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 2hhx_1_A DATA FIRST_RESID 298 DATA SEQUENCE KMAFTLADRV TEEMLADKAA LVVEVVEENY HDAPIVGIAV VNEHGRFFLR DATA SEQUENCE PETALADPQF VAWLGDETKK KSMFDSKRAA VALKWKGIEL CGVSFDLLLA DATA SEQUENCE AYLLDPAQGV DDVAAAAKMK QYEAVRPDEA VYGKGAKRAV PDEPVLAEHL DATA SEQUENCE VRKAAAIWEL ERPFLDELRR NEQDRLLVEL EQPLSSILAE MEFAGVKVDT DATA SEQUENCE KRLEQMGKEL AEQLGTVEQR IYELAGQEFN INSPKQLGVI LFEKLQLPVL DATA SEQUENCE XXXXXGYSTS ADVLEKLAPY HEIVENILHY RQLGKLQSTY IEGLLKVVRP DATA SEQUENCE DTKKVHTIFN QALTQTGRLS STEPNLQNIP IRLEEGRKIR QAFVPSESDW DATA SEQUENCE LIFAADYSQI ELRVLAHIAE DDNLMEAFRR DLDIHTKTAM DIFQVSEDEV DATA SEQUENCE TPNMRRQAKA VNFGIVYGIS DYGLAQNLNI SRKEAAEFIE RYFESFPGVK DATA SEQUENCE RYMENIVQEA KQKGYVTTLL HRRRYLPDIT SRNFNVRSFA ERMAMNTPIQ DATA SEQUENCE GSAADIIKKA MIDLNARLKE ERLQAHLLLQ VHDELILEAP KEEMERLCRL DATA SEQUENCE VPEVMEQAVT LRVPLKVDYH YGSTWYDAK 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 298 K HA 0.000 nan 4.320 nan 0.000 0.191 298 K C 0.000 176.627 176.600 0.045 0.000 0.988 298 K CA 0.000 56.305 56.287 0.031 0.000 0.838 298 K CB 0.000 32.513 32.500 0.022 0.000 1.064 299 M N 1.870 121.530 119.600 0.100 0.000 2.238 299 M HA 0.694 5.171 4.480 -0.004 0.000 0.350 299 M C 0.309 176.715 176.300 0.177 0.000 1.138 299 M CA -0.680 54.693 55.300 0.122 0.000 1.040 299 M CB 1.510 34.188 32.600 0.131 0.000 1.639 299 M HN 1.130 nan 8.290 nan 0.000 0.451 300 A N 5.258 128.125 122.820 0.079 0.000 2.450 300 A HA 0.590 4.907 4.320 -0.004 0.000 0.255 300 A C -0.941 176.697 177.584 0.090 0.000 1.096 300 A CA -0.127 51.906 52.037 -0.006 0.000 0.778 300 A CB -0.346 18.624 19.000 -0.050 0.000 1.031 300 A HN 0.866 nan 8.150 nan 0.000 0.494 301 F N -0.981 118.909 119.950 -0.101 0.000 2.703 301 F HA 0.586 5.109 4.527 -0.006 0.000 0.308 301 F C -0.540 175.197 175.800 -0.106 0.000 1.126 301 F CA -0.824 57.094 58.000 -0.137 0.000 0.959 301 F CB 0.817 39.766 39.000 -0.084 0.000 1.297 301 F HN 0.276 nan 8.300 nan 0.000 0.441 302 T N 3.453 118.025 114.554 0.030 0.000 2.743 302 T HA 0.369 4.717 4.350 -0.004 0.000 0.293 302 T C -0.343 174.537 174.700 0.300 0.000 0.945 302 T CA -0.250 61.880 62.100 0.050 0.000 1.030 302 T CB 0.922 69.825 68.868 0.059 0.000 0.912 302 T HN 0.744 nan 8.240 nan 0.000 0.483 303 L N 4.115 125.467 121.223 0.213 0.000 2.358 303 L HA 0.510 4.848 4.340 -0.004 0.000 0.274 303 L C 0.696 177.713 176.870 0.244 0.000 1.136 303 L CA -0.579 54.478 54.840 0.363 0.000 0.970 303 L CB -0.384 41.828 42.059 0.255 0.000 1.314 303 L HN 0.738 nan 8.230 nan 0.000 0.427 304 A N 2.492 125.458 122.820 0.243 0.000 2.445 304 A HA 0.106 4.424 4.320 -0.004 0.000 0.242 304 A C 0.472 178.096 177.584 0.067 0.000 1.075 304 A CA -0.155 51.959 52.037 0.127 0.000 0.777 304 A CB 0.246 19.297 19.000 0.087 0.000 1.013 304 A HN 0.730 nan 8.150 nan 0.000 0.493 305 D N -0.131 120.287 120.400 0.030 0.000 2.392 305 D HA 0.125 4.762 4.640 -0.004 0.000 0.206 305 D C 0.566 176.848 176.300 -0.031 0.000 1.046 305 D CA 0.705 54.710 54.000 0.008 0.000 0.865 305 D CB 0.279 41.087 40.800 0.014 0.000 0.969 305 D HN 0.752 nan 8.370 nan 0.000 0.509 306 R N -1.109 119.363 120.500 -0.047 0.000 2.739 306 R HA 0.594 4.932 4.340 -0.004 0.000 0.271 306 R C -1.120 175.111 176.300 -0.114 0.000 1.010 306 R CA -0.853 55.202 56.100 -0.075 0.000 0.897 306 R CB 1.292 31.562 30.300 -0.051 0.000 1.236 306 R HN -0.311 nan 8.270 nan 0.000 0.466 307 V N 1.763 121.592 119.914 -0.142 0.000 2.555 307 V HA 0.315 4.433 4.120 -0.004 0.000 0.286 307 V C 0.428 176.429 176.094 -0.154 0.000 1.044 307 V CA 0.131 62.321 62.300 -0.183 0.000 1.026 307 V CB 1.108 32.839 31.823 -0.154 0.000 0.981 307 V HN 0.977 nan 8.190 nan 0.000 0.480 308 T N 0.349 114.774 114.554 -0.215 0.000 2.930 308 T HA 0.443 4.791 4.350 -0.004 0.000 0.290 308 T C 0.699 175.264 174.700 -0.226 0.000 1.052 308 T CA -0.541 61.447 62.100 -0.187 0.000 1.017 308 T CB 2.011 70.778 68.868 -0.169 0.000 1.137 308 T HN 0.484 nan 8.240 nan 0.000 0.511 309 E N 0.996 121.096 120.200 -0.168 0.000 2.097 309 E HA -0.230 4.118 4.350 -0.004 0.000 0.196 309 E C 1.915 178.391 176.600 -0.206 0.000 1.000 309 E CA 2.273 58.579 56.400 -0.158 0.000 0.804 309 E CB -0.348 29.287 29.700 -0.109 0.000 0.740 309 E HN 0.905 nan 8.360 nan 0.000 0.454 310 E N -0.465 119.585 120.200 -0.250 0.000 2.333 310 E HA -0.195 4.153 4.350 -0.004 0.000 0.198 310 E C 1.709 178.166 176.600 -0.239 0.000 1.007 310 E CA 1.114 57.351 56.400 -0.272 0.000 0.845 310 E CB -0.314 29.209 29.700 -0.294 0.000 0.766 310 E HN 0.368 nan 8.360 nan 0.000 0.507 311 M N 0.554 119.844 119.600 -0.516 0.000 2.556 311 M HA 0.131 4.609 4.480 -0.004 0.000 0.245 311 M C 0.809 176.690 176.300 -0.698 0.000 1.128 311 M CA 0.533 55.387 55.300 -0.743 0.000 1.069 311 M CB 0.348 32.455 32.600 -0.823 0.000 1.469 311 M HN 0.101 nan 8.290 nan 0.000 0.494 312 L N 0.240 121.136 121.223 -0.546 0.000 3.094 312 L HA 0.450 4.788 4.340 -0.004 0.000 0.254 312 L C 0.678 177.439 176.870 -0.182 0.000 1.298 312 L CA -0.816 53.574 54.840 -0.750 0.000 1.050 312 L CB -0.474 41.314 42.059 -0.451 0.000 1.420 312 L HN 0.024 nan 8.230 nan 0.000 0.548 313 A N 0.500 123.304 122.820 -0.026 0.000 2.448 313 A HA 0.096 4.413 4.320 -0.004 0.000 0.239 313 A C 0.790 178.581 177.584 0.346 0.000 1.080 313 A CA 0.076 52.221 52.037 0.180 0.000 0.779 313 A CB 0.163 19.243 19.000 0.133 0.000 1.026 313 A HN 0.566 nan 8.150 nan 0.000 0.499 314 D N -1.022 119.538 120.400 0.267 0.000 2.323 314 D HA 0.274 4.912 4.640 -0.004 0.000 0.239 314 D C -0.044 176.387 176.300 0.219 0.000 1.129 314 D CA 0.164 54.312 54.000 0.247 0.000 0.865 314 D CB -0.028 40.862 40.800 0.150 0.000 0.913 314 D HN 0.313 nan 8.370 nan 0.000 0.517 315 K N 0.077 120.645 120.400 0.280 0.000 2.589 315 K HA 0.693 5.011 4.320 -0.004 0.000 0.253 315 K C -1.951 174.898 176.600 0.416 0.000 0.974 315 K CA -0.391 56.080 56.287 0.305 0.000 0.835 315 K CB 1.609 34.270 32.500 0.270 0.000 1.272 315 K HN 0.063 nan 8.250 nan 0.000 0.444 316 A N 2.009 125.114 122.820 0.474 0.000 2.586 316 A HA 0.801 5.119 4.320 -0.004 0.000 0.291 316 A C -1.591 176.265 177.584 0.452 0.000 1.062 316 A CA -0.449 51.837 52.037 0.415 0.000 0.666 316 A CB 1.060 20.244 19.000 0.307 0.000 1.281 316 A HN 0.916 nan 8.150 nan 0.000 0.421 317 A N 0.360 123.411 122.820 0.385 0.000 2.289 317 A HA 0.643 4.960 4.320 -0.004 0.000 0.298 317 A C -0.659 177.077 177.584 0.252 0.000 1.208 317 A CA -0.237 52.014 52.037 0.357 0.000 0.845 317 A CB 0.250 19.473 19.000 0.371 0.000 1.125 317 A HN 1.858 nan 8.150 nan 0.000 0.517 318 L N 3.674 125.041 121.223 0.241 0.000 2.341 318 L HA 0.718 5.056 4.340 -0.004 0.000 0.278 318 L C -0.995 175.977 176.870 0.169 0.000 1.005 318 L CA -0.271 54.711 54.840 0.236 0.000 0.818 318 L CB 2.051 44.265 42.059 0.259 0.000 1.259 318 L HN 0.372 nan 8.230 nan 0.000 0.418 319 V N 5.855 125.862 119.914 0.155 0.000 2.443 319 V HA 0.464 4.581 4.120 -0.004 0.000 0.293 319 V C -0.734 175.428 176.094 0.113 0.000 1.021 319 V CA -0.551 61.818 62.300 0.115 0.000 0.848 319 V CB 1.848 33.721 31.823 0.082 0.000 0.998 319 V HN 0.503 nan 8.190 nan 0.000 0.424 320 V N 4.079 124.051 119.914 0.098 0.000 2.289 320 V HA 0.338 4.456 4.120 -0.004 0.000 0.272 320 V C 0.047 176.178 176.094 0.061 0.000 1.026 320 V CA -0.666 61.684 62.300 0.083 0.000 0.807 320 V CB 1.337 33.208 31.823 0.079 0.000 1.044 320 V HN 0.911 nan 8.190 nan 0.000 0.443 321 E N 3.316 123.560 120.200 0.073 0.000 2.324 321 E HA 0.341 4.689 4.350 -0.004 0.000 0.271 321 E C -0.763 175.855 176.600 0.030 0.000 1.028 321 E CA 0.201 56.644 56.400 0.070 0.000 0.890 321 E CB 1.154 30.929 29.700 0.125 0.000 1.004 321 E HN 0.417 nan 8.360 nan 0.000 0.431 322 V N 6.507 126.425 119.914 0.007 0.000 2.380 322 V HA 0.090 4.207 4.120 -0.004 0.000 0.286 322 V C 0.820 176.879 176.094 -0.058 0.000 1.015 322 V CA -0.543 61.751 62.300 -0.010 0.000 0.834 322 V CB 1.414 33.251 31.823 0.024 0.000 1.009 322 V HN 0.691 nan 8.190 nan 0.000 0.428 323 V N 2.342 122.165 119.914 -0.151 0.000 2.379 323 V HA -0.020 4.097 4.120 -0.004 0.000 0.245 323 V C 1.309 177.308 176.094 -0.158 0.000 1.044 323 V CA 1.051 63.177 62.300 -0.291 0.000 1.036 323 V CB -0.244 31.296 31.823 -0.472 0.000 0.664 323 V HN 0.815 nan 8.190 nan 0.000 0.453 324 E N 1.073 121.216 120.200 -0.094 0.000 2.502 324 E HA -0.074 4.274 4.350 -0.004 0.000 0.261 324 E C 1.270 177.850 176.600 -0.033 0.000 0.974 324 E CA 0.129 56.492 56.400 -0.062 0.000 0.936 324 E CB 0.525 30.191 29.700 -0.056 0.000 0.926 324 E HN 0.453 nan 8.360 nan 0.000 0.459 325 E N 1.890 122.067 120.200 -0.038 0.000 2.049 325 E HA -0.181 4.166 4.350 -0.004 0.000 0.198 325 E C 0.723 177.276 176.600 -0.079 0.000 1.007 325 E CA 0.899 57.282 56.400 -0.029 0.000 0.809 325 E CB 0.024 29.705 29.700 -0.032 0.000 0.749 325 E HN 0.349 nan 8.360 nan 0.000 0.450 326 N N 0.679 119.305 118.700 -0.124 0.000 2.406 326 N HA -0.041 4.697 4.740 -0.004 0.000 0.251 326 N C 0.098 175.479 175.510 -0.215 0.000 1.069 326 N CA -0.020 52.887 53.050 -0.238 0.000 0.947 326 N CB 0.415 38.813 38.487 -0.148 0.000 1.111 326 N HN 0.058 nan 8.380 nan 0.000 0.497 327 Y N 1.469 121.689 120.300 -0.132 0.000 2.529 327 Y HA 0.250 4.797 4.550 -0.004 0.000 0.290 327 Y C 0.425 176.184 175.900 -0.234 0.000 1.177 327 Y CA -0.424 57.578 58.100 -0.163 0.000 1.305 327 Y CB -0.850 37.529 38.460 -0.134 0.000 1.047 327 Y HN 0.390 nan 8.280 nan 0.000 0.522 328 H N 2.961 121.954 119.070 -0.127 0.000 3.091 328 H HA -0.002 4.552 4.556 -0.004 0.000 0.289 328 H C 0.325 175.092 175.328 -0.935 0.000 0.995 328 H CA 1.080 56.885 56.048 -0.406 0.000 1.461 328 H CB 0.334 29.906 29.762 -0.317 0.000 1.510 328 H HN 0.359 nan 8.280 nan 0.000 0.546 329 D N 0.865 120.419 120.400 -1.410 0.000 2.837 329 D HA -0.178 4.460 4.640 -0.004 0.000 0.230 329 D C -0.158 175.929 176.300 -0.354 0.000 1.152 329 D CA 0.896 54.353 54.000 -0.905 0.000 0.736 329 D CB -0.714 39.387 40.800 -1.166 0.000 1.084 329 D HN 0.749 nan 8.370 nan 0.000 0.429 330 A N -0.237 122.457 122.820 -0.211 0.000 2.264 330 A HA 0.736 5.054 4.320 -0.004 0.000 0.304 330 A C -2.203 175.358 177.584 -0.039 0.000 1.100 330 A CA -1.009 50.968 52.037 -0.101 0.000 0.839 330 A CB 0.726 19.692 19.000 -0.056 0.000 1.121 330 A HN 0.104 nan 8.150 nan 0.000 0.496 331 P HA 0.446 nan 4.420 nan 0.000 0.277 331 P C -1.032 176.270 177.300 0.003 0.000 1.240 331 P CA -0.044 63.052 63.100 -0.007 0.000 0.798 331 P CB 0.562 32.255 31.700 -0.010 0.000 0.979 332 I N 2.117 122.697 120.570 0.016 0.000 2.330 332 I HA 0.072 4.239 4.170 -0.004 0.000 0.286 332 I C 1.404 177.536 176.117 0.026 0.000 1.025 332 I CA -0.552 60.761 61.300 0.022 0.000 1.197 332 I CB 1.481 39.499 38.000 0.030 0.000 1.358 332 I HN 0.180 nan 8.210 nan 0.000 0.467 333 V N 3.040 122.976 119.914 0.037 0.000 3.306 333 V HA 0.456 4.574 4.120 -0.004 0.000 0.264 333 V C 0.743 176.910 176.094 0.120 0.000 1.149 333 V CA 0.808 63.151 62.300 0.070 0.000 1.143 333 V CB -0.672 31.196 31.823 0.074 0.000 0.767 333 V HN 0.815 nan 8.190 nan 0.000 0.476 334 G N -0.849 108.004 108.800 0.089 0.000 2.368 334 G HA2 0.606 4.563 3.960 -0.004 0.000 0.293 334 G HA3 0.606 4.563 3.960 -0.004 0.000 0.293 334 G C -1.797 173.069 174.900 -0.056 0.000 1.467 334 G CA -0.667 44.463 45.100 0.051 0.000 0.804 334 G HN 0.191 nan 8.290 nan 0.000 0.535 335 I N 0.083 120.470 120.570 -0.306 0.000 2.722 335 I HA 0.696 4.864 4.170 -0.004 0.000 0.295 335 I C -0.079 175.926 176.117 -0.187 0.000 1.161 335 I CA -0.990 60.200 61.300 -0.182 0.000 1.032 335 I CB 2.389 40.267 38.000 -0.202 0.000 1.244 335 I HN 0.891 nan 8.210 nan 0.000 0.421 336 A N 5.246 128.074 122.820 0.013 0.000 2.449 336 A HA 0.905 5.223 4.320 -0.004 0.000 0.302 336 A C -1.511 176.137 177.584 0.107 0.000 1.048 336 A CA -0.538 51.539 52.037 0.067 0.000 0.708 336 A CB 1.950 20.999 19.000 0.082 0.000 1.274 336 A HN 0.376 nan 8.150 nan 0.000 0.410 337 V N 1.859 121.851 119.914 0.130 0.000 2.638 337 V HA 0.597 4.715 4.120 -0.004 0.000 0.306 337 V C -0.794 175.383 176.094 0.139 0.000 1.052 337 V CA -0.512 61.873 62.300 0.141 0.000 0.885 337 V CB 1.819 33.684 31.823 0.070 0.000 0.999 337 V HN 0.747 nan 8.190 nan 0.000 0.424 338 V N 5.216 125.121 119.914 -0.016 0.000 2.531 338 V HA 0.716 4.833 4.120 -0.004 0.000 0.301 338 V C -0.483 175.226 176.094 -0.640 0.000 1.034 338 V CA -0.438 61.701 62.300 -0.269 0.000 0.865 338 V CB 1.956 33.583 31.823 -0.328 0.000 0.995 338 V HN 1.146 nan 8.190 nan 0.000 0.424 339 N N 2.093 120.372 118.700 -0.701 0.000 3.439 339 N HA 0.300 5.037 4.740 -0.004 0.000 0.313 339 N C 0.537 175.703 175.510 -0.573 0.000 1.598 339 N CA -0.717 51.819 53.050 -0.858 0.000 0.830 339 N CB 0.771 39.092 38.487 -0.276 0.000 1.849 339 N HN 0.300 nan 8.380 nan 0.000 0.598 340 E N -0.937 119.066 120.200 -0.328 0.000 2.065 340 E HA -0.268 4.079 4.350 -0.004 0.000 0.201 340 E C 0.939 177.411 176.600 -0.213 0.000 1.016 340 E CA 1.984 58.248 56.400 -0.226 0.000 0.818 340 E CB -0.401 29.070 29.700 -0.381 0.000 0.749 340 E HN 0.483 nan 8.360 nan 0.000 0.453 341 H N -0.685 118.420 119.070 0.058 0.000 2.491 341 H HA 0.146 4.699 4.556 -0.005 0.000 0.290 341 H C 1.232 176.574 175.328 0.024 0.000 1.050 341 H CA 1.148 57.252 56.048 0.094 0.000 1.309 341 H CB 0.271 30.141 29.762 0.180 0.000 1.392 341 H HN 0.282 nan 8.280 nan 0.000 0.554 342 G N -0.109 108.686 108.800 -0.009 0.000 2.339 342 G HA2 0.133 4.091 3.960 -0.004 0.000 0.275 342 G HA3 0.133 4.091 3.960 -0.004 0.000 0.275 342 G C -1.401 173.202 174.900 -0.494 0.000 1.323 342 G CA -1.139 43.779 45.100 -0.304 0.000 0.927 342 G HN 0.132 nan 8.290 nan 0.000 0.486 343 R N -0.406 119.703 120.500 -0.650 0.000 2.445 343 R HA 0.691 5.028 4.340 -0.004 0.000 0.308 343 R C -1.401 174.565 176.300 -0.556 0.000 0.961 343 R CA -0.391 55.463 56.100 -0.410 0.000 0.862 343 R CB 1.337 31.553 30.300 -0.141 0.000 1.144 343 R HN 0.302 nan 8.270 nan 0.000 0.447 344 F N 1.872 121.849 119.950 0.046 0.000 2.576 344 F HA 0.473 5.001 4.527 0.002 0.000 0.313 344 F C -0.562 175.301 175.800 0.104 0.000 1.078 344 F CA -1.187 56.869 58.000 0.094 0.000 0.921 344 F CB 1.510 40.509 39.000 -0.001 0.000 1.232 344 F HN 0.345 nan 8.300 nan 0.000 0.459 345 F N 3.552 123.627 119.950 0.208 0.000 2.507 345 F HA 0.806 5.331 4.527 -0.004 0.000 0.325 345 F C -1.806 174.025 175.800 0.051 0.000 1.116 345 F CA -0.864 57.175 58.000 0.065 0.000 0.930 345 F CB 1.023 40.037 39.000 0.023 0.000 1.146 345 F HN 0.329 nan 8.300 nan 0.000 0.447 346 L N 6.144 126.854 121.223 -0.855 0.000 2.362 346 L HA 0.586 4.924 4.340 -0.004 0.000 0.271 346 L C -0.437 175.885 176.870 -0.913 0.000 1.002 346 L CA -1.084 53.342 54.840 -0.690 0.000 0.818 346 L CB 2.259 43.970 42.059 -0.580 0.000 1.298 346 L HN 0.571 nan 8.230 nan 0.000 0.420 347 R N 3.046 123.248 120.500 -0.496 0.000 2.390 347 R HA 0.194 4.531 4.340 -0.004 0.000 0.291 347 R C -1.559 174.592 176.300 -0.248 0.000 1.070 347 R CA -1.564 54.361 56.100 -0.293 0.000 1.014 347 R CB 0.964 31.221 30.300 -0.071 0.000 1.007 347 R HN 0.387 nan 8.270 nan 0.000 0.466 348 P HA -0.264 nan 4.420 nan 0.000 0.216 348 P C 0.783 178.039 177.300 -0.073 0.000 1.153 348 P CA 1.538 64.571 63.100 -0.111 0.000 0.858 348 P CB 0.195 31.868 31.700 -0.045 0.000 0.789 349 E N -0.318 119.853 120.200 -0.048 0.000 2.204 349 E HA -0.117 4.230 4.350 -0.004 0.000 0.195 349 E C 1.500 178.074 176.600 -0.043 0.000 0.990 349 E CA 1.436 57.820 56.400 -0.027 0.000 0.821 349 E CB -1.628 28.066 29.700 -0.010 0.000 0.750 349 E HN 0.202 nan 8.360 nan 0.000 0.477 350 T N 0.583 115.087 114.554 -0.082 0.000 3.010 350 T HA 0.264 4.612 4.350 -0.004 0.000 0.252 350 T C 1.889 176.502 174.700 -0.145 0.000 1.047 350 T CA 0.992 63.034 62.100 -0.097 0.000 1.140 350 T CB 0.056 68.860 68.868 -0.107 0.000 0.885 350 T HN 0.386 nan 8.240 nan 0.000 0.464 351 A N 1.224 123.899 122.820 -0.242 0.000 1.903 351 A HA 0.250 4.568 4.320 -0.004 0.000 0.213 351 A C 2.009 179.541 177.584 -0.087 0.000 1.185 351 A CA 0.703 52.495 52.037 -0.409 0.000 0.628 351 A CB -0.608 17.847 19.000 -0.908 0.000 0.830 351 A HN 0.437 nan 8.150 nan 0.000 0.446 352 L N -0.747 120.480 121.223 0.008 0.000 2.610 352 L HA 0.011 4.349 4.340 -0.004 0.000 0.232 352 L C 2.353 179.278 176.870 0.092 0.000 1.149 352 L CA 0.575 55.494 54.840 0.132 0.000 0.872 352 L CB -0.181 41.936 42.059 0.097 0.000 0.992 352 L HN 0.449 nan 8.230 nan 0.000 0.447 353 A N -1.800 121.048 122.820 0.047 0.000 2.197 353 A HA -0.008 4.310 4.320 -0.004 0.000 0.210 353 A C 0.797 178.407 177.584 0.043 0.000 1.180 353 A CA -0.150 51.909 52.037 0.036 0.000 0.846 353 A CB 0.063 19.070 19.000 0.012 0.000 0.884 353 A HN 0.221 nan 8.150 nan 0.000 0.487 354 D N 1.152 121.585 120.400 0.054 0.000 2.339 354 D HA 0.118 4.755 4.640 -0.004 0.000 0.256 354 D C -1.442 174.921 176.300 0.104 0.000 1.214 354 D CA -1.558 52.479 54.000 0.062 0.000 0.877 354 D CB 1.415 42.243 40.800 0.047 0.000 1.111 354 D HN 0.102 nan 8.370 nan 0.000 0.478 355 P HA -0.174 nan 4.420 nan 0.000 0.219 355 P C 1.033 178.381 177.300 0.079 0.000 1.146 355 P CA 1.146 64.284 63.100 0.065 0.000 0.808 355 P CB 0.500 32.224 31.700 0.039 0.000 0.779 356 Q N -1.523 118.329 119.800 0.088 0.000 2.083 356 Q HA -0.106 4.232 4.340 -0.004 0.000 0.198 356 Q C 2.191 178.287 176.000 0.159 0.000 0.969 356 Q CA 0.934 56.793 55.803 0.094 0.000 0.838 356 Q CB -0.566 28.206 28.738 0.058 0.000 0.900 356 Q HN 0.170 nan 8.270 nan 0.000 0.436 357 F N 1.129 121.098 119.950 0.031 0.000 2.075 357 F HA -0.225 4.299 4.527 -0.005 0.000 0.297 357 F C 2.083 177.992 175.800 0.181 0.000 1.113 357 F CA 1.106 59.154 58.000 0.080 0.000 1.218 357 F CB -0.368 38.635 39.000 0.006 0.000 0.984 357 F HN -0.211 nan 8.300 nan 0.000 0.472 358 V N 0.461 120.464 119.914 0.149 0.000 2.392 358 V HA -0.344 3.773 4.120 -0.004 0.000 0.249 358 V C 2.688 178.767 176.094 -0.026 0.000 1.059 358 V CA 1.849 64.168 62.300 0.031 0.000 1.051 358 V CB -1.570 30.296 31.823 0.072 0.000 0.658 358 V HN 0.500 nan 8.190 nan 0.000 0.455 359 A N -1.190 121.644 122.820 0.024 0.000 1.930 359 A HA -0.260 4.058 4.320 -0.004 0.000 0.217 359 A C 1.939 179.522 177.584 -0.001 0.000 1.175 359 A CA 1.730 53.772 52.037 0.009 0.000 0.627 359 A CB -0.829 18.193 19.000 0.037 0.000 0.815 359 A HN 0.744 nan 8.150 nan 0.000 0.443 360 W N 0.721 121.918 121.300 -0.171 0.000 2.358 360 W HA -0.134 4.524 4.660 -0.004 0.000 0.303 360 W C 1.658 178.021 176.519 -0.260 0.000 1.208 360 W CA 1.780 59.003 57.345 -0.203 0.000 1.274 360 W CB -0.323 28.995 29.460 -0.236 0.000 1.138 360 W HN 0.240 nan 8.180 nan 0.000 0.515 361 L N 0.263 121.263 121.223 -0.371 0.000 2.079 361 L HA -0.104 4.234 4.340 -0.004 0.000 0.210 361 L C 2.473 179.097 176.870 -0.411 0.000 1.081 361 L CA 1.545 56.066 54.840 -0.531 0.000 0.752 361 L CB -1.284 40.559 42.059 -0.360 0.000 0.896 361 L HN 0.252 nan 8.230 nan 0.000 0.433 362 G N -2.054 106.583 108.800 -0.271 0.000 3.042 362 G HA2 -0.105 3.853 3.960 -0.004 0.000 0.212 362 G HA3 -0.105 3.853 3.960 -0.004 0.000 0.212 362 G C 0.226 175.008 174.900 -0.197 0.000 1.166 362 G CA -0.229 44.748 45.100 -0.205 0.000 0.767 362 G HN 0.126 nan 8.290 nan 0.000 0.546 363 D N 0.952 121.207 120.400 -0.243 0.000 2.352 363 D HA 0.063 4.701 4.640 -0.004 0.000 0.245 363 D C 1.094 177.259 176.300 -0.224 0.000 1.224 363 D CA -0.220 53.666 54.000 -0.190 0.000 0.879 363 D CB 0.840 41.548 40.800 -0.153 0.000 1.057 363 D HN 0.290 nan 8.370 nan 0.000 0.491 364 E N 1.795 121.901 120.200 -0.156 0.000 2.265 364 E HA -0.160 4.188 4.350 -0.004 0.000 0.196 364 E C 1.281 177.811 176.600 -0.116 0.000 0.996 364 E CA 0.991 57.306 56.400 -0.140 0.000 0.832 364 E CB 0.370 30.011 29.700 -0.099 0.000 0.756 364 E HN 0.587 nan 8.360 nan 0.000 0.491 365 T N -1.354 113.143 114.554 -0.094 0.000 3.085 365 T HA 0.039 4.386 4.350 -0.004 0.000 0.263 365 T C 0.796 175.464 174.700 -0.053 0.000 1.127 365 T CA 0.050 62.117 62.100 -0.055 0.000 1.103 365 T CB 0.158 69.011 68.868 -0.026 0.000 0.921 365 T HN -0.172 nan 8.240 nan 0.000 0.510 366 K N 2.828 123.154 120.400 -0.123 0.000 2.250 366 K HA 0.306 4.624 4.320 -0.004 0.000 0.280 366 K C -0.305 176.177 176.600 -0.196 0.000 1.098 366 K CA -0.303 55.903 56.287 -0.134 0.000 0.916 366 K CB 0.971 33.267 32.500 -0.340 0.000 1.209 366 K HN 0.218 nan 8.250 nan 0.000 0.461 367 K N 2.720 123.090 120.400 -0.050 0.000 2.276 367 K HA 0.217 4.535 4.320 -0.004 0.000 0.283 367 K C -0.059 176.551 176.600 0.017 0.000 1.044 367 K CA -0.454 55.815 56.287 -0.030 0.000 0.944 367 K CB 0.713 33.227 32.500 0.024 0.000 1.012 367 K HN 0.251 nan 8.250 nan 0.000 0.472 368 K N 0.714 121.102 120.400 -0.021 0.000 2.324 368 K HA 0.367 4.684 4.320 -0.004 0.000 0.253 368 K C -0.688 175.982 176.600 0.116 0.000 0.932 368 K CA -0.426 55.891 56.287 0.050 0.000 0.799 368 K CB 1.900 34.357 32.500 -0.072 0.000 1.154 368 K HN 0.318 nan 8.250 nan 0.000 0.425 369 S N 2.989 118.814 115.700 0.208 0.000 2.451 369 S HA 0.641 5.108 4.470 -0.004 0.000 0.301 369 S C -0.550 174.182 174.600 0.220 0.000 1.116 369 S CA -0.802 57.565 58.200 0.278 0.000 1.093 369 S CB 0.478 63.881 63.200 0.339 0.000 1.017 369 S HN 0.467 nan 8.310 nan 0.000 0.482 370 M N 1.786 121.473 119.600 0.144 0.000 3.079 370 M HA 0.561 5.039 4.480 -0.004 0.000 0.277 370 M C -1.725 174.617 176.300 0.071 0.000 1.317 370 M CA -0.719 54.644 55.300 0.105 0.000 0.793 370 M CB 1.628 34.256 32.600 0.046 0.000 1.690 370 M HN 0.592 nan 8.290 nan 0.000 0.451 371 F N 1.855 121.770 119.950 -0.059 0.000 2.496 371 F HA 0.381 4.906 4.527 -0.003 0.000 0.341 371 F C -0.484 175.270 175.800 -0.076 0.000 1.134 371 F CA -0.205 57.742 58.000 -0.089 0.000 0.968 371 F CB 0.758 39.722 39.000 -0.059 0.000 1.205 371 F HN 0.698 nan 8.300 nan 0.000 0.436 372 D N 3.319 123.468 120.400 -0.419 0.000 2.872 372 D HA -0.210 4.428 4.640 -0.004 0.000 0.248 372 D C 0.915 177.124 176.300 -0.151 0.000 1.104 372 D CA 1.010 54.847 54.000 -0.271 0.000 0.784 372 D CB -0.769 39.972 40.800 -0.099 0.000 1.036 372 D HN 0.598 nan 8.370 nan 0.000 0.426 373 S N 0.573 116.174 115.700 -0.166 0.000 2.447 373 S HA -0.216 4.251 4.470 -0.004 0.000 0.233 373 S C 1.844 176.343 174.600 -0.169 0.000 1.006 373 S CA 1.326 59.445 58.200 -0.136 0.000 0.957 373 S CB 0.027 63.151 63.200 -0.127 0.000 0.773 373 S HN 0.553 nan 8.310 nan 0.000 0.507 374 K N 1.819 122.108 120.400 -0.184 0.000 2.097 374 K HA -0.082 4.236 4.320 -0.004 0.000 0.206 374 K C 2.505 178.853 176.600 -0.420 0.000 1.049 374 K CA 1.112 57.277 56.287 -0.203 0.000 0.933 374 K CB -0.225 32.209 32.500 -0.109 0.000 0.717 374 K HN 0.468 nan 8.250 nan 0.000 0.442 375 R N 0.177 120.366 120.500 -0.518 0.000 2.073 375 R HA -0.128 4.210 4.340 -0.004 0.000 0.234 375 R C 2.073 178.027 176.300 -0.577 0.000 1.134 375 R CA 1.575 57.119 56.100 -0.925 0.000 0.952 375 R CB -0.377 29.680 30.300 -0.405 0.000 0.850 375 R HN 0.265 nan 8.270 nan 0.000 0.433 376 A N 0.639 123.288 122.820 -0.285 0.000 1.929 376 A HA 0.022 4.340 4.320 -0.004 0.000 0.216 376 A C 2.367 179.857 177.584 -0.156 0.000 1.176 376 A CA 1.345 53.286 52.037 -0.159 0.000 0.628 376 A CB -0.670 18.282 19.000 -0.079 0.000 0.816 376 A HN 0.556 nan 8.150 nan 0.000 0.444 377 A N -0.410 122.298 122.820 -0.186 0.000 1.877 377 A HA -0.017 4.300 4.320 -0.004 0.000 0.216 377 A C 2.227 179.712 177.584 -0.166 0.000 1.186 377 A CA 1.890 53.828 52.037 -0.166 0.000 0.620 377 A CB -0.916 17.990 19.000 -0.157 0.000 0.822 377 A HN 0.377 nan 8.150 nan 0.000 0.443 378 V N -0.202 119.607 119.914 -0.175 0.000 2.307 378 V HA -0.201 3.917 4.120 -0.004 0.000 0.245 378 V C 3.058 179.244 176.094 0.153 0.000 1.045 378 V CA 1.821 64.114 62.300 -0.013 0.000 1.024 378 V CB -1.291 30.586 31.823 0.090 0.000 0.651 378 V HN 0.606 nan 8.190 nan 0.000 0.449 379 A N -0.263 122.590 122.820 0.055 0.000 1.940 379 A HA -0.177 4.141 4.320 -0.004 0.000 0.219 379 A C 2.216 179.874 177.584 0.124 0.000 1.176 379 A CA 1.856 53.976 52.037 0.139 0.000 0.631 379 A CB -0.534 18.485 19.000 0.032 0.000 0.814 379 A HN 0.522 nan 8.150 nan 0.000 0.446 380 L N -1.191 120.040 121.223 0.012 0.000 2.109 380 L HA -0.123 4.214 4.340 -0.004 0.000 0.207 380 L C 2.526 179.343 176.870 -0.088 0.000 1.086 380 L CA 1.276 56.105 54.840 -0.019 0.000 0.760 380 L CB -0.347 41.678 42.059 -0.057 0.000 0.910 380 L HN 0.333 nan 8.230 nan 0.000 0.437 381 K N -0.542 119.716 120.400 -0.237 0.000 2.057 381 K HA -0.206 4.112 4.320 -0.004 0.000 0.207 381 K C 1.880 178.204 176.600 -0.459 0.000 1.049 381 K CA 1.719 57.637 56.287 -0.616 0.000 0.931 381 K CB -0.244 31.457 32.500 -1.332 0.000 0.714 381 K HN 0.253 nan 8.250 nan 0.000 0.440 382 W N 1.324 122.553 121.300 -0.117 0.000 2.468 382 W HA -0.109 4.548 4.660 -0.004 0.000 0.262 382 W C 1.346 177.915 176.519 0.085 0.000 1.241 382 W CA 0.804 58.252 57.345 0.173 0.000 1.232 382 W CB 0.166 29.741 29.460 0.192 0.000 1.124 382 W HN -0.037 nan 8.180 nan 0.000 0.597 383 K N -0.441 120.075 120.400 0.193 0.000 2.397 383 K HA 0.265 4.583 4.320 -0.004 0.000 0.202 383 K C 1.174 177.808 176.600 0.057 0.000 1.022 383 K CA 0.469 56.831 56.287 0.126 0.000 1.141 383 K CB 0.456 33.016 32.500 0.100 0.000 0.857 383 K HN 0.005 nan 8.250 nan 0.000 0.514 384 G N 2.018 110.825 108.800 0.010 0.000 2.198 384 G HA2 -0.261 3.696 3.960 -0.004 0.000 0.260 384 G HA3 -0.261 3.696 3.960 -0.004 0.000 0.260 384 G C -0.067 174.807 174.900 -0.043 0.000 1.025 384 G CA 0.047 45.133 45.100 -0.023 0.000 0.769 384 G HN 0.287 nan 8.290 nan 0.000 0.507 385 I N -0.059 120.472 120.570 -0.066 0.000 2.465 385 I HA 0.374 4.542 4.170 -0.004 0.000 0.291 385 I C 0.183 176.232 176.117 -0.113 0.000 1.014 385 I CA -0.798 60.464 61.300 -0.063 0.000 1.093 385 I CB 1.994 39.981 38.000 -0.023 0.000 1.267 385 I HN 0.191 nan 8.210 nan 0.000 0.431 386 E N 6.104 126.235 120.200 -0.114 0.000 2.200 386 E HA 0.339 4.686 4.350 -0.004 0.000 0.283 386 E C -1.413 175.097 176.600 -0.150 0.000 1.015 386 E CA -0.834 55.483 56.400 -0.138 0.000 0.819 386 E CB 1.542 31.168 29.700 -0.123 0.000 1.081 386 E HN 0.389 nan 8.360 nan 0.000 0.397 387 L N 5.779 126.906 121.223 -0.160 0.000 2.275 387 L HA 0.403 4.740 4.340 -0.004 0.000 0.288 387 L C -1.385 175.376 176.870 -0.182 0.000 1.046 387 L CA -0.078 54.653 54.840 -0.182 0.000 0.805 387 L CB 0.696 42.658 42.059 -0.161 0.000 1.193 387 L HN 0.691 nan 8.230 nan 0.000 0.426 388 C N 2.386 121.554 119.300 -0.220 0.000 3.044 388 C HA 0.793 5.250 4.460 -0.004 0.000 0.315 388 C C 1.056 175.910 174.990 -0.226 0.000 1.320 388 C CA -0.126 58.776 59.018 -0.193 0.000 1.582 388 C CB 1.372 29.008 27.740 -0.174 0.000 2.039 388 C HN 1.081 nan 8.230 nan 0.000 0.466 389 G N 0.553 109.249 108.800 -0.172 0.000 2.153 389 G HA2 -0.184 3.773 3.960 -0.004 0.000 0.252 389 G HA3 -0.184 3.773 3.960 -0.004 0.000 0.252 389 G C -0.112 174.709 174.900 -0.131 0.000 0.994 389 G CA 0.350 45.353 45.100 -0.161 0.000 0.698 389 G HN 0.881 nan 8.290 nan 0.000 0.521 390 V N 1.891 121.736 119.914 -0.114 0.000 2.397 390 V HA 0.359 4.476 4.120 -0.004 0.000 0.262 390 V C 1.588 177.664 176.094 -0.030 0.000 1.047 390 V CA 0.965 63.221 62.300 -0.073 0.000 1.003 390 V CB 0.994 32.766 31.823 -0.086 0.000 1.037 390 V HN 0.802 nan 8.190 nan 0.000 0.480 391 S N 4.108 119.821 115.700 0.020 0.000 2.517 391 S HA 0.250 4.717 4.470 -0.004 0.000 0.214 391 S C -0.072 174.622 174.600 0.157 0.000 0.991 391 S CA -0.110 58.126 58.200 0.059 0.000 0.906 391 S CB 0.093 63.325 63.200 0.053 0.000 0.789 391 S HN 0.574 nan 8.310 nan 0.000 0.513 392 F N 1.622 121.554 119.950 -0.030 0.000 2.605 392 F HA 0.497 5.022 4.527 -0.004 0.000 0.320 392 F C -2.136 173.640 175.800 -0.039 0.000 1.159 392 F CA -0.943 57.041 58.000 -0.028 0.000 0.999 392 F CB 1.653 40.639 39.000 -0.023 0.000 1.258 392 F HN -0.037 nan 8.300 nan 0.000 0.464 393 D N 6.448 126.370 120.400 -0.798 0.000 2.453 393 D HA 0.150 4.788 4.640 -0.004 0.000 0.238 393 D C 0.702 176.421 176.300 -0.968 0.000 1.088 393 D CA -0.288 53.313 54.000 -0.666 0.000 0.854 393 D CB 1.657 42.216 40.800 -0.401 0.000 1.076 393 D HN 0.697 nan 8.370 nan 0.000 0.533 394 L N 5.221 125.949 121.223 -0.826 0.000 2.081 394 L HA -0.149 4.188 4.340 -0.004 0.000 0.212 394 L C 1.953 178.550 176.870 -0.454 0.000 1.080 394 L CA 1.603 56.102 54.840 -0.569 0.000 0.754 394 L CB -0.651 41.363 42.059 -0.075 0.000 0.893 394 L HN 0.540 nan 8.230 nan 0.000 0.433 395 L N -0.999 119.741 121.223 -0.805 0.000 2.042 395 L HA -0.197 4.140 4.340 -0.004 0.000 0.210 395 L C 2.237 178.905 176.870 -0.337 0.000 1.076 395 L CA 1.880 56.194 54.840 -0.876 0.000 0.749 395 L CB -0.571 40.652 42.059 -1.393 0.000 0.893 395 L HN 0.299 nan 8.230 nan 0.000 0.432 396 L N -0.836 120.195 121.223 -0.320 0.000 2.156 396 L HA -0.072 4.266 4.340 -0.004 0.000 0.208 396 L C 2.647 179.516 176.870 -0.002 0.000 1.095 396 L CA 0.839 55.613 54.840 -0.111 0.000 0.770 396 L CB -0.888 41.082 42.059 -0.148 0.000 0.914 396 L HN 0.381 nan 8.230 nan 0.000 0.439 397 A N 0.331 123.087 122.820 -0.107 0.000 1.873 397 A HA -0.143 4.174 4.320 -0.004 0.000 0.215 397 A C 2.547 180.299 177.584 0.280 0.000 1.186 397 A CA 1.688 53.779 52.037 0.090 0.000 0.616 397 A CB -0.644 18.414 19.000 0.097 0.000 0.823 397 A HN 0.368 nan 8.150 nan 0.000 0.442 398 A N -1.545 121.446 122.820 0.286 0.000 1.902 398 A HA -0.105 4.213 4.320 -0.004 0.000 0.217 398 A C 2.145 179.891 177.584 0.269 0.000 1.181 398 A CA 1.680 53.965 52.037 0.413 0.000 0.623 398 A CB -0.842 18.388 19.000 0.383 0.000 0.818 398 A HN 0.738 nan 8.150 nan 0.000 0.443 399 Y N 0.597 120.949 120.300 0.085 0.000 2.165 399 Y HA -0.162 4.386 4.550 -0.005 0.000 0.286 399 Y C 1.877 177.816 175.900 0.065 0.000 1.155 399 Y CA 1.796 59.932 58.100 0.060 0.000 1.164 399 Y CB -0.283 38.182 38.460 0.009 0.000 0.978 399 Y HN 0.220 nan 8.280 nan 0.000 0.513 400 L N -0.820 120.390 121.223 -0.020 0.000 2.109 400 L HA -0.195 4.143 4.340 -0.004 0.000 0.207 400 L C 2.420 179.246 176.870 -0.074 0.000 1.086 400 L CA 0.841 55.613 54.840 -0.114 0.000 0.760 400 L CB -0.530 41.533 42.059 0.007 0.000 0.910 400 L HN 0.269 nan 8.230 nan 0.000 0.437 401 L N -0.824 120.414 121.223 0.024 0.000 2.046 401 L HA -0.102 4.236 4.340 -0.004 0.000 0.208 401 L C 0.336 177.261 176.870 0.091 0.000 1.077 401 L CA 1.012 55.876 54.840 0.039 0.000 0.747 401 L CB -0.039 42.046 42.059 0.042 0.000 0.896 401 L HN 0.261 nan 8.230 nan 0.000 0.432 402 D N -1.921 118.524 120.400 0.074 0.000 2.312 402 D HA 0.095 4.732 4.640 -0.004 0.000 0.229 402 D C -2.043 174.293 176.300 0.059 0.000 1.337 402 D CA -1.126 52.948 54.000 0.124 0.000 0.964 402 D CB 1.238 42.120 40.800 0.137 0.000 1.456 402 D HN -0.200 nan 8.370 nan 0.000 0.547 403 P HA -0.058 nan 4.420 nan 0.000 0.220 403 P C 1.141 178.503 177.300 0.104 0.000 1.148 403 P CA 0.544 63.621 63.100 -0.038 0.000 0.803 403 P CB 0.329 31.881 31.700 -0.246 0.000 0.782 404 A N -0.093 122.783 122.820 0.093 0.000 2.067 404 A HA -0.177 4.140 4.320 -0.004 0.000 0.219 404 A C 2.389 180.029 177.584 0.094 0.000 1.158 404 A CA 1.330 53.423 52.037 0.094 0.000 0.661 404 A CB -1.139 17.915 19.000 0.090 0.000 0.801 404 A HN 0.087 nan 8.150 nan 0.000 0.452 405 Q N -0.439 119.424 119.800 0.105 0.000 2.226 405 Q HA 0.043 4.381 4.340 -0.004 0.000 0.204 405 Q C 1.247 177.318 176.000 0.119 0.000 0.975 405 Q CA 1.201 57.066 55.803 0.103 0.000 0.866 405 Q CB -0.675 28.133 28.738 0.116 0.000 0.915 405 Q HN 1.045 nan 8.270 nan 0.000 0.440 406 G N -0.355 108.533 108.800 0.147 0.000 2.272 406 G HA2 -0.230 3.727 3.960 -0.004 0.000 0.280 406 G HA3 -0.230 3.727 3.960 -0.004 0.000 0.280 406 G C -0.340 174.657 174.900 0.162 0.000 1.067 406 G CA 0.225 45.413 45.100 0.148 0.000 0.902 406 G HN 0.250 nan 8.290 nan 0.000 0.500 407 V N 1.410 121.444 119.914 0.199 0.000 2.425 407 V HA 0.271 4.389 4.120 -0.004 0.000 0.276 407 V C 1.133 177.389 176.094 0.270 0.000 1.017 407 V CA 1.038 63.479 62.300 0.234 0.000 1.062 407 V CB 1.012 33.004 31.823 0.282 0.000 0.997 407 V HN 0.646 nan 8.190 nan 0.000 0.476 408 D N 2.167 122.724 120.400 0.262 0.000 2.500 408 D HA 0.136 4.774 4.640 -0.004 0.000 0.217 408 D C -0.017 176.475 176.300 0.320 0.000 1.159 408 D CA -0.155 54.020 54.000 0.292 0.000 0.828 408 D CB 0.532 41.439 40.800 0.179 0.000 1.039 408 D HN 0.630 nan 8.370 nan 0.000 0.512 409 D N -1.239 119.263 120.400 0.169 0.000 2.599 409 D HA 0.072 4.710 4.640 -0.004 0.000 0.252 409 D C 0.927 176.847 176.300 -0.633 0.000 1.232 409 D CA -0.843 52.991 54.000 -0.277 0.000 0.819 409 D CB 1.546 42.299 40.800 -0.079 0.000 1.401 409 D HN -0.237 nan 8.370 nan 0.000 0.429 410 V N 0.879 120.190 119.914 -1.005 0.000 2.392 410 V HA -0.219 3.899 4.120 -0.004 0.000 0.249 410 V C 2.614 178.579 176.094 -0.215 0.000 1.059 410 V CA 2.758 64.649 62.300 -0.681 0.000 1.051 410 V CB -1.098 30.420 31.823 -0.508 0.000 0.658 410 V HN 0.790 nan 8.190 nan 0.000 0.455 411 A N 0.005 122.754 122.820 -0.118 0.000 1.908 411 A HA -0.159 4.159 4.320 -0.004 0.000 0.218 411 A C 2.428 180.047 177.584 0.059 0.000 1.181 411 A CA 2.230 54.275 52.037 0.014 0.000 0.627 411 A CB -0.775 18.247 19.000 0.038 0.000 0.818 411 A HN 0.592 nan 8.150 nan 0.000 0.445 412 A N -0.408 122.445 122.820 0.056 0.000 1.930 412 A HA 0.232 4.550 4.320 -0.004 0.000 0.217 412 A C 2.475 180.158 177.584 0.165 0.000 1.175 412 A CA 1.896 53.999 52.037 0.109 0.000 0.627 412 A CB -0.896 18.176 19.000 0.120 0.000 0.815 412 A HN 1.004 nan 8.150 nan 0.000 0.443 413 A N 0.004 122.931 122.820 0.178 0.000 1.873 413 A HA 0.187 4.505 4.320 -0.004 0.000 0.215 413 A C 2.501 180.273 177.584 0.314 0.000 1.186 413 A CA 1.973 54.173 52.037 0.272 0.000 0.616 413 A CB -1.048 18.074 19.000 0.203 0.000 0.823 413 A HN 1.050 nan 8.150 nan 0.000 0.442 414 A N -0.485 122.444 122.820 0.181 0.000 1.972 414 A HA -0.166 4.151 4.320 -0.004 0.000 0.219 414 A C 2.082 179.827 177.584 0.268 0.000 1.169 414 A CA 1.941 54.108 52.037 0.216 0.000 0.635 414 A CB -0.437 18.670 19.000 0.178 0.000 0.810 414 A HN 0.527 nan 8.150 nan 0.000 0.446 415 K N -0.949 119.576 120.400 0.208 0.000 2.209 415 K HA -0.040 4.278 4.320 -0.004 0.000 0.204 415 K C 1.857 178.546 176.600 0.148 0.000 1.048 415 K CA 1.311 57.695 56.287 0.162 0.000 0.940 415 K CB -0.232 32.340 32.500 0.119 0.000 0.729 415 K HN 0.547 nan 8.250 nan 0.000 0.451 416 M N 0.181 119.891 119.600 0.182 0.000 2.358 416 M HA -0.123 4.355 4.480 -0.004 0.000 0.264 416 M C 0.718 177.057 176.300 0.064 0.000 1.064 416 M CA 1.302 56.671 55.300 0.114 0.000 1.093 416 M CB 0.317 32.999 32.600 0.137 0.000 1.401 416 M HN -0.150 nan 8.290 nan 0.000 0.440 417 K N 0.473 120.960 120.400 0.145 0.000 2.726 417 K HA 0.153 4.470 4.320 -0.004 0.000 0.209 417 K C -0.071 176.619 176.600 0.150 0.000 1.082 417 K CA 0.047 56.404 56.287 0.117 0.000 1.081 417 K CB 0.649 33.250 32.500 0.169 0.000 0.830 417 K HN 0.198 nan 8.250 nan 0.000 0.470 418 Q N -0.781 119.095 119.800 0.127 0.000 2.461 418 Q HA -0.269 4.068 4.340 -0.004 0.000 0.273 418 Q C -0.635 175.449 176.000 0.140 0.000 1.163 418 Q CA 0.986 56.852 55.803 0.104 0.000 0.929 418 Q CB -2.821 25.954 28.738 0.062 0.000 1.334 418 Q HN 0.465 nan 8.270 nan 0.000 0.499 419 Y N 0.186 120.527 120.300 0.069 0.000 2.342 419 Y HA 0.355 4.905 4.550 0.001 0.000 0.338 419 Y C 0.780 176.714 175.900 0.056 0.000 0.965 419 Y CA -0.465 57.675 58.100 0.067 0.000 1.159 419 Y CB 0.897 39.411 38.460 0.090 0.000 1.157 419 Y HN 0.026 nan 8.280 nan 0.000 0.486 420 E N 3.435 123.562 120.200 -0.121 0.000 2.714 420 E HA 0.272 4.619 4.350 -0.004 0.000 0.219 420 E C 0.344 176.891 176.600 -0.088 0.000 0.979 420 E CA -0.091 56.293 56.400 -0.025 0.000 1.092 420 E CB 0.700 30.389 29.700 -0.018 0.000 1.049 420 E HN 0.666 nan 8.360 nan 0.000 0.487 421 A N 1.351 123.996 122.820 -0.293 0.000 2.728 421 A HA 0.278 4.595 4.320 -0.004 0.000 0.258 421 A C -0.035 177.594 177.584 0.074 0.000 1.454 421 A CA 0.116 52.059 52.037 -0.157 0.000 1.146 421 A CB -0.071 18.746 19.000 -0.304 0.000 0.985 421 A HN 0.102 nan 8.150 nan 0.000 0.603 422 V N -0.424 119.557 119.914 0.112 0.000 3.000 422 V HA 0.481 4.598 4.120 -0.004 0.000 0.300 422 V C -1.038 175.118 176.094 0.103 0.000 1.251 422 V CA -1.031 61.343 62.300 0.123 0.000 0.972 422 V CB 2.047 33.959 31.823 0.147 0.000 1.065 422 V HN 0.661 nan 8.190 nan 0.000 0.431 423 R N 4.988 125.568 120.500 0.134 0.000 2.500 423 R HA 0.573 4.911 4.340 -0.004 0.000 0.277 423 R C -2.626 173.749 176.300 0.124 0.000 1.026 423 R CA -1.760 54.397 56.100 0.095 0.000 1.058 423 R CB 1.110 31.425 30.300 0.025 0.000 1.078 423 R HN 0.488 nan 8.270 nan 0.000 0.509 424 P HA -0.002 nan 4.420 nan 0.000 0.271 424 P C -0.249 177.055 177.300 0.006 0.000 1.216 424 P CA -0.094 63.031 63.100 0.041 0.000 0.771 424 P CB 0.612 32.326 31.700 0.023 0.000 0.864 425 D N 2.038 122.481 120.400 0.072 0.000 2.172 425 D HA -0.230 4.407 4.640 -0.004 0.000 0.196 425 D C 1.506 177.807 176.300 0.002 0.000 0.999 425 D CA 1.476 55.523 54.000 0.079 0.000 0.856 425 D CB -0.074 40.899 40.800 0.288 0.000 0.934 425 D HN 0.617 nan 8.370 nan 0.000 0.453 426 E N 0.359 120.582 120.200 0.037 0.000 2.153 426 E HA -0.145 4.202 4.350 -0.004 0.000 0.194 426 E C 1.877 178.454 176.600 -0.039 0.000 0.988 426 E CA 0.970 57.388 56.400 0.031 0.000 0.811 426 E CB 0.044 29.766 29.700 0.036 0.000 0.746 426 E HN 0.197 nan 8.360 nan 0.000 0.466 427 A N 0.019 122.785 122.820 -0.090 0.000 2.067 427 A HA -0.022 4.296 4.320 -0.004 0.000 0.217 427 A C 2.132 179.592 177.584 -0.207 0.000 1.156 427 A CA 0.764 52.733 52.037 -0.114 0.000 0.683 427 A CB 0.075 19.018 19.000 -0.093 0.000 0.808 427 A HN 0.201 nan 8.150 nan 0.000 0.455 428 V N -1.957 117.729 119.914 -0.380 0.000 2.374 428 V HA -0.102 4.015 4.120 -0.004 0.000 0.241 428 V C 2.070 177.874 176.094 -0.484 0.000 1.034 428 V CA 1.324 63.262 62.300 -0.604 0.000 1.037 428 V CB -0.903 30.169 31.823 -1.252 0.000 0.682 428 V HN 0.613 nan 8.190 nan 0.000 0.463 429 Y N 1.002 121.225 120.300 -0.129 0.000 2.517 429 Y HA 0.488 5.037 4.550 -0.002 0.000 0.281 429 Y C 1.600 177.474 175.900 -0.043 0.000 1.125 429 Y CA 0.251 58.311 58.100 -0.067 0.000 1.283 429 Y CB -0.707 37.729 38.460 -0.040 0.000 1.042 429 Y HN 0.358 nan 8.280 nan 0.000 0.547 430 G N 0.824 109.663 108.800 0.065 0.000 2.750 430 G HA2 -0.247 3.711 3.960 -0.004 0.000 0.228 430 G HA3 -0.247 3.711 3.960 -0.004 0.000 0.228 430 G C -0.600 174.340 174.900 0.066 0.000 1.367 430 G CA -0.097 45.028 45.100 0.042 0.000 0.871 430 G HN 0.312 nan 8.290 nan 0.000 0.560 431 K N -0.697 119.729 120.400 0.043 0.000 2.536 431 K HA 0.618 4.936 4.320 -0.004 0.000 0.269 431 K C 0.812 177.427 176.600 0.026 0.000 0.965 431 K CA 0.572 56.883 56.287 0.039 0.000 0.860 431 K CB 1.430 33.953 32.500 0.037 0.000 1.423 431 K HN 2.711 nan 8.250 nan 0.000 0.438 432 G N 1.012 109.824 108.800 0.020 0.000 2.512 432 G HA2 -0.334 3.624 3.960 -0.004 0.000 0.254 432 G HA3 -0.334 3.624 3.960 -0.004 0.000 0.254 432 G C 0.634 175.540 174.900 0.010 0.000 1.199 432 G CA 0.270 45.377 45.100 0.013 0.000 0.941 432 G HN 0.904 nan 8.290 nan 0.000 0.569 433 A N -0.251 122.573 122.820 0.008 0.000 2.209 433 A HA 0.264 4.582 4.320 -0.004 0.000 0.212 433 A C 1.970 179.560 177.584 0.009 0.000 1.158 433 A CA 2.160 54.201 52.037 0.006 0.000 0.742 433 A CB -0.269 18.734 19.000 0.004 0.000 0.790 433 A HN 0.578 nan 8.150 nan 0.000 0.472 434 K N -0.729 119.679 120.400 0.013 0.000 2.355 434 K HA 0.101 4.418 4.320 -0.004 0.000 0.198 434 K C 0.855 177.471 176.600 0.026 0.000 1.039 434 K CA -0.421 55.875 56.287 0.016 0.000 1.075 434 K CB 0.373 32.880 32.500 0.013 0.000 0.870 434 K HN 0.332 nan 8.250 nan 0.000 0.540 435 R N 1.854 122.372 120.500 0.030 0.000 2.585 435 R HA 0.171 4.508 4.340 -0.004 0.000 0.275 435 R C -1.014 175.315 176.300 0.049 0.000 1.018 435 R CA 0.575 56.705 56.100 0.049 0.000 1.072 435 R CB 0.413 30.734 30.300 0.034 0.000 0.953 435 R HN 0.110 nan 8.270 nan 0.000 0.419 436 A N 3.396 126.268 122.820 0.087 0.000 2.590 436 A HA 0.298 4.615 4.320 -0.004 0.000 0.294 436 A C -1.364 176.316 177.584 0.159 0.000 1.046 436 A CA -0.758 51.328 52.037 0.080 0.000 0.684 436 A CB 1.365 20.397 19.000 0.054 0.000 1.279 436 A HN 0.428 nan 8.150 nan 0.000 0.415 437 V N 3.819 123.809 119.914 0.128 0.000 2.455 437 V HA 0.396 4.514 4.120 -0.004 0.000 0.273 437 V C -1.316 174.859 176.094 0.135 0.000 1.045 437 V CA -0.603 61.813 62.300 0.193 0.000 0.976 437 V CB 0.512 32.405 31.823 0.117 0.000 0.993 437 V HN 0.864 nan 8.190 nan 0.000 0.475 438 P HA 0.223 nan 4.420 nan 0.000 0.275 438 P C -0.506 176.816 177.300 0.037 0.000 1.266 438 P CA -0.609 62.515 63.100 0.041 0.000 0.793 438 P CB 0.711 32.396 31.700 -0.024 0.000 1.074 439 D N 0.132 120.539 120.400 0.012 0.000 2.400 439 D HA -0.055 4.582 4.640 -0.004 0.000 0.238 439 D C 1.349 177.644 176.300 -0.008 0.000 1.157 439 D CA 0.121 54.127 54.000 0.009 0.000 0.889 439 D CB 0.635 41.435 40.800 -0.000 0.000 1.199 439 D HN 0.533 nan 8.370 nan 0.000 0.436 440 E N 1.624 121.822 120.200 -0.004 0.000 2.136 440 E HA -0.233 4.115 4.350 -0.004 0.000 0.208 440 E C -0.989 175.530 176.600 -0.135 0.000 1.035 440 E CA 1.646 58.013 56.400 -0.054 0.000 0.838 440 E CB -0.403 29.293 29.700 -0.006 0.000 0.748 440 E HN 0.277 nan 8.360 nan 0.000 0.459 441 P HA -0.185 nan 4.420 nan 0.000 0.213 441 P C 1.532 178.802 177.300 -0.050 0.000 1.170 441 P CA 1.436 64.510 63.100 -0.043 0.000 0.902 441 P CB -0.003 31.686 31.700 -0.019 0.000 0.789 442 V N -0.821 119.061 119.914 -0.053 0.000 2.427 442 V HA -0.198 3.919 4.120 -0.004 0.000 0.248 442 V C 2.404 178.448 176.094 -0.083 0.000 1.051 442 V CA 1.489 63.753 62.300 -0.061 0.000 1.048 442 V CB -1.198 30.585 31.823 -0.067 0.000 0.666 442 V HN 0.047 nan 8.190 nan 0.000 0.456 443 L N 1.018 122.190 121.223 -0.086 0.000 2.017 443 L HA -0.061 4.276 4.340 -0.004 0.000 0.208 443 L C 2.476 179.248 176.870 -0.162 0.000 1.073 443 L CA 2.423 57.238 54.840 -0.041 0.000 0.745 443 L CB -0.955 41.127 42.059 0.039 0.000 0.894 443 L HN 0.201 nan 8.230 nan 0.000 0.432 444 A N -0.837 121.685 122.820 -0.496 0.000 1.908 444 A HA -0.290 4.027 4.320 -0.004 0.000 0.218 444 A C 2.348 179.507 177.584 -0.707 0.000 1.181 444 A CA 1.975 53.430 52.037 -0.970 0.000 0.627 444 A CB -0.782 17.471 19.000 -1.245 0.000 0.818 444 A HN 0.660 nan 8.150 nan 0.000 0.445 445 E N -1.413 118.547 120.200 -0.399 0.000 2.072 445 E HA -0.257 4.091 4.350 -0.004 0.000 0.191 445 E C 1.900 178.393 176.600 -0.179 0.000 0.985 445 E CA 1.202 57.423 56.400 -0.298 0.000 0.801 445 E CB -0.230 29.482 29.700 0.020 0.000 0.750 445 E HN 0.793 nan 8.360 nan 0.000 0.452 446 H N 0.566 119.525 119.070 -0.185 0.000 2.353 446 H HA -0.063 4.490 4.556 -0.005 0.000 0.300 446 H C 1.970 177.245 175.328 -0.088 0.000 1.090 446 H CA 1.774 57.744 56.048 -0.131 0.000 1.327 446 H CB -0.147 29.517 29.762 -0.163 0.000 1.383 446 H HN 0.144 nan 8.280 nan 0.000 0.508 447 L N -0.774 120.367 121.223 -0.136 0.000 2.056 447 L HA -0.117 4.220 4.340 -0.004 0.000 0.207 447 L C 2.487 179.276 176.870 -0.136 0.000 1.078 447 L CA 0.971 55.748 54.840 -0.105 0.000 0.749 447 L CB -0.487 41.640 42.059 0.113 0.000 0.901 447 L HN 0.205 nan 8.230 nan 0.000 0.433 448 V N -0.004 119.781 119.914 -0.214 0.000 2.343 448 V HA -0.249 3.868 4.120 -0.004 0.000 0.247 448 V C 2.640 178.658 176.094 -0.128 0.000 1.051 448 V CA 1.630 63.802 62.300 -0.213 0.000 1.036 448 V CB -0.588 30.951 31.823 -0.474 0.000 0.654 448 V HN 0.400 nan 8.190 nan 0.000 0.451 449 R N -0.157 120.261 120.500 -0.135 0.000 2.096 449 R HA -0.124 4.213 4.340 -0.004 0.000 0.235 449 R C 2.416 178.681 176.300 -0.058 0.000 1.127 449 R CA 1.250 57.321 56.100 -0.048 0.000 0.968 449 R CB -0.217 30.068 30.300 -0.025 0.000 0.861 449 R HN 0.502 nan 8.270 nan 0.000 0.440 450 K N 0.032 120.328 120.400 -0.174 0.000 2.057 450 K HA -0.043 4.275 4.320 -0.004 0.000 0.206 450 K C 2.152 178.716 176.600 -0.061 0.000 1.050 450 K CA 1.218 57.405 56.287 -0.167 0.000 0.935 450 K CB -0.102 32.235 32.500 -0.272 0.000 0.715 450 K HN 0.117 nan 8.250 nan 0.000 0.439 451 A N 1.785 124.588 122.820 -0.029 0.000 1.902 451 A HA -0.131 4.187 4.320 -0.004 0.000 0.217 451 A C 2.413 180.048 177.584 0.085 0.000 1.181 451 A CA 1.929 53.992 52.037 0.043 0.000 0.623 451 A CB -0.661 18.359 19.000 0.034 0.000 0.818 451 A HN 0.331 nan 8.150 nan 0.000 0.443 452 A N -0.225 122.629 122.820 0.057 0.000 1.933 452 A HA 0.162 4.479 4.320 -0.004 0.000 0.218 452 A C 2.489 180.143 177.584 0.117 0.000 1.175 452 A CA 2.085 54.194 52.037 0.121 0.000 0.628 452 A CB -0.956 18.114 19.000 0.117 0.000 0.814 452 A HN 1.032 nan 8.150 nan 0.000 0.444 453 A N 0.041 122.853 122.820 -0.013 0.000 1.877 453 A HA -0.079 4.238 4.320 -0.004 0.000 0.216 453 A C 2.112 179.574 177.584 -0.205 0.000 1.186 453 A CA 1.524 53.370 52.037 -0.318 0.000 0.620 453 A CB -0.627 18.217 19.000 -0.261 0.000 0.822 453 A HN 0.484 nan 8.150 nan 0.000 0.443 454 I N -1.668 118.887 120.570 -0.026 0.000 2.208 454 I HA -0.293 3.874 4.170 -0.004 0.000 0.245 454 I C 2.520 178.706 176.117 0.115 0.000 1.097 454 I CA 1.424 62.766 61.300 0.070 0.000 1.363 454 I CB -0.338 37.759 38.000 0.161 0.000 1.051 454 I HN 0.711 nan 8.210 nan 0.000 0.413 455 W N 2.174 123.451 121.300 -0.038 0.000 2.335 455 W HA -0.297 4.358 4.660 -0.009 0.000 0.311 455 W C 2.436 178.918 176.519 -0.062 0.000 1.213 455 W CA 2.185 59.513 57.345 -0.028 0.000 1.274 455 W CB -0.025 29.437 29.460 0.002 0.000 1.148 455 W HN 0.188 nan 8.180 nan 0.000 0.498 456 E N 0.577 120.781 120.200 0.006 0.000 2.072 456 E HA -0.171 4.177 4.350 -0.004 0.000 0.190 456 E C 2.237 178.751 176.600 -0.144 0.000 0.982 456 E CA 1.638 57.981 56.400 -0.094 0.000 0.803 456 E CB -0.900 28.792 29.700 -0.013 0.000 0.755 456 E HN 0.324 nan 8.360 nan 0.000 0.453 457 L N 0.542 121.673 121.223 -0.154 0.000 2.395 457 L HA 0.025 4.362 4.340 -0.004 0.000 0.218 457 L C 2.487 179.330 176.870 -0.046 0.000 1.130 457 L CA 0.776 55.593 54.840 -0.040 0.000 0.826 457 L CB -0.402 41.613 42.059 -0.074 0.000 0.941 457 L HN 0.281 nan 8.230 nan 0.000 0.451 458 E N 0.951 120.976 120.200 -0.292 0.000 2.048 458 E HA -0.336 4.011 4.350 -0.004 0.000 0.202 458 E C 2.257 178.559 176.600 -0.497 0.000 1.021 458 E CA 1.804 57.750 56.400 -0.758 0.000 0.825 458 E CB 0.088 29.271 29.700 -0.861 0.000 0.756 458 E HN 0.213 nan 8.360 nan 0.000 0.454 459 R N 0.304 120.610 120.500 -0.324 0.000 2.080 459 R HA -0.114 4.224 4.340 -0.004 0.000 0.236 459 R C -0.856 175.395 176.300 -0.083 0.000 1.137 459 R CA 2.176 58.154 56.100 -0.203 0.000 0.943 459 R CB -1.257 28.934 30.300 -0.181 0.000 0.846 459 R HN 0.231 nan 8.270 nan 0.000 0.431 460 P HA -0.106 nan 4.420 nan 0.000 0.215 460 P C 0.835 178.148 177.300 0.022 0.000 1.153 460 P CA 1.330 64.440 63.100 0.016 0.000 0.853 460 P CB -0.103 31.633 31.700 0.059 0.000 0.788 461 F N -1.169 118.769 119.950 -0.019 0.000 2.146 461 F HA -0.081 4.443 4.527 -0.006 0.000 0.298 461 F C 2.253 178.092 175.800 0.065 0.000 1.096 461 F CA 1.199 59.244 58.000 0.075 0.000 1.275 461 F CB -1.155 37.991 39.000 0.244 0.000 1.008 461 F HN -0.200 nan 8.300 nan 0.000 0.480 462 L N -0.596 120.717 121.223 0.150 0.000 2.093 462 L HA -0.206 4.131 4.340 -0.004 0.000 0.208 462 L C 2.067 178.953 176.870 0.026 0.000 1.085 462 L CA 1.080 55.968 54.840 0.079 0.000 0.755 462 L CB -0.603 41.430 42.059 -0.044 0.000 0.904 462 L HN 0.044 nan 8.230 nan 0.000 0.435 463 D N -0.103 120.291 120.400 -0.010 0.000 2.097 463 D HA -0.228 4.410 4.640 -0.004 0.000 0.195 463 D C 2.040 178.322 176.300 -0.031 0.000 0.989 463 D CA 1.208 55.191 54.000 -0.027 0.000 0.827 463 D CB 0.005 40.781 40.800 -0.040 0.000 0.966 463 D HN 0.330 nan 8.370 nan 0.000 0.456 464 E N 0.128 120.299 120.200 -0.048 0.000 2.106 464 E HA -0.109 4.238 4.350 -0.004 0.000 0.192 464 E C 2.365 178.941 176.600 -0.039 0.000 0.984 464 E CA 0.293 56.653 56.400 -0.068 0.000 0.806 464 E CB -0.022 29.596 29.700 -0.136 0.000 0.750 464 E HN 0.213 nan 8.360 nan 0.000 0.458 465 L N 0.368 121.592 121.223 0.001 0.000 2.042 465 L HA -0.210 4.127 4.340 -0.004 0.000 0.210 465 L C 2.716 179.584 176.870 -0.003 0.000 1.076 465 L CA 1.269 56.123 54.840 0.022 0.000 0.749 465 L CB -0.342 41.770 42.059 0.088 0.000 0.893 465 L HN 0.093 nan 8.230 nan 0.000 0.432 466 R N -0.326 120.172 120.500 -0.004 0.000 2.081 466 R HA -0.140 4.198 4.340 -0.004 0.000 0.235 466 R C 2.408 178.686 176.300 -0.036 0.000 1.131 466 R CA 1.195 57.283 56.100 -0.018 0.000 0.960 466 R CB -0.347 29.943 30.300 -0.016 0.000 0.856 466 R HN 0.379 nan 8.270 nan 0.000 0.436 467 R N 0.457 120.935 120.500 -0.036 0.000 2.096 467 R HA -0.059 4.279 4.340 -0.004 0.000 0.235 467 R C 1.540 177.809 176.300 -0.052 0.000 1.127 467 R CA 1.206 57.283 56.100 -0.039 0.000 0.968 467 R CB -0.262 30.017 30.300 -0.035 0.000 0.861 467 R HN 0.190 nan 8.270 nan 0.000 0.440 468 N N 0.875 119.537 118.700 -0.063 0.000 2.521 468 N HA -0.065 4.672 4.740 -0.004 0.000 0.188 468 N C -0.455 174.990 175.510 -0.109 0.000 1.146 468 N CA 0.477 53.473 53.050 -0.090 0.000 0.893 468 N CB 0.094 38.523 38.487 -0.097 0.000 0.975 468 N HN 0.200 nan 8.380 nan 0.000 0.451 469 E N -0.829 119.305 120.200 -0.111 0.000 2.513 469 E HA -0.272 4.075 4.350 -0.004 0.000 0.257 469 E C -0.244 176.277 176.600 -0.130 0.000 1.098 469 E CA 0.281 56.575 56.400 -0.177 0.000 0.752 469 E CB -1.449 28.034 29.700 -0.361 0.000 1.324 469 E HN 0.554 nan 8.360 nan 0.000 0.403 470 Q N -0.538 119.237 119.800 -0.040 0.000 2.194 470 Q HA -0.011 4.327 4.340 -0.004 0.000 0.214 470 Q C 1.396 177.420 176.000 0.041 0.000 0.838 470 Q CA 0.282 56.098 55.803 0.021 0.000 0.972 470 Q CB 0.469 29.216 28.738 0.015 0.000 1.131 470 Q HN 0.377 nan 8.270 nan 0.000 0.498 471 D N 1.219 121.637 120.400 0.029 0.000 2.097 471 D HA -0.223 4.415 4.640 -0.004 0.000 0.195 471 D C 1.522 177.852 176.300 0.051 0.000 0.989 471 D CA 1.069 55.096 54.000 0.046 0.000 0.827 471 D CB -0.112 40.705 40.800 0.029 0.000 0.966 471 D HN 0.156 nan 8.370 nan 0.000 0.456 472 R N -0.279 120.249 120.500 0.047 0.000 2.115 472 R HA 0.016 4.353 4.340 -0.004 0.000 0.230 472 R C 2.444 178.776 176.300 0.054 0.000 1.111 472 R CA 0.381 56.510 56.100 0.049 0.000 0.976 472 R CB -0.361 29.971 30.300 0.054 0.000 0.870 472 R HN 0.146 nan 8.270 nan 0.000 0.445 473 L N 0.954 122.218 121.223 0.068 0.000 2.079 473 L HA -0.141 4.197 4.340 -0.004 0.000 0.210 473 L C 1.890 178.789 176.870 0.048 0.000 1.081 473 L CA 1.547 56.424 54.840 0.062 0.000 0.752 473 L CB -0.438 41.665 42.059 0.074 0.000 0.896 473 L HN 0.148 nan 8.230 nan 0.000 0.433 474 L N -1.600 119.655 121.223 0.053 0.000 2.034 474 L HA -0.059 4.278 4.340 -0.004 0.000 0.203 474 L C 2.254 179.141 176.870 0.030 0.000 1.074 474 L CA 1.673 56.540 54.840 0.045 0.000 0.748 474 L CB -0.564 41.537 42.059 0.069 0.000 0.905 474 L HN 0.040 nan 8.230 nan 0.000 0.439 475 V N -0.485 119.454 119.914 0.042 0.000 2.667 475 V HA -0.163 3.954 4.120 -0.004 0.000 0.252 475 V C 2.087 178.191 176.094 0.016 0.000 1.065 475 V CA 1.870 64.189 62.300 0.032 0.000 1.083 475 V CB -0.579 31.270 31.823 0.042 0.000 0.692 475 V HN 0.509 nan 8.190 nan 0.000 0.468 476 E N -1.302 118.908 120.200 0.018 0.000 2.447 476 E HA 0.152 4.499 4.350 -0.004 0.000 0.204 476 E C 1.506 178.109 176.600 0.005 0.000 0.977 476 E CA 0.050 56.456 56.400 0.010 0.000 0.950 476 E CB 0.721 30.429 29.700 0.014 0.000 0.975 476 E HN 0.417 nan 8.360 nan 0.000 0.496 477 L N 0.312 121.541 121.223 0.010 0.000 2.783 477 L HA 0.125 4.463 4.340 -0.004 0.000 0.174 477 L C 1.789 178.660 176.870 0.002 0.000 1.235 477 L CA 0.661 55.505 54.840 0.006 0.000 0.862 477 L CB 0.159 42.225 42.059 0.013 0.000 1.249 477 L HN -0.200 nan 8.230 nan 0.000 0.518 478 E N 0.133 120.340 120.200 0.011 0.000 2.058 478 E HA -0.266 4.082 4.350 -0.004 0.000 0.194 478 E C 2.034 178.619 176.600 -0.025 0.000 0.997 478 E CA 1.697 58.100 56.400 0.005 0.000 0.801 478 E CB -0.318 29.400 29.700 0.031 0.000 0.746 478 E HN 0.607 nan 8.360 nan 0.000 0.450 479 Q N -0.284 119.497 119.800 -0.032 0.000 2.046 479 Q HA -0.093 4.245 4.340 -0.004 0.000 0.200 479 Q C -0.513 175.460 176.000 -0.045 0.000 0.975 479 Q CA 1.412 57.183 55.803 -0.053 0.000 0.836 479 Q CB -0.854 27.853 28.738 -0.052 0.000 0.896 479 Q HN 0.228 nan 8.270 nan 0.000 0.428 480 P HA -0.162 nan 4.420 nan 0.000 0.217 480 P C 1.237 178.518 177.300 -0.033 0.000 1.150 480 P CA 0.866 63.947 63.100 -0.032 0.000 0.832 480 P CB 0.009 31.695 31.700 -0.023 0.000 0.787 481 L N -0.576 120.629 121.223 -0.030 0.000 2.131 481 L HA -0.114 4.223 4.340 -0.004 0.000 0.210 481 L C 2.379 179.228 176.870 -0.036 0.000 1.092 481 L CA 1.842 56.661 54.840 -0.034 0.000 0.759 481 L CB -1.531 40.509 42.059 -0.033 0.000 0.903 481 L HN -0.092 nan 8.230 nan 0.000 0.435 482 S N -1.356 114.320 115.700 -0.041 0.000 2.370 482 S HA -0.217 4.251 4.470 -0.004 0.000 0.226 482 S C 2.107 176.689 174.600 -0.030 0.000 1.033 482 S CA 1.806 59.980 58.200 -0.042 0.000 1.011 482 S CB -0.374 62.784 63.200 -0.071 0.000 0.852 482 S HN 0.666 nan 8.310 nan 0.000 0.457 483 S N 1.005 116.682 115.700 -0.040 0.000 2.402 483 S HA 0.083 4.551 4.470 -0.004 0.000 0.229 483 S C 1.730 176.322 174.600 -0.014 0.000 1.021 483 S CA 1.237 59.415 58.200 -0.038 0.000 0.974 483 S CB -0.360 62.810 63.200 -0.049 0.000 0.800 483 S HN 0.540 nan 8.310 nan 0.000 0.484 484 I N 1.257 121.819 120.570 -0.013 0.000 2.286 484 I HA -0.130 4.038 4.170 -0.004 0.000 0.245 484 I C 1.953 178.086 176.117 0.026 0.000 1.104 484 I CA 0.989 62.288 61.300 -0.002 0.000 1.397 484 I CB -0.350 37.638 38.000 -0.020 0.000 1.072 484 I HN 0.231 nan 8.210 nan 0.000 0.417 485 L N 0.610 121.848 121.223 0.024 0.000 2.131 485 L HA -0.189 4.148 4.340 -0.004 0.000 0.210 485 L C 2.859 179.853 176.870 0.207 0.000 1.092 485 L CA 1.180 56.076 54.840 0.094 0.000 0.759 485 L CB -0.715 41.394 42.059 0.084 0.000 0.903 485 L HN 0.245 nan 8.230 nan 0.000 0.435 486 A N 0.198 123.098 122.820 0.133 0.000 1.902 486 A HA -0.209 4.108 4.320 -0.004 0.000 0.217 486 A C 2.158 179.854 177.584 0.186 0.000 1.181 486 A CA 1.603 53.727 52.037 0.146 0.000 0.623 486 A CB -0.374 18.642 19.000 0.027 0.000 0.818 486 A HN 0.469 nan 8.150 nan 0.000 0.443 487 E N -0.607 119.666 120.200 0.121 0.000 2.106 487 E HA -0.163 4.185 4.350 -0.004 0.000 0.192 487 E C 2.067 178.763 176.600 0.161 0.000 0.984 487 E CA 1.369 57.846 56.400 0.127 0.000 0.806 487 E CB -0.299 29.430 29.700 0.050 0.000 0.750 487 E HN 0.672 nan 8.360 nan 0.000 0.458 488 M N 0.727 120.430 119.600 0.172 0.000 2.099 488 M HA -0.169 4.309 4.480 -0.004 0.000 0.262 488 M C 2.090 178.549 176.300 0.266 0.000 1.067 488 M CA 1.568 56.985 55.300 0.195 0.000 1.124 488 M CB -0.184 32.559 32.600 0.237 0.000 1.353 488 M HN 0.040 nan 8.290 nan 0.000 0.410 489 E N -0.038 120.396 120.200 0.390 0.000 2.051 489 E HA -0.211 4.137 4.350 -0.004 0.000 0.192 489 E C 1.844 178.774 176.600 0.551 0.000 0.991 489 E CA 1.368 58.049 56.400 0.468 0.000 0.799 489 E CB -0.350 29.720 29.700 0.618 0.000 0.748 489 E HN 0.378 nan 8.360 nan 0.000 0.449 490 F N 1.696 121.859 119.950 0.355 0.000 2.126 490 F HA -0.186 4.339 4.527 -0.004 0.000 0.299 490 F C 2.206 178.054 175.800 0.079 0.000 1.096 490 F CA 1.370 59.472 58.000 0.170 0.000 1.255 490 F CB -0.395 38.576 39.000 -0.048 0.000 0.997 490 F HN -0.052 nan 8.300 nan 0.000 0.479 491 A N 0.222 123.012 122.820 -0.050 0.000 1.933 491 A HA 0.265 4.582 4.320 -0.004 0.000 0.218 491 A C 1.697 179.138 177.584 -0.239 0.000 1.175 491 A CA 1.256 53.151 52.037 -0.237 0.000 0.628 491 A CB -1.561 17.296 19.000 -0.238 0.000 0.814 491 A HN 1.025 nan 8.150 nan 0.000 0.444 492 G N -2.399 106.278 108.800 -0.204 0.000 2.888 492 G HA2 0.007 3.964 3.960 -0.004 0.000 0.441 492 G HA3 0.007 3.964 3.960 -0.004 0.000 0.441 492 G C -0.462 174.277 174.900 -0.268 0.000 1.461 492 G CA -0.286 44.513 45.100 -0.501 0.000 0.897 492 G HN 1.148 nan 8.290 nan 0.000 0.547 493 V N 0.596 120.370 119.914 -0.233 0.000 2.540 493 V HA 0.596 4.714 4.120 -0.004 0.000 0.302 493 V C 0.432 176.475 176.094 -0.086 0.000 1.035 493 V CA -0.785 61.471 62.300 -0.073 0.000 0.873 493 V CB 1.793 33.649 31.823 0.055 0.000 0.992 493 V HN 0.990 nan 8.190 nan 0.000 0.428 494 K N 3.150 123.516 120.400 -0.058 0.000 2.350 494 K HA 0.477 4.794 4.320 -0.004 0.000 0.279 494 K C -0.910 175.632 176.600 -0.097 0.000 1.027 494 K CA 0.099 56.338 56.287 -0.079 0.000 0.969 494 K CB 0.972 33.434 32.500 -0.062 0.000 0.954 494 K HN 0.474 nan 8.250 nan 0.000 0.474 495 V N 3.815 123.635 119.914 -0.157 0.000 2.555 495 V HA 0.171 4.288 4.120 -0.004 0.000 0.302 495 V C -0.602 175.397 176.094 -0.159 0.000 1.038 495 V CA -0.905 61.242 62.300 -0.255 0.000 0.887 495 V CB 1.695 33.318 31.823 -0.333 0.000 0.991 495 V HN 0.797 nan 8.190 nan 0.000 0.434 496 D N 3.184 123.499 120.400 -0.142 0.000 2.517 496 D HA 0.082 4.719 4.640 -0.004 0.000 0.220 496 D C 1.546 177.792 176.300 -0.091 0.000 1.158 496 D CA 0.287 54.238 54.000 -0.082 0.000 0.992 496 D CB 1.036 41.810 40.800 -0.044 0.000 1.058 496 D HN 0.759 nan 8.370 nan 0.000 0.516 497 T N 0.602 115.103 114.554 -0.088 0.000 2.759 497 T HA -0.239 4.109 4.350 -0.004 0.000 0.269 497 T C 1.805 176.474 174.700 -0.053 0.000 1.042 497 T CA 1.110 63.165 62.100 -0.076 0.000 1.140 497 T CB -0.054 68.775 68.868 -0.064 0.000 0.864 497 T HN 0.316 nan 8.240 nan 0.000 0.455 498 K N 1.655 122.029 120.400 -0.043 0.000 2.103 498 K HA -0.159 4.158 4.320 -0.004 0.000 0.207 498 K C 2.644 179.226 176.600 -0.030 0.000 1.048 498 K CA 1.522 57.790 56.287 -0.032 0.000 0.930 498 K CB -0.123 32.362 32.500 -0.026 0.000 0.716 498 K HN 0.636 nan 8.250 nan 0.000 0.444 499 R N -0.058 120.422 120.500 -0.033 0.000 2.161 499 R HA -0.026 4.311 4.340 -0.004 0.000 0.213 499 R C 2.068 178.348 176.300 -0.032 0.000 1.055 499 R CA 0.740 56.821 56.100 -0.030 0.000 0.996 499 R CB -0.407 29.876 30.300 -0.029 0.000 0.901 499 R HN 0.094 nan 8.270 nan 0.000 0.456 500 L N 1.640 122.840 121.223 -0.039 0.000 2.217 500 L HA 0.011 4.348 4.340 -0.004 0.000 0.211 500 L C 1.582 178.437 176.870 -0.024 0.000 1.107 500 L CA 1.708 56.528 54.840 -0.033 0.000 0.783 500 L CB -0.126 41.901 42.059 -0.054 0.000 0.919 500 L HN 0.241 nan 8.230 nan 0.000 0.442 501 E N -1.407 118.777 120.200 -0.026 0.000 2.285 501 E HA -0.164 4.183 4.350 -0.004 0.000 0.194 501 E C 1.991 178.579 176.600 -0.019 0.000 0.997 501 E CA 0.538 56.926 56.400 -0.021 0.000 0.845 501 E CB 0.038 29.724 29.700 -0.022 0.000 0.782 501 E HN 0.634 nan 8.360 nan 0.000 0.491 502 Q N 0.083 119.870 119.800 -0.021 0.000 2.123 502 Q HA -0.025 4.312 4.340 -0.004 0.000 0.199 502 Q C 2.121 178.108 176.000 -0.020 0.000 0.966 502 Q CA 1.007 56.798 55.803 -0.020 0.000 0.845 502 Q CB 0.059 28.784 28.738 -0.022 0.000 0.907 502 Q HN 0.311 nan 8.270 nan 0.000 0.439 503 M N -0.398 119.189 119.600 -0.022 0.000 2.175 503 M HA -0.049 4.429 4.480 -0.004 0.000 0.264 503 M C 2.161 178.452 176.300 -0.016 0.000 1.063 503 M CA 1.430 56.718 55.300 -0.021 0.000 1.119 503 M CB -0.360 32.228 32.600 -0.019 0.000 1.377 503 M HN 0.291 nan 8.290 nan 0.000 0.415 504 G N 0.533 109.326 108.800 -0.013 0.000 2.443 504 G HA2 -0.198 3.760 3.960 -0.004 0.000 0.219 504 G HA3 -0.198 3.760 3.960 -0.004 0.000 0.219 504 G C 1.617 176.508 174.900 -0.016 0.000 1.131 504 G CA 0.709 45.802 45.100 -0.013 0.000 0.775 504 G HN 0.422 nan 8.290 nan 0.000 0.547 505 K N 0.475 120.865 120.400 -0.016 0.000 2.044 505 K HA -0.004 4.314 4.320 -0.004 0.000 0.204 505 K C 2.296 178.887 176.600 -0.015 0.000 1.049 505 K CA 1.149 57.428 56.287 -0.014 0.000 0.945 505 K CB -0.122 32.370 32.500 -0.013 0.000 0.724 505 K HN 0.340 nan 8.250 nan 0.000 0.440 506 E N 0.906 121.096 120.200 -0.016 0.000 2.106 506 E HA -0.163 4.185 4.350 -0.004 0.000 0.192 506 E C 2.099 178.686 176.600 -0.021 0.000 0.984 506 E CA 0.758 57.148 56.400 -0.016 0.000 0.806 506 E CB -0.013 29.677 29.700 -0.017 0.000 0.750 506 E HN 0.291 nan 8.360 nan 0.000 0.458 507 L N 0.618 121.826 121.223 -0.026 0.000 2.056 507 L HA -0.149 4.189 4.340 -0.004 0.000 0.207 507 L C 2.451 179.295 176.870 -0.044 0.000 1.078 507 L CA 0.999 55.814 54.840 -0.041 0.000 0.749 507 L CB -0.262 41.773 42.059 -0.040 0.000 0.901 507 L HN 0.135 nan 8.230 nan 0.000 0.433 508 A N -0.611 122.191 122.820 -0.030 0.000 1.940 508 A HA -0.298 4.019 4.320 -0.004 0.000 0.219 508 A C 2.169 179.745 177.584 -0.014 0.000 1.176 508 A CA 2.054 54.077 52.037 -0.022 0.000 0.631 508 A CB -0.519 18.472 19.000 -0.014 0.000 0.814 508 A HN 0.575 nan 8.150 nan 0.000 0.446 509 E N -0.568 119.624 120.200 -0.013 0.000 2.072 509 E HA -0.194 4.154 4.350 -0.004 0.000 0.190 509 E C 2.199 178.794 176.600 -0.008 0.000 0.982 509 E CA 1.049 57.445 56.400 -0.006 0.000 0.803 509 E CB -0.124 29.573 29.700 -0.005 0.000 0.755 509 E HN 0.765 nan 8.360 nan 0.000 0.453 510 Q N 0.244 120.033 119.800 -0.019 0.000 2.079 510 Q HA -0.127 4.211 4.340 -0.004 0.000 0.200 510 Q C 2.448 178.427 176.000 -0.034 0.000 0.974 510 Q CA 1.010 56.799 55.803 -0.024 0.000 0.840 510 Q CB -0.025 28.689 28.738 -0.039 0.000 0.898 510 Q HN 0.353 nan 8.270 nan 0.000 0.430 511 L N 0.050 121.246 121.223 -0.045 0.000 2.042 511 L HA -0.165 4.172 4.340 -0.004 0.000 0.210 511 L C 2.377 179.278 176.870 0.052 0.000 1.076 511 L CA 1.222 56.059 54.840 -0.005 0.000 0.749 511 L CB -0.789 41.246 42.059 -0.041 0.000 0.893 511 L HN 0.370 nan 8.230 nan 0.000 0.432 512 G N -1.263 107.550 108.800 0.022 0.000 2.450 512 G HA2 -0.236 3.722 3.960 -0.004 0.000 0.220 512 G HA3 -0.236 3.722 3.960 -0.004 0.000 0.220 512 G C 1.539 176.435 174.900 -0.006 0.000 1.130 512 G CA 1.295 46.404 45.100 0.016 0.000 0.760 512 G HN 0.296 nan 8.290 nan 0.000 0.557 513 T N 0.637 115.189 114.554 -0.004 0.000 2.698 513 T HA -0.070 4.278 4.350 -0.004 0.000 0.260 513 T C 2.572 177.257 174.700 -0.025 0.000 1.044 513 T CA 1.158 63.255 62.100 -0.006 0.000 1.149 513 T CB -0.319 68.554 68.868 0.009 0.000 0.864 513 T HN 0.042 nan 8.240 nan 0.000 0.419 514 V N 1.754 121.664 119.914 -0.007 0.000 2.490 514 V HA -0.177 3.941 4.120 -0.004 0.000 0.250 514 V C 2.506 178.513 176.094 -0.145 0.000 1.061 514 V CA 1.871 64.166 62.300 -0.008 0.000 1.064 514 V CB -0.638 31.223 31.823 0.062 0.000 0.670 514 V HN 0.568 nan 8.190 nan 0.000 0.461 515 E N -0.120 119.964 120.200 -0.195 0.000 2.017 515 E HA -0.268 4.080 4.350 -0.004 0.000 0.193 515 E C 2.277 178.434 176.600 -0.737 0.000 0.997 515 E CA 1.395 57.461 56.400 -0.558 0.000 0.804 515 E CB -0.102 29.389 29.700 -0.349 0.000 0.757 515 E HN 0.515 nan 8.360 nan 0.000 0.448 516 Q N 0.176 119.775 119.800 -0.335 0.000 2.226 516 Q HA -0.152 4.185 4.340 -0.004 0.000 0.204 516 Q C 2.169 178.098 176.000 -0.119 0.000 0.975 516 Q CA 1.028 56.742 55.803 -0.148 0.000 0.866 516 Q CB -0.297 28.441 28.738 0.000 0.000 0.915 516 Q HN 0.104 nan 8.270 nan 0.000 0.440 517 R N 0.957 121.378 120.500 -0.132 0.000 2.148 517 R HA 0.037 4.375 4.340 -0.004 0.000 0.223 517 R C 1.915 178.171 176.300 -0.075 0.000 1.088 517 R CA 0.880 56.943 56.100 -0.062 0.000 0.985 517 R CB -0.439 29.843 30.300 -0.031 0.000 0.880 517 R HN 0.263 nan 8.270 nan 0.000 0.451 518 I N -0.461 119.981 120.570 -0.213 0.000 2.406 518 I HA -0.205 3.963 4.170 -0.004 0.000 0.249 518 I C 1.267 177.374 176.117 -0.016 0.000 1.122 518 I CA 0.779 61.975 61.300 -0.175 0.000 1.431 518 I CB -0.232 37.542 38.000 -0.377 0.000 1.087 518 I HN 0.100 nan 8.210 nan 0.000 0.424 519 Y N 1.208 121.503 120.300 -0.009 0.000 2.352 519 Y HA -0.145 4.403 4.550 -0.004 0.000 0.292 519 Y C 2.416 178.346 175.900 0.050 0.000 1.136 519 Y CA 0.500 58.625 58.100 0.042 0.000 1.227 519 Y CB -0.837 37.616 38.460 -0.012 0.000 0.991 519 Y HN 0.246 nan 8.280 nan 0.000 0.545 520 E N 0.039 120.334 120.200 0.159 0.000 2.016 520 E HA -0.134 4.214 4.350 -0.004 0.000 0.190 520 E C 2.115 178.778 176.600 0.104 0.000 0.985 520 E CA 0.971 57.436 56.400 0.109 0.000 0.802 520 E CB -0.400 29.342 29.700 0.070 0.000 0.762 520 E HN 0.347 nan 8.360 nan 0.000 0.448 521 L N 0.356 121.641 121.223 0.104 0.000 2.261 521 L HA -0.164 4.173 4.340 -0.004 0.000 0.216 521 L C 2.204 179.132 176.870 0.097 0.000 1.114 521 L CA 0.862 55.786 54.840 0.141 0.000 0.777 521 L CB -0.243 41.916 42.059 0.167 0.000 0.910 521 L HN 0.150 nan 8.230 nan 0.000 0.440 522 A N -0.865 122.005 122.820 0.083 0.000 2.252 522 A HA 0.348 4.666 4.320 -0.004 0.000 0.213 522 A C 1.683 179.290 177.584 0.038 0.000 1.188 522 A CA 0.555 52.604 52.037 0.020 0.000 0.863 522 A CB -0.037 19.009 19.000 0.077 0.000 0.893 522 A HN 0.410 nan 8.150 nan 0.000 0.495 523 G N -0.653 108.196 108.800 0.082 0.000 2.305 523 G HA2 -0.234 3.724 3.960 -0.004 0.000 0.287 523 G HA3 -0.234 3.724 3.960 -0.004 0.000 0.287 523 G C -0.086 174.845 174.900 0.053 0.000 1.036 523 G CA 0.966 46.103 45.100 0.061 0.000 0.887 523 G HN 1.155 nan 8.290 nan 0.000 0.505 524 Q N -1.271 118.589 119.800 0.099 0.000 2.686 524 Q HA 0.318 4.656 4.340 -0.004 0.000 0.266 524 Q C -1.291 174.786 176.000 0.129 0.000 0.965 524 Q CA -0.725 55.120 55.803 0.070 0.000 0.894 524 Q CB 0.866 29.621 28.738 0.029 0.000 1.583 524 Q HN 0.380 nan 8.270 nan 0.000 0.405 525 E N 2.162 122.311 120.200 -0.086 0.000 2.277 525 E HA 0.621 4.969 4.350 -0.004 0.000 0.274 525 E C -0.858 175.724 176.600 -0.031 0.000 1.022 525 E CA -0.267 55.849 56.400 -0.474 0.000 0.853 525 E CB 1.084 30.353 29.700 -0.718 0.000 1.086 525 E HN 0.414 nan 8.360 nan 0.000 0.397 526 F N -0.806 119.003 119.950 -0.234 0.000 2.773 526 F HA 0.305 4.829 4.527 -0.004 0.000 0.314 526 F C -1.037 174.796 175.800 0.055 0.000 1.160 526 F CA -1.400 56.572 58.000 -0.047 0.000 0.920 526 F CB 0.750 39.751 39.000 0.000 0.000 1.323 526 F HN 0.142 nan 8.300 nan 0.000 0.457 527 N N 2.219 120.955 118.700 0.061 0.000 2.448 527 N HA 0.230 4.967 4.740 -0.004 0.000 0.250 527 N C 0.975 176.458 175.510 -0.045 0.000 1.136 527 N CA 0.047 53.086 53.050 -0.018 0.000 0.953 527 N CB 0.326 38.856 38.487 0.072 0.000 1.251 527 N HN 0.792 nan 8.380 nan 0.000 0.502 528 I N 1.802 122.165 120.570 -0.345 0.000 2.335 528 I HA -0.268 3.899 4.170 -0.004 0.000 0.251 528 I C 1.307 177.473 176.117 0.082 0.000 1.129 528 I CA 0.789 61.932 61.300 -0.261 0.000 1.402 528 I CB -0.118 37.521 38.000 -0.602 0.000 1.069 528 I HN 0.398 nan 8.210 nan 0.000 0.424 529 N N 0.461 119.232 118.700 0.118 0.000 2.449 529 N HA -0.016 4.722 4.740 -0.004 0.000 0.191 529 N C 0.527 176.113 175.510 0.127 0.000 1.161 529 N CA 0.311 53.451 53.050 0.149 0.000 0.863 529 N CB 0.243 38.810 38.487 0.134 0.000 0.980 529 N HN 0.093 nan 8.380 nan 0.000 0.458 530 S N 1.399 117.185 115.700 0.143 0.000 2.466 530 S HA 0.327 4.795 4.470 -0.004 0.000 0.313 530 S C -1.753 172.947 174.600 0.166 0.000 1.078 530 S CA -1.674 56.612 58.200 0.142 0.000 1.115 530 S CB 1.107 64.394 63.200 0.146 0.000 1.006 530 S HN -0.088 nan 8.310 nan 0.000 0.487 531 P HA -0.102 nan 4.420 nan 0.000 0.222 531 P C 1.035 178.442 177.300 0.178 0.000 1.142 531 P CA 0.952 64.148 63.100 0.160 0.000 0.788 531 P CB 0.234 32.013 31.700 0.131 0.000 0.767 532 K N -0.644 119.849 120.400 0.154 0.000 2.099 532 K HA -0.038 4.279 4.320 -0.004 0.000 0.203 532 K C 2.133 178.832 176.600 0.165 0.000 1.047 532 K CA 0.877 57.256 56.287 0.153 0.000 0.963 532 K CB -0.034 32.530 32.500 0.106 0.000 0.759 532 K HN 0.090 nan 8.250 nan 0.000 0.451 533 Q N 0.454 120.352 119.800 0.163 0.000 2.119 533 Q HA -0.146 4.192 4.340 -0.004 0.000 0.201 533 Q C 2.063 178.127 176.000 0.107 0.000 0.972 533 Q CA 0.923 56.823 55.803 0.161 0.000 0.847 533 Q CB -0.003 28.889 28.738 0.256 0.000 0.903 533 Q HN 0.175 nan 8.270 nan 0.000 0.433 534 L N 0.448 121.789 121.223 0.196 0.000 2.046 534 L HA -0.042 4.296 4.340 -0.004 0.000 0.208 534 L C 2.103 178.956 176.870 -0.028 0.000 1.077 534 L CA 2.157 57.072 54.840 0.125 0.000 0.747 534 L CB -0.959 41.239 42.059 0.232 0.000 0.896 534 L HN 0.162 nan 8.230 nan 0.000 0.432 535 G N -1.211 107.674 108.800 0.141 0.000 2.450 535 G HA2 -0.198 3.760 3.960 -0.004 0.000 0.220 535 G HA3 -0.198 3.760 3.960 -0.004 0.000 0.220 535 G C 1.522 176.443 174.900 0.035 0.000 1.130 535 G CA 1.052 46.312 45.100 0.266 0.000 0.760 535 G HN 0.344 nan 8.290 nan 0.000 0.557 536 V N 0.704 120.651 119.914 0.056 0.000 2.358 536 V HA -0.103 4.015 4.120 -0.004 0.000 0.246 536 V C 2.719 178.681 176.094 -0.220 0.000 1.047 536 V CA 1.305 63.597 62.300 -0.014 0.000 1.035 536 V CB -0.265 31.565 31.823 0.012 0.000 0.658 536 V HN 0.274 nan 8.190 nan 0.000 0.452 537 I N -0.572 119.775 120.570 -0.372 0.000 2.315 537 I HA -0.161 4.007 4.170 -0.004 0.000 0.248 537 I C 2.104 177.923 176.117 -0.496 0.000 1.117 537 I CA 1.512 62.504 61.300 -0.513 0.000 1.404 537 I CB -0.464 36.963 38.000 -0.955 0.000 1.071 537 I HN 0.176 nan 8.210 nan 0.000 0.419 538 L N -1.504 119.363 121.223 -0.593 0.000 2.049 538 L HA -0.080 4.258 4.340 -0.004 0.000 0.203 538 L C 1.916 178.233 176.870 -0.921 0.000 1.074 538 L CA 1.181 55.526 54.840 -0.826 0.000 0.749 538 L CB -0.513 40.854 42.059 -1.154 0.000 0.907 538 L HN 0.123 nan 8.230 nan 0.000 0.439 539 F N -0.672 119.008 119.950 -0.450 0.000 2.776 539 F HA 0.097 4.621 4.527 -0.004 0.000 0.300 539 F C 2.054 177.627 175.800 -0.378 0.000 1.116 539 F CA 0.186 57.874 58.000 -0.519 0.000 1.375 539 F CB -0.058 38.343 39.000 -0.998 0.000 1.109 539 F HN 0.045 nan 8.300 nan 0.000 0.585 540 E N -0.162 119.914 120.200 -0.206 0.000 2.419 540 E HA 0.016 4.363 4.350 -0.004 0.000 0.197 540 E C 1.851 178.387 176.600 -0.108 0.000 0.920 540 E CA -0.048 56.296 56.400 -0.093 0.000 1.085 540 E CB 0.148 29.832 29.700 -0.026 0.000 1.084 540 E HN 0.093 nan 8.360 nan 0.000 0.490 541 K N 1.138 121.445 120.400 -0.155 0.000 2.057 541 K HA -0.011 4.307 4.320 -0.004 0.000 0.206 541 K C 1.731 178.245 176.600 -0.143 0.000 1.050 541 K CA 0.943 57.145 56.287 -0.142 0.000 0.935 541 K CB 0.145 32.539 32.500 -0.176 0.000 0.715 541 K HN 0.053 nan 8.250 nan 0.000 0.439 542 L N 0.927 122.026 121.223 -0.207 0.000 2.607 542 L HA 0.084 4.422 4.340 -0.004 0.000 0.228 542 L C 0.097 176.888 176.870 -0.132 0.000 1.123 542 L CA -0.081 54.647 54.840 -0.187 0.000 0.890 542 L CB 0.275 42.136 42.059 -0.329 0.000 1.103 542 L HN 0.252 nan 8.230 nan 0.000 0.468 543 Q N 0.184 119.908 119.800 -0.126 0.000 2.461 543 Q HA -0.209 4.129 4.340 -0.004 0.000 0.264 543 Q C 0.108 176.051 176.000 -0.094 0.000 1.085 543 Q CA 0.913 56.666 55.803 -0.083 0.000 1.006 543 Q CB -2.016 26.694 28.738 -0.047 0.000 1.437 543 Q HN 0.503 nan 8.270 nan 0.000 0.514 544 L N 1.879 123.012 121.223 -0.150 0.000 2.483 544 L HA 0.121 4.458 4.340 -0.004 0.000 0.275 544 L C -1.178 175.672 176.870 -0.032 0.000 1.220 544 L CA -1.120 53.630 54.840 -0.150 0.000 0.833 544 L CB -0.277 41.628 42.059 -0.257 0.000 1.102 544 L HN -0.061 nan 8.230 nan 0.000 0.490 545 P HA 0.070 nan 4.420 nan 0.000 0.275 545 P C -0.799 176.546 177.300 0.076 0.000 1.228 545 P CA -0.265 62.779 63.100 -0.093 0.000 0.786 545 P CB 1.168 32.685 31.700 -0.306 0.000 0.927 546 V N 4.599 124.513 119.914 -0.000 0.000 2.348 546 V HA 0.246 4.364 4.120 -0.004 0.000 0.270 546 V C 0.733 176.790 176.094 -0.061 0.000 1.037 546 V CA -0.074 62.155 62.300 -0.118 0.000 0.872 546 V CB 0.177 31.895 31.823 -0.175 0.000 1.002 546 V HN 0.399 nan 8.190 nan 0.000 0.464 554 Y N 0.381 120.667 120.300 -0.023 0.000 2.468 554 Y HA 0.758 5.305 4.550 -0.004 0.000 0.342 554 Y C 0.430 176.313 175.900 -0.029 0.000 1.021 554 Y CA -0.895 57.143 58.100 -0.104 0.000 1.079 554 Y CB 2.370 40.826 38.460 -0.008 0.000 1.226 554 Y HN 0.399 nan 8.280 nan 0.000 0.460 555 S N 0.852 116.596 115.700 0.073 0.000 2.422 555 S HA 0.311 4.778 4.470 -0.004 0.000 0.308 555 S C 0.224 174.940 174.600 0.194 0.000 1.097 555 S CA -0.387 57.872 58.200 0.099 0.000 1.099 555 S CB -0.130 63.091 63.200 0.035 0.000 0.976 555 S HN 0.792 nan 8.310 nan 0.000 0.471 556 T N 1.390 116.083 114.554 0.231 0.000 3.275 556 T HA 0.313 4.661 4.350 -0.004 0.000 0.265 556 T C 0.569 175.371 174.700 0.169 0.000 0.978 556 T CA -0.335 61.917 62.100 0.254 0.000 0.923 556 T CB -0.619 68.399 68.868 0.250 0.000 1.126 556 T HN 0.622 nan 8.240 nan 0.000 0.538 557 S N 0.532 116.314 115.700 0.137 0.000 2.580 557 S HA 0.519 4.987 4.470 -0.004 0.000 0.266 557 S C 1.909 176.571 174.600 0.103 0.000 1.354 557 S CA -0.257 58.006 58.200 0.105 0.000 1.008 557 S CB 0.653 63.903 63.200 0.084 0.000 0.898 557 S HN 0.575 nan 8.310 nan 0.000 0.555 558 A N 0.816 123.688 122.820 0.086 0.000 1.940 558 A HA -0.145 4.172 4.320 -0.004 0.000 0.219 558 A C 1.822 179.449 177.584 0.072 0.000 1.176 558 A CA 2.084 54.168 52.037 0.078 0.000 0.631 558 A CB -1.379 17.660 19.000 0.065 0.000 0.814 558 A HN 1.002 nan 8.150 nan 0.000 0.446 559 D N -0.666 119.773 120.400 0.065 0.000 2.144 559 D HA -0.110 4.527 4.640 -0.004 0.000 0.199 559 D C 1.758 178.102 176.300 0.073 0.000 0.984 559 D CA 1.481 55.515 54.000 0.057 0.000 0.834 559 D CB -0.047 40.782 40.800 0.048 0.000 0.955 559 D HN 0.169 nan 8.370 nan 0.000 0.465 560 V N 0.389 120.358 119.914 0.093 0.000 2.307 560 V HA -0.187 3.931 4.120 -0.004 0.000 0.245 560 V C 2.622 178.800 176.094 0.140 0.000 1.045 560 V CA 1.226 63.599 62.300 0.121 0.000 1.024 560 V CB -0.510 31.403 31.823 0.150 0.000 0.651 560 V HN 0.314 nan 8.190 nan 0.000 0.449 561 L N -0.344 120.958 121.223 0.131 0.000 2.141 561 L HA -0.171 4.166 4.340 -0.004 0.000 0.209 561 L C 2.525 179.454 176.870 0.097 0.000 1.094 561 L CA 1.421 56.332 54.840 0.118 0.000 0.763 561 L CB -0.591 41.530 42.059 0.103 0.000 0.908 561 L HN 0.401 nan 8.230 nan 0.000 0.437 562 E N 0.204 120.451 120.200 0.079 0.000 2.204 562 E HA -0.218 4.129 4.350 -0.004 0.000 0.195 562 E C 1.983 178.618 176.600 0.058 0.000 0.990 562 E CA 1.047 57.481 56.400 0.056 0.000 0.821 562 E CB 0.109 29.834 29.700 0.040 0.000 0.750 562 E HN 0.449 nan 8.360 nan 0.000 0.477 563 K N -0.055 120.396 120.400 0.084 0.000 2.314 563 K HA 0.075 4.393 4.320 -0.004 0.000 0.198 563 K C 1.825 178.526 176.600 0.167 0.000 1.045 563 K CA 0.308 56.655 56.287 0.100 0.000 0.988 563 K CB 0.320 32.886 32.500 0.110 0.000 0.783 563 K HN 0.089 nan 8.250 nan 0.000 0.484 564 L N 0.397 121.740 121.223 0.199 0.000 2.446 564 L HA 0.058 4.395 4.340 -0.004 0.000 0.219 564 L C 2.376 179.379 176.870 0.223 0.000 1.116 564 L CA 0.151 55.176 54.840 0.308 0.000 0.844 564 L CB -0.409 41.781 42.059 0.218 0.000 0.970 564 L HN 0.135 nan 8.230 nan 0.000 0.457 565 A N 1.550 124.436 122.820 0.110 0.000 1.896 565 A HA -0.207 4.110 4.320 -0.004 0.000 0.220 565 A C -0.070 177.521 177.584 0.012 0.000 1.206 565 A CA 2.118 54.191 52.037 0.059 0.000 0.647 565 A CB -1.910 17.107 19.000 0.028 0.000 0.828 565 A HN 0.290 nan 8.150 nan 0.000 0.455 566 P HA -0.122 nan 4.420 nan 0.000 0.221 566 P C 0.691 177.853 177.300 -0.230 0.000 1.145 566 P CA 1.023 64.000 63.100 -0.204 0.000 0.795 566 P CB -0.148 31.354 31.700 -0.331 0.000 0.775 567 Y N -2.713 117.605 120.300 0.030 0.000 2.337 567 Y HA 0.022 4.569 4.550 -0.004 0.000 0.293 567 Y C 1.507 177.444 175.900 0.061 0.000 1.123 567 Y CA 1.055 59.179 58.100 0.039 0.000 1.201 567 Y CB -0.170 38.322 38.460 0.052 0.000 1.011 567 Y HN 0.045 nan 8.280 nan 0.000 0.545 568 H N -0.745 118.391 119.070 0.110 0.000 3.038 568 H HA 0.135 4.688 4.556 -0.004 0.000 0.362 568 H C 0.345 175.686 175.328 0.023 0.000 1.167 568 H CA -0.526 55.552 56.048 0.050 0.000 1.197 568 H CB 1.776 31.555 29.762 0.028 0.000 1.840 568 H HN 0.166 nan 8.280 nan 0.000 0.540 569 E N 3.687 123.913 120.200 0.043 0.000 2.209 569 E HA -0.125 4.223 4.350 -0.004 0.000 0.196 569 E C 1.738 178.447 176.600 0.182 0.000 0.993 569 E CA 0.850 57.301 56.400 0.086 0.000 0.819 569 E CB 0.273 29.976 29.700 0.004 0.000 0.745 569 E HN 0.635 nan 8.360 nan 0.000 0.477 570 I N 0.102 120.887 120.570 0.358 0.000 2.361 570 I HA -0.262 3.905 4.170 -0.004 0.000 0.251 570 I C 1.973 178.141 176.117 0.084 0.000 1.133 570 I CA 0.658 62.050 61.300 0.152 0.000 1.413 570 I CB 0.117 38.115 38.000 -0.002 0.000 1.073 570 I HN 0.022 nan 8.210 nan 0.000 0.424 571 V N 0.749 120.717 119.914 0.090 0.000 2.287 571 V HA -0.343 3.775 4.120 -0.004 0.000 0.248 571 V C 2.399 178.538 176.094 0.076 0.000 1.053 571 V CA 2.362 64.702 62.300 0.068 0.000 1.027 571 V CB -0.801 31.068 31.823 0.077 0.000 0.646 571 V HN 0.523 nan 8.190 nan 0.000 0.447 572 E N 0.292 120.535 120.200 0.071 0.000 2.038 572 E HA -0.265 4.082 4.350 -0.004 0.000 0.195 572 E C 2.179 178.833 176.600 0.090 0.000 1.000 572 E CA 1.639 58.075 56.400 0.060 0.000 0.803 572 E CB -0.152 29.569 29.700 0.035 0.000 0.750 572 E HN 0.615 nan 8.360 nan 0.000 0.448 573 N N 0.368 119.123 118.700 0.092 0.000 2.166 573 N HA -0.160 4.577 4.740 -0.004 0.000 0.186 573 N C 2.029 177.621 175.510 0.136 0.000 1.019 573 N CA 1.183 54.302 53.050 0.114 0.000 0.856 573 N CB -0.166 38.358 38.487 0.061 0.000 0.993 573 N HN 0.289 nan 8.380 nan 0.000 0.426 574 I N 1.022 121.656 120.570 0.106 0.000 2.394 574 I HA -0.195 3.973 4.170 -0.004 0.000 0.251 574 I C 2.137 178.361 176.117 0.178 0.000 1.136 574 I CA 0.636 62.013 61.300 0.128 0.000 1.425 574 I CB -0.076 37.983 38.000 0.098 0.000 1.079 574 I HN 0.067 nan 8.210 nan 0.000 0.425 575 L N -0.422 120.891 121.223 0.150 0.000 2.072 575 L HA -0.215 4.122 4.340 -0.004 0.000 0.205 575 L C 2.668 179.646 176.870 0.179 0.000 1.079 575 L CA 1.309 56.234 54.840 0.141 0.000 0.752 575 L CB -0.729 41.394 42.059 0.106 0.000 0.906 575 L HN 0.346 nan 8.230 nan 0.000 0.436 576 H N -1.133 117.979 119.070 0.070 0.000 2.321 576 H HA -0.274 4.279 4.556 -0.004 0.000 0.300 576 H C 2.310 177.669 175.328 0.053 0.000 1.087 576 H CA 1.911 57.989 56.048 0.050 0.000 1.319 576 H CB 0.064 29.853 29.762 0.046 0.000 1.379 576 H HN 0.282 nan 8.280 nan 0.000 0.501 577 Y N 1.770 122.057 120.300 -0.022 0.000 2.193 577 Y HA -0.242 4.306 4.550 -0.004 0.000 0.285 577 Y C 2.574 178.433 175.900 -0.068 0.000 1.166 577 Y CA 1.676 59.709 58.100 -0.111 0.000 1.181 577 Y CB -0.214 38.189 38.460 -0.096 0.000 0.976 577 Y HN 0.076 nan 8.280 nan 0.000 0.520 578 R N -0.150 120.345 120.500 -0.008 0.000 2.090 578 R HA -0.180 4.158 4.340 -0.004 0.000 0.228 578 R C 2.451 178.698 176.300 -0.087 0.000 1.110 578 R CA 1.500 57.568 56.100 -0.053 0.000 0.973 578 R CB -0.371 29.977 30.300 0.078 0.000 0.869 578 R HN 0.541 nan 8.270 nan 0.000 0.440 579 Q N 1.211 120.992 119.800 -0.031 0.000 1.967 579 Q HA -0.186 4.152 4.340 -0.004 0.000 0.202 579 Q C 2.109 178.061 176.000 -0.079 0.000 0.985 579 Q CA 1.571 57.369 55.803 -0.009 0.000 0.839 579 Q CB -0.193 28.586 28.738 0.069 0.000 0.906 579 Q HN 0.310 nan 8.270 nan 0.000 0.423 580 L N 0.363 121.482 121.223 -0.173 0.000 2.043 580 L HA -0.184 4.153 4.340 -0.004 0.000 0.212 580 L C 2.577 179.310 176.870 -0.228 0.000 1.075 580 L CA 1.303 56.014 54.840 -0.214 0.000 0.752 580 L CB -1.025 40.835 42.059 -0.332 0.000 0.891 580 L HN 0.536 nan 8.230 nan 0.000 0.432 581 G N -0.168 108.404 108.800 -0.379 0.000 2.450 581 G HA2 -0.307 3.650 3.960 -0.004 0.000 0.220 581 G HA3 -0.307 3.650 3.960 -0.004 0.000 0.220 581 G C 1.684 176.480 174.900 -0.174 0.000 1.130 581 G CA 0.901 45.772 45.100 -0.382 0.000 0.760 581 G HN 0.198 nan 8.290 nan 0.000 0.557 582 K N 0.472 120.813 120.400 -0.098 0.000 2.116 582 K HA 0.193 4.511 4.320 -0.004 0.000 0.203 582 K C 2.400 179.052 176.600 0.088 0.000 1.052 582 K CA 0.614 56.902 56.287 0.002 0.000 0.952 582 K CB -0.529 32.006 32.500 0.058 0.000 0.729 582 K HN 0.336 nan 8.250 nan 0.000 0.446 583 L N 0.457 121.742 121.223 0.103 0.000 2.093 583 L HA -0.157 4.181 4.340 -0.004 0.000 0.208 583 L C 2.577 179.512 176.870 0.108 0.000 1.085 583 L CA 1.355 56.312 54.840 0.195 0.000 0.755 583 L CB -0.504 41.604 42.059 0.081 0.000 0.904 583 L HN 0.290 nan 8.230 nan 0.000 0.435 584 Q N 0.656 120.460 119.800 0.006 0.000 1.965 584 Q HA -0.196 4.142 4.340 -0.004 0.000 0.200 584 Q C 2.439 178.422 176.000 -0.029 0.000 0.981 584 Q CA 2.610 58.400 55.803 -0.022 0.000 0.834 584 Q CB -0.343 28.355 28.738 -0.066 0.000 0.900 584 Q HN 0.466 nan 8.270 nan 0.000 0.426 585 S N -1.523 114.146 115.700 -0.052 0.000 2.370 585 S HA -0.151 4.317 4.470 -0.004 0.000 0.226 585 S C 1.929 176.471 174.600 -0.097 0.000 1.033 585 S CA 1.717 59.879 58.200 -0.064 0.000 1.011 585 S CB -0.809 62.352 63.200 -0.064 0.000 0.852 585 S HN 0.487 nan 8.310 nan 0.000 0.457 586 T N 0.120 114.579 114.554 -0.158 0.000 2.925 586 T HA 0.213 4.561 4.350 -0.004 0.000 0.245 586 T C 1.071 175.527 174.700 -0.407 0.000 1.025 586 T CA 0.811 62.702 62.100 -0.349 0.000 1.149 586 T CB -0.415 68.093 68.868 -0.600 0.000 0.866 586 T HN 0.502 nan 8.240 nan 0.000 0.437 587 Y N 0.462 120.780 120.300 0.030 0.000 2.490 587 Y HA 0.328 4.876 4.550 -0.004 0.000 0.281 587 Y C 1.594 177.520 175.900 0.043 0.000 1.174 587 Y CA -0.332 57.804 58.100 0.060 0.000 1.295 587 Y CB -0.071 38.430 38.460 0.067 0.000 1.062 587 Y HN 0.172 nan 8.280 nan 0.000 0.522 588 I N -1.002 119.622 120.570 0.091 0.000 3.818 588 I HA 0.001 4.168 4.170 -0.004 0.000 0.242 588 I C 1.836 177.957 176.117 0.006 0.000 1.111 588 I CA 0.489 61.818 61.300 0.048 0.000 1.576 588 I CB -0.772 37.246 38.000 0.029 0.000 1.572 588 I HN 0.064 nan 8.210 nan 0.000 0.450 589 E N 1.441 121.633 120.200 -0.013 0.000 2.047 589 E HA -0.118 4.230 4.350 -0.004 0.000 0.191 589 E C 2.099 178.679 176.600 -0.033 0.000 0.987 589 E CA 1.364 57.749 56.400 -0.025 0.000 0.799 589 E CB -0.291 29.392 29.700 -0.029 0.000 0.752 589 E HN 0.560 nan 8.360 nan 0.000 0.449 590 G N 1.682 110.450 108.800 -0.053 0.000 2.422 590 G HA2 -0.228 3.729 3.960 -0.004 0.000 0.218 590 G HA3 -0.228 3.729 3.960 -0.004 0.000 0.218 590 G C 1.571 176.446 174.900 -0.041 0.000 1.146 590 G CA 0.254 45.316 45.100 -0.064 0.000 0.769 590 G HN 0.104 nan 8.290 nan 0.000 0.547 591 L N -0.106 121.106 121.223 -0.018 0.000 2.005 591 L HA 0.045 4.383 4.340 -0.004 0.000 0.207 591 L C 2.893 179.757 176.870 -0.010 0.000 1.072 591 L CA 0.916 55.767 54.840 0.019 0.000 0.744 591 L CB -0.224 41.880 42.059 0.076 0.000 0.895 591 L HN 0.199 nan 8.230 nan 0.000 0.433 592 L N -0.209 121.001 121.223 -0.021 0.000 2.189 592 L HA -0.290 4.048 4.340 -0.004 0.000 0.214 592 L C 2.485 179.338 176.870 -0.028 0.000 1.097 592 L CA 1.343 56.164 54.840 -0.032 0.000 0.764 592 L CB -0.447 41.594 42.059 -0.029 0.000 0.900 592 L HN 0.234 nan 8.230 nan 0.000 0.436 593 K N -0.456 119.929 120.400 -0.025 0.000 2.283 593 K HA -0.096 4.222 4.320 -0.004 0.000 0.202 593 K C 1.566 178.152 176.600 -0.024 0.000 1.048 593 K CA 1.335 57.606 56.287 -0.025 0.000 0.948 593 K CB 0.110 32.593 32.500 -0.028 0.000 0.742 593 K HN 0.384 nan 8.250 nan 0.000 0.458 594 V N -2.891 117.011 119.914 -0.020 0.000 3.528 594 V HA 0.174 4.292 4.120 -0.004 0.000 0.294 594 V C 0.477 176.564 176.094 -0.011 0.000 1.404 594 V CA -0.550 61.740 62.300 -0.016 0.000 1.065 594 V CB 0.314 32.132 31.823 -0.008 0.000 0.904 594 V HN -0.235 nan 8.190 nan 0.000 0.435 595 V N 3.201 123.102 119.914 -0.021 0.000 2.614 595 V HA 0.315 4.433 4.120 -0.004 0.000 0.291 595 V C 0.768 176.858 176.094 -0.008 0.000 1.049 595 V CA -0.359 61.925 62.300 -0.026 0.000 1.038 595 V CB 0.761 32.553 31.823 -0.052 0.000 0.980 595 V HN 0.490 nan 8.190 nan 0.000 0.481 596 R N 5.782 126.295 120.500 0.022 0.000 2.370 596 R HA 0.160 4.498 4.340 -0.004 0.000 0.309 596 R C -1.798 174.509 176.300 0.012 0.000 1.059 596 R CA -1.602 54.518 56.100 0.034 0.000 0.981 596 R CB 0.537 30.900 30.300 0.106 0.000 0.972 596 R HN 0.476 nan 8.270 nan 0.000 0.437 597 P HA -0.170 nan 4.420 nan 0.000 0.218 597 P C 0.707 178.007 177.300 -0.000 0.000 1.148 597 P CA 1.216 64.312 63.100 -0.006 0.000 0.822 597 P CB 0.217 31.912 31.700 -0.010 0.000 0.784 598 D N -1.416 118.992 120.400 0.013 0.000 2.194 598 D HA -0.081 4.556 4.640 -0.004 0.000 0.204 598 D C 1.377 177.686 176.300 0.016 0.000 0.964 598 D CA 1.841 55.851 54.000 0.017 0.000 0.846 598 D CB -1.087 39.732 40.800 0.032 0.000 0.962 598 D HN 0.247 nan 8.370 nan 0.000 0.490 599 T N -3.639 110.931 114.554 0.027 0.000 3.003 599 T HA 0.149 4.496 4.350 -0.004 0.000 0.261 599 T C 0.600 175.290 174.700 -0.018 0.000 1.003 599 T CA -0.420 61.686 62.100 0.010 0.000 0.917 599 T CB 0.343 69.237 68.868 0.043 0.000 1.084 599 T HN -0.165 nan 8.240 nan 0.000 0.522 600 K N 0.896 121.286 120.400 -0.016 0.000 3.069 600 K HA -0.123 4.195 4.320 -0.004 0.000 0.267 600 K C -0.503 176.055 176.600 -0.070 0.000 1.082 600 K CA 0.759 57.019 56.287 -0.045 0.000 0.782 600 K CB -1.932 30.535 32.500 -0.055 0.000 1.230 600 K HN 0.599 nan 8.250 nan 0.000 0.488 601 K N 0.065 120.432 120.400 -0.054 0.000 2.267 601 K HA 0.575 4.893 4.320 -0.004 0.000 0.246 601 K C 0.099 176.622 176.600 -0.129 0.000 0.954 601 K CA -0.900 55.305 56.287 -0.137 0.000 0.824 601 K CB 2.284 34.652 32.500 -0.219 0.000 1.167 601 K HN 0.024 nan 8.250 nan 0.000 0.431 602 V N -0.861 118.931 119.914 -0.204 0.000 2.513 602 V HA 0.440 4.558 4.120 -0.004 0.000 0.299 602 V C -0.632 175.284 176.094 -0.296 0.000 1.035 602 V CA -0.655 61.572 62.300 -0.123 0.000 0.889 602 V CB 1.431 33.244 31.823 -0.017 0.000 0.988 602 V HN 0.721 nan 8.190 nan 0.000 0.440 603 H N 2.557 121.540 119.070 -0.144 0.000 2.725 603 H HA 0.381 4.935 4.556 -0.004 0.000 0.283 603 H C 0.208 175.414 175.328 -0.203 0.000 1.110 603 H CA -0.207 55.672 56.048 -0.282 0.000 1.289 603 H CB 1.746 31.086 29.762 -0.704 0.000 1.400 603 H HN 0.870 nan 8.280 nan 0.000 0.493 604 T N 2.822 117.340 114.554 -0.061 0.000 2.766 604 T HA 0.356 4.704 4.350 -0.004 0.000 0.295 604 T C 0.524 175.178 174.700 -0.076 0.000 1.024 604 T CA -0.315 61.701 62.100 -0.140 0.000 1.018 604 T CB 0.331 68.977 68.868 -0.370 0.000 1.002 604 T HN 0.423 nan 8.240 nan 0.000 0.532 605 I N 2.873 123.327 120.570 -0.193 0.000 2.439 605 I HA 0.319 4.487 4.170 -0.004 0.000 0.285 605 I C -1.027 174.977 176.117 -0.188 0.000 1.021 605 I CA -0.732 60.492 61.300 -0.127 0.000 1.091 605 I CB 1.401 39.280 38.000 -0.202 0.000 1.242 605 I HN 0.524 nan 8.210 nan 0.000 0.439 606 F N 4.918 124.936 119.950 0.113 0.000 2.404 606 F HA 0.242 4.767 4.527 -0.004 0.000 0.358 606 F C 0.909 176.740 175.800 0.052 0.000 1.120 606 F CA -0.444 57.601 58.000 0.075 0.000 1.144 606 F CB 0.389 39.431 39.000 0.069 0.000 1.133 606 F HN 0.407 nan 8.300 nan 0.000 0.495 607 N N 3.741 122.553 118.700 0.186 0.000 2.401 607 N HA -0.008 4.730 4.740 -0.004 0.000 0.255 607 N C 0.600 176.128 175.510 0.029 0.000 1.110 607 N CA 0.231 53.330 53.050 0.082 0.000 0.949 607 N CB 0.866 39.383 38.487 0.049 0.000 1.110 607 N HN 0.795 nan 8.380 nan 0.000 0.490 608 Q N 2.806 122.576 119.800 -0.051 0.000 2.392 608 Q HA 0.179 4.516 4.340 -0.004 0.000 0.203 608 Q C -0.307 175.383 176.000 -0.516 0.000 0.917 608 Q CA 0.184 55.893 55.803 -0.157 0.000 0.939 608 Q CB 0.362 29.039 28.738 -0.102 0.000 1.063 608 Q HN 0.618 nan 8.270 nan 0.000 0.516 609 A N 0.668 123.113 122.820 -0.625 0.000 3.253 609 A HA 0.337 4.655 4.320 -0.004 0.000 0.290 609 A C -0.091 177.107 177.584 -0.642 0.000 0.950 609 A CA -0.392 50.855 52.037 -1.317 0.000 0.986 609 A CB 0.147 18.720 19.000 -0.711 0.000 1.104 609 A HN 0.451 nan 8.150 nan 0.000 0.481 610 L N -0.274 120.746 121.223 -0.340 0.000 2.664 610 L HA 0.247 4.584 4.340 -0.004 0.000 0.198 610 L C 1.286 178.277 176.870 0.202 0.000 1.057 610 L CA 1.004 55.862 54.840 0.030 0.000 0.871 610 L CB 0.406 42.480 42.059 0.025 0.000 1.364 610 L HN 0.462 nan 8.230 nan 0.000 0.483 611 T N -1.401 113.272 114.554 0.198 0.000 2.940 611 T HA 0.001 4.349 4.350 -0.004 0.000 0.309 611 T C 0.776 175.632 174.700 0.260 0.000 1.056 611 T CA -0.373 61.851 62.100 0.207 0.000 1.137 611 T CB 0.910 69.878 68.868 0.166 0.000 0.976 611 T HN 0.246 nan 8.240 nan 0.000 0.547 612 Q N 1.750 121.637 119.800 0.145 0.000 2.488 612 Q HA 0.011 4.349 4.340 -0.004 0.000 0.211 612 Q C 2.145 178.176 176.000 0.052 0.000 0.967 612 Q CA 1.426 57.281 55.803 0.088 0.000 0.926 612 Q CB -0.322 28.451 28.738 0.058 0.000 0.992 612 Q HN 1.041 nan 8.270 nan 0.000 0.506 613 T N -5.222 109.380 114.554 0.079 0.000 3.023 613 T HA 0.403 4.751 4.350 -0.004 0.000 0.253 613 T C 1.297 176.042 174.700 0.075 0.000 1.038 613 T CA 0.565 62.699 62.100 0.057 0.000 0.962 613 T CB 0.775 69.672 68.868 0.049 0.000 1.018 613 T HN 0.290 nan 8.240 nan 0.000 0.521 614 G N 1.839 110.731 108.800 0.154 0.000 2.176 614 G HA2 -0.206 3.752 3.960 -0.004 0.000 0.232 614 G HA3 -0.206 3.752 3.960 -0.004 0.000 0.232 614 G C 0.306 175.315 174.900 0.183 0.000 0.986 614 G CA -0.340 44.878 45.100 0.196 0.000 0.643 614 G HN 0.609 nan 8.290 nan 0.000 0.522 615 R N -0.249 120.348 120.500 0.161 0.000 2.726 615 R HA 0.624 4.961 4.340 -0.004 0.000 0.272 615 R C 0.699 177.106 176.300 0.178 0.000 1.097 615 R CA -0.113 56.090 56.100 0.171 0.000 1.198 615 R CB 0.420 30.820 30.300 0.167 0.000 1.114 615 R HN 0.289 nan 8.270 nan 0.000 0.550 616 L N 0.031 121.371 121.223 0.196 0.000 2.400 616 L HA 0.371 4.709 4.340 -0.004 0.000 0.264 616 L C 0.518 177.543 176.870 0.258 0.000 1.061 616 L CA -0.533 54.410 54.840 0.171 0.000 0.799 616 L CB 1.583 43.703 42.059 0.102 0.000 1.240 616 L HN 0.753 nan 8.230 nan 0.000 0.461 617 S N -0.664 115.184 115.700 0.246 0.000 2.632 617 S HA 0.724 5.191 4.470 -0.004 0.000 0.289 617 S C -0.821 173.927 174.600 0.247 0.000 1.115 617 S CA -0.726 57.617 58.200 0.238 0.000 0.889 617 S CB 1.997 65.290 63.200 0.155 0.000 1.116 617 S HN 0.527 nan 8.310 nan 0.000 0.486 618 S N 0.588 116.386 115.700 0.164 0.000 2.547 618 S HA 0.825 5.292 4.470 -0.004 0.000 0.281 618 S C -0.781 173.817 174.600 -0.003 0.000 1.118 618 S CA -0.232 57.984 58.200 0.027 0.000 0.947 618 S CB 1.196 64.409 63.200 0.021 0.000 1.053 618 S HN 1.353 nan 8.310 nan 0.000 0.482 619 T N 0.526 115.040 114.554 -0.066 0.000 2.865 619 T HA 0.607 4.954 4.350 -0.004 0.000 0.294 619 T C -0.831 173.835 174.700 -0.057 0.000 1.119 619 T CA -0.888 61.189 62.100 -0.038 0.000 1.007 619 T CB 0.990 69.842 68.868 -0.027 0.000 1.225 619 T HN 0.687 nan 8.240 nan 0.000 0.515 620 E N 1.384 121.565 120.200 -0.033 0.000 2.106 620 E HA -0.145 4.202 4.350 -0.004 0.000 0.175 620 E C -2.287 174.301 176.600 -0.020 0.000 1.448 620 E CA 0.189 56.572 56.400 -0.028 0.000 0.672 620 E CB -1.078 28.598 29.700 -0.039 0.000 1.057 620 E HN 0.555 nan 8.360 nan 0.000 0.321 621 P HA 0.115 nan 4.420 nan 0.000 0.286 621 P C -0.632 176.682 177.300 0.023 0.000 1.292 621 P CA -0.730 62.384 63.100 0.023 0.000 0.842 621 P CB 0.887 32.631 31.700 0.074 0.000 1.207 622 N N 0.909 119.642 118.700 0.056 0.000 2.415 622 N HA 0.111 4.849 4.740 -0.004 0.000 0.246 622 N C 0.425 176.021 175.510 0.142 0.000 1.078 622 N CA -0.040 53.057 53.050 0.079 0.000 0.942 622 N CB -0.593 37.954 38.487 0.100 0.000 1.140 622 N HN 0.303 nan 8.380 nan 0.000 0.501 623 L N 2.546 123.839 121.223 0.116 0.000 2.629 623 L HA 0.155 4.493 4.340 -0.004 0.000 0.230 623 L C 1.093 178.103 176.870 0.232 0.000 1.151 623 L CA 0.208 55.153 54.840 0.175 0.000 0.924 623 L CB 0.041 42.165 42.059 0.108 0.000 1.137 623 L HN 0.504 nan 8.230 nan 0.000 0.457 624 Q N 0.670 120.588 119.800 0.198 0.000 2.219 624 Q HA 0.091 4.428 4.340 -0.004 0.000 0.209 624 Q C 0.317 176.437 176.000 0.200 0.000 0.854 624 Q CA -0.038 55.878 55.803 0.188 0.000 0.960 624 Q CB 0.429 29.254 28.738 0.144 0.000 1.116 624 Q HN 0.432 nan 8.270 nan 0.000 0.500 625 N N -0.258 118.554 118.700 0.188 0.000 2.547 625 N HA 0.071 4.808 4.740 -0.004 0.000 0.285 625 N C -0.720 174.853 175.510 0.105 0.000 1.600 625 N CA -0.206 52.943 53.050 0.165 0.000 0.872 625 N CB 0.360 38.975 38.487 0.213 0.000 1.412 625 N HN -0.070 nan 8.380 nan 0.000 0.489 626 I N 1.560 122.110 120.570 -0.033 0.000 2.496 626 I HA 0.329 4.497 4.170 -0.004 0.000 0.285 626 I C -1.818 174.038 176.117 -0.435 0.000 1.080 626 I CA -2.018 59.112 61.300 -0.282 0.000 1.404 626 I CB 0.225 38.003 38.000 -0.369 0.000 1.403 626 I HN -0.064 nan 8.210 nan 0.000 0.539 627 P HA 0.081 nan 4.420 nan 0.000 0.264 627 P C 0.604 177.722 177.300 -0.303 0.000 1.179 627 P CA 0.527 63.382 63.100 -0.408 0.000 0.763 627 P CB 1.019 32.457 31.700 -0.437 0.000 0.806 628 I N 0.859 121.305 120.570 -0.207 0.000 5.409 628 I HA 0.050 4.217 4.170 -0.004 0.000 0.367 628 I C 1.632 177.683 176.117 -0.111 0.000 1.127 628 I CA -0.008 61.184 61.300 -0.181 0.000 1.619 628 I CB 0.266 38.128 38.000 -0.230 0.000 2.019 628 I HN 0.095 nan 8.210 nan 0.000 0.684 629 R N 1.103 121.553 120.500 -0.082 0.000 2.073 629 R HA 0.085 4.423 4.340 -0.004 0.000 0.234 629 R C 0.315 176.592 176.300 -0.037 0.000 1.134 629 R CA 1.116 57.188 56.100 -0.047 0.000 0.952 629 R CB -0.134 30.151 30.300 -0.024 0.000 0.850 629 R HN 0.232 nan 8.270 nan 0.000 0.433 630 L N 1.093 122.296 121.223 -0.034 0.000 2.289 630 L HA 0.134 4.472 4.340 -0.004 0.000 0.285 630 L C 1.265 178.128 176.870 -0.011 0.000 1.049 630 L CA -0.528 54.302 54.840 -0.017 0.000 0.804 630 L CB 1.598 43.655 42.059 -0.003 0.000 1.195 630 L HN -0.009 nan 8.230 nan 0.000 0.428 631 E N 2.018 122.220 120.200 0.003 0.000 2.097 631 E HA -0.248 4.099 4.350 -0.004 0.000 0.196 631 E C 1.553 178.171 176.600 0.030 0.000 1.000 631 E CA 1.884 58.301 56.400 0.029 0.000 0.804 631 E CB 0.186 29.905 29.700 0.032 0.000 0.740 631 E HN 0.662 nan 8.360 nan 0.000 0.454 632 E N -0.997 119.216 120.200 0.022 0.000 2.085 632 E HA -0.157 4.191 4.350 -0.004 0.000 0.194 632 E C 2.060 178.656 176.600 -0.006 0.000 0.994 632 E CA 1.049 57.460 56.400 0.019 0.000 0.801 632 E CB -0.336 29.397 29.700 0.054 0.000 0.743 632 E HN 0.448 nan 8.360 nan 0.000 0.453 633 G N 0.917 109.704 108.800 -0.021 0.000 2.464 633 G HA2 -0.215 3.742 3.960 -0.004 0.000 0.217 633 G HA3 -0.215 3.742 3.960 -0.004 0.000 0.217 633 G C 1.507 176.355 174.900 -0.086 0.000 1.138 633 G CA 0.132 45.191 45.100 -0.068 0.000 0.793 633 G HN 0.063 nan 8.290 nan 0.000 0.539 634 R N 0.484 120.960 120.500 -0.039 0.000 2.152 634 R HA -0.059 4.279 4.340 -0.004 0.000 0.232 634 R C 2.164 178.521 176.300 0.095 0.000 1.117 634 R CA 0.986 57.095 56.100 0.014 0.000 0.981 634 R CB -0.029 30.324 30.300 0.087 0.000 0.870 634 R HN 0.058 nan 8.270 nan 0.000 0.451 635 K N 0.645 121.039 120.400 -0.010 0.000 2.211 635 K HA -0.141 4.177 4.320 -0.004 0.000 0.204 635 K C 1.921 178.467 176.600 -0.089 0.000 1.047 635 K CA 0.772 56.948 56.287 -0.184 0.000 0.935 635 K CB -0.241 32.161 32.500 -0.164 0.000 0.728 635 K HN 0.270 nan 8.250 nan 0.000 0.452 636 I N 1.184 121.747 120.570 -0.012 0.000 2.315 636 I HA -0.275 3.892 4.170 -0.004 0.000 0.251 636 I C 1.996 178.241 176.117 0.214 0.000 1.125 636 I CA 1.319 62.665 61.300 0.077 0.000 1.392 636 I CB -0.784 37.254 38.000 0.062 0.000 1.065 636 I HN 0.199 nan 8.210 nan 0.000 0.424 637 R N 0.452 121.049 120.500 0.162 0.000 2.285 637 R HA -0.131 4.207 4.340 -0.004 0.000 0.213 637 R C 1.859 178.402 176.300 0.404 0.000 1.068 637 R CA 0.517 56.790 56.100 0.288 0.000 1.004 637 R CB -0.203 30.084 30.300 -0.021 0.000 0.873 637 R HN 0.585 nan 8.270 nan 0.000 0.467 638 Q N -0.232 119.684 119.800 0.194 0.000 2.488 638 Q HA 0.021 4.358 4.340 -0.004 0.000 0.211 638 Q C 1.588 177.675 176.000 0.145 0.000 0.967 638 Q CA 0.880 56.754 55.803 0.118 0.000 0.926 638 Q CB 0.289 28.951 28.738 -0.128 0.000 0.992 638 Q HN 0.299 nan 8.270 nan 0.000 0.506 639 A N 0.029 122.959 122.820 0.185 0.000 2.178 639 A HA 0.106 4.423 4.320 -0.004 0.000 0.211 639 A C 0.032 177.579 177.584 -0.061 0.000 1.157 639 A CA 0.004 52.056 52.037 0.025 0.000 0.780 639 A CB 0.235 19.188 19.000 -0.078 0.000 0.828 639 A HN 0.157 nan 8.150 nan 0.000 0.476 640 F N 0.603 120.664 119.950 0.185 0.000 2.361 640 F HA 0.474 4.998 4.527 -0.004 0.000 0.364 640 F C 0.331 176.231 175.800 0.167 0.000 1.120 640 F CA -0.850 57.265 58.000 0.191 0.000 1.102 640 F CB 1.385 40.587 39.000 0.337 0.000 1.183 640 F HN 0.055 nan 8.300 nan 0.000 0.476 641 V N 1.431 121.465 119.914 0.200 0.000 3.158 641 V HA 0.775 4.892 4.120 -0.004 0.000 0.315 641 V C -2.657 173.507 176.094 0.115 0.000 1.148 641 V CA -2.923 59.471 62.300 0.155 0.000 1.042 641 V CB 1.923 33.802 31.823 0.093 0.000 1.101 641 V HN 0.361 nan 8.190 nan 0.000 0.448 642 P HA 0.187 nan 4.420 nan 0.000 0.272 642 P C 0.628 177.927 177.300 -0.002 0.000 1.223 642 P CA 0.243 63.410 63.100 0.111 0.000 0.784 642 P CB 1.265 33.092 31.700 0.212 0.000 0.923 643 S N -0.470 115.180 115.700 -0.083 0.000 2.522 643 S HA 0.022 4.489 4.470 -0.004 0.000 0.227 643 S C 0.498 174.891 174.600 -0.346 0.000 0.986 643 S CA 0.309 58.391 58.200 -0.195 0.000 0.929 643 S CB -0.271 62.810 63.200 -0.198 0.000 0.769 643 S HN 0.416 nan 8.310 nan 0.000 0.529 644 E N 1.874 121.766 120.200 -0.512 0.000 2.317 644 E HA 0.417 4.764 4.350 -0.004 0.000 0.270 644 E C -0.843 175.587 176.600 -0.282 0.000 0.885 644 E CA -0.564 55.458 56.400 -0.630 0.000 0.760 644 E CB 2.020 30.833 29.700 -1.477 0.000 1.227 644 E HN 0.344 nan 8.360 nan 0.000 0.434 645 S N 0.981 116.601 115.700 -0.133 0.000 2.562 645 S HA 0.164 4.632 4.470 -0.004 0.000 0.281 645 S C 0.245 174.939 174.600 0.157 0.000 1.333 645 S CA -0.308 57.903 58.200 0.019 0.000 1.052 645 S CB 0.538 63.745 63.200 0.012 0.000 0.884 645 S HN 0.568 nan 8.310 nan 0.000 0.506 646 D N -0.898 119.612 120.400 0.183 0.000 3.070 646 D HA -0.117 4.520 4.640 -0.004 0.000 0.210 646 D C -0.957 175.531 176.300 0.314 0.000 1.103 646 D CA 1.253 55.381 54.000 0.214 0.000 0.980 646 D CB -1.313 39.595 40.800 0.180 0.000 1.100 646 D HN 0.648 nan 8.370 nan 0.000 0.423 647 W N 0.360 121.661 121.300 0.002 0.000 2.497 647 W HA 0.728 5.385 4.660 -0.004 0.000 0.359 647 W C 0.690 177.220 176.519 0.019 0.000 1.131 647 W CA -0.305 57.032 57.345 -0.013 0.000 1.280 647 W CB 0.611 30.054 29.460 -0.028 0.000 1.319 647 W HN -0.178 nan 8.180 nan 0.000 0.626 648 L N 2.577 123.919 121.223 0.198 0.000 2.359 648 L HA 0.480 4.817 4.340 -0.004 0.000 0.256 648 L C -0.693 176.293 176.870 0.194 0.000 1.026 648 L CA -1.364 53.590 54.840 0.189 0.000 0.828 648 L CB 1.757 43.914 42.059 0.163 0.000 1.406 648 L HN -0.014 nan 8.230 nan 0.000 0.413 649 I N 1.425 122.133 120.570 0.230 0.000 2.365 649 I HA 0.275 4.443 4.170 -0.004 0.000 0.291 649 I C -0.683 175.610 176.117 0.293 0.000 1.004 649 I CA 0.035 61.465 61.300 0.216 0.000 1.311 649 I CB 0.977 39.101 38.000 0.206 0.000 1.401 649 I HN 0.326 nan 8.210 nan 0.000 0.491 650 F N 5.816 125.825 119.950 0.097 0.000 2.477 650 F HA 0.716 5.241 4.527 -0.004 0.000 0.335 650 F C -0.392 175.472 175.800 0.106 0.000 1.130 650 F CA -0.569 57.507 58.000 0.127 0.000 0.948 650 F CB 1.469 40.477 39.000 0.013 0.000 1.154 650 F HN 0.500 nan 8.300 nan 0.000 0.439 651 A N 4.614 127.342 122.820 -0.152 0.000 2.343 651 A HA 0.919 5.237 4.320 -0.004 0.000 0.316 651 A C -1.462 176.045 177.584 -0.128 0.000 1.104 651 A CA -0.316 51.719 52.037 -0.003 0.000 0.768 651 A CB 1.016 20.105 19.000 0.148 0.000 1.213 651 A HN 1.224 nan 8.150 nan 0.000 0.456 652 A N 3.003 125.831 122.820 0.014 0.000 2.374 652 A HA 0.766 5.084 4.320 -0.004 0.000 0.305 652 A C -1.178 176.392 177.584 -0.024 0.000 1.053 652 A CA -0.509 51.532 52.037 0.006 0.000 0.726 652 A CB 0.993 20.050 19.000 0.095 0.000 1.229 652 A HN 0.920 nan 8.150 nan 0.000 0.431 653 D N 1.226 121.601 120.400 -0.041 0.000 2.671 653 D HA 0.408 5.046 4.640 -0.004 0.000 0.232 653 D C -1.348 174.918 176.300 -0.057 0.000 1.114 653 D CA -0.357 53.627 54.000 -0.026 0.000 0.858 653 D CB 0.895 41.733 40.800 0.064 0.000 1.544 653 D HN 0.333 nan 8.370 nan 0.000 0.471 654 Y N 0.463 120.784 120.300 0.036 0.000 2.359 654 Y HA 0.216 4.763 4.550 -0.004 0.000 0.330 654 Y C 1.335 177.238 175.900 0.004 0.000 1.143 654 Y CA 0.066 58.171 58.100 0.008 0.000 1.318 654 Y CB 1.238 39.690 38.460 -0.013 0.000 1.234 654 Y HN 0.303 nan 8.280 nan 0.000 0.522 655 S N 4.434 120.225 115.700 0.153 0.000 2.430 655 S HA 0.149 4.617 4.470 -0.004 0.000 0.289 655 S C -0.413 174.216 174.600 0.048 0.000 1.143 655 S CA -0.695 57.560 58.200 0.092 0.000 1.067 655 S CB 0.051 63.294 63.200 0.073 0.000 0.964 655 S HN 0.706 nan 8.310 nan 0.000 0.485 656 Q N 2.838 122.662 119.800 0.040 0.000 2.452 656 Q HA -0.213 4.125 4.340 -0.004 0.000 0.318 656 Q C 0.589 176.511 176.000 -0.130 0.000 1.386 656 Q CA 0.691 56.486 55.803 -0.013 0.000 0.872 656 Q CB -2.123 26.653 28.738 0.064 0.000 1.151 656 Q HN 0.904 nan 8.270 nan 0.000 0.417 657 I N -0.718 119.793 120.570 -0.099 0.000 2.315 657 I HA -0.252 3.915 4.170 -0.004 0.000 0.248 657 I C 2.021 178.014 176.117 -0.205 0.000 1.117 657 I CA 1.336 62.515 61.300 -0.202 0.000 1.404 657 I CB 0.270 38.118 38.000 -0.255 0.000 1.071 657 I HN 0.371 nan 8.210 nan 0.000 0.419 658 E N 0.682 120.800 120.200 -0.136 0.000 2.038 658 E HA -0.260 4.087 4.350 -0.004 0.000 0.195 658 E C 2.252 178.781 176.600 -0.119 0.000 1.000 658 E CA 1.553 57.884 56.400 -0.115 0.000 0.803 658 E CB -0.271 29.373 29.700 -0.092 0.000 0.750 658 E HN 0.500 nan 8.360 nan 0.000 0.448 659 L N 0.505 121.671 121.223 -0.096 0.000 2.131 659 L HA -0.178 4.160 4.340 -0.004 0.000 0.210 659 L C 2.609 179.426 176.870 -0.089 0.000 1.092 659 L CA 1.078 55.918 54.840 -0.001 0.000 0.759 659 L CB -0.261 41.911 42.059 0.188 0.000 0.903 659 L HN 0.061 nan 8.230 nan 0.000 0.435 660 R N -0.915 119.306 120.500 -0.465 0.000 2.092 660 R HA -0.102 4.236 4.340 -0.004 0.000 0.231 660 R C 2.255 178.391 176.300 -0.274 0.000 1.119 660 R CA 0.942 56.634 56.100 -0.681 0.000 0.970 660 R CB -0.313 29.522 30.300 -0.775 0.000 0.864 660 R HN 0.147 nan 8.270 nan 0.000 0.440 661 V N 1.310 121.091 119.914 -0.222 0.000 2.343 661 V HA -0.227 3.890 4.120 -0.004 0.000 0.247 661 V C 2.152 178.192 176.094 -0.090 0.000 1.051 661 V CA 1.506 63.716 62.300 -0.149 0.000 1.036 661 V CB -0.399 31.328 31.823 -0.160 0.000 0.654 661 V HN 0.253 nan 8.190 nan 0.000 0.451 662 L N 0.981 122.142 121.223 -0.104 0.000 2.012 662 L HA -0.124 4.214 4.340 -0.004 0.000 0.210 662 L C 2.453 179.274 176.870 -0.082 0.000 1.073 662 L CA 2.479 57.242 54.840 -0.128 0.000 0.748 662 L CB -0.994 41.026 42.059 -0.065 0.000 0.891 662 L HN 0.225 nan 8.230 nan 0.000 0.431 663 A N -1.259 121.576 122.820 0.024 0.000 1.908 663 A HA -0.329 3.989 4.320 -0.004 0.000 0.218 663 A C 2.277 179.886 177.584 0.040 0.000 1.181 663 A CA 1.981 54.073 52.037 0.092 0.000 0.627 663 A CB -1.124 18.028 19.000 0.255 0.000 0.818 663 A HN 0.771 nan 8.150 nan 0.000 0.445 664 H N -0.252 118.776 119.070 -0.069 0.000 2.270 664 H HA -0.044 4.510 4.556 -0.004 0.000 0.299 664 H C 1.796 177.066 175.328 -0.097 0.000 1.077 664 H CA 2.152 58.154 56.048 -0.077 0.000 1.294 664 H CB -0.274 29.427 29.762 -0.102 0.000 1.371 664 H HN 0.387 nan 8.280 nan 0.000 0.491 665 I N 0.222 120.725 120.570 -0.112 0.000 2.286 665 I HA -0.241 3.926 4.170 -0.004 0.000 0.248 665 I C 2.507 178.458 176.117 -0.277 0.000 1.115 665 I CA 1.176 62.345 61.300 -0.219 0.000 1.392 665 I CB -0.379 37.452 38.000 -0.282 0.000 1.065 665 I HN 0.473 nan 8.210 nan 0.000 0.418 666 A N -0.457 122.190 122.820 -0.289 0.000 2.123 666 A HA -0.056 4.261 4.320 -0.004 0.000 0.214 666 A C 1.092 178.650 177.584 -0.044 0.000 1.152 666 A CA 0.252 52.208 52.037 -0.134 0.000 0.728 666 A CB -0.251 18.704 19.000 -0.075 0.000 0.814 666 A HN 0.502 nan 8.150 nan 0.000 0.464 667 E N 0.447 120.597 120.200 -0.083 0.000 2.360 667 E HA -0.190 4.158 4.350 -0.004 0.000 0.238 667 E C -0.562 176.044 176.600 0.010 0.000 1.186 667 E CA 0.644 57.010 56.400 -0.055 0.000 0.719 667 E CB -1.320 28.337 29.700 -0.071 0.000 1.236 667 E HN 0.733 nan 8.360 nan 0.000 0.386 668 D N 0.551 120.981 120.400 0.050 0.000 2.343 668 D HA -0.013 4.624 4.640 -0.004 0.000 0.255 668 D C 0.780 177.136 176.300 0.092 0.000 1.187 668 D CA -0.132 53.927 54.000 0.099 0.000 0.875 668 D CB 0.747 41.653 40.800 0.176 0.000 1.136 668 D HN 0.035 nan 8.370 nan 0.000 0.469 669 D N 3.420 123.856 120.400 0.060 0.000 2.123 669 D HA -0.199 4.439 4.640 -0.004 0.000 0.196 669 D C 1.472 177.798 176.300 0.043 0.000 0.992 669 D CA 1.012 55.035 54.000 0.039 0.000 0.833 669 D CB 0.130 40.936 40.800 0.010 0.000 0.954 669 D HN 0.493 nan 8.370 nan 0.000 0.455 670 N N 0.417 119.142 118.700 0.042 0.000 2.106 670 N HA -0.126 4.611 4.740 -0.004 0.000 0.188 670 N C 1.732 177.318 175.510 0.128 0.000 1.029 670 N CA 0.516 53.574 53.050 0.014 0.000 0.848 670 N CB -0.372 38.013 38.487 -0.169 0.000 1.007 670 N HN 0.023 nan 8.380 nan 0.000 0.423 671 L N 0.376 121.760 121.223 0.269 0.000 2.131 671 L HA 0.070 4.408 4.340 -0.004 0.000 0.210 671 L C 2.100 179.051 176.870 0.134 0.000 1.092 671 L CA 1.422 56.371 54.840 0.182 0.000 0.759 671 L CB -0.440 41.708 42.059 0.148 0.000 0.903 671 L HN 0.298 nan 8.230 nan 0.000 0.435 672 M N -1.401 118.291 119.600 0.152 0.000 2.200 672 M HA -0.151 4.327 4.480 -0.004 0.000 0.265 672 M C 2.100 178.475 176.300 0.125 0.000 1.066 672 M CA 1.477 56.878 55.300 0.168 0.000 1.127 672 M CB -0.250 32.416 32.600 0.110 0.000 1.379 672 M HN 0.199 nan 8.290 nan 0.000 0.420 673 E N 1.054 121.294 120.200 0.067 0.000 2.072 673 E HA -0.115 4.233 4.350 -0.004 0.000 0.191 673 E C 1.842 178.449 176.600 0.011 0.000 0.985 673 E CA 1.791 58.212 56.400 0.035 0.000 0.801 673 E CB -0.149 29.556 29.700 0.009 0.000 0.750 673 E HN 0.366 nan 8.360 nan 0.000 0.452 674 A N -0.160 122.635 122.820 -0.042 0.000 1.883 674 A HA -0.156 4.162 4.320 -0.004 0.000 0.217 674 A C 2.036 179.523 177.584 -0.161 0.000 1.186 674 A CA 1.618 53.566 52.037 -0.149 0.000 0.624 674 A CB -0.962 17.872 19.000 -0.276 0.000 0.822 674 A HN 0.380 nan 8.150 nan 0.000 0.444 675 F N -0.403 119.557 119.950 0.018 0.000 2.325 675 F HA 0.026 4.551 4.527 -0.004 0.000 0.299 675 F C 2.430 178.237 175.800 0.011 0.000 1.090 675 F CA 1.048 59.052 58.000 0.007 0.000 1.392 675 F CB -0.323 38.678 39.000 0.002 0.000 1.053 675 F HN 0.115 nan 8.300 nan 0.000 0.521 676 R N -0.196 120.410 120.500 0.176 0.000 2.148 676 R HA -0.031 4.306 4.340 -0.004 0.000 0.227 676 R C 1.746 178.092 176.300 0.075 0.000 1.103 676 R CA 0.816 56.982 56.100 0.110 0.000 0.983 676 R CB -0.140 30.207 30.300 0.078 0.000 0.874 676 R HN 0.207 nan 8.270 nan 0.000 0.451 677 R N 0.281 120.814 120.500 0.056 0.000 2.317 677 R HA -0.005 4.332 4.340 -0.004 0.000 0.208 677 R C -0.190 176.133 176.300 0.040 0.000 0.914 677 R CA 0.104 56.223 56.100 0.032 0.000 1.060 677 R CB 0.140 30.443 30.300 0.005 0.000 1.015 677 R HN 0.046 nan 8.270 nan 0.000 0.498 678 D N 1.220 121.667 120.400 0.079 0.000 2.686 678 D HA -0.181 4.457 4.640 -0.004 0.000 0.235 678 D C -0.745 175.583 176.300 0.046 0.000 1.160 678 D CA 0.557 54.617 54.000 0.100 0.000 0.645 678 D CB -0.881 39.968 40.800 0.082 0.000 1.039 678 D HN 0.202 nan 8.370 nan 0.000 0.423 679 L N 0.088 121.305 121.223 -0.009 0.000 2.453 679 L HA 0.194 4.531 4.340 -0.004 0.000 0.261 679 L C 1.180 178.016 176.870 -0.056 0.000 1.179 679 L CA -0.426 54.388 54.840 -0.043 0.000 0.813 679 L CB 0.429 42.438 42.059 -0.084 0.000 1.110 679 L HN 0.143 nan 8.230 nan 0.000 0.466 680 D N 1.634 122.013 120.400 -0.036 0.000 2.342 680 D HA -0.034 4.604 4.640 -0.004 0.000 0.260 680 D C 0.885 177.125 176.300 -0.100 0.000 1.278 680 D CA -0.125 53.855 54.000 -0.032 0.000 0.910 680 D CB 0.967 41.775 40.800 0.014 0.000 1.079 680 D HN 0.389 nan 8.370 nan 0.000 0.496 681 I N 5.495 125.940 120.570 -0.208 0.000 2.264 681 I HA -0.295 3.873 4.170 -0.004 0.000 0.248 681 I C 1.855 177.837 176.117 -0.226 0.000 1.111 681 I CA 1.604 62.709 61.300 -0.326 0.000 1.382 681 I CB -0.203 37.541 38.000 -0.427 0.000 1.060 681 I HN 0.516 nan 8.210 nan 0.000 0.418 682 H N -0.817 118.272 119.070 0.031 0.000 2.395 682 H HA -0.006 4.548 4.556 -0.004 0.000 0.299 682 H C 2.227 177.596 175.328 0.067 0.000 1.070 682 H CA 1.767 57.853 56.048 0.063 0.000 1.356 682 H CB -0.891 28.924 29.762 0.087 0.000 1.401 682 H HN 0.303 nan 8.280 nan 0.000 0.524 683 T N 1.179 115.821 114.554 0.148 0.000 2.777 683 T HA -0.126 4.222 4.350 -0.004 0.000 0.266 683 T C 2.118 176.862 174.700 0.074 0.000 1.040 683 T CA 1.669 63.834 62.100 0.110 0.000 1.141 683 T CB 0.091 69.004 68.868 0.074 0.000 0.868 683 T HN 0.189 nan 8.240 nan 0.000 0.444 684 K N 1.282 121.701 120.400 0.032 0.000 2.057 684 K HA -0.051 4.266 4.320 -0.004 0.000 0.207 684 K C 2.223 178.853 176.600 0.051 0.000 1.049 684 K CA 1.713 58.007 56.287 0.012 0.000 0.931 684 K CB -0.966 31.511 32.500 -0.038 0.000 0.714 684 K HN 0.181 nan 8.250 nan 0.000 0.440 685 T N 0.421 115.035 114.554 0.100 0.000 2.788 685 T HA -0.082 4.265 4.350 -0.004 0.000 0.268 685 T C 1.778 176.495 174.700 0.028 0.000 1.044 685 T CA 1.373 63.573 62.100 0.167 0.000 1.139 685 T CB -0.477 68.519 68.868 0.212 0.000 0.867 685 T HN 0.418 nan 8.240 nan 0.000 0.454 686 A N 1.226 124.074 122.820 0.046 0.000 1.898 686 A HA -0.027 4.291 4.320 -0.004 0.000 0.216 686 A C 2.318 179.909 177.584 0.012 0.000 1.181 686 A CA 1.414 53.462 52.037 0.019 0.000 0.620 686 A CB -0.644 18.515 19.000 0.264 0.000 0.819 686 A HN 0.450 nan 8.150 nan 0.000 0.442 687 M N -0.471 119.153 119.600 0.040 0.000 2.108 687 M HA -0.176 4.302 4.480 -0.004 0.000 0.261 687 M C 1.499 177.765 176.300 -0.056 0.000 1.066 687 M CA 1.761 57.073 55.300 0.021 0.000 1.107 687 M CB -0.487 32.115 32.600 0.004 0.000 1.356 687 M HN 0.321 nan 8.290 nan 0.000 0.406 688 D N 0.473 120.802 120.400 -0.118 0.000 2.123 688 D HA -0.079 4.559 4.640 -0.004 0.000 0.200 688 D C 1.889 178.043 176.300 -0.244 0.000 0.976 688 D CA 1.363 55.239 54.000 -0.206 0.000 0.831 688 D CB -0.322 40.281 40.800 -0.329 0.000 0.974 688 D HN 0.541 nan 8.370 nan 0.000 0.469 689 I N -2.642 117.729 120.570 -0.331 0.000 2.500 689 I HA -0.071 4.097 4.170 -0.004 0.000 0.252 689 I C 1.250 177.092 176.117 -0.458 0.000 1.142 689 I CA 0.991 62.022 61.300 -0.449 0.000 1.451 689 I CB -0.298 37.348 38.000 -0.590 0.000 1.093 689 I HN -0.251 nan 8.210 nan 0.000 0.430 690 F N 1.563 121.453 119.950 -0.100 0.000 2.727 690 F HA 0.306 4.831 4.527 -0.004 0.000 0.302 690 F C 0.703 176.454 175.800 -0.081 0.000 1.097 690 F CA -0.678 57.257 58.000 -0.109 0.000 1.330 690 F CB -0.755 38.193 39.000 -0.087 0.000 1.084 690 F HN 0.147 nan 8.300 nan 0.000 0.578 691 Q N 0.707 120.525 119.800 0.030 0.000 2.453 691 Q HA -0.119 4.219 4.340 -0.004 0.000 0.330 691 Q C -0.681 175.335 176.000 0.026 0.000 1.417 691 Q CA 0.475 56.278 55.803 -0.001 0.000 0.902 691 Q CB -1.733 26.996 28.738 -0.016 0.000 1.154 691 Q HN 0.334 nan 8.270 nan 0.000 0.395 692 V N -3.283 116.656 119.914 0.042 0.000 3.160 692 V HA 0.869 4.987 4.120 -0.004 0.000 0.310 692 V C 0.402 176.510 176.094 0.023 0.000 1.181 692 V CA -0.448 61.875 62.300 0.037 0.000 1.047 692 V CB 2.165 34.025 31.823 0.061 0.000 1.068 692 V HN 0.382 nan 8.190 nan 0.000 0.441 693 S N -0.353 115.356 115.700 0.015 0.000 2.624 693 S HA 0.285 4.753 4.470 -0.004 0.000 0.263 693 S C 0.950 175.561 174.600 0.018 0.000 1.287 693 S CA 0.589 58.794 58.200 0.008 0.000 0.990 693 S CB 1.005 64.206 63.200 0.002 0.000 0.950 693 S HN 1.078 nan 8.310 nan 0.000 0.561 694 E N 0.411 120.620 120.200 0.013 0.000 2.118 694 E HA -0.273 4.075 4.350 -0.004 0.000 0.195 694 E C 1.318 177.931 176.600 0.022 0.000 0.992 694 E CA 1.706 58.119 56.400 0.021 0.000 0.804 694 E CB -0.314 29.394 29.700 0.013 0.000 0.741 694 E HN 0.848 nan 8.360 nan 0.000 0.458 695 D N 0.210 120.619 120.400 0.014 0.000 2.178 695 D HA -0.156 4.481 4.640 -0.004 0.000 0.201 695 D C 1.204 177.511 176.300 0.012 0.000 0.980 695 D CA 1.185 55.191 54.000 0.011 0.000 0.842 695 D CB 0.097 40.900 40.800 0.005 0.000 0.948 695 D HN 0.291 nan 8.370 nan 0.000 0.472 696 E N -0.642 119.567 120.200 0.015 0.000 2.489 696 E HA 0.056 4.404 4.350 -0.004 0.000 0.193 696 E C -0.117 176.496 176.600 0.021 0.000 1.057 696 E CA -0.172 56.236 56.400 0.013 0.000 0.866 696 E CB 0.880 30.586 29.700 0.011 0.000 0.916 696 E HN 0.100 nan 8.360 nan 0.000 0.500 697 V N 3.165 123.103 119.914 0.039 0.000 2.439 697 V HA 0.007 4.125 4.120 -0.004 0.000 0.271 697 V C 0.725 176.841 176.094 0.037 0.000 1.040 697 V CA -0.053 62.284 62.300 0.061 0.000 1.002 697 V CB 0.547 32.425 31.823 0.090 0.000 1.000 697 V HN 0.232 nan 8.190 nan 0.000 0.477 698 T N 3.865 118.428 114.554 0.015 0.000 2.874 698 T HA 0.336 4.684 4.350 -0.004 0.000 0.281 698 T C -1.717 172.994 174.700 0.018 0.000 0.994 698 T CA -1.866 60.234 62.100 -0.000 0.000 1.015 698 T CB 1.406 70.253 68.868 -0.035 0.000 1.028 698 T HN 0.366 nan 8.240 nan 0.000 0.523 699 P HA -0.090 nan 4.420 nan 0.000 0.216 699 P C 1.401 178.714 177.300 0.023 0.000 1.150 699 P CA 0.878 63.990 63.100 0.020 0.000 0.843 699 P CB 0.007 31.711 31.700 0.007 0.000 0.787 700 N N -1.400 117.302 118.700 0.004 0.000 2.216 700 N HA -0.065 4.673 4.740 -0.004 0.000 0.183 700 N C 1.613 177.142 175.510 0.032 0.000 1.017 700 N CA 1.136 54.188 53.050 0.004 0.000 0.861 700 N CB -0.547 37.926 38.487 -0.024 0.000 0.986 700 N HN 0.037 nan 8.380 nan 0.000 0.428 701 M N -0.258 119.348 119.600 0.008 0.000 2.086 701 M HA -0.129 4.348 4.480 -0.004 0.000 0.261 701 M C 2.300 178.792 176.300 0.320 0.000 1.067 701 M CA 1.309 56.660 55.300 0.085 0.000 1.116 701 M CB -0.279 32.321 32.600 -0.001 0.000 1.348 701 M HN 0.130 nan 8.290 nan 0.000 0.407 702 R N 0.598 121.219 120.500 0.201 0.000 2.083 702 R HA -0.196 4.141 4.340 -0.004 0.000 0.237 702 R C 2.339 178.721 176.300 0.137 0.000 1.137 702 R CA 1.909 58.120 56.100 0.185 0.000 0.951 702 R CB -0.305 30.073 30.300 0.130 0.000 0.851 702 R HN 0.263 nan 8.270 nan 0.000 0.434 703 R N 0.377 120.930 120.500 0.087 0.000 2.103 703 R HA -0.202 4.136 4.340 -0.004 0.000 0.242 703 R C 2.150 178.480 176.300 0.050 0.000 1.142 703 R CA 2.217 58.335 56.100 0.029 0.000 0.960 703 R CB -0.130 30.176 30.300 0.011 0.000 0.858 703 R HN 0.443 nan 8.270 nan 0.000 0.439 704 Q N -0.760 119.132 119.800 0.154 0.000 2.172 704 Q HA -0.026 4.311 4.340 -0.004 0.000 0.200 704 Q C 2.063 178.224 176.000 0.268 0.000 0.964 704 Q CA 1.217 57.157 55.803 0.228 0.000 0.855 704 Q CB 0.080 29.070 28.738 0.420 0.000 0.918 704 Q HN 0.450 nan 8.270 nan 0.000 0.444 705 A N 1.350 124.343 122.820 0.288 0.000 1.969 705 A HA -0.190 4.127 4.320 -0.004 0.000 0.218 705 A C 1.968 179.655 177.584 0.172 0.000 1.169 705 A CA 1.342 53.506 52.037 0.213 0.000 0.635 705 A CB -0.301 18.814 19.000 0.193 0.000 0.810 705 A HN 0.179 nan 8.150 nan 0.000 0.445 706 K N -0.142 120.300 120.400 0.070 0.000 2.026 706 K HA -0.098 4.220 4.320 -0.004 0.000 0.208 706 K C 2.146 178.763 176.600 0.029 0.000 1.048 706 K CA 1.248 57.439 56.287 -0.160 0.000 0.929 706 K CB -0.339 31.911 32.500 -0.417 0.000 0.713 706 K HN 0.348 nan 8.250 nan 0.000 0.439 707 A N 0.583 123.384 122.820 -0.032 0.000 1.933 707 A HA -0.108 4.210 4.320 -0.004 0.000 0.218 707 A C 2.188 179.776 177.584 0.007 0.000 1.175 707 A CA 1.590 53.574 52.037 -0.087 0.000 0.628 707 A CB -0.537 18.385 19.000 -0.129 0.000 0.814 707 A HN 0.195 nan 8.150 nan 0.000 0.444 708 V N 0.834 120.767 119.914 0.032 0.000 2.515 708 V HA -0.219 3.898 4.120 -0.004 0.000 0.250 708 V C 2.228 178.254 176.094 -0.114 0.000 1.058 708 V CA 1.942 64.224 62.300 -0.030 0.000 1.064 708 V CB -0.901 30.948 31.823 0.043 0.000 0.675 708 V HN 0.544 nan 8.190 nan 0.000 0.461 709 N N -0.076 118.628 118.700 0.006 0.000 2.166 709 N HA -0.105 4.633 4.740 -0.004 0.000 0.186 709 N C 1.738 177.172 175.510 -0.126 0.000 1.019 709 N CA 1.445 54.469 53.050 -0.043 0.000 0.856 709 N CB -0.389 38.193 38.487 0.158 0.000 0.993 709 N HN 0.484 nan 8.380 nan 0.000 0.426 710 F N 1.049 120.833 119.950 -0.276 0.000 2.075 710 F HA -0.092 4.433 4.527 -0.004 0.000 0.297 710 F C 2.627 178.071 175.800 -0.592 0.000 1.113 710 F CA 1.262 58.934 58.000 -0.546 0.000 1.218 710 F CB -0.762 37.970 39.000 -0.447 0.000 0.984 710 F HN 0.095 nan 8.300 nan 0.000 0.472 711 G N 0.488 109.227 108.800 -0.102 0.000 2.469 711 G HA2 -0.263 3.695 3.960 -0.004 0.000 0.219 711 G HA3 -0.263 3.695 3.960 -0.004 0.000 0.219 711 G C 1.611 176.442 174.900 -0.115 0.000 1.150 711 G CA 1.058 46.113 45.100 -0.075 0.000 0.763 711 G HN 0.221 nan 8.290 nan 0.000 0.561 712 I N 0.693 121.124 120.570 -0.232 0.000 2.315 712 I HA -0.084 4.084 4.170 -0.004 0.000 0.248 712 I C 2.893 178.954 176.117 -0.092 0.000 1.117 712 I CA 0.693 61.853 61.300 -0.233 0.000 1.404 712 I CB -0.917 36.779 38.000 -0.507 0.000 1.071 712 I HN 0.053 nan 8.210 nan 0.000 0.419 713 V N -0.141 119.673 119.914 -0.166 0.000 2.453 713 V HA -0.229 3.888 4.120 -0.004 0.000 0.247 713 V C 2.066 178.218 176.094 0.098 0.000 1.048 713 V CA 1.336 63.577 62.300 -0.098 0.000 1.049 713 V CB -0.650 31.012 31.823 -0.268 0.000 0.672 713 V HN 0.274 nan 8.190 nan 0.000 0.457 714 Y N 0.511 120.833 120.300 0.037 0.000 2.490 714 Y HA 0.479 5.027 4.550 -0.004 0.000 0.281 714 Y C 1.492 177.428 175.900 0.060 0.000 1.174 714 Y CA -0.236 57.899 58.100 0.058 0.000 1.295 714 Y CB -0.534 37.976 38.460 0.084 0.000 1.062 714 Y HN 0.307 nan 8.280 nan 0.000 0.522 715 G N 1.085 109.998 108.800 0.188 0.000 2.788 715 G HA2 -0.192 3.765 3.960 -0.004 0.000 0.301 715 G HA3 -0.192 3.765 3.960 -0.004 0.000 0.301 715 G C -0.505 174.461 174.900 0.110 0.000 1.000 715 G CA -0.744 44.438 45.100 0.136 0.000 1.267 715 G HN 0.169 nan 8.290 nan 0.000 0.578 716 I N 2.008 122.630 120.570 0.086 0.000 2.906 716 I HA 0.401 4.568 4.170 -0.004 0.000 0.302 716 I C 0.797 176.960 176.117 0.078 0.000 1.220 716 I CA 1.236 62.565 61.300 0.049 0.000 1.441 716 I CB 0.614 38.612 38.000 -0.004 0.000 1.336 716 I HN 1.237 nan 8.210 nan 0.000 0.565 717 S N 4.151 119.887 115.700 0.060 0.000 2.543 717 S HA 0.408 4.876 4.470 -0.004 0.000 0.271 717 S C 0.272 174.900 174.600 0.046 0.000 1.148 717 S CA -0.915 57.334 58.200 0.082 0.000 0.914 717 S CB 1.351 64.615 63.200 0.108 0.000 1.096 717 S HN 0.586 nan 8.310 nan 0.000 0.471 718 D N 1.316 121.716 120.400 -0.000 0.000 2.127 718 D HA -0.148 4.489 4.640 -0.004 0.000 0.190 718 D C 1.384 177.617 176.300 -0.113 0.000 1.000 718 D CA 2.100 56.033 54.000 -0.112 0.000 0.839 718 D CB -0.524 40.120 40.800 -0.260 0.000 0.955 718 D HN 0.711 nan 8.370 nan 0.000 0.446 719 Y N 0.783 121.099 120.300 0.027 0.000 2.128 719 Y HA -0.105 4.442 4.550 -0.004 0.000 0.284 719 Y C 2.724 178.622 175.900 -0.004 0.000 1.154 719 Y CA 1.484 59.592 58.100 0.013 0.000 1.149 719 Y CB -0.985 37.488 38.460 0.022 0.000 0.976 719 Y HN 0.035 nan 8.280 nan 0.000 0.505 720 G N -0.509 108.390 108.800 0.165 0.000 2.422 720 G HA2 -0.232 3.726 3.960 -0.004 0.000 0.218 720 G HA3 -0.232 3.726 3.960 -0.004 0.000 0.218 720 G C 1.637 176.563 174.900 0.043 0.000 1.146 720 G CA 1.073 46.230 45.100 0.095 0.000 0.769 720 G HN 0.332 nan 8.290 nan 0.000 0.547 721 L N 1.109 122.334 121.223 0.004 0.000 2.068 721 L HA 0.345 4.682 4.340 -0.004 0.000 0.204 721 L C 3.064 179.877 176.870 -0.096 0.000 1.076 721 L CA 1.938 56.742 54.840 -0.060 0.000 0.753 721 L CB -0.771 41.232 42.059 -0.094 0.000 0.910 721 L HN 0.206 nan 8.230 nan 0.000 0.439 722 A N -0.988 121.783 122.820 -0.081 0.000 1.908 722 A HA -0.271 4.046 4.320 -0.004 0.000 0.218 722 A C 2.301 179.858 177.584 -0.046 0.000 1.181 722 A CA 1.898 53.883 52.037 -0.086 0.000 0.627 722 A CB -0.741 18.222 19.000 -0.061 0.000 0.818 722 A HN 0.601 nan 8.150 nan 0.000 0.445 723 Q N -0.012 119.788 119.800 -0.000 0.000 2.079 723 Q HA -0.167 4.171 4.340 -0.004 0.000 0.200 723 Q C 2.003 177.996 176.000 -0.012 0.000 0.974 723 Q CA 1.633 57.444 55.803 0.014 0.000 0.840 723 Q CB -0.447 28.318 28.738 0.046 0.000 0.898 723 Q HN 0.781 nan 8.270 nan 0.000 0.430 724 N N 0.042 118.726 118.700 -0.028 0.000 2.244 724 N HA -0.093 4.645 4.740 -0.004 0.000 0.183 724 N C 1.549 177.011 175.510 -0.080 0.000 1.016 724 N CA 0.696 53.715 53.050 -0.051 0.000 0.866 724 N CB 0.098 38.549 38.487 -0.059 0.000 0.980 724 N HN 0.255 nan 8.380 nan 0.000 0.430 725 L N 0.452 121.613 121.223 -0.104 0.000 2.607 725 L HA 0.165 4.502 4.340 -0.004 0.000 0.228 725 L C -0.257 176.560 176.870 -0.087 0.000 1.123 725 L CA -0.051 54.718 54.840 -0.119 0.000 0.890 725 L CB -0.085 41.851 42.059 -0.205 0.000 1.103 725 L HN 0.065 nan 8.230 nan 0.000 0.468 726 N N 1.969 120.632 118.700 -0.062 0.000 2.708 726 N HA -0.172 4.566 4.740 -0.004 0.000 0.255 726 N C -0.572 174.912 175.510 -0.043 0.000 1.046 726 N CA 1.219 54.248 53.050 -0.035 0.000 0.715 726 N CB -1.428 37.047 38.487 -0.020 0.000 0.895 726 N HN 0.527 nan 8.380 nan 0.000 0.545 727 I N -4.763 115.770 120.570 -0.061 0.000 3.279 727 I HA 0.594 4.762 4.170 -0.004 0.000 0.315 727 I C 0.314 176.403 176.117 -0.047 0.000 1.187 727 I CA -1.048 60.215 61.300 -0.062 0.000 0.953 727 I CB 1.986 39.912 38.000 -0.124 0.000 1.279 727 I HN -0.037 nan 8.210 nan 0.000 0.465 728 S N 0.424 116.106 115.700 -0.030 0.000 2.593 728 S HA 0.339 4.806 4.470 -0.004 0.000 0.269 728 S C 1.046 175.619 174.600 -0.046 0.000 1.334 728 S CA -0.286 57.900 58.200 -0.022 0.000 1.015 728 S CB 0.973 64.171 63.200 -0.003 0.000 0.912 728 S HN 0.730 nan 8.310 nan 0.000 0.541 729 R N 1.674 122.136 120.500 -0.063 0.000 2.081 729 R HA -0.077 4.261 4.340 -0.004 0.000 0.235 729 R C 2.307 178.565 176.300 -0.071 0.000 1.131 729 R CA 1.558 57.590 56.100 -0.114 0.000 0.960 729 R CB -0.285 29.884 30.300 -0.219 0.000 0.856 729 R HN 0.683 nan 8.270 nan 0.000 0.436 730 K N 1.380 121.756 120.400 -0.039 0.000 2.113 730 K HA -0.216 4.101 4.320 -0.004 0.000 0.208 730 K C 1.532 178.158 176.600 0.044 0.000 1.047 730 K CA 1.787 58.073 56.287 -0.001 0.000 0.928 730 K CB 0.101 32.605 32.500 0.007 0.000 0.716 730 K HN 0.287 nan 8.250 nan 0.000 0.446 731 E N -0.117 120.113 120.200 0.051 0.000 2.076 731 E HA -0.121 4.227 4.350 -0.004 0.000 0.190 731 E C 2.085 178.783 176.600 0.163 0.000 0.979 731 E CA 0.790 57.271 56.400 0.135 0.000 0.807 731 E CB -0.106 29.654 29.700 0.100 0.000 0.761 731 E HN 0.410 nan 8.360 nan 0.000 0.454 732 A N 1.979 124.791 122.820 -0.014 0.000 1.877 732 A HA -0.122 4.196 4.320 -0.004 0.000 0.216 732 A C 2.466 180.089 177.584 0.064 0.000 1.186 732 A CA 1.757 53.750 52.037 -0.072 0.000 0.620 732 A CB -0.705 18.224 19.000 -0.117 0.000 0.822 732 A HN 0.280 nan 8.150 nan 0.000 0.443 733 A N -0.671 122.177 122.820 0.046 0.000 2.019 733 A HA -0.142 4.175 4.320 -0.004 0.000 0.219 733 A C 1.913 179.569 177.584 0.120 0.000 1.164 733 A CA 2.084 54.160 52.037 0.064 0.000 0.644 733 A CB -0.420 18.599 19.000 0.032 0.000 0.805 733 A HN 0.570 nan 8.150 nan 0.000 0.449 734 E N -0.829 119.475 120.200 0.174 0.000 2.047 734 E HA -0.104 4.243 4.350 -0.004 0.000 0.191 734 E C 1.489 178.212 176.600 0.204 0.000 0.987 734 E CA 1.271 57.782 56.400 0.185 0.000 0.799 734 E CB -0.325 29.508 29.700 0.222 0.000 0.752 734 E HN 0.567 nan 8.360 nan 0.000 0.449 735 F N 0.380 120.345 119.950 0.025 0.000 2.084 735 F HA -0.084 4.441 4.527 -0.004 0.000 0.296 735 F C 2.164 177.946 175.800 -0.029 0.000 1.111 735 F CA 1.072 59.079 58.000 0.012 0.000 1.224 735 F CB -0.609 38.402 39.000 0.017 0.000 0.991 735 F HN 0.053 nan 8.300 nan 0.000 0.471 736 I N -0.097 120.556 120.570 0.138 0.000 2.151 736 I HA -0.323 3.845 4.170 -0.004 0.000 0.243 736 I C 2.471 178.539 176.117 -0.082 0.000 1.080 736 I CA 1.861 63.104 61.300 -0.095 0.000 1.339 736 I CB -0.568 37.379 38.000 -0.089 0.000 1.039 736 I HN 0.122 nan 8.210 nan 0.000 0.409 737 E N 1.465 121.709 120.200 0.074 0.000 2.049 737 E HA -0.292 4.055 4.350 -0.004 0.000 0.198 737 E C 2.208 178.874 176.600 0.110 0.000 1.007 737 E CA 1.729 58.214 56.400 0.141 0.000 0.809 737 E CB -0.142 29.627 29.700 0.115 0.000 0.749 737 E HN 0.120 nan 8.360 nan 0.000 0.450 738 R N -1.012 119.514 120.500 0.044 0.000 2.096 738 R HA -0.105 4.233 4.340 -0.004 0.000 0.235 738 R C 2.246 178.540 176.300 -0.010 0.000 1.127 738 R CA 1.579 57.669 56.100 -0.017 0.000 0.968 738 R CB -1.005 29.230 30.300 -0.108 0.000 0.861 738 R HN 0.426 nan 8.270 nan 0.000 0.440 739 Y N -0.480 119.765 120.300 -0.092 0.000 2.128 739 Y HA -0.229 4.319 4.550 -0.004 0.000 0.284 739 Y C 1.473 177.446 175.900 0.122 0.000 1.154 739 Y CA 1.687 59.773 58.100 -0.023 0.000 1.149 739 Y CB -0.297 38.062 38.460 -0.169 0.000 0.976 739 Y HN 0.004 nan 8.280 nan 0.000 0.505 740 F N 0.810 120.935 119.950 0.292 0.000 2.365 740 F HA -0.097 4.428 4.527 -0.004 0.000 0.300 740 F C 2.232 178.049 175.800 0.029 0.000 1.090 740 F CA 1.233 59.352 58.000 0.198 0.000 1.408 740 F CB -0.771 38.347 39.000 0.197 0.000 1.060 740 F HN 0.201 nan 8.300 nan 0.000 0.534 741 E N -0.596 119.684 120.200 0.134 0.000 2.107 741 E HA -0.119 4.228 4.350 -0.004 0.000 0.191 741 E C 2.212 178.732 176.600 -0.134 0.000 0.982 741 E CA 1.347 57.751 56.400 0.006 0.000 0.809 741 E CB -0.124 29.562 29.700 -0.023 0.000 0.756 741 E HN 0.209 nan 8.360 nan 0.000 0.459 742 S N -0.063 115.460 115.700 -0.295 0.000 2.446 742 S HA 0.031 4.498 4.470 -0.004 0.000 0.225 742 S C 0.310 174.355 174.600 -0.925 0.000 1.016 742 S CA 0.520 58.332 58.200 -0.647 0.000 0.943 742 S CB 0.182 62.852 63.200 -0.884 0.000 0.786 742 S HN 0.114 nan 8.310 nan 0.000 0.508 743 F N 1.464 121.270 119.950 -0.239 0.000 2.542 743 F HA 0.354 4.879 4.527 -0.004 0.000 0.323 743 F C -1.868 173.959 175.800 0.044 0.000 1.411 743 F CA -2.363 55.547 58.000 -0.151 0.000 1.124 743 F CB 0.960 39.760 39.000 -0.333 0.000 1.331 743 F HN -0.020 nan 8.300 nan 0.000 0.560 744 P HA -0.161 nan 4.420 nan 0.000 0.218 744 P C 1.755 179.121 177.300 0.110 0.000 1.148 744 P CA 1.589 64.751 63.100 0.102 0.000 0.822 744 P CB 0.319 32.038 31.700 0.031 0.000 0.784 745 G N 0.417 109.295 108.800 0.130 0.000 2.418 745 G HA2 -0.205 3.752 3.960 -0.004 0.000 0.217 745 G HA3 -0.205 3.752 3.960 -0.004 0.000 0.217 745 G C 1.758 176.766 174.900 0.179 0.000 1.158 745 G CA 0.700 45.874 45.100 0.124 0.000 0.771 745 G HN 0.179 nan 8.290 nan 0.000 0.545 746 V N 0.767 120.843 119.914 0.269 0.000 2.407 746 V HA -0.168 3.949 4.120 -0.004 0.000 0.248 746 V C 2.692 178.968 176.094 0.304 0.000 1.055 746 V CA 2.253 64.766 62.300 0.355 0.000 1.049 746 V CB -0.360 31.770 31.823 0.511 0.000 0.662 746 V HN 0.424 nan 8.190 nan 0.000 0.455 747 K N 0.175 120.668 120.400 0.156 0.000 2.026 747 K HA -0.223 4.095 4.320 -0.004 0.000 0.208 747 K C 2.434 178.918 176.600 -0.194 0.000 1.048 747 K CA 1.677 57.751 56.287 -0.356 0.000 0.929 747 K CB -0.191 32.014 32.500 -0.493 0.000 0.713 747 K HN 0.299 nan 8.250 nan 0.000 0.439 748 R N -0.297 120.175 120.500 -0.046 0.000 2.091 748 R HA -0.216 4.122 4.340 -0.004 0.000 0.238 748 R C 2.355 178.660 176.300 0.008 0.000 1.136 748 R CA 1.824 57.909 56.100 -0.025 0.000 0.959 748 R CB -0.463 29.847 30.300 0.016 0.000 0.856 748 R HN 0.349 nan 8.270 nan 0.000 0.437 749 Y N 0.717 121.002 120.300 -0.024 0.000 2.145 749 Y HA -0.217 4.330 4.550 -0.004 0.000 0.286 749 Y C 2.100 177.991 175.900 -0.014 0.000 1.145 749 Y CA 1.693 59.789 58.100 -0.008 0.000 1.148 749 Y CB -0.179 38.294 38.460 0.023 0.000 0.981 749 Y HN -0.001 nan 8.280 nan 0.000 0.507 750 M N 0.683 120.154 119.600 -0.216 0.000 2.108 750 M HA -0.218 4.259 4.480 -0.004 0.000 0.261 750 M C 1.945 178.083 176.300 -0.270 0.000 1.066 750 M CA 1.794 56.921 55.300 -0.288 0.000 1.107 750 M CB -1.224 31.334 32.600 -0.069 0.000 1.356 750 M HN 0.446 nan 8.290 nan 0.000 0.406 751 E N -0.120 119.953 120.200 -0.211 0.000 2.047 751 E HA -0.153 4.194 4.350 -0.004 0.000 0.191 751 E C 1.848 178.355 176.600 -0.155 0.000 0.987 751 E CA 0.940 57.244 56.400 -0.159 0.000 0.799 751 E CB -0.170 29.451 29.700 -0.133 0.000 0.752 751 E HN 0.497 nan 8.360 nan 0.000 0.449 752 N N 0.985 119.589 118.700 -0.161 0.000 2.188 752 N HA -0.130 4.608 4.740 -0.004 0.000 0.184 752 N C 1.833 177.237 175.510 -0.177 0.000 1.018 752 N CA 0.657 53.629 53.050 -0.131 0.000 0.858 752 N CB -0.197 38.247 38.487 -0.072 0.000 0.989 752 N HN 0.098 nan 8.380 nan 0.000 0.426 753 I N 0.666 121.043 120.570 -0.322 0.000 2.315 753 I HA -0.145 4.023 4.170 -0.004 0.000 0.248 753 I C 1.868 177.861 176.117 -0.206 0.000 1.117 753 I CA 0.739 61.851 61.300 -0.314 0.000 1.404 753 I CB -0.159 37.481 38.000 -0.599 0.000 1.071 753 I HN -0.154 nan 8.210 nan 0.000 0.419 754 V N 0.275 120.073 119.914 -0.193 0.000 2.358 754 V HA -0.315 3.802 4.120 -0.004 0.000 0.246 754 V C 2.449 178.487 176.094 -0.093 0.000 1.047 754 V CA 2.183 64.411 62.300 -0.119 0.000 1.035 754 V CB -0.774 30.991 31.823 -0.097 0.000 0.658 754 V HN 0.576 nan 8.190 nan 0.000 0.452 755 Q N -0.113 119.630 119.800 -0.096 0.000 2.119 755 Q HA -0.257 4.081 4.340 -0.004 0.000 0.201 755 Q C 2.276 178.227 176.000 -0.081 0.000 0.972 755 Q CA 1.994 57.753 55.803 -0.074 0.000 0.847 755 Q CB -0.093 28.605 28.738 -0.066 0.000 0.903 755 Q HN 0.768 nan 8.270 nan 0.000 0.433 756 E N -0.573 119.565 120.200 -0.103 0.000 2.152 756 E HA -0.151 4.196 4.350 -0.004 0.000 0.192 756 E C 1.740 178.246 176.600 -0.157 0.000 0.983 756 E CA 0.807 57.133 56.400 -0.122 0.000 0.818 756 E CB -0.086 29.541 29.700 -0.122 0.000 0.758 756 E HN 0.469 nan 8.360 nan 0.000 0.467 757 A N 1.381 124.121 122.820 -0.134 0.000 1.930 757 A HA -0.190 4.128 4.320 -0.004 0.000 0.217 757 A C 2.085 179.621 177.584 -0.080 0.000 1.175 757 A CA 1.612 53.577 52.037 -0.120 0.000 0.627 757 A CB -0.367 18.589 19.000 -0.073 0.000 0.815 757 A HN 0.173 nan 8.150 nan 0.000 0.443 758 K N -0.875 119.488 120.400 -0.061 0.000 2.103 758 K HA -0.127 4.191 4.320 -0.004 0.000 0.204 758 K C 2.312 178.893 176.600 -0.032 0.000 1.052 758 K CA 1.259 57.527 56.287 -0.031 0.000 0.945 758 K CB -0.121 32.363 32.500 -0.026 0.000 0.722 758 K HN 0.531 nan 8.250 nan 0.000 0.443 759 Q N 0.983 120.750 119.800 -0.056 0.000 2.062 759 Q HA -0.114 4.224 4.340 -0.004 0.000 0.196 759 Q C 1.450 177.415 176.000 -0.058 0.000 0.967 759 Q CA 1.489 57.263 55.803 -0.048 0.000 0.832 759 Q CB 0.212 28.917 28.738 -0.055 0.000 0.899 759 Q HN 0.245 nan 8.270 nan 0.000 0.442 760 K N -1.265 119.050 120.400 -0.142 0.000 2.186 760 K HA 0.060 4.378 4.320 -0.004 0.000 0.202 760 K C 1.169 177.723 176.600 -0.076 0.000 1.052 760 K CA 0.747 56.908 56.287 -0.210 0.000 0.965 760 K CB 0.349 32.475 32.500 -0.622 0.000 0.746 760 K HN 0.452 nan 8.250 nan 0.000 0.457 761 G N 0.835 109.600 108.800 -0.058 0.000 2.194 761 G HA2 -0.256 3.702 3.960 -0.004 0.000 0.236 761 G HA3 -0.256 3.702 3.960 -0.004 0.000 0.236 761 G C -0.091 174.960 174.900 0.252 0.000 0.987 761 G CA 0.500 45.692 45.100 0.153 0.000 0.635 761 G HN 0.378 nan 8.290 nan 0.000 0.520 762 Y N -1.738 118.571 120.300 0.015 0.000 2.705 762 Y HA 0.782 5.330 4.550 -0.003 0.000 0.332 762 Y C -0.295 175.548 175.900 -0.095 0.000 1.221 762 Y CA -1.306 56.724 58.100 -0.116 0.000 1.059 762 Y CB 0.944 39.133 38.460 -0.451 0.000 1.298 762 Y HN 1.006 nan 8.280 nan 0.000 0.459 763 V N -0.990 118.936 119.914 0.019 0.000 3.001 763 V HA 0.993 5.111 4.120 -0.004 0.000 0.314 763 V C -0.504 175.658 176.094 0.114 0.000 1.099 763 V CA -0.206 62.093 62.300 -0.003 0.000 0.989 763 V CB 1.306 33.130 31.823 0.002 0.000 1.040 763 V HN 1.395 nan 8.190 nan 0.000 0.434 764 T N -0.628 113.986 114.554 0.101 0.000 2.907 764 T HA 0.834 5.181 4.350 -0.004 0.000 0.290 764 T C 0.022 174.760 174.700 0.063 0.000 1.066 764 T CA -0.004 62.161 62.100 0.108 0.000 1.012 764 T CB 1.734 70.708 68.868 0.177 0.000 1.184 764 T HN 1.503 nan 8.240 nan 0.000 0.522 765 T N -0.568 114.002 114.554 0.027 0.000 2.922 765 T HA 0.503 4.851 4.350 -0.004 0.000 0.281 765 T C 1.228 175.882 174.700 -0.077 0.000 1.005 765 T CA -0.905 61.186 62.100 -0.014 0.000 0.982 765 T CB 0.729 69.580 68.868 -0.029 0.000 1.158 765 T HN 0.349 nan 8.240 nan 0.000 0.566 766 L N 0.002 121.164 121.223 -0.101 0.000 2.021 766 L HA 0.043 4.380 4.340 -0.004 0.000 0.215 766 L C 2.010 178.687 176.870 -0.321 0.000 1.074 766 L CA 1.775 56.518 54.840 -0.162 0.000 0.760 766 L CB -0.920 41.050 42.059 -0.149 0.000 0.889 766 L HN 0.667 nan 8.230 nan 0.000 0.433 767 L N -0.938 120.127 121.223 -0.264 0.000 2.653 767 L HA 0.101 4.439 4.340 -0.004 0.000 0.232 767 L C 0.168 176.887 176.870 -0.251 0.000 1.169 767 L CA -0.123 54.535 54.840 -0.303 0.000 0.951 767 L CB -0.496 41.493 42.059 -0.118 0.000 1.181 767 L HN 0.430 nan 8.230 nan 0.000 0.460 768 H N -1.452 117.619 119.070 0.002 0.000 3.049 768 H HA -0.152 4.402 4.556 -0.004 0.000 0.250 768 H C 0.887 176.199 175.328 -0.027 0.000 1.219 768 H CA 0.415 56.462 56.048 -0.002 0.000 1.117 768 H CB -1.177 28.585 29.762 -0.001 0.000 1.251 768 H HN 0.445 nan 8.280 nan 0.000 0.338 769 R N 1.722 122.241 120.500 0.032 0.000 2.594 769 R HA 0.369 4.706 4.340 -0.004 0.000 0.272 769 R C 0.708 176.985 176.300 -0.039 0.000 1.074 769 R CA -0.128 55.959 56.100 -0.021 0.000 1.105 769 R CB 0.805 31.084 30.300 -0.035 0.000 1.008 769 R HN 0.468 nan 8.270 nan 0.000 0.472 770 R N 2.004 122.436 120.500 -0.114 0.000 2.867 770 R HA 0.518 4.856 4.340 -0.004 0.000 0.268 770 R C -1.321 174.860 176.300 -0.199 0.000 1.014 770 R CA -1.117 54.892 56.100 -0.151 0.000 0.946 770 R CB 1.628 31.743 30.300 -0.308 0.000 1.208 770 R HN 0.559 nan 8.270 nan 0.000 0.477 771 R N 1.886 122.283 120.500 -0.173 0.000 2.538 771 R HA 0.289 4.627 4.340 -0.004 0.000 0.292 771 R C -1.570 174.656 176.300 -0.124 0.000 1.008 771 R CA -0.669 55.359 56.100 -0.119 0.000 0.896 771 R CB 1.321 31.606 30.300 -0.025 0.000 1.187 771 R HN 0.660 nan 8.270 nan 0.000 0.440 772 Y N 4.078 124.423 120.300 0.076 0.000 2.319 772 Y HA 0.284 4.832 4.550 -0.003 0.000 0.328 772 Y C 0.318 176.263 175.900 0.076 0.000 1.133 772 Y CA -0.214 57.951 58.100 0.108 0.000 1.265 772 Y CB 1.175 39.672 38.460 0.060 0.000 1.218 772 Y HN 0.389 nan 8.280 nan 0.000 0.508 773 L N 6.421 127.777 121.223 0.221 0.000 2.556 773 L HA 0.259 4.597 4.340 -0.004 0.000 0.243 773 L C -1.729 175.209 176.870 0.113 0.000 1.331 773 L CA -1.352 53.565 54.840 0.129 0.000 0.927 773 L CB 1.174 43.280 42.059 0.078 0.000 1.219 773 L HN 0.515 nan 8.230 nan 0.000 0.490 774 P HA -0.129 nan 4.420 nan 0.000 0.222 774 P C 0.399 177.732 177.300 0.055 0.000 1.147 774 P CA 0.995 64.142 63.100 0.077 0.000 0.790 774 P CB 0.438 32.174 31.700 0.059 0.000 0.780 775 D N -0.468 119.964 120.400 0.052 0.000 2.363 775 D HA -0.018 4.619 4.640 -0.004 0.000 0.226 775 D C 1.677 178.002 176.300 0.041 0.000 1.020 775 D CA 0.135 54.162 54.000 0.046 0.000 0.892 775 D CB -0.473 40.357 40.800 0.051 0.000 0.900 775 D HN 0.160 nan 8.370 nan 0.000 0.531 776 I N 1.035 121.629 120.570 0.040 0.000 2.850 776 I HA -0.179 3.989 4.170 -0.004 0.000 0.266 776 I C 1.762 177.890 176.117 0.020 0.000 1.257 776 I CA 1.204 62.518 61.300 0.024 0.000 1.465 776 I CB -0.099 37.913 38.000 0.019 0.000 1.091 776 I HN -0.043 nan 8.210 nan 0.000 0.467 777 T N -3.745 110.826 114.554 0.027 0.000 3.054 777 T HA 0.209 4.556 4.350 -0.004 0.000 0.255 777 T C 0.943 175.661 174.700 0.031 0.000 1.035 777 T CA 0.054 62.170 62.100 0.026 0.000 0.941 777 T CB -0.402 68.482 68.868 0.027 0.000 1.026 777 T HN 0.176 nan 8.240 nan 0.000 0.533 778 S N 1.004 116.724 115.700 0.034 0.000 2.560 778 S HA 0.219 4.687 4.470 -0.004 0.000 0.284 778 S C 1.014 175.643 174.600 0.048 0.000 1.327 778 S CA -0.505 57.719 58.200 0.040 0.000 1.055 778 S CB 0.540 63.766 63.200 0.044 0.000 0.868 778 S HN 0.354 nan 8.310 nan 0.000 0.506 779 R N 2.358 122.890 120.500 0.053 0.000 2.320 779 R HA 0.249 4.586 4.340 -0.004 0.000 0.211 779 R C 0.298 176.651 176.300 0.088 0.000 0.931 779 R CA 0.014 56.154 56.100 0.065 0.000 1.071 779 R CB -0.215 30.117 30.300 0.053 0.000 1.025 779 R HN 0.508 nan 8.270 nan 0.000 0.495 780 N N 0.518 119.270 118.700 0.086 0.000 2.426 780 N HA -0.048 4.690 4.740 -0.004 0.000 0.257 780 N C 0.396 175.986 175.510 0.133 0.000 1.002 780 N CA -0.098 53.017 53.050 0.109 0.000 0.942 780 N CB 0.454 38.993 38.487 0.086 0.000 1.112 780 N HN -0.027 nan 8.380 nan 0.000 0.499 781 F N 5.518 125.486 119.950 0.030 0.000 2.063 781 F HA -0.269 4.256 4.527 -0.004 0.000 0.298 781 F C 1.713 177.522 175.800 0.016 0.000 1.109 781 F CA 1.777 59.792 58.000 0.026 0.000 1.212 781 F CB -0.025 38.989 39.000 0.023 0.000 0.973 781 F HN 0.548 nan 8.300 nan 0.000 0.480 782 N N 0.363 119.093 118.700 0.049 0.000 2.084 782 N HA -0.151 4.587 4.740 -0.004 0.000 0.190 782 N C 2.044 177.531 175.510 -0.038 0.000 1.030 782 N CA 1.890 54.887 53.050 -0.089 0.000 0.849 782 N CB -0.782 37.725 38.487 0.035 0.000 1.012 782 N HN 0.266 nan 8.380 nan 0.000 0.423 783 V N 1.610 121.577 119.914 0.087 0.000 2.407 783 V HA -0.177 3.941 4.120 -0.004 0.000 0.248 783 V C 2.544 178.695 176.094 0.096 0.000 1.055 783 V CA 1.443 63.841 62.300 0.163 0.000 1.049 783 V CB -0.492 31.396 31.823 0.108 0.000 0.662 783 V HN 0.289 nan 8.190 nan 0.000 0.455 784 R N 0.067 120.563 120.500 -0.007 0.000 2.075 784 R HA -0.122 4.216 4.340 -0.004 0.000 0.232 784 R C 2.471 178.709 176.300 -0.104 0.000 1.126 784 R CA 1.648 57.723 56.100 -0.040 0.000 0.963 784 R CB -0.255 30.015 30.300 -0.050 0.000 0.858 784 R HN 0.481 nan 8.270 nan 0.000 0.435 785 S N 0.284 115.817 115.700 -0.278 0.000 2.399 785 S HA -0.109 4.359 4.470 -0.004 0.000 0.231 785 S C 1.418 175.925 174.600 -0.156 0.000 1.022 785 S CA 1.022 59.021 58.200 -0.336 0.000 0.983 785 S CB -0.274 62.543 63.200 -0.638 0.000 0.803 785 S HN 0.239 nan 8.310 nan 0.000 0.480 786 F N 2.018 121.901 119.950 -0.112 0.000 2.075 786 F HA -0.087 4.438 4.527 -0.004 0.000 0.297 786 F C 2.566 178.345 175.800 -0.035 0.000 1.113 786 F CA 0.788 58.755 58.000 -0.054 0.000 1.218 786 F CB -1.029 37.947 39.000 -0.039 0.000 0.984 786 F HN 0.180 nan 8.300 nan 0.000 0.472 787 A N -0.313 122.615 122.820 0.180 0.000 1.933 787 A HA -0.202 4.115 4.320 -0.004 0.000 0.218 787 A C 2.116 179.732 177.584 0.054 0.000 1.175 787 A CA 1.845 53.939 52.037 0.096 0.000 0.628 787 A CB -0.759 18.281 19.000 0.065 0.000 0.814 787 A HN 0.488 nan 8.150 nan 0.000 0.444 788 E N -0.375 119.838 120.200 0.020 0.000 2.072 788 E HA -0.185 4.162 4.350 -0.004 0.000 0.191 788 E C 2.320 178.930 176.600 0.016 0.000 0.985 788 E CA 1.069 57.466 56.400 -0.005 0.000 0.801 788 E CB -0.219 29.459 29.700 -0.037 0.000 0.750 788 E HN 0.565 nan 8.360 nan 0.000 0.452 789 R N 0.450 120.973 120.500 0.038 0.000 2.083 789 R HA -0.097 4.241 4.340 -0.004 0.000 0.237 789 R C 2.448 178.800 176.300 0.087 0.000 1.137 789 R CA 1.492 57.634 56.100 0.070 0.000 0.951 789 R CB -0.346 30.006 30.300 0.087 0.000 0.851 789 R HN 0.207 nan 8.270 nan 0.000 0.434 790 M N 0.323 119.978 119.600 0.093 0.000 2.149 790 M HA -0.162 4.316 4.480 -0.004 0.000 0.261 790 M C 2.552 178.889 176.300 0.061 0.000 1.064 790 M CA 1.800 57.149 55.300 0.082 0.000 1.102 790 M CB -0.395 32.253 32.600 0.079 0.000 1.369 790 M HN 0.263 nan 8.290 nan 0.000 0.408 791 A N 0.175 123.017 122.820 0.037 0.000 1.933 791 A HA -0.154 4.164 4.320 -0.004 0.000 0.218 791 A C 2.103 179.691 177.584 0.007 0.000 1.175 791 A CA 1.586 53.626 52.037 0.006 0.000 0.628 791 A CB -0.536 18.444 19.000 -0.033 0.000 0.814 791 A HN 0.488 nan 8.150 nan 0.000 0.444 792 M N -0.986 118.627 119.600 0.021 0.000 2.193 792 M HA -0.064 4.414 4.480 -0.004 0.000 0.265 792 M C 2.210 178.617 176.300 0.178 0.000 1.071 792 M CA 1.415 56.752 55.300 0.062 0.000 1.140 792 M CB -0.404 32.236 32.600 0.066 0.000 1.369 792 M HN 0.598 nan 8.290 nan 0.000 0.423 793 N N -0.045 118.740 118.700 0.142 0.000 2.207 793 N HA -0.102 4.636 4.740 -0.004 0.000 0.182 793 N C 1.387 176.968 175.510 0.118 0.000 1.020 793 N CA 1.567 54.706 53.050 0.149 0.000 0.858 793 N CB 0.077 38.657 38.487 0.156 0.000 0.991 793 N HN 0.193 nan 8.380 nan 0.000 0.427 794 T N 1.663 116.274 114.554 0.094 0.000 2.699 794 T HA -0.067 4.281 4.350 -0.004 0.000 0.268 794 T C -1.026 173.715 174.700 0.069 0.000 1.036 794 T CA 1.291 63.433 62.100 0.069 0.000 1.147 794 T CB -1.058 67.841 68.868 0.052 0.000 0.862 794 T HN 0.395 nan 8.240 nan 0.000 0.446 795 P HA 0.102 nan 4.420 nan 0.000 0.223 795 P C 1.179 178.510 177.300 0.051 0.000 1.151 795 P CA 0.745 63.901 63.100 0.093 0.000 0.787 795 P CB -0.110 31.699 31.700 0.182 0.000 0.788 796 I N -1.180 119.427 120.570 0.062 0.000 2.270 796 I HA -0.152 4.015 4.170 -0.004 0.000 0.239 796 I C 2.624 178.740 176.117 -0.001 0.000 1.080 796 I CA 1.081 62.389 61.300 0.012 0.000 1.383 796 I CB -0.583 37.435 38.000 0.030 0.000 1.097 796 I HN -0.097 nan 8.210 nan 0.000 0.420 797 Q N 1.116 120.933 119.800 0.029 0.000 2.124 797 Q HA -0.151 4.186 4.340 -0.004 0.000 0.202 797 Q C 2.168 178.174 176.000 0.010 0.000 0.977 797 Q CA 1.854 57.669 55.803 0.021 0.000 0.850 797 Q CB -0.205 28.557 28.738 0.039 0.000 0.901 797 Q HN 0.558 nan 8.270 nan 0.000 0.429 798 G N -0.377 108.433 108.800 0.015 0.000 2.421 798 G HA2 -0.217 3.741 3.960 -0.004 0.000 0.216 798 G HA3 -0.217 3.741 3.960 -0.004 0.000 0.216 798 G C 1.472 176.361 174.900 -0.018 0.000 1.171 798 G CA 0.870 45.975 45.100 0.008 0.000 0.775 798 G HN 0.332 nan 8.290 nan 0.000 0.543 799 S N 0.868 116.546 115.700 -0.036 0.000 2.402 799 S HA 0.071 4.539 4.470 -0.004 0.000 0.229 799 S C 2.706 177.241 174.600 -0.107 0.000 1.021 799 S CA 0.989 59.144 58.200 -0.075 0.000 0.974 799 S CB -0.218 62.931 63.200 -0.085 0.000 0.800 799 S HN 0.565 nan 8.310 nan 0.000 0.484 800 A N 1.319 124.079 122.820 -0.101 0.000 1.969 800 A HA 0.193 4.510 4.320 -0.004 0.000 0.218 800 A C 2.269 179.796 177.584 -0.095 0.000 1.169 800 A CA 1.494 53.447 52.037 -0.140 0.000 0.635 800 A CB -0.784 18.150 19.000 -0.110 0.000 0.810 800 A HN 0.496 nan 8.150 nan 0.000 0.445 801 A N 0.186 122.986 122.820 -0.034 0.000 1.897 801 A HA -0.115 4.203 4.320 -0.004 0.000 0.215 801 A C 1.750 179.328 177.584 -0.010 0.000 1.181 801 A CA 1.636 53.679 52.037 0.009 0.000 0.620 801 A CB -0.494 18.534 19.000 0.045 0.000 0.821 801 A HN 0.431 nan 8.150 nan 0.000 0.443 802 D N 0.380 120.762 120.400 -0.031 0.000 2.104 802 D HA -0.158 4.479 4.640 -0.004 0.000 0.194 802 D C 1.868 178.136 176.300 -0.054 0.000 0.994 802 D CA 1.371 55.349 54.000 -0.038 0.000 0.830 802 D CB -0.413 40.350 40.800 -0.062 0.000 0.959 802 D HN 0.533 nan 8.370 nan 0.000 0.452 803 I N 0.699 121.211 120.570 -0.097 0.000 2.179 803 I HA -0.222 3.945 4.170 -0.004 0.000 0.242 803 I C 2.586 178.677 176.117 -0.043 0.000 1.088 803 I CA 0.751 61.979 61.300 -0.119 0.000 1.357 803 I CB -0.145 37.702 38.000 -0.254 0.000 1.051 803 I HN -0.050 nan 8.210 nan 0.000 0.409 804 I N 0.681 121.240 120.570 -0.019 0.000 2.493 804 I HA -0.261 3.906 4.170 -0.004 0.000 0.254 804 I C 2.411 178.566 176.117 0.064 0.000 1.160 804 I CA 1.436 62.810 61.300 0.124 0.000 1.445 804 I CB -0.102 38.002 38.000 0.173 0.000 1.086 804 I HN 0.136 nan 8.210 nan 0.000 0.433 805 K N 0.555 120.967 120.400 0.020 0.000 2.057 805 K HA -0.232 4.086 4.320 -0.004 0.000 0.206 805 K C 2.146 178.746 176.600 0.001 0.000 1.050 805 K CA 1.447 57.735 56.287 0.002 0.000 0.935 805 K CB -0.114 32.386 32.500 0.000 0.000 0.715 805 K HN 0.226 nan 8.250 nan 0.000 0.439 806 K N 0.874 121.275 120.400 0.002 0.000 2.148 806 K HA -0.078 4.239 4.320 -0.004 0.000 0.204 806 K C 2.019 178.626 176.600 0.012 0.000 1.050 806 K CA 1.056 57.343 56.287 -0.000 0.000 0.942 806 K CB -0.027 32.467 32.500 -0.011 0.000 0.724 806 K HN 0.102 nan 8.250 nan 0.000 0.446 807 A N 1.151 123.995 122.820 0.040 0.000 1.902 807 A HA -0.163 4.154 4.320 -0.004 0.000 0.217 807 A C 2.103 179.698 177.584 0.019 0.000 1.181 807 A CA 1.674 53.743 52.037 0.054 0.000 0.623 807 A CB -0.472 18.609 19.000 0.135 0.000 0.818 807 A HN 0.352 nan 8.150 nan 0.000 0.443 808 M N -0.705 118.902 119.600 0.012 0.000 2.117 808 M HA -0.119 4.359 4.480 -0.004 0.000 0.262 808 M C 2.073 178.363 176.300 -0.017 0.000 1.065 808 M CA 1.610 56.903 55.300 -0.011 0.000 1.114 808 M CB -0.532 32.050 32.600 -0.030 0.000 1.361 808 M HN 0.403 nan 8.290 nan 0.000 0.408 809 I N 0.079 120.640 120.570 -0.015 0.000 2.179 809 I HA -0.299 3.868 4.170 -0.004 0.000 0.242 809 I C 1.876 177.982 176.117 -0.018 0.000 1.088 809 I CA 1.161 62.451 61.300 -0.017 0.000 1.357 809 I CB -0.597 37.394 38.000 -0.015 0.000 1.051 809 I HN 0.254 nan 8.210 nan 0.000 0.409 810 D N 0.717 121.108 120.400 -0.015 0.000 2.117 810 D HA -0.169 4.469 4.640 -0.004 0.000 0.197 810 D C 2.015 178.297 176.300 -0.029 0.000 0.987 810 D CA 1.069 55.058 54.000 -0.019 0.000 0.829 810 D CB -0.383 40.409 40.800 -0.013 0.000 0.961 810 D HN 0.158 nan 8.370 nan 0.000 0.460 811 L N 1.286 122.490 121.223 -0.030 0.000 2.012 811 L HA -0.171 4.167 4.340 -0.004 0.000 0.210 811 L C 1.576 178.417 176.870 -0.047 0.000 1.073 811 L CA 1.783 56.595 54.840 -0.046 0.000 0.748 811 L CB -0.859 41.172 42.059 -0.046 0.000 0.891 811 L HN -0.126 nan 8.230 nan 0.000 0.431 812 N N -0.323 118.357 118.700 -0.033 0.000 2.223 812 N HA -0.096 4.642 4.740 -0.004 0.000 0.185 812 N C 1.768 177.260 175.510 -0.030 0.000 1.016 812 N CA 1.395 54.429 53.050 -0.026 0.000 0.863 812 N CB -0.332 38.145 38.487 -0.017 0.000 0.983 812 N HN 0.553 nan 8.380 nan 0.000 0.429 813 A N 0.564 123.365 122.820 -0.031 0.000 1.969 813 A HA -0.049 4.268 4.320 -0.004 0.000 0.218 813 A C 2.078 179.639 177.584 -0.038 0.000 1.169 813 A CA 0.941 52.959 52.037 -0.031 0.000 0.635 813 A CB -0.122 18.861 19.000 -0.028 0.000 0.810 813 A HN 0.105 nan 8.150 nan 0.000 0.445 814 R N -0.224 120.249 120.500 -0.046 0.000 2.073 814 R HA 0.061 4.398 4.340 -0.004 0.000 0.229 814 R C 2.020 178.278 176.300 -0.069 0.000 1.120 814 R CA 0.964 57.029 56.100 -0.058 0.000 0.967 814 R CB -0.991 29.268 30.300 -0.068 0.000 0.862 814 R HN 0.557 nan 8.270 nan 0.000 0.436 815 L N 0.870 122.050 121.223 -0.071 0.000 2.083 815 L HA -0.152 4.186 4.340 -0.004 0.000 0.209 815 L C 2.691 179.525 176.870 -0.060 0.000 1.083 815 L CA 1.412 56.205 54.840 -0.079 0.000 0.752 815 L CB -0.395 41.622 42.059 -0.071 0.000 0.899 815 L HN 0.178 nan 8.230 nan 0.000 0.433 816 K N 0.420 120.794 120.400 -0.043 0.000 2.116 816 K HA -0.153 4.165 4.320 -0.004 0.000 0.203 816 K C 1.902 178.480 176.600 -0.037 0.000 1.052 816 K CA 1.050 57.318 56.287 -0.033 0.000 0.952 816 K CB 0.123 32.608 32.500 -0.026 0.000 0.729 816 K HN 0.277 nan 8.250 nan 0.000 0.446 817 E N 0.405 120.580 120.200 -0.041 0.000 2.085 817 E HA -0.168 4.180 4.350 -0.004 0.000 0.194 817 E C 1.615 178.187 176.600 -0.046 0.000 0.994 817 E CA 1.120 57.495 56.400 -0.040 0.000 0.801 817 E CB 0.145 29.820 29.700 -0.041 0.000 0.743 817 E HN 0.276 nan 8.360 nan 0.000 0.453 818 E N 0.215 120.380 120.200 -0.058 0.000 2.435 818 E HA -0.021 4.327 4.350 -0.004 0.000 0.195 818 E C 0.116 176.677 176.600 -0.065 0.000 1.029 818 E CA 0.165 56.524 56.400 -0.067 0.000 0.865 818 E CB 0.151 29.797 29.700 -0.089 0.000 0.833 818 E HN 0.070 nan 8.360 nan 0.000 0.510 819 R N -0.103 120.364 120.500 -0.055 0.000 3.525 819 R HA -0.162 4.176 4.340 -0.004 0.000 0.276 819 R C -0.400 175.863 176.300 -0.061 0.000 1.116 819 R CA 0.246 56.319 56.100 -0.046 0.000 0.745 819 R CB -2.468 27.809 30.300 -0.037 0.000 1.185 819 R HN 0.148 nan 8.270 nan 0.000 0.454 820 L N 0.286 121.458 121.223 -0.084 0.000 2.371 820 L HA 0.094 4.432 4.340 -0.004 0.000 0.272 820 L C 1.782 178.587 176.870 -0.108 0.000 1.124 820 L CA -0.070 54.694 54.840 -0.126 0.000 0.816 820 L CB 0.926 42.884 42.059 -0.169 0.000 1.129 820 L HN 0.302 nan 8.230 nan 0.000 0.448 821 Q N 1.980 121.688 119.800 -0.153 0.000 2.378 821 Q HA 0.070 4.407 4.340 -0.004 0.000 0.205 821 Q C 0.644 176.536 176.000 -0.180 0.000 0.954 821 Q CA 0.128 55.872 55.803 -0.097 0.000 0.901 821 Q CB 0.183 28.852 28.738 -0.114 0.000 0.981 821 Q HN 0.777 nan 8.270 nan 0.000 0.483 822 A N 2.355 124.976 122.820 -0.332 0.000 2.531 822 A HA 0.060 4.378 4.320 -0.004 0.000 0.236 822 A C -0.126 177.357 177.584 -0.168 0.000 1.062 822 A CA 0.278 52.083 52.037 -0.386 0.000 0.760 822 A CB -0.123 18.651 19.000 -0.377 0.000 0.995 822 A HN 0.424 nan 8.150 nan 0.000 0.501 823 H N 0.045 119.100 119.070 -0.025 0.000 3.037 823 H HA 0.523 5.076 4.556 -0.004 0.000 0.355 823 H C -1.419 173.920 175.328 0.018 0.000 1.263 823 H CA -1.173 54.882 56.048 0.011 0.000 1.129 823 H CB 0.614 30.415 29.762 0.065 0.000 1.861 823 H HN 0.490 nan 8.280 nan 0.000 0.546 824 L N 1.897 123.242 121.223 0.204 0.000 2.456 824 L HA 0.031 4.369 4.340 -0.004 0.000 0.272 824 L C 0.968 177.948 176.870 0.183 0.000 1.189 824 L CA -0.129 54.788 54.840 0.128 0.000 0.846 824 L CB 0.603 42.697 42.059 0.058 0.000 1.111 824 L HN 0.576 nan 8.230 nan 0.000 0.475 825 L N 3.066 124.358 121.223 0.115 0.000 2.586 825 L HA 0.350 4.688 4.340 -0.004 0.000 0.204 825 L C -0.022 176.904 176.870 0.094 0.000 1.053 825 L CA 0.230 55.128 54.840 0.097 0.000 0.856 825 L CB 0.486 42.558 42.059 0.023 0.000 1.192 825 L HN 0.428 nan 8.230 nan 0.000 0.484 826 L N -0.910 120.329 121.223 0.028 0.000 2.479 826 L HA 0.476 4.814 4.340 -0.004 0.000 0.255 826 L C -1.155 175.712 176.870 -0.006 0.000 1.026 826 L CA -0.573 54.317 54.840 0.085 0.000 0.842 826 L CB 2.240 44.293 42.059 -0.009 0.000 1.444 826 L HN -0.115 nan 8.230 nan 0.000 0.409 827 Q N 1.228 121.008 119.800 -0.033 0.000 2.304 827 Q HA 0.458 4.796 4.340 -0.004 0.000 0.270 827 Q C -1.864 174.092 176.000 -0.073 0.000 1.035 827 Q CA -0.387 55.358 55.803 -0.096 0.000 0.781 827 Q CB 2.681 31.274 28.738 -0.240 0.000 1.261 827 Q HN 0.508 nan 8.270 nan 0.000 0.444 828 V N 6.469 126.352 119.914 -0.051 0.000 2.446 828 V HA 0.230 4.347 4.120 -0.004 0.000 0.257 828 V C 0.317 176.323 176.094 -0.147 0.000 1.036 828 V CA -0.267 61.937 62.300 -0.160 0.000 1.196 828 V CB -0.396 31.477 31.823 0.083 0.000 1.446 828 V HN 0.924 nan 8.190 nan 0.000 0.558 829 H N 1.610 120.748 119.070 0.113 0.000 4.919 829 H HA -0.209 4.345 4.556 -0.004 0.000 0.068 829 H C 1.191 176.584 175.328 0.109 0.000 0.578 829 H CA 2.171 58.278 56.048 0.098 0.000 1.013 829 H CB -0.909 28.912 29.762 0.100 0.000 0.454 829 H HN 0.823 nan 8.280 nan 0.000 0.774 830 D N 1.703 122.252 120.400 0.248 0.000 2.563 830 D HA 0.202 4.839 4.640 -0.004 0.000 0.237 830 D C 0.251 176.703 176.300 0.253 0.000 1.282 830 D CA 0.467 54.629 54.000 0.269 0.000 0.816 830 D CB 0.415 41.351 40.800 0.227 0.000 1.066 830 D HN 0.747 nan 8.370 nan 0.000 0.501 831 E N -0.099 120.200 120.200 0.163 0.000 2.390 831 E HA 0.597 4.944 4.350 -0.004 0.000 0.277 831 E C -1.302 175.341 176.600 0.072 0.000 0.939 831 E CA -1.079 55.382 56.400 0.102 0.000 0.769 831 E CB 1.896 31.669 29.700 0.122 0.000 1.251 831 E HN -0.054 nan 8.360 nan 0.000 0.450 832 L N 2.199 123.452 121.223 0.049 0.000 2.362 832 L HA 0.519 4.857 4.340 -0.004 0.000 0.275 832 L C -0.835 176.077 176.870 0.070 0.000 0.998 832 L CA -1.289 53.575 54.840 0.041 0.000 0.820 832 L CB 1.521 43.594 42.059 0.024 0.000 1.270 832 L HN 0.537 nan 8.230 nan 0.000 0.415 833 I N 4.410 124.997 120.570 0.030 0.000 2.362 833 I HA 0.495 4.663 4.170 -0.004 0.000 0.289 833 I C -0.188 175.935 176.117 0.010 0.000 0.994 833 I CA -0.369 60.925 61.300 -0.011 0.000 1.158 833 I CB 1.481 39.344 38.000 -0.227 0.000 1.315 833 I HN 0.408 nan 8.210 nan 0.000 0.451 834 L N 5.571 126.842 121.223 0.080 0.000 2.257 834 L HA 0.622 4.960 4.340 -0.004 0.000 0.257 834 L C -0.041 176.860 176.870 0.053 0.000 1.033 834 L CA -0.535 54.341 54.840 0.060 0.000 0.835 834 L CB 1.669 43.744 42.059 0.027 0.000 1.398 834 L HN 0.672 nan 8.230 nan 0.000 0.429 835 E N 0.319 120.504 120.200 -0.026 0.000 2.331 835 E HA 0.901 5.248 4.350 -0.004 0.000 0.275 835 E C -1.666 174.801 176.600 -0.221 0.000 0.895 835 E CA -1.040 55.369 56.400 0.015 0.000 0.753 835 E CB 2.495 32.297 29.700 0.170 0.000 1.216 835 E HN 0.727 nan 8.360 nan 0.000 0.434 836 A N 2.433 125.052 122.820 -0.336 0.000 2.586 836 A HA 0.619 4.937 4.320 -0.004 0.000 0.291 836 A C -2.925 173.958 177.584 -1.167 0.000 1.062 836 A CA -1.353 50.093 52.037 -0.984 0.000 0.666 836 A CB 1.360 19.962 19.000 -0.664 0.000 1.281 836 A HN 0.542 nan 8.150 nan 0.000 0.421 837 P HA 0.091 nan 4.420 nan 0.000 0.269 837 P C 0.249 177.246 177.300 -0.504 0.000 1.215 837 P CA 0.030 62.466 63.100 -1.107 0.000 0.780 837 P CB 0.586 31.815 31.700 -0.785 0.000 0.898 838 K N 1.387 121.637 120.400 -0.251 0.000 2.280 838 K HA -0.171 4.146 4.320 -0.004 0.000 0.202 838 K C 1.057 177.540 176.600 -0.196 0.000 1.047 838 K CA 1.555 57.738 56.287 -0.174 0.000 0.942 838 K CB -0.447 32.024 32.500 -0.050 0.000 0.739 838 K HN 0.185 nan 8.250 nan 0.000 0.457 839 E N 1.473 121.559 120.200 -0.190 0.000 2.338 839 E HA -0.109 4.238 4.350 -0.004 0.000 0.197 839 E C 0.992 177.468 176.600 -0.206 0.000 1.007 839 E CA 1.057 57.360 56.400 -0.162 0.000 0.849 839 E CB 0.063 29.684 29.700 -0.132 0.000 0.774 839 E HN 0.521 nan 8.360 nan 0.000 0.506 840 E N -0.574 119.454 120.200 -0.287 0.000 2.474 840 E HA 0.064 4.411 4.350 -0.004 0.000 0.195 840 E C 1.295 177.689 176.600 -0.344 0.000 1.039 840 E CA -0.175 56.039 56.400 -0.310 0.000 0.881 840 E CB 0.170 29.645 29.700 -0.375 0.000 0.970 840 E HN 0.190 nan 8.360 nan 0.000 0.486 841 M N 0.804 120.192 119.600 -0.353 0.000 2.080 841 M HA -0.191 4.287 4.480 -0.004 0.000 0.260 841 M C 1.842 177.969 176.300 -0.289 0.000 1.068 841 M CA 1.689 56.737 55.300 -0.420 0.000 1.109 841 M CB -0.850 31.364 32.600 -0.643 0.000 1.342 841 M HN 0.146 nan 8.290 nan 0.000 0.405 842 E N -0.373 119.711 120.200 -0.194 0.000 2.118 842 E HA -0.194 4.153 4.350 -0.004 0.000 0.195 842 E C 2.177 178.694 176.600 -0.138 0.000 0.992 842 E CA 1.009 57.346 56.400 -0.105 0.000 0.804 842 E CB -0.163 29.498 29.700 -0.065 0.000 0.741 842 E HN 0.528 nan 8.360 nan 0.000 0.458 843 R N 0.317 120.704 120.500 -0.189 0.000 2.090 843 R HA -0.022 4.316 4.340 -0.004 0.000 0.228 843 R C 2.442 178.575 176.300 -0.278 0.000 1.110 843 R CA 0.683 56.663 56.100 -0.201 0.000 0.973 843 R CB -0.145 30.038 30.300 -0.196 0.000 0.869 843 R HN 0.165 nan 8.270 nan 0.000 0.440 844 L N -0.292 120.686 121.223 -0.407 0.000 2.156 844 L HA -0.163 4.174 4.340 -0.004 0.000 0.208 844 L C 2.380 178.911 176.870 -0.566 0.000 1.095 844 L CA 0.616 55.063 54.840 -0.654 0.000 0.770 844 L CB -0.372 41.002 42.059 -1.142 0.000 0.914 844 L HN 0.302 nan 8.230 nan 0.000 0.439 845 C N -0.113 119.009 119.300 -0.298 0.000 2.410 845 C HA -0.152 4.305 4.460 -0.004 0.000 0.281 845 C C 2.917 177.692 174.990 -0.359 0.000 1.318 845 C CA 0.994 59.873 59.018 -0.233 0.000 1.776 845 C CB -0.965 26.803 27.740 0.046 0.000 1.942 845 C HN 0.447 nan 8.230 nan 0.000 0.508 846 R N -0.777 119.586 120.500 -0.228 0.000 2.146 846 R HA 0.161 4.498 4.340 -0.004 0.000 0.206 846 R C 2.191 178.387 176.300 -0.173 0.000 1.049 846 R CA 0.350 56.351 56.100 -0.164 0.000 1.029 846 R CB -0.299 29.940 30.300 -0.103 0.000 0.949 846 R HN 0.452 nan 8.270 nan 0.000 0.471 847 L N 0.816 121.915 121.223 -0.208 0.000 2.044 847 L HA -0.105 4.233 4.340 -0.004 0.000 0.205 847 L C 1.947 178.706 176.870 -0.184 0.000 1.075 847 L CA 1.100 55.828 54.840 -0.186 0.000 0.747 847 L CB -0.060 41.877 42.059 -0.203 0.000 0.903 847 L HN -0.014 nan 8.230 nan 0.000 0.435 848 V N 0.781 120.549 119.914 -0.242 0.000 2.261 848 V HA -0.176 3.942 4.120 -0.004 0.000 0.246 848 V C -0.146 175.880 176.094 -0.114 0.000 1.047 848 V CA 2.115 64.316 62.300 -0.165 0.000 1.015 848 V CB -1.976 29.777 31.823 -0.117 0.000 0.642 848 V HN 0.375 nan 8.190 nan 0.000 0.446 849 P HA -0.156 nan 4.420 nan 0.000 0.215 849 P C 1.758 179.018 177.300 -0.065 0.000 1.157 849 P CA 1.314 64.362 63.100 -0.087 0.000 0.868 849 P CB -0.021 31.637 31.700 -0.071 0.000 0.788 850 E N -0.170 119.987 120.200 -0.070 0.000 2.033 850 E HA -0.161 4.187 4.350 -0.004 0.000 0.199 850 E C 2.038 178.616 176.600 -0.035 0.000 1.011 850 E CA 1.354 57.727 56.400 -0.045 0.000 0.815 850 E CB -1.012 28.653 29.700 -0.059 0.000 0.755 850 E HN -0.036 nan 8.360 nan 0.000 0.451 851 V N 1.009 120.892 119.914 -0.052 0.000 2.392 851 V HA -0.281 3.837 4.120 -0.004 0.000 0.249 851 V C 2.581 178.671 176.094 -0.007 0.000 1.059 851 V CA 1.998 64.277 62.300 -0.035 0.000 1.051 851 V CB -0.485 31.307 31.823 -0.051 0.000 0.658 851 V HN 0.288 nan 8.190 nan 0.000 0.455 852 M N -0.743 118.840 119.600 -0.029 0.000 2.175 852 M HA -0.161 4.317 4.480 -0.004 0.000 0.264 852 M C 2.168 178.552 176.300 0.141 0.000 1.063 852 M CA 1.732 57.033 55.300 0.002 0.000 1.119 852 M CB -0.402 32.032 32.600 -0.278 0.000 1.377 852 M HN 0.350 nan 8.290 nan 0.000 0.415 853 E N -0.221 120.020 120.200 0.069 0.000 2.208 853 E HA -0.143 4.205 4.350 -0.004 0.000 0.193 853 E C 1.647 178.289 176.600 0.069 0.000 0.988 853 E CA 0.655 57.120 56.400 0.109 0.000 0.828 853 E CB 0.109 29.842 29.700 0.055 0.000 0.763 853 E HN 0.432 nan 8.360 nan 0.000 0.478 854 Q N -0.490 119.333 119.800 0.039 0.000 2.280 854 Q HA 0.194 4.531 4.340 -0.004 0.000 0.201 854 Q C 1.657 177.664 176.000 0.011 0.000 0.890 854 Q CA 0.245 56.057 55.803 0.015 0.000 0.947 854 Q CB 0.675 29.414 28.738 0.002 0.000 1.081 854 Q HN 0.200 nan 8.270 nan 0.000 0.502 855 A N 0.938 123.778 122.820 0.034 0.000 1.917 855 A HA -0.056 4.262 4.320 -0.004 0.000 0.219 855 A C 1.313 178.886 177.584 -0.019 0.000 1.182 855 A CA 1.850 53.899 52.037 0.019 0.000 0.633 855 A CB -0.164 18.870 19.000 0.057 0.000 0.819 855 A HN 0.240 nan 8.150 nan 0.000 0.448 856 V N -5.554 114.335 119.914 -0.042 0.000 3.181 856 V HA 0.719 4.837 4.120 -0.004 0.000 0.308 856 V C -0.669 175.377 176.094 -0.081 0.000 1.214 856 V CA -0.559 61.695 62.300 -0.077 0.000 1.053 856 V CB 1.655 33.400 31.823 -0.131 0.000 1.069 856 V HN 0.007 nan 8.190 nan 0.000 0.441 857 T N 3.583 118.086 114.554 -0.085 0.000 2.772 857 T HA 0.726 5.073 4.350 -0.004 0.000 0.288 857 T C -0.359 174.277 174.700 -0.106 0.000 0.994 857 T CA -0.183 61.877 62.100 -0.067 0.000 0.951 857 T CB 0.573 69.427 68.868 -0.025 0.000 0.933 857 T HN 0.627 nan 8.240 nan 0.000 0.447 858 L N 2.189 123.337 121.223 -0.125 0.000 2.298 858 L HA 0.567 4.904 4.340 -0.004 0.000 0.268 858 L C 1.664 178.602 176.870 0.114 0.000 1.010 858 L CA -1.224 53.524 54.840 -0.153 0.000 0.812 858 L CB 1.332 43.188 42.059 -0.339 0.000 1.331 858 L HN 0.502 nan 8.230 nan 0.000 0.450 859 R N -0.056 120.671 120.500 0.380 0.000 2.285 859 R HA 0.003 4.340 4.340 -0.004 0.000 0.213 859 R C -0.080 176.286 176.300 0.110 0.000 1.068 859 R CA 0.484 56.693 56.100 0.181 0.000 1.004 859 R CB -0.179 30.184 30.300 0.105 0.000 0.873 859 R HN 0.505 nan 8.270 nan 0.000 0.467 860 V N -1.923 118.045 119.914 0.090 0.000 2.914 860 V HA 0.554 4.672 4.120 -0.004 0.000 0.314 860 V C -2.557 173.534 176.094 -0.005 0.000 1.084 860 V CA -2.964 59.368 62.300 0.053 0.000 0.963 860 V CB 2.261 34.115 31.823 0.051 0.000 1.025 860 V HN -0.146 nan 8.190 nan 0.000 0.432 861 P HA 0.367 nan 4.420 nan 0.000 0.274 861 P C -0.886 176.385 177.300 -0.049 0.000 1.237 861 P CA -0.324 62.772 63.100 -0.006 0.000 0.793 861 P CB 1.186 32.901 31.700 0.026 0.000 0.977 862 L N 1.331 122.541 121.223 -0.022 0.000 2.322 862 L HA 0.477 4.815 4.340 -0.004 0.000 0.279 862 L C 0.716 177.624 176.870 0.064 0.000 1.036 862 L CA -0.641 54.201 54.840 0.002 0.000 0.807 862 L CB 1.385 43.477 42.059 0.055 0.000 1.226 862 L HN 0.397 nan 8.230 nan 0.000 0.433 863 K N 2.268 122.720 120.400 0.085 0.000 2.324 863 K HA 0.683 5.001 4.320 -0.004 0.000 0.253 863 K C -1.715 174.939 176.600 0.091 0.000 0.932 863 K CA -0.563 55.771 56.287 0.078 0.000 0.799 863 K CB 2.133 34.667 32.500 0.057 0.000 1.154 863 K HN 0.325 nan 8.250 nan 0.000 0.425 864 V N 3.794 123.733 119.914 0.042 0.000 2.531 864 V HA 0.302 4.419 4.120 -0.004 0.000 0.301 864 V C -0.826 175.291 176.094 0.038 0.000 1.034 864 V CA -0.938 61.351 62.300 -0.019 0.000 0.865 864 V CB 1.788 33.538 31.823 -0.121 0.000 0.995 864 V HN 0.851 nan 8.190 nan 0.000 0.424 865 D N 3.078 123.465 120.400 -0.021 0.000 2.268 865 D HA 0.663 5.300 4.640 -0.004 0.000 0.249 865 D C -0.982 175.212 176.300 -0.176 0.000 1.008 865 D CA 0.125 54.029 54.000 -0.160 0.000 0.939 865 D CB 2.364 43.066 40.800 -0.164 0.000 1.170 865 D HN 0.600 nan 8.370 nan 0.000 0.468 866 Y N -2.282 117.697 120.300 -0.535 0.000 2.609 866 Y HA 0.594 5.141 4.550 -0.004 0.000 0.336 866 Y C -0.992 174.303 175.900 -1.009 0.000 1.129 866 Y CA -0.972 56.744 58.100 -0.640 0.000 1.040 866 Y CB 1.590 39.767 38.460 -0.473 0.000 1.310 866 Y HN 0.283 nan 8.280 nan 0.000 0.460 867 H N 0.758 119.667 119.070 -0.268 0.000 3.037 867 H HA 0.444 4.997 4.556 -0.004 0.000 0.355 867 H C -1.783 173.424 175.328 -0.201 0.000 1.263 867 H CA -0.946 54.952 56.048 -0.251 0.000 1.129 867 H CB 2.645 32.274 29.762 -0.222 0.000 1.861 867 H HN 0.887 nan 8.280 nan 0.000 0.546 868 Y N -1.095 119.203 120.300 -0.002 0.000 2.615 868 Y HA 0.777 5.325 4.550 -0.004 0.000 0.341 868 Y C -0.301 175.654 175.900 0.093 0.000 1.089 868 Y CA -0.766 57.361 58.100 0.044 0.000 1.049 868 Y CB 1.760 40.305 38.460 0.141 0.000 1.296 868 Y HN 0.950 nan 8.280 nan 0.000 0.470 869 G N -0.129 108.877 108.800 0.344 0.000 2.430 869 G HA2 0.317 4.274 3.960 -0.004 0.000 0.300 869 G HA3 0.317 4.274 3.960 -0.004 0.000 0.300 869 G C -0.605 174.443 174.900 0.247 0.000 1.330 869 G CA -0.397 44.846 45.100 0.238 0.000 0.813 869 G HN 0.634 nan 8.290 nan 0.000 0.487 870 S N -0.774 115.047 115.700 0.202 0.000 2.447 870 S HA 0.146 4.614 4.470 -0.004 0.000 0.233 870 S C 1.237 175.958 174.600 0.202 0.000 1.006 870 S CA 1.746 60.058 58.200 0.187 0.000 0.957 870 S CB -0.313 62.977 63.200 0.150 0.000 0.773 870 S HN 1.371 nan 8.310 nan 0.000 0.507 871 T N -3.919 110.779 114.554 0.239 0.000 2.841 871 T HA 0.316 4.664 4.350 -0.004 0.000 0.296 871 T C -0.027 174.902 174.700 0.381 0.000 1.166 871 T CA -0.807 61.470 62.100 0.295 0.000 1.007 871 T CB 0.710 69.751 68.868 0.289 0.000 1.253 871 T HN 0.115 nan 8.240 nan 0.000 0.511 872 W N 0.615 122.036 121.300 0.203 0.000 2.321 872 W HA -0.153 4.505 4.660 -0.004 0.000 0.306 872 W C 1.912 178.503 176.519 0.121 0.000 1.217 872 W CA 1.260 58.690 57.345 0.142 0.000 1.257 872 W CB -1.135 28.390 29.460 0.107 0.000 1.145 872 W HN 0.917 nan 8.180 nan 0.000 0.509 873 Y N 1.558 121.976 120.300 0.198 0.000 2.165 873 Y HA -0.273 4.275 4.550 -0.004 0.000 0.286 873 Y C 2.196 178.106 175.900 0.017 0.000 1.155 873 Y CA 2.653 60.762 58.100 0.016 0.000 1.164 873 Y CB -0.621 37.855 38.460 0.027 0.000 0.978 873 Y HN -0.143 nan 8.280 nan 0.000 0.513 874 D N 0.443 120.941 120.400 0.164 0.000 2.269 874 D HA -0.020 4.618 4.640 -0.004 0.000 0.208 874 D C 0.864 177.144 176.300 -0.035 0.000 0.963 874 D CA 1.010 55.030 54.000 0.032 0.000 0.864 874 D CB -0.293 40.594 40.800 0.146 0.000 0.936 874 D HN 0.351 nan 8.370 nan 0.000 0.505 875 A N 1.620 124.479 122.820 0.065 0.000 3.030 875 A HA 0.230 4.548 4.320 -0.004 0.000 0.273 875 A C 0.276 177.841 177.584 -0.031 0.000 1.841 875 A CA 0.003 52.090 52.037 0.083 0.000 1.479 875 A CB -0.709 18.423 19.000 0.220 0.000 1.048 875 A HN 0.135 nan 8.150 nan 0.000 0.612 876 K N 0.000 120.255 120.400 -0.241 0.000 2.780 876 K HA 0.000 4.318 4.320 -0.004 0.000 0.191 876 K CA 0.000 55.908 56.287 -0.632 0.000 0.838 876 K CB 0.000 32.213 32.500 -0.478 0.000 1.064 876 K HN 0.000 nan 8.250 nan 0.000 0.543