.643 121.349 119.800 -0.157 0.000 2.424 821 Q HA 0.140 4.478 4.340 -0.003 0.000 0.204 821 Q C 0.577 176.470 176.000 -0.177 0.000 0.933 821 Q CA -0.045 55.703 55.803 -0.093 0.000 0.929 821 Q CB 0.284 28.965 28.738 -0.096 0.000 1.037 821 Q HN 0.768 nan 8.270 nan 0.000 0.511 822 A N 2.492 125.115 122.820 -0.327 0.000 2.561 822 A HA 0.054 4.372 4.320 -0.003 0.000 0.234 822 A C -0.118 177.374 177.584 -0.153 0.000 1.055 822 A CA 0.300 52.113 52.037 -0.374 0.000 0.756 822 A CB -0.133 18.650 19.000 -0.362 0.000 0.986 822 A HN 0.425 nan 8.150 nan 0.000 0.505 823 H N -0.020 119.046 119.070 -0.006 0.000 3.012 823 H HA 0.528 5.082 4.556 -0.003 0.000 0.367 823 H C -1.442 173.902 175.328 0.025 0.000 1.211 823 H CA -1.175 54.887 56.048 0.023 0.000 1.139 823 H CB 0.676 30.483 29.762 0.076 0.000 1.838 823 H HN 0.494 nan 8.280 nan 0.000 0.550 824 L N 2.024 123.367 121.223 0.200 0.000 2.426 824 L HA 0.040 4.378 4.340 -0.003 0.000 0.271 824 L C 0.930 177.900 176.870 0.166 0.000 1.169 824 L CA -0.139 54.774 54.840 0.121 0.000 0.836 824 L CB 0.651 42.740 42.059 0.051 0.000 1.112 824 L HN 0.578 nan 8.230 nan 0.000 0.465 825 L N 3.466 124.754 121.223 0.109 0.000 2.586 825 L HA 0.343 4.681 4.340 -0.003 0.000 0.204 825 L C -0.065 176.862 176.870 0.096 0.000 1.053 825 L CA 0.218 55.116 54.840 0.096 0.000 0.856 825 L CB 0.417 42.495 42.059 0.032 0.000 1.192 825 L HN 0.417 nan 8.230 nan 0.000 0.484 826 L N -0.705 120.532 121.223 0.023 0.000 2.415 826 L HA 0.473 4.811 4.340 -0.003 0.000 0.256 826 L C -1.121 175.738 176.870 -0.019 0.000 1.010 826 L CA -0.518 54.370 54.840 0.080 0.000 0.826 826 L CB 2.354 44.392 42.059 -0.036 0.000 1.405 826 L HN -0.092 nan 8.230 nan 0.000 0.410 827 Q N 1.373 121.145 119.800 -0.046 0.000 2.304 827 Q HA 0.467 4.805 4.340 -0.003 0.000 0.270 827 Q C -1.821 174.146 176.000 -0.054 0.000 1.035 827 Q CA -0.410 55.335 55.803 -0.097 0.000 0.781 827 Q CB 2.654 31.252 28.738 -0.232 0.000 1.261 827 Q HN 0.519 nan 8.270 nan 0.000 0.444 828 V N 6.486 126.380 119.914 -0.034 0.000 2.446 828 V HA 0.217 4.335 4.120 -0.003 0.000 0.257 828 V C 0.261 176.294 176.094 -0.101 0.000 1.036 828 V CA -0.279 61.946 62.300 -0.126 0.000 1.196 828 V CB -0.327 31.543 31.823 0.079 0.000 1.446 828 V HN 0.918 nan 8.190 nan 0.000 0.558 829 H N 1.819 120.968 119.070 0.132 0.000 4.988 829 H HA -0.220 4.334 4.556 -0.004 0.000 0.062 829 H C 1.311 176.712 175.328 0.121 0.000 0.573 829 H CA 2.267 58.387 56.048 0.120 0.000 0.989 829 H CB -0.941 28.904 29.762 0.139 0.000 0.461 829 H HN 0.818 nan 8.280 nan 0.000 0.781 830 D N 1.737 122.300 120.400 0.272 0.000 2.540 830 D HA 0.169 4.807 4.640 -0.003 0.000 0.229 830 D C 0.417 176.877 176.300 0.267 0.000 1.250 830 D CA 0.552 54.721 54.000 0.281 0.000 0.817 830 D CB 0.471 41.414 40.800 0.238 0.000 1.060 830 D HN 0.747 nan 8.370 nan 0.000 0.508 831 E N 0.246 120.553 120.200 0.178 0.000 2.367 831 E HA 0.571 4.919 4.350 -0.003 0.000 0.273 831 E C -1.318 175.328 176.600 0.076 0.000 0.903 831 E CA -1.055 55.414 56.400 0.116 0.000 0.764 831 E CB 2.013 31.796 29.700 0.138 0.000 1.252 831 E HN -0.035 nan 8.360 nan 0.000 0.446 832 L N 2.724 123.976 121.223 0.049 0.000 2.341 832 L HA 0.520 4.858 4.340 -0.003 0.000 0.278 832 L C -0.718 176.182 176.870 0.050 0.000 1.005 832 L CA -1.278 53.581 54.840 0.033 0.000 0.818 832 L CB 1.547 43.619 42.059 0.021 0.000 1.259 832 L HN 0.566 nan 8.230 nan 0.000 0.418 833 I N 4.326 124.895 120.570 -0.001 0.000 2.378 833 I HA 0.514 4.681 4.170 -0.003 0.000 0.291 833 I C -0.265 175.848 176.117 -0.007 0.000 0.992 833 I CA -0.402 60.869 61.300 -0.049 0.000 1.154 833 I CB 1.641 39.461 38.000 -0.301 0.000 1.315 833 I HN 0.396 nan 8.210 nan 0.000 0.448 834 L N 5.544 126.808 121.223 0.068 0.000 2.283 834 L HA 0.608 4.946 4.340 -0.003 0.000 0.259 834 L C -0.087 176.822 176.870 0.065 0.000 1.027 834 L CA -0.567 54.309 54.840 0.061 0.000 0.828 834 L CB 1.703 43.777 42.059 0.025 0.000 1.380 834 L HN 0.651 nan 8.230 nan 0.000 0.425 835 E N 0.271 120.478 120.200 0.012 0.000 2.340 835 E HA 0.937 5.285 4.350 -0.003 0.000 0.273 835 E C -1.496 175.019 176.600 -0.143 0.000 0.891 835 E CA -1.126 55.310 56.400 0.060 0.000 0.757 835 E CB 2.638 32.461 29.700 0.205 0.000 1.231 835 E HN 0.729 nan 8.360 nan 0.000 0.439 836 A N 2.030 124.702 122.820 -0.246 0.000 2.566 836 A HA 0.602 4.920 4.320 -0.003 0.000 0.290 836 A C -2.980 173.913 177.584 -1.153 0.000 1.071 836 A CA -1.422 50.057 52.037 -0.930 0.000 0.658 836 A CB 1.133 19.752 19.000 -0.635 0.000 1.285 836 A HN 0.495 nan 8.150 nan 0.000 0.427 837 P HA 0.091 nan 4.420 nan 0.000 0.267 837 P C 0.501 177.502 177.300 -0.499 0.000 1.200 837 P CA 0.103 62.536 63.100 -1.113 0.000 0.772 837 P CB 0.545 31.779 31.700 -0.778 0.000 0.855 838 K N 2.156 122.408 120.400 -0.246 0.000 2.211 838 K HA -0.206 4.112 4.320 -0.003 0.000 0.204 838 K C 0.722 177.214 176.600 -0.179 0.000 1.047 838 K CA 1.762 57.961 56.287 -0.147 0.000 0.935 838 K CB -0.417 32.067 32.500 -0.027 0.000 0.728 838 K HN 0.289 nan 8.250 nan 0.000 0.452 839 E N 1.164 121.253 120.200 -0.184 0.000 2.516 839 E HA -0.064 4.284 4.350 -0.003 0.000 0.199 839 E C 0.855 177.333 176.600 -0.205 0.000 1.069 839 E CA 0.733 57.037 56.400 -0.160 0.000 0.876 839 E CB 0.212 29.837 29.700 -0.126 0.000 0.843 839 E HN 0.495 nan 8.360 nan 0.000 0.530 840 E N -0.566 119.464 120.200 -0.283 0.000 2.489 840 E HA 0.075 4.423 4.350 -0.003 0.000 0.204 840 E C 1.269 177.666 176.600 -0.339 0.000 1.006 840 E CA -0.163 56.053 56.400 -0.307 0.000 0.936 840 E CB 0.229 29.703 29.700 -0.375 0.000 1.002 840 E HN 0.197 nan 8.360 nan 0.000 0.488 841 M N 0.891 120.277 119.600 -0.356 0.000 2.082 841 M HA -0.193 4.284 4.480 -0.003 0.000 0.258 841 M C 1.844 177.957 176.300 -0.313 0.000 1.069 841 M CA 1.706 56.742 55.300 -0.440 0.000 1.102 841 M CB -0.894 31.273 32.600 -0.723 0.000 1.336 841 M HN 0.141 nan 8.290 nan 0.000 0.404 842 E N -0.321 119.751 120.200 -0.213 0.000 2.085 842 E HA -0.203 4.145 4.350 -0.003 0.000 0.194 842 E C 2.191 178.706 176.600 -0.143 0.000 0.994 842 E CA 1.128 57.459 56.400 -0.115 0.000 0.801 842 E CB -0.199 29.459 29.700 -0.071 0.000 0.743 842 E HN 0.524 nan 8.360 nan 0.000 0.453 843 R N 0.413 120.800 120.500 -0.188 0.000 2.092 843 R HA -0.050 4.288 4.340 -0.003 0.000 0.231 843 R C 2.484 178.619 176.300 -0.275 0.000 1.119 843 R CA 0.787 56.768 56.100 -0.199 0.000 0.970 843 R CB -0.210 29.973 30.300 -0.195 0.000 0.864 843 R HN 0.167 nan 8.270 nan 0.000 0.440 844 L N -0.260 120.727 121.223 -0.393 0.000 2.141 844 L HA -0.191 4.147 4.340 -0.003 0.000 0.209 844 L C 2.355 178.890 176.870 -0.559 0.000 1.094 844 L CA 0.686 55.149 54.840 -0.629 0.000 0.763 844 L CB -0.385 41.033 42.059 -1.069 0.000 0.908 844 L HN 0.332 nan 8.230 nan 0.000 0.437 845 C N -0.201 118.931 119.300 -0.281 0.000 2.419 845 C HA -0.123 4.335 4.460 -0.003 0.000 0.281 845 C C 2.871 177.629 174.990 -0.386 0.000 1.336 845 C CA 0.846 59.729 59.018 -0.224 0.000 1.770 845 C CB -0.977 26.796 27.740 0.055 0.000 1.929 845 C HN 0.454 nan 8.230 nan 0.000 0.509 846 R N -0.582 119.770 120.500 -0.247 0.000 2.123 846 R HA 0.155 4.493 4.340 -0.003 0.000 0.209 846 R C 2.183 178.366 176.300 -0.196 0.000 1.078 846 R CA 0.338 56.325 56.100 -0.189 0.000 1.028 846 R CB -0.349 29.880 30.300 -0.118 0.000 0.939 846 R HN 0.440 nan 8.270 nan 0.000 0.463 847 L N 0.912 122.002 121.223 -0.223 0.000 2.005 847 L HA -0.136 4.202 4.340 -0.003 0.000 0.207 847 L C 2.024 178.774 176.870 -0.200 0.000 1.072 847 L CA 1.270 55.989 54.840 -0.200 0.000 0.744 847 L CB -0.152 41.776 42.059 -0.219 0.000 0.895 847 L HN -0.033 nan 8.230 nan 0.000 0.433 848 V N 0.605 120.362 119.914 -0.261 0.000 2.255 848 V HA -0.184 3.934 4.120 -0.003 0.000 0.247 848 V C -0.159 175.858 176.094 -0.129 0.000 1.051 848 V CA 2.185 64.373 62.300 -0.187 0.000 1.018 848 V CB -1.967 29.754 31.823 -0.171 0.000 0.641 848 V HN 0.391 nan 8.190 nan 0.000 0.445 849 P HA -0.173 nan 4.420 nan 0.000 0.215 849 P C 1.705 178.956 177.300 -0.081 0.000 1.153 849 P CA 1.564 64.599 63.100 -0.109 0.000 0.853 849 P CB 0.039 31.665 31.700 -0.124 0.000 0.788 850 E N -0.187 119.960 120.200 -0.088 0.000 2.038 850 E HA -0.161 4.187 4.350 -0.003 0.000 0.195 850 E C 1.830 178.402 176.600 -0.046 0.000 1.000 850 E CA 1.412 57.778 56.400 -0.057 0.000 0.803 850 E CB -0.433 29.227 29.700 -0.066 0.000 0.750 850 E HN -0.072 nan 8.360 nan 0.000 0.448 851 V N 1.102 120.978 119.914 -0.062 0.000 2.332 851 V HA -0.299 3.818 4.120 -0.003 0.000 0.248 851 V C 2.480 178.564 176.094 -0.016 0.000 1.055 851 V CA 2.052 64.325 62.300 -0.045 0.000 1.038 851 V CB -0.438 31.349 31.823 -0.061 0.000 0.651 851 V HN 0.382 nan 8.190 nan 0.000 0.450 852 M N -0.706 118.872 119.600 -0.037 0.000 2.175 852 M HA -0.169 4.309 4.480 -0.003 0.000 0.264 852 M C 2.150 178.526 176.300 0.127 0.000 1.063 852 M CA 1.762 57.059 55.300 -0.006 0.000 1.119 852 M CB -0.445 31.994 32.600 -0.269 0.000 1.377 852 M HN 0.359 nan 8.290 nan 0.000 0.415 853 E N -0.190 120.046 120.200 0.059 0.000 2.208 853 E HA -0.137 4.211 4.350 -0.003 0.000 0.193 853 E C 1.579 178.215 176.600 0.059 0.000 0.988 853 E CA 0.632 57.091 56.400 0.098 0.000 0.828 853 E CB 0.104 29.832 29.700 0.047 0.000 0.763 853 E HN 0.456 nan 8.360 nan 0.000 0.478 854 Q N -0.570 119.247 119.800 0.030 0.000 2.247 854 Q HA 0.219 4.557 4.340 -0.003 0.000 0.204 854 Q C 1.632 177.632 176.000 -0.001 0.000 0.872 854 Q CA 0.208 56.014 55.803 0.005 0.000 0.951 854 Q CB 0.822 29.555 28.738 -0.008 0.000 1.099 854 Q HN 0.190 nan 8.270 nan 0.000 0.501 855 A N 1.051 123.883 122.820 0.020 0.000 1.917 855 A HA -0.053 4.265 4.320 -0.003 0.000 0.219 855 A C 1.331 178.895 177.584 -0.033 0.000 1.182 855 A CA 1.859 53.899 52.037 0.005 0.000 0.633 855 A CB -0.170 18.854 19.000 0.040 0.000 0.819 855 A HN 0.241 nan 8.150 nan 0.000 0.448 856 V N -5.476 114.405 119.914 -0.055 0.000 3.160 856 V HA 0.738 4.856 4.120 -0.003 0.000 0.310 856 V C -0.667 175.371 176.094 -0.093 0.000 1.181 856 V CA -0.539 61.706 62.300 -0.091 0.000 1.047 856 V CB 1.690 33.427 31.823 -0.145 0.000 1.068 856 V HN 0.014 nan 8.190 nan 0.000 0.441 857 T N 3.572 118.066 114.554 -0.100 0.000 2.791 857 T HA 0.724 5.072 4.350 -0.003 0.000 0.288 857 T C -0.347 174.273 174.700 -0.132 0.000 0.999 857 T CA -0.209 61.841 62.100 -0.083 0.000 0.952 857 T CB 0.686 69.531 68.868 -0.039 0.000 0.938 857 T HN 0.643 nan 8.240 nan 0.000 0.444 858 L N 2.115 123.242 121.223 -0.160 0.000 2.299 858 L HA 0.574 4.912 4.340 -0.003 0.000 0.268 858 L C 1.649 178.556 176.870 0.062 0.000 1.012 858 L CA -1.217 53.484 54.840 -0.232 0.000 0.816 858 L CB 1.168 42.992 42.059 -0.391 0.000 1.355 858 L HN 0.498 nan 8.230 nan 0.000 0.457 859 R N -0.143 120.557 120.500 0.332 0.000 2.316 859 R HA 0.034 4.372 4.340 -0.003 0.000 0.202 859 R C -0.213 176.149 176.300 0.104 0.000 1.029 859 R CA 0.350 56.561 56.100 0.186 0.000 1.018 859 R CB -0.102 30.285 30.300 0.145 0.000 0.888 859 R HN 0.497 nan 8.270 nan 0.000 0.471 860 V N -2.308 117.650 119.914 0.073 0.000 2.962 860 V HA 0.566 4.684 4.120 -0.003 0.000 0.313 860 V C -2.623 173.467 176.094 -0.007 0.000 1.099 860 V CA -2.944 59.384 62.300 0.046 0.000 0.971 860 V CB 2.329 34.183 31.823 0.052 0.000 1.028 860 V HN -0.157 nan 8.190 nan 0.000 0.430 861 P HA 0.392 nan 4.420 nan 0.000 0.274 861 P C -0.899 176.378 177.300 -0.039 0.000 1.246 861 P CA -0.332 62.766 63.100 -0.003 0.000 0.795 861 P CB 1.135 32.851 31.700 0.027 0.000 1.006 862 L N 0.983 122.196 121.223 -0.017 0.000 2.325 862 L HA 0.498 4.836 4.340 -0.003 0.000 0.278 862 L C 0.680 177.589 176.870 0.066 0.000 1.023 862 L CA -0.651 54.194 54.840 0.007 0.000 0.811 862 L CB 1.430 43.524 42.059 0.058 0.000 1.249 862 L HN 0.377 nan 8.230 nan 0.000 0.431 863 K N 1.898 122.354 120.400 0.093 0.000 2.378 863 K HA 0.680 4.998 4.320 -0.003 0.000 0.252 863 K C -1.717 174.939 176.600 0.094 0.000 0.931 863 K CA -0.566 55.772 56.287 0.085 0.000 0.794 863 K CB 2.216 34.757 32.500 0.070 0.000 1.181 863 K HN 0.309 nan 8.250 nan 0.000 0.425 864 V N 3.609 123.551 119.914 0.046 0.000 2.487 864 V HA 0.311 4.429 4.120 -0.003 0.000 0.298 864 V C -0.830 175.299 176.094 0.059 0.000 1.028 864 V CA -0.927 61.364 62.300 -0.016 0.000 0.860 864 V CB 1.830 33.577 31.823 -0.127 0.000 0.991 864 V HN 0.827 nan 8.190 nan 0.000 0.427 865 D N 3.091 123.494 120.400 0.004 0.000 2.268 865 D HA 0.654 5.292 4.640 -0.003 0.000 0.249 865 D C -0.943 175.273 176.300 -0.139 0.000 1.008 865 D CA 0.149 54.078 54.000 -0.118 0.000 0.939 865 D CB 2.198 42.928 40.800 -0.117 0.000 1.170 865 D HN 0.596 nan 8.370 nan 0.000 0.468 866 Y N -2.157 117.844 120.300 -0.499 0.000 2.581 866 Y HA 0.611 5.158 4.550 -0.003 0.000 0.337 866 Y C -0.940 174.359 175.900 -1.002 0.000 1.108 866 Y CA -0.957 56.775 58.100 -0.614 0.000 1.033 866 Y CB 1.594 39.805 38.460 -0.415 0.000 1.318 866 Y HN 0.291 nan 8.280 nan 0.000 0.459 867 H N 0.720 119.605 119.070 -0.308 0.000 3.017 867 H HA 0.479 5.033 4.556 -0.003 0.000 0.346 867 H C -1.788 173.409 175.328 -0.218 0.000 1.286 867 H CA -0.954 54.939 56.048 -0.260 0.000 1.120 867 H CB 2.723 32.354 29.762 -0.219 0.000 1.860 867 H HN 0.889 nan 8.280 nan 0.000 0.542 868 Y N -1.448 118.849 120.300 -0.004 0.000 2.609 868 Y HA 0.724 5.272 4.550 -0.003 0.000 0.336 868 Y C -0.461 175.499 175.900 0.100 0.000 1.129 868 Y CA -0.734 57.395 58.100 0.048 0.000 1.040 868 Y CB 1.689 40.240 38.460 0.153 0.000 1.310 868 Y HN 0.956 nan 8.280 nan 0.000 0.460 869 G N -0.097 108.890 108.800 0.312 0.000 2.488 869 G HA2 0.376 4.334 3.960 -0.003 0.000 0.301 869 G HA3 0.376 4.334 3.960 -0.003 0.000 0.301 869 G C -0.289 174.756 174.900 0.242 0.000 1.339 869 G CA -0.489 44.741 45.100 0.215 0.000 0.803 869 G HN 1.222 nan 8.290 nan 0.000 0.482 870 S N -1.624 114.194 115.700 0.196 0.000 2.481 870 S HA 0.236 4.704 4.470 -0.003 0.000 0.231 870 S C 1.155 175.871 174.600 0.194 0.000 0.996 870 S CA 1.716 60.025 58.200 0.182 0.000 0.942 870 S CB -0.410 62.874 63.200 0.140 0.000 0.768 870 S HN 1.802 nan 8.310 nan 0.000 0.520 871 T N -4.694 109.998 114.554 0.231 0.000 2.841 871 T HA 0.398 4.746 4.350 -0.003 0.000 0.296 871 T C -0.151 174.777 174.700 0.380 0.000 1.166 871 T CA -0.701 61.569 62.100 0.284 0.000 1.007 871 T CB 0.508 69.531 68.868 0.259 0.000 1.253 871 T HN 0.152 nan 8.240 nan 0.000 0.511 872 W N 0.519 121.944 121.300 0.209 0.000 2.374 872 W HA -0.073 4.584 4.660 -0.003 0.000 0.288 872 W C 1.853 178.455 176.519 0.139 0.000 1.218 872 W CA 0.893 58.333 57.345 0.158 0.000 1.245 872 W CB -1.085 28.461 29.460 0.143 0.000 1.126 872 W HN 0.898 nan 8.180 nan 0.000 0.545 873 Y N 1.555 121.962 120.300 0.178 0.000 2.181 873 Y HA -0.241 4.307 4.550 -0.004 0.000 0.288 873 Y C 2.084 177.988 175.900 0.007 0.000 1.146 873 Y CA 2.594 60.693 58.100 -0.001 0.000 1.164 873 Y CB -0.602 37.862 38.460 0.007 0.000 0.982 873 Y HN -0.157 nan 8.280 nan 0.000 0.515 874 D N 0.336 120.894 120.400 0.264 0.000 2.317 874 D HA 0.012 4.650 4.640 -0.003 0.000 0.211 874 D C 0.920 177.233 176.300 0.022 0.000 0.966 874 D CA 0.955 55.031 54.000 0.126 0.000 0.876 874 D CB -0.226 40.684 40.800 0.184 0.000 0.927 874 D HN 0.357 nan 8.370 nan 0.000 0.519 875 A N 1.820 124.700 122.820 0.099 0.000 3.051 875 A HA 0.135 4.453 4.320 -0.003 0.000 0.257 875 A C 0.608 178.174 177.584 -0.030 0.000 1.785 875 A CA -0.062 52.034 52.037 0.099 0.000 1.420 875 A CB -0.780 18.359 19.000 0.231 0.000 1.063 875 A HN 0.193 nan 8.150 nan 0.000 0.630 876 K N 0.000 120.258 120.400 -0.236 0.000 2.780 876 K HA 0.000 4.318 4.320 -0.003 0.000 0.191 876 K CA 0.000 55.931 56.287 -0.594 0.000 0.838 876 K CB 0.000 32.217 32.500 -0.472 0.000 1.064 876 K HN 0.000 nan 8.250 nan 0.000 0.543