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 1vs0_1_B DATA FIRST_RESID 453 DATA SEQUENCE FEFDNLAPXL ATHGTVAGLK ASQWAFEGXW DGYRLLVEAD HGAVRLRSRS DATA SEQUENCE GRDVTAEYPQ LRALAEDLAD HHVVLDGEAV VLDSSGVPSF SQXQNRGRDT DATA SEQUENCE RVEFWAFDLL YLDGRALLGT RYQDRRKLLE TLANATSLTV PELLPGDGAQ DATA SEQUENCE AFACSRKHGW EGVIAKRRDS RYQPGRRCAS WVKDKHWNTQ EVVIGGWRAG DATA SEQUENCE EGXXSSGVGS LLXGIPGPGG LQFAGRVGTG LSERELANLK EXLAPLHTDE DATA SEQUENCE SPFDVPLPAR DAKGITYVKP ALVAEVRYSE WTPEGRLRQS SWRGLRPDKK DATA SEQUENCE PSEVVRE 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 453 F HA 0.000 nan 4.527 nan 0.000 0.279 453 F C 0.000 175.828 175.800 0.046 0.000 0.967 453 F CA 0.000 58.043 58.000 0.072 0.000 1.383 453 F CB 0.000 39.077 39.000 0.129 0.000 1.145 454 E N 5.865 125.737 120.200 -0.546 0.000 2.265 454 E HA 0.203 4.553 4.350 -0.000 0.000 0.262 454 E C -0.325 176.009 176.600 -0.443 0.000 0.889 454 E CA -0.612 55.588 56.400 -0.332 0.000 0.789 454 E CB 1.302 30.914 29.700 -0.145 0.000 1.221 454 E HN 0.658 nan 8.360 nan 0.000 0.414 455 F N 4.238 123.930 119.950 -0.430 0.000 2.161 455 F HA -0.179 4.348 4.527 -0.000 0.000 0.300 455 F C 1.315 177.007 175.800 -0.180 0.000 1.089 455 F CA 1.762 59.587 58.000 -0.290 0.000 1.282 455 F CB 0.386 39.315 39.000 -0.117 0.000 1.010 455 F HN 0.535 nan 8.300 nan 0.000 0.485 456 D N -0.095 120.226 120.400 -0.132 0.000 2.351 456 D HA -0.130 4.510 4.640 -0.000 0.000 0.216 456 D C 1.080 177.256 176.300 -0.207 0.000 0.968 456 D CA 0.769 54.665 54.000 -0.174 0.000 0.899 456 D CB -0.395 40.373 40.800 -0.053 0.000 0.907 456 D HN 0.333 nan 8.370 nan 0.000 0.514 457 N N 0.091 118.657 118.700 -0.224 0.000 2.273 457 N HA 0.102 4.842 4.740 -0.000 0.000 0.231 457 N C -0.572 174.825 175.510 -0.188 0.000 1.134 457 N CA -0.118 52.827 53.050 -0.176 0.000 0.856 457 N CB 0.921 39.319 38.487 -0.147 0.000 1.068 457 N HN 0.131 nan 8.380 nan 0.000 0.510 458 L N 0.827 121.897 121.223 -0.256 0.000 2.333 458 L HA 0.666 5.006 4.340 -0.000 0.000 0.280 458 L C -0.705 176.070 176.870 -0.159 0.000 1.004 458 L CA -0.543 54.166 54.840 -0.218 0.000 0.820 458 L CB 1.616 43.483 42.059 -0.320 0.000 1.247 458 L HN -0.062 nan 8.230 nan 0.000 0.416 459 A N 6.399 129.188 122.820 -0.053 0.000 2.380 459 A HA 0.967 5.287 4.320 -0.000 0.000 0.315 459 A C -2.707 174.931 177.584 0.089 0.000 1.101 459 A CA -1.560 50.471 52.037 -0.011 0.000 0.771 459 A CB 1.061 20.047 19.000 -0.022 0.000 1.287 459 A HN 0.481 nan 8.150 nan 0.000 0.436 463 A N 0.670 123.591 122.820 0.168 0.000 2.302 463 A HA 0.807 5.127 4.320 -0.000 0.000 0.285 463 A C -0.104 177.544 177.584 0.106 0.000 1.105 463 A CA -0.229 51.931 52.037 0.205 0.000 0.816 463 A CB 0.918 20.038 19.000 0.200 0.000 1.067 463 A HN 0.585 nan 8.150 nan 0.000 0.489 464 T N 1.970 116.585 114.554 0.101 0.000 2.845 464 T HA 0.255 4.605 4.350 -0.000 0.000 0.288 464 T C 0.100 174.844 174.700 0.073 0.000 0.980 464 T CA -0.028 62.120 62.100 0.081 0.000 1.071 464 T CB 0.220 69.131 68.868 0.071 0.000 0.941 464 T HN 0.638 nan 8.240 nan 0.000 0.487 465 H N 1.494 120.565 119.070 0.003 0.000 2.803 465 H HA 0.506 5.062 4.556 -0.000 0.000 0.330 465 H C 0.282 175.602 175.328 -0.012 0.000 1.057 465 H CA 0.762 56.807 56.048 -0.005 0.000 1.458 465 H CB 0.236 30.007 29.762 0.014 0.000 1.470 465 H HN 0.886 nan 8.280 nan 0.000 0.560 466 G N 2.679 111.306 108.800 -0.288 0.000 2.340 466 G HA2 0.196 4.156 3.960 -0.000 0.000 0.299 466 G HA3 0.196 4.156 3.960 -0.000 0.000 0.299 466 G C -1.094 173.659 174.900 -0.245 0.000 1.291 466 G CA -0.248 44.757 45.100 -0.160 0.000 0.841 466 G HN 0.724 nan 8.290 nan 0.000 0.500 467 T N -1.761 112.681 114.554 -0.187 0.000 2.895 467 T HA 0.591 4.941 4.350 -0.000 0.000 0.283 467 T C 1.018 175.531 174.700 -0.312 0.000 1.014 467 T CA 0.100 62.073 62.100 -0.211 0.000 1.037 467 T CB 1.651 70.465 68.868 -0.091 0.000 1.006 467 T HN 1.696 nan 8.240 nan 0.000 0.468 468 V N -0.971 118.704 119.914 -0.399 0.000 3.661 468 V HA 0.468 4.588 4.120 -0.000 0.000 0.271 468 V C 2.425 178.303 176.094 -0.360 0.000 1.315 468 V CA 0.625 62.653 62.300 -0.454 0.000 1.072 468 V CB -0.993 30.465 31.823 -0.607 0.000 0.830 468 V HN 0.986 nan 8.190 nan 0.000 0.443 469 A N 1.828 124.498 122.820 -0.251 0.000 1.972 469 A HA 0.086 4.406 4.320 -0.000 0.000 0.219 469 A C 2.137 179.650 177.584 -0.119 0.000 1.169 469 A CA 1.837 53.788 52.037 -0.144 0.000 0.635 469 A CB -1.127 17.852 19.000 -0.036 0.000 0.810 469 A HN 0.797 nan 8.150 nan 0.000 0.446 470 G N -1.093 107.637 108.800 -0.116 0.000 3.026 470 G HA2 0.360 4.320 3.960 -0.000 0.000 0.208 470 G HA3 0.360 4.320 3.960 -0.000 0.000 0.208 470 G C 0.329 175.190 174.900 -0.064 0.000 1.169 470 G CA -0.199 44.858 45.100 -0.071 0.000 0.788 470 G HN 0.373 nan 8.290 nan 0.000 0.533 471 L N 0.874 122.030 121.223 -0.112 0.000 2.282 471 L HA 0.389 4.729 4.340 -0.000 0.000 0.288 471 L C -0.206 176.771 176.870 0.178 0.000 1.033 471 L CA -0.616 54.164 54.840 -0.099 0.000 0.807 471 L CB 1.795 43.581 42.059 -0.455 0.000 1.209 471 L HN -0.047 nan 8.230 nan 0.000 0.423 472 K N 2.282 122.852 120.400 0.285 0.000 2.234 472 K HA 0.361 4.681 4.320 -0.000 0.000 0.277 472 K C 0.857 177.672 176.600 0.358 0.000 1.038 472 K CA -0.353 56.109 56.287 0.291 0.000 0.888 472 K CB 1.903 34.516 32.500 0.187 0.000 1.091 472 K HN 0.727 nan 8.250 nan 0.000 0.467 473 A N 2.301 125.340 122.820 0.365 0.000 2.067 473 A HA -0.269 4.051 4.320 -0.000 0.000 0.224 473 A C 2.239 179.898 177.584 0.125 0.000 1.172 473 A CA 2.476 54.679 52.037 0.277 0.000 0.662 473 A CB -0.525 18.640 19.000 0.274 0.000 0.814 473 A HN 0.775 nan 8.150 nan 0.000 0.468 474 S N -1.809 113.961 115.700 0.118 0.000 2.383 474 S HA -0.229 4.241 4.470 -0.000 0.000 0.229 474 S C 2.007 176.608 174.600 0.001 0.000 1.030 474 S CA 2.020 60.255 58.200 0.057 0.000 1.002 474 S CB -0.183 63.053 63.200 0.060 0.000 0.829 474 S HN 0.622 nan 8.310 nan 0.000 0.467 475 Q N -1.397 118.402 119.800 -0.001 0.000 2.378 475 Q HA 0.346 4.686 4.340 -0.000 0.000 0.229 475 Q C -1.014 174.708 176.000 -0.463 0.000 0.882 475 Q CA 0.220 55.894 55.803 -0.215 0.000 0.936 475 Q CB 0.632 29.229 28.738 -0.235 0.000 1.092 475 Q HN 0.596 nan 8.270 nan 0.000 0.535 476 W N -0.107 121.033 121.300 -0.267 0.000 2.785 476 W HA 0.764 5.424 4.660 -0.000 0.000 0.333 476 W C -0.681 175.354 176.519 -0.806 0.000 1.062 476 W CA -1.147 55.877 57.345 -0.534 0.000 1.233 476 W CB 1.202 30.288 29.460 -0.624 0.000 1.413 476 W HN -0.166 nan 8.180 nan 0.000 0.489 477 A N 2.832 125.340 122.820 -0.519 0.000 2.310 477 A HA 0.840 5.160 4.320 -0.000 0.000 0.299 477 A C -1.502 175.669 177.584 -0.688 0.000 1.147 477 A CA -0.381 51.369 52.037 -0.479 0.000 0.818 477 A CB 0.237 19.108 19.000 -0.216 0.000 1.096 477 A HN 0.476 nan 8.150 nan 0.000 0.495 478 F N 0.761 120.696 119.950 -0.025 0.000 2.467 478 F HA 0.457 4.984 4.527 -0.000 0.000 0.336 478 F C 0.485 176.239 175.800 -0.076 0.000 1.123 478 F CA -0.226 57.723 58.000 -0.086 0.000 0.964 478 F CB 1.848 40.809 39.000 -0.065 0.000 1.136 478 F HN 0.594 nan 8.300 nan 0.000 0.447 479 E N 1.032 121.217 120.200 -0.025 0.000 2.227 479 E HA 0.533 4.883 4.350 -0.000 0.000 0.268 479 E C 0.244 176.706 176.600 -0.231 0.000 0.907 479 E CA -0.958 55.380 56.400 -0.102 0.000 0.786 479 E CB 2.180 31.726 29.700 -0.256 0.000 1.191 479 E HN 0.783 nan 8.360 nan 0.000 0.411 483 D N 0.592 121.138 120.400 0.243 0.000 2.225 483 D HA 0.626 5.266 4.640 -0.000 0.000 0.248 483 D C 0.518 176.928 176.300 0.183 0.000 1.096 483 D CA 0.594 54.733 54.000 0.231 0.000 0.863 483 D CB 1.918 42.877 40.800 0.265 0.000 1.156 483 D HN 0.608 nan 8.370 nan 0.000 0.450 484 G N 0.508 109.445 108.800 0.228 0.000 2.428 484 G HA2 0.245 4.205 3.960 -0.000 0.000 0.305 484 G HA3 0.245 4.205 3.960 -0.000 0.000 0.305 484 G C -1.898 173.224 174.900 0.371 0.000 1.260 484 G CA -0.646 44.534 45.100 0.134 0.000 0.853 484 G HN 0.183 nan 8.290 nan 0.000 0.480 485 Y N 0.605 120.979 120.300 0.123 0.000 2.331 485 Y HA 0.688 5.238 4.550 -0.000 0.000 0.338 485 Y C 0.769 176.755 175.900 0.144 0.000 0.976 485 Y CA -1.678 56.505 58.100 0.138 0.000 1.137 485 Y CB 1.620 40.162 38.460 0.137 0.000 1.172 485 Y HN 0.551 nan 8.280 nan 0.000 0.478 486 R N 3.315 124.010 120.500 0.325 0.000 2.484 486 R HA 0.331 4.671 4.340 -0.000 0.000 0.293 486 R C -1.473 174.962 176.300 0.224 0.000 1.023 486 R CA 0.438 56.715 56.100 0.294 0.000 1.037 486 R CB -0.251 30.221 30.300 0.287 0.000 0.951 486 R HN 0.740 nan 8.270 nan 0.000 0.418 487 L N 5.828 127.188 121.223 0.227 0.000 2.386 487 L HA 0.463 4.803 4.340 -0.000 0.000 0.271 487 L C -0.818 176.157 176.870 0.175 0.000 0.993 487 L CA -1.026 53.903 54.840 0.148 0.000 0.819 487 L CB 1.900 43.984 42.059 0.040 0.000 1.294 487 L HN 0.508 nan 8.230 nan 0.000 0.414 488 L N 3.674 124.975 121.223 0.130 0.000 2.282 488 L HA 0.588 4.928 4.340 -0.000 0.000 0.288 488 L C -0.682 176.335 176.870 0.245 0.000 1.033 488 L CA -0.793 54.163 54.840 0.193 0.000 0.807 488 L CB 1.908 44.054 42.059 0.144 0.000 1.209 488 L HN 0.239 nan 8.230 nan 0.000 0.423 489 V N 2.625 122.636 119.914 0.162 0.000 2.448 489 V HA 0.299 4.419 4.120 -0.000 0.000 0.295 489 V C -0.166 175.869 176.094 -0.099 0.000 1.025 489 V CA -0.621 61.653 62.300 -0.044 0.000 0.859 489 V CB 1.891 33.505 31.823 -0.348 0.000 0.988 489 V HN 0.731 nan 8.190 nan 0.000 0.431 490 E N 3.545 123.502 120.200 -0.405 0.000 2.092 490 E HA 0.646 4.996 4.350 -0.000 0.000 0.271 490 E C -0.535 175.869 176.600 -0.327 0.000 0.919 490 E CA -0.624 55.438 56.400 -0.563 0.000 0.760 490 E CB 1.406 30.364 29.700 -1.236 0.000 1.106 490 E HN 0.832 nan 8.360 nan 0.000 0.408 491 A N 4.817 127.525 122.820 -0.185 0.000 2.322 491 A HA 0.211 4.531 4.320 -0.000 0.000 0.327 491 A C -0.626 176.859 177.584 -0.165 0.000 1.394 491 A CA -0.690 51.260 52.037 -0.145 0.000 0.921 491 A CB 0.631 19.585 19.000 -0.075 0.000 1.153 491 A HN 0.583 nan 8.150 nan 0.000 0.523 492 D N 2.150 122.378 120.400 -0.286 0.000 2.493 492 D HA 0.301 4.941 4.640 -0.000 0.000 0.235 492 D C 0.169 176.320 176.300 -0.249 0.000 1.117 492 D CA -0.071 53.631 54.000 -0.497 0.000 0.930 492 D CB -0.641 39.757 40.800 -0.671 0.000 1.010 492 D HN 0.700 nan 8.370 nan 0.000 0.514 493 H N 1.698 120.719 119.070 -0.081 0.000 2.741 493 H HA -0.224 4.332 4.556 -0.000 0.000 0.305 493 H C 1.272 176.564 175.328 -0.061 0.000 1.169 493 H CA 0.912 56.927 56.048 -0.056 0.000 1.144 493 H CB -0.928 28.797 29.762 -0.061 0.000 1.397 493 H HN 0.672 nan 8.280 nan 0.000 0.409 494 G N -2.148 106.661 108.800 0.015 0.000 2.278 494 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.210 494 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.210 494 G C 0.424 175.304 174.900 -0.033 0.000 1.000 494 G CA -0.237 44.862 45.100 -0.002 0.000 0.635 494 G HN 1.029 nan 8.290 nan 0.000 0.495 495 A N -0.109 122.674 122.820 -0.062 0.000 2.316 495 A HA 0.833 5.153 4.320 -0.000 0.000 0.284 495 A C -0.059 177.454 177.584 -0.119 0.000 1.115 495 A CA 0.241 52.227 52.037 -0.084 0.000 0.812 495 A CB 1.772 20.713 19.000 -0.099 0.000 1.064 495 A HN 1.525 nan 8.150 nan 0.000 0.489 496 V N 2.613 122.465 119.914 -0.103 0.000 2.735 496 V HA 0.784 4.904 4.120 -0.000 0.000 0.310 496 V C -0.596 175.434 176.094 -0.107 0.000 1.061 496 V CA -0.645 61.582 62.300 -0.122 0.000 0.913 496 V CB 1.883 33.651 31.823 -0.091 0.000 1.005 496 V HN 1.045 nan 8.190 nan 0.000 0.428 497 R N 5.330 125.745 120.500 -0.143 0.000 2.651 497 R HA 0.740 5.080 4.340 -0.000 0.000 0.278 497 R C -1.729 174.597 176.300 0.042 0.000 1.010 497 R CA -0.620 55.455 56.100 -0.041 0.000 0.896 497 R CB 2.257 32.528 30.300 -0.048 0.000 1.211 497 R HN 0.621 nan 8.270 nan 0.000 0.456 498 L N 2.220 123.531 121.223 0.147 0.000 2.381 498 L HA 0.666 5.006 4.340 -0.000 0.000 0.268 498 L C -0.376 176.601 176.870 0.179 0.000 0.997 498 L CA -0.961 53.971 54.840 0.153 0.000 0.818 498 L CB 2.266 44.347 42.059 0.036 0.000 1.310 498 L HN 0.419 nan 8.230 nan 0.000 0.416 499 R N 0.733 121.313 120.500 0.132 0.000 2.621 499 R HA 0.484 4.824 4.340 -0.000 0.000 0.292 499 R C -0.308 175.998 176.300 0.010 0.000 0.969 499 R CA -0.540 55.559 56.100 -0.002 0.000 0.887 499 R CB 2.429 32.600 30.300 -0.215 0.000 1.180 499 R HN 0.811 nan 8.270 nan 0.000 0.450 500 S N 1.475 117.183 115.700 0.013 0.000 2.617 500 S HA 0.063 4.533 4.470 -0.000 0.000 0.259 500 S C 1.221 175.832 174.600 0.018 0.000 1.301 500 S CA -0.594 57.621 58.200 0.026 0.000 0.984 500 S CB 0.892 64.100 63.200 0.013 0.000 0.954 500 S HN 0.823 nan 8.310 nan 0.000 0.572 501 R N 0.188 120.712 120.500 0.039 0.000 2.152 501 R HA -0.053 4.287 4.340 -0.000 0.000 0.232 501 R C 1.691 177.999 176.300 0.013 0.000 1.117 501 R CA 1.556 57.686 56.100 0.049 0.000 0.981 501 R CB -0.847 29.497 30.300 0.075 0.000 0.870 501 R HN 0.697 nan 8.270 nan 0.000 0.451 502 S N -0.769 114.928 115.700 -0.004 0.000 2.577 502 S HA 0.268 4.738 4.470 -0.000 0.000 0.219 502 S C 1.237 175.820 174.600 -0.030 0.000 0.962 502 S CA -0.029 58.162 58.200 -0.015 0.000 0.921 502 S CB 0.598 63.788 63.200 -0.017 0.000 0.789 502 S HN 0.653 nan 8.310 nan 0.000 0.497 503 G N 1.414 110.188 108.800 -0.042 0.000 2.159 503 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.256 503 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.256 503 G C 0.078 174.941 174.900 -0.061 0.000 0.977 503 G CA 0.069 45.125 45.100 -0.073 0.000 0.652 503 G HN 0.682 nan 8.290 nan 0.000 0.531 504 R N 0.734 121.215 120.500 -0.031 0.000 2.543 504 R HA 0.328 4.668 4.340 -0.000 0.000 0.277 504 R C -0.275 176.026 176.300 0.002 0.000 1.074 504 R CA -0.142 55.951 56.100 -0.012 0.000 1.076 504 R CB 0.289 30.590 30.300 0.001 0.000 0.993 504 R HN 0.167 nan 8.270 nan 0.000 0.459 505 D N 3.857 124.266 120.400 0.014 0.000 2.342 505 D HA -0.008 4.632 4.640 -0.000 0.000 0.260 505 D C 0.456 176.795 176.300 0.065 0.000 1.278 505 D CA -0.133 53.893 54.000 0.044 0.000 0.910 505 D CB 0.870 41.696 40.800 0.043 0.000 1.079 505 D HN 0.311 nan 8.370 nan 0.000 0.496 506 V N 1.557 121.529 119.914 0.096 0.000 3.043 506 V HA 0.171 4.291 4.120 -0.000 0.000 0.357 506 V C 1.406 177.609 176.094 0.181 0.000 1.372 506 V CA -0.112 62.273 62.300 0.143 0.000 1.214 506 V CB -0.271 31.673 31.823 0.203 0.000 1.224 506 V HN 0.401 nan 8.190 nan 0.000 0.507 507 T N 1.838 116.466 114.554 0.124 0.000 2.635 507 T HA -0.179 4.171 4.350 -0.000 0.000 0.267 507 T C 2.095 176.859 174.700 0.107 0.000 1.040 507 T CA 2.442 64.606 62.100 0.107 0.000 1.156 507 T CB -0.380 68.528 68.868 0.067 0.000 0.863 507 T HN 0.867 nan 8.240 nan 0.000 0.430 508 A N 1.144 124.008 122.820 0.073 0.000 2.125 508 A HA -0.099 4.221 4.320 -0.000 0.000 0.219 508 A C 2.031 179.628 177.584 0.022 0.000 1.156 508 A CA 1.278 53.340 52.037 0.041 0.000 0.671 508 A CB -0.482 18.532 19.000 0.023 0.000 0.794 508 A HN 0.606 nan 8.150 nan 0.000 0.459 509 E N -2.185 118.041 120.200 0.043 0.000 2.478 509 E HA 0.021 4.371 4.350 -0.000 0.000 0.194 509 E C -0.775 175.613 176.600 -0.355 0.000 1.045 509 E CA 0.265 56.592 56.400 -0.122 0.000 0.868 509 E CB 0.119 29.751 29.700 -0.114 0.000 0.885 509 E HN 0.786 nan 8.360 nan 0.000 0.505 510 Y N -0.669 119.639 120.300 0.014 0.000 2.490 510 Y HA 0.226 4.776 4.550 -0.000 0.000 0.346 510 Y C -2.107 173.787 175.900 -0.009 0.000 1.023 510 Y CA -1.861 56.241 58.100 0.003 0.000 1.142 510 Y CB 1.131 39.592 38.460 0.001 0.000 1.126 510 Y HN 0.052 nan 8.280 nan 0.000 0.647 511 P HA -0.168 nan 4.420 nan 0.000 0.230 511 P C 1.364 178.692 177.300 0.046 0.000 1.158 511 P CA 1.095 64.223 63.100 0.047 0.000 0.769 511 P CB 0.359 32.068 31.700 0.015 0.000 0.807 512 Q N -0.909 118.929 119.800 0.064 0.000 2.432 512 Q HA -0.004 4.336 4.340 -0.000 0.000 0.205 512 Q C 1.353 177.384 176.000 0.051 0.000 0.945 512 Q CA 0.849 56.684 55.803 0.053 0.000 0.924 512 Q CB -0.900 27.871 28.738 0.056 0.000 1.016 512 Q HN 0.220 nan 8.270 nan 0.000 0.503 513 L N 1.245 122.501 121.223 0.055 0.000 2.551 513 L HA 0.067 4.407 4.340 -0.000 0.000 0.228 513 L C 2.282 179.139 176.870 -0.021 0.000 1.153 513 L CA 0.965 55.804 54.840 -0.002 0.000 0.851 513 L CB -0.548 41.473 42.059 -0.064 0.000 0.959 513 L HN 0.133 nan 8.230 nan 0.000 0.451 514 R N -0.708 119.792 120.500 -0.000 0.000 2.127 514 R HA -0.151 4.189 4.340 -0.000 0.000 0.238 514 R C 2.241 178.539 176.300 -0.004 0.000 1.134 514 R CA 1.279 57.374 56.100 -0.008 0.000 0.975 514 R CB -0.397 29.904 30.300 0.000 0.000 0.865 514 R HN 0.382 nan 8.270 nan 0.000 0.447 515 A N 0.994 123.819 122.820 0.009 0.000 1.930 515 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 515 A C 2.014 179.609 177.584 0.019 0.000 1.175 515 A CA 0.843 52.890 52.037 0.016 0.000 0.627 515 A CB -0.341 18.674 19.000 0.025 0.000 0.815 515 A HN 0.216 nan 8.150 nan 0.000 0.443 516 L N 0.020 121.251 121.223 0.015 0.000 1.994 516 L HA -0.072 4.268 4.340 -0.000 0.000 0.208 516 L C 2.684 179.557 176.870 0.005 0.000 1.071 516 L CA 2.346 57.197 54.840 0.018 0.000 0.745 516 L CB -1.036 41.027 42.059 0.007 0.000 0.892 516 L HN 0.333 nan 8.230 nan 0.000 0.431 517 A N -0.983 121.823 122.820 -0.023 0.000 1.940 517 A HA -0.268 4.052 4.320 -0.000 0.000 0.219 517 A C 2.245 179.828 177.584 -0.002 0.000 1.176 517 A CA 1.880 53.901 52.037 -0.028 0.000 0.631 517 A CB -0.717 18.249 19.000 -0.057 0.000 0.814 517 A HN 0.564 nan 8.150 nan 0.000 0.446 518 E N 0.284 120.486 120.200 0.004 0.000 2.072 518 E HA -0.158 4.192 4.350 -0.000 0.000 0.191 518 E C 1.687 178.302 176.600 0.026 0.000 0.985 518 E CA 1.318 57.725 56.400 0.013 0.000 0.801 518 E CB -0.329 29.377 29.700 0.009 0.000 0.750 518 E HN 0.528 nan 8.360 nan 0.000 0.452 519 D N -0.604 119.815 120.400 0.032 0.000 2.123 519 D HA -0.137 4.503 4.640 -0.000 0.000 0.196 519 D C 1.053 177.394 176.300 0.068 0.000 0.992 519 D CA 0.704 54.731 54.000 0.045 0.000 0.833 519 D CB 0.133 40.961 40.800 0.047 0.000 0.954 519 D HN 0.170 nan 8.370 nan 0.000 0.455 520 L N 0.656 121.922 121.223 0.073 0.000 2.627 520 L HA 0.164 4.504 4.340 -0.000 0.000 0.232 520 L C 2.017 178.959 176.870 0.119 0.000 1.150 520 L CA 0.132 55.047 54.840 0.124 0.000 0.917 520 L CB -1.020 41.092 42.059 0.088 0.000 1.104 520 L HN -0.109 nan 8.230 nan 0.000 0.445 521 A N -0.880 121.980 122.820 0.068 0.000 2.139 521 A HA -0.202 4.118 4.320 -0.000 0.000 0.221 521 A C 1.818 179.442 177.584 0.066 0.000 1.159 521 A CA 1.511 53.584 52.037 0.061 0.000 0.662 521 A CB -0.349 18.675 19.000 0.040 0.000 0.796 521 A HN 0.351 nan 8.150 nan 0.000 0.463 522 D N -0.716 119.650 120.400 -0.056 0.000 2.312 522 D HA 0.010 4.650 4.640 -0.000 0.000 0.211 522 D C 0.466 176.569 176.300 -0.328 0.000 0.964 522 D CA 0.805 54.643 54.000 -0.270 0.000 0.877 522 D CB -0.027 40.433 40.800 -0.567 0.000 0.924 522 D HN 0.598 nan 8.370 nan 0.000 0.515 523 H N -1.499 117.638 119.070 0.111 0.000 2.797 523 H HA 0.264 4.820 4.556 -0.000 0.000 0.372 523 H C -0.763 174.400 175.328 -0.275 0.000 1.168 523 H CA -0.608 55.431 56.048 -0.016 0.000 1.163 523 H CB 1.341 31.103 29.762 -0.001 0.000 1.778 523 H HN 0.031 nan 8.280 nan 0.000 0.551 524 H N 1.134 120.044 119.070 -0.267 0.000 2.638 524 H HA 0.471 5.027 4.556 -0.000 0.000 0.317 524 H C -0.979 174.377 175.328 0.046 0.000 1.006 524 H CA -0.835 55.062 56.048 -0.251 0.000 1.222 524 H CB 0.661 30.262 29.762 -0.267 0.000 1.419 524 H HN 0.373 nan 8.280 nan 0.000 0.489 525 V N 2.509 122.582 119.914 0.265 0.000 3.001 525 V HA 0.649 4.769 4.120 -0.000 0.000 0.314 525 V C -1.020 175.158 176.094 0.140 0.000 1.099 525 V CA -0.851 61.549 62.300 0.168 0.000 0.989 525 V CB 1.836 33.694 31.823 0.058 0.000 1.040 525 V HN 0.447 nan 8.190 nan 0.000 0.434 526 V N 3.963 123.960 119.914 0.140 0.000 2.444 526 V HA 0.565 4.685 4.120 -0.000 0.000 0.294 526 V C -0.335 175.840 176.094 0.136 0.000 1.022 526 V CA -0.319 62.074 62.300 0.154 0.000 0.850 526 V CB 1.351 33.378 31.823 0.340 0.000 0.992 526 V HN 0.815 nan 8.190 nan 0.000 0.426 527 L N 3.713 125.017 121.223 0.135 0.000 2.346 527 L HA 0.672 5.012 4.340 -0.000 0.000 0.274 527 L C -0.682 176.310 176.870 0.203 0.000 1.007 527 L CA -0.524 54.412 54.840 0.160 0.000 0.818 527 L CB 2.096 44.284 42.059 0.214 0.000 1.284 527 L HN 0.499 nan 8.230 nan 0.000 0.424 528 D N 0.902 121.398 120.400 0.160 0.000 2.278 528 D HA 0.745 5.385 4.640 -0.000 0.000 0.245 528 D C -0.276 175.842 176.300 -0.302 0.000 1.052 528 D CA 0.065 54.138 54.000 0.121 0.000 0.834 528 D CB 2.187 43.169 40.800 0.302 0.000 1.194 528 D HN 0.671 nan 8.370 nan 0.000 0.481 529 G N 1.911 110.466 108.800 -0.409 0.000 2.494 529 G HA2 0.406 4.366 3.960 -0.000 0.000 0.308 529 G HA3 0.406 4.366 3.960 -0.000 0.000 0.308 529 G C -1.508 173.171 174.900 -0.368 0.000 1.263 529 G CA -0.587 43.852 45.100 -1.101 0.000 0.840 529 G HN 0.353 nan 8.290 nan 0.000 0.479 530 E N -0.321 119.693 120.200 -0.310 0.000 2.216 530 E HA 0.657 5.007 4.350 -0.000 0.000 0.260 530 E C 0.067 176.658 176.600 -0.014 0.000 0.880 530 E CA -0.371 56.075 56.400 0.076 0.000 0.765 530 E CB 1.518 31.405 29.700 0.312 0.000 1.174 530 E HN 0.848 nan 8.360 nan 0.000 0.417 531 A N 3.165 126.061 122.820 0.126 0.000 2.440 531 A HA 0.563 4.883 4.320 -0.000 0.000 0.251 531 A C -0.585 176.922 177.584 -0.128 0.000 1.089 531 A CA -0.320 51.735 52.037 0.031 0.000 0.779 531 A CB 0.699 19.677 19.000 -0.037 0.000 1.022 531 A HN 0.468 nan 8.150 nan 0.000 0.492 532 V N 2.940 122.697 119.914 -0.263 0.000 3.012 532 V HA 0.576 4.696 4.120 -0.000 0.000 0.307 532 V C -1.024 174.868 176.094 -0.335 0.000 1.166 532 V CA -0.354 61.696 62.300 -0.417 0.000 0.974 532 V CB 2.513 33.799 31.823 -0.895 0.000 1.040 532 V HN 0.789 nan 8.190 nan 0.000 0.428 533 V N 5.465 125.210 119.914 -0.281 0.000 2.638 533 V HA 0.551 4.671 4.120 -0.000 0.000 0.306 533 V C -1.093 174.910 176.094 -0.151 0.000 1.052 533 V CA -0.736 61.451 62.300 -0.188 0.000 0.885 533 V CB 1.853 33.582 31.823 -0.155 0.000 0.999 533 V HN 0.565 nan 8.190 nan 0.000 0.424 534 L N 3.148 124.313 121.223 -0.095 0.000 2.307 534 L HA 0.515 4.855 4.340 -0.000 0.000 0.282 534 L C 0.695 177.574 176.870 0.015 0.000 1.051 534 L CA -0.066 54.754 54.840 -0.033 0.000 0.804 534 L CB 0.784 42.850 42.059 0.012 0.000 1.197 534 L HN 0.631 nan 8.230 nan 0.000 0.431 535 D N 0.857 121.288 120.400 0.051 0.000 2.253 535 D HA -0.117 4.523 4.640 -0.000 0.000 0.232 535 D C 1.021 177.360 176.300 0.064 0.000 1.354 535 D CA 0.477 54.520 54.000 0.072 0.000 0.884 535 D CB 0.693 41.560 40.800 0.112 0.000 1.247 535 D HN 0.605 nan 8.370 nan 0.000 0.512 536 S N -0.672 115.065 115.700 0.062 0.000 2.383 536 S HA -0.129 4.341 4.470 -0.000 0.000 0.227 536 S C 1.630 176.271 174.600 0.068 0.000 1.026 536 S CA 1.194 59.428 58.200 0.056 0.000 0.981 536 S CB -0.050 63.178 63.200 0.048 0.000 0.818 536 S HN 0.522 nan 8.310 nan 0.000 0.472 537 S N 0.475 116.227 115.700 0.087 0.000 2.634 537 S HA 0.466 4.936 4.470 -0.000 0.000 0.221 537 S C 1.260 175.943 174.600 0.140 0.000 0.952 537 S CA 0.197 58.455 58.200 0.096 0.000 0.930 537 S CB -0.091 63.165 63.200 0.093 0.000 0.780 537 S HN 0.753 nan 8.310 nan 0.000 0.498 538 G N 0.507 109.397 108.800 0.149 0.000 2.176 538 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.252 538 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.252 538 G C -0.080 175.005 174.900 0.308 0.000 1.024 538 G CA 0.147 45.368 45.100 0.202 0.000 0.755 538 G HN 0.678 nan 8.290 nan 0.000 0.507 539 V N 0.782 120.864 119.914 0.281 0.000 2.435 539 V HA 0.471 4.591 4.120 -0.000 0.000 0.290 539 V C -1.678 174.517 176.094 0.169 0.000 1.030 539 V CA -1.940 60.585 62.300 0.374 0.000 0.881 539 V CB 1.918 33.991 31.823 0.416 0.000 0.983 539 V HN 0.074 nan 8.190 nan 0.000 0.445 540 P HA 0.071 nan 4.420 nan 0.000 0.265 540 P C -0.577 176.752 177.300 0.049 0.000 1.193 540 P CA 0.441 63.480 63.100 -0.101 0.000 0.765 540 P CB 0.523 32.087 31.700 -0.227 0.000 0.823 541 S N 3.165 118.876 115.700 0.017 0.000 2.605 541 S HA 0.322 4.792 4.470 -0.000 0.000 0.308 541 S C 0.576 175.226 174.600 0.084 0.000 1.113 541 S CA -0.656 57.594 58.200 0.084 0.000 1.049 541 S CB -0.080 63.160 63.200 0.066 0.000 1.001 541 S HN 0.375 nan 8.310 nan 0.000 0.480 542 F N 5.093 125.068 119.950 0.042 0.000 2.091 542 F HA -0.134 4.393 4.527 -0.000 0.000 0.299 542 F C 2.478 178.302 175.800 0.040 0.000 1.103 542 F CA 2.605 60.637 58.000 0.054 0.000 1.228 542 F CB -0.476 38.573 39.000 0.082 0.000 0.984 542 F HN 0.715 nan 8.300 nan 0.000 0.477 543 S N -0.370 115.394 115.700 0.107 0.000 2.428 543 S HA -0.080 4.390 4.470 -0.000 0.000 0.230 543 S C 1.245 175.785 174.600 -0.100 0.000 1.014 543 S CA 0.037 58.227 58.200 -0.016 0.000 0.957 543 S CB -0.539 62.738 63.200 0.128 0.000 0.784 543 S HN 0.417 nan 8.310 nan 0.000 0.499 547 N N 1.603 120.225 118.700 -0.130 0.000 2.336 547 N HA 0.035 4.775 4.740 -0.000 0.000 0.189 547 N C 0.230 175.697 175.510 -0.072 0.000 1.113 547 N CA -0.041 52.965 53.050 -0.073 0.000 0.858 547 N CB 0.154 38.612 38.487 -0.048 0.000 0.970 547 N HN 0.191 nan 8.380 nan 0.000 0.471 548 R N 1.816 122.255 120.500 -0.101 0.000 2.584 548 R HA -0.058 4.282 4.340 -0.000 0.000 0.315 548 R C 0.234 176.492 176.300 -0.071 0.000 0.863 548 R CA 0.259 56.301 56.100 -0.095 0.000 1.139 548 R CB -0.091 30.130 30.300 -0.132 0.000 0.880 548 R HN 0.002 nan 8.270 nan 0.000 0.413 549 G N 2.954 111.720 108.800 -0.055 0.000 2.528 549 G HA2 0.121 4.081 3.960 -0.000 0.000 0.289 549 G HA3 0.121 4.081 3.960 -0.000 0.000 0.289 549 G C 0.113 174.984 174.900 -0.049 0.000 1.192 549 G CA -0.727 44.347 45.100 -0.044 0.000 0.921 549 G HN 0.758 nan 8.290 nan 0.000 0.512 550 R N -0.530 119.944 120.500 -0.043 0.000 2.386 550 R HA 0.064 4.404 4.340 -0.000 0.000 0.216 550 R C 0.073 176.353 176.300 -0.034 0.000 1.119 550 R CA 0.303 56.375 56.100 -0.046 0.000 1.158 550 R CB 0.130 30.406 30.300 -0.041 0.000 1.057 550 R HN 0.435 nan 8.270 nan 0.000 0.489 551 D N -1.674 118.708 120.400 -0.030 0.000 2.486 551 D HA 0.040 4.680 4.640 -0.000 0.000 0.243 551 D C -0.388 175.902 176.300 -0.018 0.000 1.146 551 D CA 0.292 54.280 54.000 -0.019 0.000 0.821 551 D CB 0.829 41.620 40.800 -0.014 0.000 1.201 551 D HN 0.004 nan 8.370 nan 0.000 0.525 552 T N 1.127 115.664 114.554 -0.027 0.000 2.926 552 T HA 0.085 4.435 4.350 -0.000 0.000 0.307 552 T C 0.615 175.304 174.700 -0.019 0.000 1.059 552 T CA -0.119 61.965 62.100 -0.027 0.000 1.122 552 T CB 1.405 70.246 68.868 -0.045 0.000 0.972 552 T HN -0.057 nan 8.240 nan 0.000 0.545 553 R N 1.875 122.368 120.500 -0.011 0.000 2.347 553 R HA 0.361 4.701 4.340 -0.000 0.000 0.304 553 R C -1.224 175.070 176.300 -0.009 0.000 1.072 553 R CA -0.300 55.801 56.100 0.002 0.000 0.980 553 R CB 0.245 30.553 30.300 0.015 0.000 0.986 553 R HN 0.420 nan 8.270 nan 0.000 0.448 554 V N 4.925 124.848 119.914 0.014 0.000 2.384 554 V HA 0.258 4.378 4.120 -0.000 0.000 0.287 554 V C -0.188 175.928 176.094 0.036 0.000 1.020 554 V CA -0.682 61.627 62.300 0.016 0.000 0.850 554 V CB 1.486 33.367 31.823 0.097 0.000 0.987 554 V HN 0.818 nan 8.190 nan 0.000 0.436 555 E N 3.161 123.345 120.200 -0.026 0.000 2.248 555 E HA 0.465 4.815 4.350 -0.000 0.000 0.272 555 E C -1.352 175.274 176.600 0.043 0.000 1.008 555 E CA -0.640 55.780 56.400 0.034 0.000 0.856 555 E CB 2.258 31.992 29.700 0.058 0.000 1.120 555 E HN 0.541 nan 8.360 nan 0.000 0.397 556 F N 2.805 122.775 119.950 0.034 0.000 2.375 556 F HA 0.310 4.837 4.527 0.000 0.000 0.361 556 F C -1.469 174.456 175.800 0.208 0.000 1.117 556 F CA -1.014 57.000 58.000 0.024 0.000 1.037 556 F CB 0.555 39.546 39.000 -0.015 0.000 1.192 556 F HN 0.391 nan 8.300 nan 0.000 0.452 557 W N 6.472 127.270 121.300 -0.836 0.000 2.283 557 W HA 0.636 5.296 4.660 -0.000 0.000 0.317 557 W C -0.232 175.693 176.519 -0.990 0.000 1.042 557 W CA -1.627 55.272 57.345 -0.744 0.000 1.348 557 W CB 0.764 29.813 29.460 -0.686 0.000 1.216 557 W HN 0.740 nan 8.180 nan 0.000 0.404 558 A N 4.403 126.850 122.820 -0.621 0.000 2.366 558 A HA 0.575 4.895 4.320 -0.000 0.000 0.272 558 A C -0.206 177.275 177.584 -0.172 0.000 1.135 558 A CA -0.175 51.553 52.037 -0.514 0.000 0.804 558 A CB -0.051 18.860 19.000 -0.149 0.000 1.064 558 A HN 0.579 nan 8.150 nan 0.000 0.499 559 F N -0.926 119.045 119.950 0.036 0.000 2.915 559 F HA 0.475 5.002 4.527 -0.000 0.000 0.347 559 F C -0.397 175.492 175.800 0.148 0.000 1.104 559 F CA -0.981 57.081 58.000 0.103 0.000 1.126 559 F CB 0.221 39.312 39.000 0.152 0.000 1.145 559 F HN 0.382 nan 8.300 nan 0.000 0.541 560 D N 0.875 121.442 120.400 0.280 0.000 2.609 560 D HA 0.447 5.087 4.640 -0.000 0.000 0.239 560 D C -1.972 174.395 176.300 0.112 0.000 1.229 560 D CA -0.278 53.885 54.000 0.271 0.000 0.808 560 D CB 3.216 44.320 40.800 0.506 0.000 1.448 560 D HN 0.099 nan 8.370 nan 0.000 0.433 561 L N 2.774 124.027 121.223 0.050 0.000 2.343 561 L HA 0.426 4.766 4.340 -0.000 0.000 0.278 561 L C -0.202 176.647 176.870 -0.035 0.000 0.996 561 L CA -0.245 54.595 54.840 -0.000 0.000 0.831 561 L CB 1.215 43.250 42.059 -0.040 0.000 1.232 561 L HN 0.478 nan 8.230 nan 0.000 0.413 562 L N 4.913 126.120 121.223 -0.028 0.000 2.638 562 L HA 0.343 4.683 4.340 -0.000 0.000 0.232 562 L C -0.850 175.958 176.870 -0.102 0.000 1.099 562 L CA -0.129 54.681 54.840 -0.049 0.000 0.883 562 L CB 0.239 42.300 42.059 0.003 0.000 1.136 562 L HN 0.588 nan 8.230 nan 0.000 0.492 563 Y N 0.562 120.692 120.300 -0.283 0.000 2.409 563 Y HA 0.503 5.053 4.550 -0.000 0.000 0.321 563 Y C -1.981 173.739 175.900 -0.300 0.000 1.209 563 Y CA -1.302 56.519 58.100 -0.466 0.000 1.086 563 Y CB 1.621 39.658 38.460 -0.705 0.000 1.320 563 Y HN -0.154 nan 8.280 nan 0.000 0.440 564 L N 6.797 127.638 121.223 -0.638 0.000 2.504 564 L HA 0.523 4.863 4.340 -0.000 0.000 0.265 564 L C -0.992 175.593 176.870 -0.474 0.000 0.975 564 L CA -0.299 54.314 54.840 -0.379 0.000 0.864 564 L CB 1.306 43.219 42.059 -0.244 0.000 1.212 564 L HN 0.790 nan 8.230 nan 0.000 0.416 565 D N 4.589 124.829 120.400 -0.267 0.000 2.686 565 D HA -0.163 4.477 4.640 -0.000 0.000 0.235 565 D C 1.096 177.271 176.300 -0.208 0.000 1.160 565 D CA 1.759 55.703 54.000 -0.093 0.000 0.645 565 D CB -1.064 39.760 40.800 0.041 0.000 1.039 565 D HN 1.277 nan 8.370 nan 0.000 0.423 566 G N -0.393 108.131 108.800 -0.459 0.000 2.259 566 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.217 566 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.217 566 G C 0.360 174.957 174.900 -0.505 0.000 1.001 566 G CA 0.118 45.039 45.100 -0.298 0.000 0.627 566 G HN 0.593 nan 8.290 nan 0.000 0.501 567 R N 1.293 121.376 120.500 -0.696 0.000 2.207 567 R HA 0.681 5.021 4.340 -0.000 0.000 0.334 567 R C 0.435 176.279 176.300 -0.760 0.000 1.013 567 R CA 0.255 56.030 56.100 -0.542 0.000 0.858 567 R CB 0.673 30.761 30.300 -0.354 0.000 1.094 567 R HN 0.528 nan 8.270 nan 0.000 0.457 568 A N 5.055 127.572 122.820 -0.504 0.000 2.363 568 A HA 0.292 4.612 4.320 -0.000 0.000 0.270 568 A C 0.364 177.801 177.584 -0.245 0.000 1.121 568 A CA -0.427 51.349 52.037 -0.436 0.000 0.800 568 A CB 0.398 19.280 19.000 -0.196 0.000 1.052 568 A HN 0.913 nan 8.150 nan 0.000 0.493 569 L N 2.882 123.984 121.223 -0.202 0.000 2.959 569 L HA 0.164 4.503 4.340 -0.000 0.000 0.259 569 L C 1.253 178.134 176.870 0.019 0.000 1.185 569 L CA 0.040 54.824 54.840 -0.094 0.000 0.998 569 L CB -0.097 41.893 42.059 -0.116 0.000 1.337 569 L HN 0.778 nan 8.230 nan 0.000 0.555 570 L N 0.287 121.559 121.223 0.083 0.000 2.083 570 L HA -0.074 4.266 4.340 -0.000 0.000 0.209 570 L C 2.055 179.019 176.870 0.157 0.000 1.083 570 L CA 1.540 56.489 54.840 0.182 0.000 0.752 570 L CB -0.506 41.704 42.059 0.251 0.000 0.899 570 L HN 0.399 nan 8.230 nan 0.000 0.433 571 G N -1.112 107.746 108.800 0.098 0.000 3.448 571 G HA2 0.094 4.054 3.960 -0.000 0.000 0.261 571 G HA3 0.094 4.054 3.960 -0.000 0.000 0.261 571 G C 0.251 175.181 174.900 0.051 0.000 1.173 571 G CA -0.112 45.031 45.100 0.071 0.000 0.835 571 G HN 0.086 nan 8.290 nan 0.000 0.534 572 T N 1.056 115.643 114.554 0.054 0.000 2.867 572 T HA 0.398 4.748 4.350 -0.000 0.000 0.282 572 T C 0.536 175.277 174.700 0.069 0.000 1.000 572 T CA -0.691 61.430 62.100 0.035 0.000 1.042 572 T CB 1.271 70.140 68.868 0.001 0.000 0.973 572 T HN 0.515 nan 8.240 nan 0.000 0.465 573 R N 2.779 123.312 120.500 0.054 0.000 2.623 573 R HA 0.082 4.422 4.340 -0.000 0.000 0.271 573 R C 0.851 177.225 176.300 0.123 0.000 1.043 573 R CA -0.330 55.821 56.100 0.084 0.000 1.083 573 R CB 0.116 30.445 30.300 0.048 0.000 0.974 573 R HN 0.778 nan 8.270 nan 0.000 0.436 574 Y N 2.234 122.571 120.300 0.061 0.000 2.062 574 Y HA -0.402 4.148 4.550 -0.000 0.000 0.276 574 Y C 2.212 178.132 175.900 0.033 0.000 1.189 574 Y CA 2.410 60.560 58.100 0.082 0.000 1.130 574 Y CB -0.034 38.476 38.460 0.084 0.000 0.959 574 Y HN 0.699 nan 8.280 nan 0.000 0.499 575 Q N 0.333 120.231 119.800 0.164 0.000 2.103 575 Q HA -0.289 4.051 4.340 -0.000 0.000 0.213 575 Q C 1.862 177.822 176.000 -0.066 0.000 1.008 575 Q CA 2.411 58.239 55.803 0.042 0.000 0.879 575 Q CB -0.620 28.147 28.738 0.049 0.000 0.946 575 Q HN 0.649 nan 8.270 nan 0.000 0.413 576 D N -0.695 119.677 120.400 -0.047 0.000 2.123 576 D HA -0.090 4.550 4.640 -0.000 0.000 0.200 576 D C 2.087 178.328 176.300 -0.098 0.000 0.976 576 D CA 0.744 54.708 54.000 -0.060 0.000 0.831 576 D CB -0.191 40.587 40.800 -0.036 0.000 0.974 576 D HN 0.263 nan 8.370 nan 0.000 0.469 577 R N 0.543 120.972 120.500 -0.118 0.000 2.081 577 R HA -0.086 4.254 4.340 -0.000 0.000 0.235 577 R C 2.309 178.495 176.300 -0.190 0.000 1.131 577 R CA 0.929 56.951 56.100 -0.130 0.000 0.960 577 R CB -0.203 30.046 30.300 -0.085 0.000 0.856 577 R HN 0.021 nan 8.270 nan 0.000 0.436 578 R N 1.800 122.102 120.500 -0.330 0.000 2.096 578 R HA -0.146 4.194 4.340 -0.000 0.000 0.235 578 R C 2.003 178.207 176.300 -0.161 0.000 1.127 578 R CA 1.738 57.645 56.100 -0.322 0.000 0.968 578 R CB -0.194 29.810 30.300 -0.492 0.000 0.861 578 R HN -0.030 nan 8.270 nan 0.000 0.440 579 K N -0.483 119.839 120.400 -0.130 0.000 2.057 579 K HA -0.081 4.239 4.320 -0.000 0.000 0.207 579 K C 1.671 178.224 176.600 -0.078 0.000 1.049 579 K CA 1.284 57.523 56.287 -0.081 0.000 0.931 579 K CB -0.260 32.200 32.500 -0.066 0.000 0.714 579 K HN 0.116 nan 8.250 nan 0.000 0.440 580 L N 0.480 121.649 121.223 -0.091 0.000 2.093 580 L HA -0.046 4.294 4.340 -0.000 0.000 0.208 580 L C 2.072 178.886 176.870 -0.094 0.000 1.085 580 L CA 1.235 56.020 54.840 -0.093 0.000 0.755 580 L CB -0.865 41.132 42.059 -0.103 0.000 0.904 580 L HN 0.265 nan 8.230 nan 0.000 0.435 581 L N -0.645 120.525 121.223 -0.088 0.000 2.056 581 L HA -0.128 4.212 4.340 -0.000 0.000 0.207 581 L C 2.454 179.288 176.870 -0.060 0.000 1.078 581 L CA 1.546 56.345 54.840 -0.069 0.000 0.749 581 L CB -0.550 41.478 42.059 -0.052 0.000 0.901 581 L HN 0.270 nan 8.230 nan 0.000 0.433 582 E N -0.553 119.612 120.200 -0.057 0.000 2.085 582 E HA -0.259 4.091 4.350 -0.000 0.000 0.194 582 E C 2.104 178.678 176.600 -0.043 0.000 0.994 582 E CA 2.005 58.379 56.400 -0.043 0.000 0.801 582 E CB -0.649 29.029 29.700 -0.036 0.000 0.743 582 E HN 0.737 nan 8.360 nan 0.000 0.453 583 T N -0.051 114.471 114.554 -0.053 0.000 2.821 583 T HA -0.069 4.281 4.350 -0.000 0.000 0.267 583 T C 2.199 176.862 174.700 -0.063 0.000 1.046 583 T CA 0.529 62.599 62.100 -0.050 0.000 1.139 583 T CB -0.363 68.474 68.868 -0.051 0.000 0.871 583 T HN 0.049 nan 8.240 nan 0.000 0.454 584 L N 0.901 122.068 121.223 -0.093 0.000 2.043 584 L HA -0.074 4.266 4.340 -0.000 0.000 0.212 584 L C 3.326 180.164 176.870 -0.052 0.000 1.075 584 L CA 1.576 56.349 54.840 -0.111 0.000 0.752 584 L CB -0.788 41.195 42.059 -0.127 0.000 0.891 584 L HN 0.468 nan 8.230 nan 0.000 0.432 585 A N -0.269 122.527 122.820 -0.040 0.000 1.969 585 A HA -0.170 4.150 4.320 -0.000 0.000 0.218 585 A C 1.919 179.493 177.584 -0.017 0.000 1.169 585 A CA 1.559 53.581 52.037 -0.025 0.000 0.635 585 A CB -0.415 18.566 19.000 -0.032 0.000 0.810 585 A HN 0.469 nan 8.150 nan 0.000 0.445 586 N N 0.043 118.732 118.700 -0.018 0.000 2.409 586 N HA 0.041 4.781 4.740 -0.000 0.000 0.179 586 N C 1.481 176.992 175.510 0.002 0.000 1.032 586 N CA 1.196 54.241 53.050 -0.008 0.000 0.898 586 N CB -0.162 38.319 38.487 -0.010 0.000 0.971 586 N HN 0.482 nan 8.380 nan 0.000 0.441 587 A N 0.006 122.828 122.820 0.004 0.000 2.220 587 A HA 0.152 4.472 4.320 -0.000 0.000 0.211 587 A C 1.129 178.737 177.584 0.041 0.000 1.176 587 A CA 0.595 52.647 52.037 0.026 0.000 0.834 587 A CB 0.093 19.117 19.000 0.040 0.000 0.868 587 A HN 0.353 nan 8.150 nan 0.000 0.488 588 T N -5.009 109.563 114.554 0.031 0.000 2.716 588 T HA 0.432 4.782 4.350 -0.000 0.000 0.286 588 T C 0.357 175.074 174.700 0.030 0.000 1.052 588 T CA 0.313 62.438 62.100 0.041 0.000 1.024 588 T CB 1.158 70.059 68.868 0.055 0.000 1.349 588 T HN -0.108 nan 8.240 nan 0.000 0.525 589 S N 0.026 115.748 115.700 0.037 0.000 2.605 589 S HA 0.210 4.680 4.470 -0.000 0.000 0.217 589 S C 0.537 175.161 174.600 0.040 0.000 0.958 589 S CA -0.489 57.732 58.200 0.035 0.000 0.919 589 S CB -0.688 62.537 63.200 0.041 0.000 0.780 589 S HN 0.594 nan 8.310 nan 0.000 0.507 590 L N 3.524 124.773 121.223 0.042 0.000 2.540 590 L HA 0.092 4.432 4.340 -0.000 0.000 0.276 590 L C -0.051 176.828 176.870 0.016 0.000 1.212 590 L CA 0.920 55.794 54.840 0.056 0.000 0.893 590 L CB 0.047 42.136 42.059 0.051 0.000 1.138 590 L HN -0.023 nan 8.230 nan 0.000 0.491 591 T N 5.294 119.855 114.554 0.012 0.000 2.729 591 T HA 0.417 4.767 4.350 -0.000 0.000 0.296 591 T C -0.253 174.348 174.700 -0.165 0.000 0.928 591 T CA -0.333 61.712 62.100 -0.093 0.000 1.045 591 T CB 0.475 69.292 68.868 -0.085 0.000 0.902 591 T HN 0.381 nan 8.240 nan 0.000 0.500 592 V N 6.998 126.808 119.914 -0.173 0.000 2.340 592 V HA 0.282 4.402 4.120 -0.000 0.000 0.277 592 V C -2.179 173.813 176.094 -0.170 0.000 1.017 592 V CA -1.962 60.252 62.300 -0.143 0.000 0.820 592 V CB 1.058 32.843 31.823 -0.064 0.000 1.028 592 V HN 0.690 nan 8.190 nan 0.000 0.436 593 P HA 0.058 nan 4.420 nan 0.000 0.264 593 P C 0.110 177.406 177.300 -0.007 0.000 1.179 593 P CA 0.253 63.227 63.100 -0.210 0.000 0.763 593 P CB 0.558 32.152 31.700 -0.177 0.000 0.806 594 E N 1.887 122.106 120.200 0.031 0.000 2.373 594 E HA 0.148 4.498 4.350 -0.000 0.000 0.263 594 E C 0.308 176.988 176.600 0.132 0.000 1.073 594 E CA -0.509 55.935 56.400 0.074 0.000 0.894 594 E CB 0.658 30.404 29.700 0.077 0.000 1.008 594 E HN 0.378 nan 8.360 nan 0.000 0.420 595 L N 1.925 123.222 121.223 0.123 0.000 2.483 595 L HA 0.059 4.399 4.340 -0.000 0.000 0.275 595 L C 0.333 177.308 176.870 0.175 0.000 1.220 595 L CA -0.071 54.858 54.840 0.149 0.000 0.833 595 L CB -0.023 42.115 42.059 0.132 0.000 1.102 595 L HN 0.264 nan 8.230 nan 0.000 0.490 596 L N 3.986 125.341 121.223 0.219 0.000 2.276 596 L HA 0.382 4.721 4.340 -0.000 0.000 0.286 596 L C -1.913 175.091 176.870 0.223 0.000 1.061 596 L CA -1.723 53.245 54.840 0.213 0.000 0.807 596 L CB 0.766 42.953 42.059 0.214 0.000 1.177 596 L HN 0.416 nan 8.230 nan 0.000 0.429 597 P HA 0.397 nan 4.420 nan 0.000 0.277 597 P C 0.224 177.597 177.300 0.121 0.000 1.271 597 P CA 0.136 63.323 63.100 0.144 0.000 0.795 597 P CB 1.182 32.939 31.700 0.095 0.000 1.101 598 G N 0.320 109.193 108.800 0.122 0.000 2.681 598 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.220 598 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.220 598 G C -0.841 174.126 174.900 0.112 0.000 1.353 598 G CA -0.264 44.882 45.100 0.076 0.000 0.872 598 G HN 0.558 nan 8.290 nan 0.000 0.557 599 D N -0.294 120.111 120.400 0.009 0.000 2.511 599 D HA 0.514 5.154 4.640 -0.000 0.000 0.276 599 D C 1.874 177.876 176.300 -0.497 0.000 1.220 599 D CA 0.510 54.485 54.000 -0.041 0.000 1.077 599 D CB -0.281 40.531 40.800 0.020 0.000 1.126 599 D HN 0.828 nan 8.370 nan 0.000 0.583 600 G N -0.034 108.451 108.800 -0.524 0.000 2.514 600 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.217 600 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.217 600 G C 1.407 176.027 174.900 -0.466 0.000 1.198 600 G CA 1.858 46.508 45.100 -0.750 0.000 0.780 600 G HN 0.486 nan 8.290 nan 0.000 0.565 601 A N 0.279 122.971 122.820 -0.213 0.000 1.865 601 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 601 A C 2.368 179.923 177.584 -0.049 0.000 1.191 601 A CA 2.195 54.199 52.037 -0.056 0.000 0.623 601 A CB -0.610 18.369 19.000 -0.036 0.000 0.826 601 A HN 0.481 nan 8.150 nan 0.000 0.444 602 Q N -0.778 118.958 119.800 -0.106 0.000 2.061 602 Q HA -0.130 4.210 4.340 -0.000 0.000 0.204 602 Q C 2.480 178.437 176.000 -0.072 0.000 0.984 602 Q CA 1.541 57.300 55.803 -0.074 0.000 0.846 602 Q CB -0.453 28.248 28.738 -0.061 0.000 0.902 602 Q HN 0.690 nan 8.270 nan 0.000 0.421 603 A N 0.718 123.415 122.820 -0.205 0.000 1.892 603 A HA -0.235 4.085 4.320 -0.000 0.000 0.218 603 A C 1.911 179.516 177.584 0.035 0.000 1.188 603 A CA 1.335 53.267 52.037 -0.176 0.000 0.631 603 A CB -1.106 17.531 19.000 -0.604 0.000 0.822 603 A HN 0.488 nan 8.150 nan 0.000 0.447 604 F N 0.067 119.908 119.950 -0.181 0.000 2.126 604 F HA -0.211 4.316 4.527 -0.000 0.000 0.299 604 F C 2.745 178.550 175.800 0.010 0.000 1.096 604 F CA 0.633 58.600 58.000 -0.054 0.000 1.255 604 F CB -0.033 38.907 39.000 -0.100 0.000 0.997 604 F HN 0.348 nan 8.300 nan 0.000 0.479 605 A N -1.322 121.547 122.820 0.082 0.000 2.019 605 A HA -0.271 4.049 4.320 -0.000 0.000 0.219 605 A C 2.155 179.726 177.584 -0.020 0.000 1.164 605 A CA 1.516 53.526 52.037 -0.046 0.000 0.644 605 A CB -1.518 17.448 19.000 -0.056 0.000 0.805 605 A HN 0.614 nan 8.150 nan 0.000 0.449 606 C N -1.389 117.941 119.300 0.051 0.000 2.467 606 C HA 0.052 4.512 4.460 -0.000 0.000 0.279 606 C C 3.042 178.118 174.990 0.144 0.000 1.347 606 C CA 1.288 60.353 59.018 0.078 0.000 1.748 606 C CB -1.034 26.768 27.740 0.103 0.000 1.977 606 C HN 0.569 nan 8.230 nan 0.000 0.501 607 S N -0.070 115.770 115.700 0.234 0.000 2.368 607 S HA -0.123 4.347 4.470 -0.000 0.000 0.225 607 S C 2.150 176.883 174.600 0.222 0.000 1.030 607 S CA 1.224 59.660 58.200 0.392 0.000 0.999 607 S CB -0.372 63.191 63.200 0.605 0.000 0.844 607 S HN 0.704 nan 8.310 nan 0.000 0.459 608 R N 0.913 121.392 120.500 -0.035 0.000 2.080 608 R HA -0.081 4.259 4.340 -0.000 0.000 0.236 608 R C 2.527 178.724 176.300 -0.172 0.000 1.137 608 R CA 1.428 57.339 56.100 -0.315 0.000 0.943 608 R CB -0.404 29.611 30.300 -0.475 0.000 0.846 608 R HN 0.265 nan 8.270 nan 0.000 0.431 609 K N 0.488 120.801 120.400 -0.144 0.000 2.113 609 K HA -0.213 4.107 4.320 -0.000 0.000 0.208 609 K C 1.611 178.037 176.600 -0.291 0.000 1.047 609 K CA 1.805 57.976 56.287 -0.193 0.000 0.928 609 K CB -0.183 32.200 32.500 -0.195 0.000 0.716 609 K HN 0.354 nan 8.250 nan 0.000 0.446 610 H N -1.621 117.224 119.070 -0.376 0.000 2.529 610 H HA 0.070 4.626 4.556 -0.000 0.000 0.277 610 H C 1.082 176.190 175.328 -0.366 0.000 0.999 610 H CA 1.179 56.843 56.048 -0.640 0.000 1.256 610 H CB 0.309 29.065 29.762 -1.676 0.000 1.402 610 H HN 0.549 nan 8.280 nan 0.000 0.566 611 G N -1.073 107.710 108.800 -0.027 0.000 2.132 611 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.228 611 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.228 611 G C -0.544 174.592 174.900 0.392 0.000 1.000 611 G CA -0.144 45.038 45.100 0.135 0.000 0.693 611 G HN 0.126 nan 8.290 nan 0.000 0.515 612 W N 0.896 122.370 121.300 0.289 0.000 2.417 612 W HA 0.565 5.225 4.660 -0.000 0.000 0.317 612 W C 1.262 177.977 176.519 0.326 0.000 1.121 612 W CA -0.818 56.726 57.345 0.332 0.000 1.208 612 W CB 1.083 30.750 29.460 0.344 0.000 1.253 612 W HN 0.417 nan 8.180 nan 0.000 0.533 613 E N 1.943 122.378 120.200 0.392 0.000 2.130 613 E HA -0.012 4.338 4.350 -0.000 0.000 0.196 613 E C 0.864 177.380 176.600 -0.139 0.000 0.998 613 E CA 1.833 58.345 56.400 0.186 0.000 0.806 613 E CB 0.093 29.866 29.700 0.121 0.000 0.738 613 E HN 0.504 nan 8.360 nan 0.000 0.459 614 G N -0.948 107.726 108.800 -0.211 0.000 2.494 614 G HA2 0.422 4.382 3.960 -0.000 0.000 0.308 614 G HA3 0.422 4.382 3.960 -0.000 0.000 0.308 614 G C -1.269 173.531 174.900 -0.168 0.000 1.263 614 G CA -0.366 44.542 45.100 -0.320 0.000 0.840 614 G HN 0.589 nan 8.290 nan 0.000 0.479 615 V N -1.728 118.030 119.914 -0.260 0.000 3.102 615 V HA 0.876 4.996 4.120 -0.000 0.000 0.312 615 V C -1.081 174.794 176.094 -0.365 0.000 1.135 615 V CA -1.178 60.943 62.300 -0.297 0.000 1.022 615 V CB 1.902 33.605 31.823 -0.200 0.000 1.056 615 V HN 0.790 nan 8.190 nan 0.000 0.436 616 I N 3.072 123.419 120.570 -0.373 0.000 2.418 616 I HA 0.738 4.908 4.170 -0.000 0.000 0.287 616 I C 0.211 176.131 176.117 -0.328 0.000 1.008 616 I CA -0.728 60.343 61.300 -0.382 0.000 1.104 616 I CB 1.694 39.392 38.000 -0.502 0.000 1.264 616 I HN 0.960 nan 8.210 nan 0.000 0.438 617 A N 7.096 129.758 122.820 -0.264 0.000 2.292 617 A HA 0.711 5.031 4.320 -0.000 0.000 0.319 617 A C -0.542 176.980 177.584 -0.104 0.000 1.206 617 A CA -0.597 51.321 52.037 -0.198 0.000 0.835 617 A CB 0.702 19.561 19.000 -0.236 0.000 1.164 617 A HN 0.725 nan 8.150 nan 0.000 0.505 618 K N 2.546 122.810 120.400 -0.227 0.000 2.426 618 K HA 0.357 4.677 4.320 -0.000 0.000 0.254 618 K C -0.767 175.545 176.600 -0.479 0.000 0.936 618 K CA -0.626 55.395 56.287 -0.442 0.000 0.801 618 K CB 2.576 34.388 32.500 -1.146 0.000 1.139 618 K HN 0.722 nan 8.250 nan 0.000 0.424 619 R N 2.129 122.303 120.500 -0.543 0.000 2.522 619 R HA 0.034 4.374 4.340 -0.000 0.000 0.284 619 R C 0.987 176.994 176.300 -0.488 0.000 1.032 619 R CA 0.261 55.840 56.100 -0.870 0.000 1.049 619 R CB 0.462 30.235 30.300 -0.879 0.000 0.956 619 R HN 0.554 nan 8.270 nan 0.000 0.422 620 R N 1.565 121.827 120.500 -0.396 0.000 2.148 620 R HA -0.126 4.214 4.340 -0.000 0.000 0.227 620 R C 0.967 177.257 176.300 -0.017 0.000 1.103 620 R CA 1.509 57.551 56.100 -0.096 0.000 0.983 620 R CB -0.070 30.191 30.300 -0.065 0.000 0.874 620 R HN 0.678 nan 8.270 nan 0.000 0.451 621 D N 0.579 120.908 120.400 -0.118 0.000 2.355 621 D HA -0.069 4.571 4.640 -0.000 0.000 0.218 621 D C 0.192 176.482 176.300 -0.017 0.000 1.004 621 D CA 0.072 54.035 54.000 -0.063 0.000 0.880 621 D CB -0.013 40.727 40.800 -0.100 0.000 0.911 621 D HN 0.041 nan 8.370 nan 0.000 0.528 622 S N -0.187 115.515 115.700 0.004 0.000 2.513 622 S HA 0.382 4.852 4.470 -0.000 0.000 0.276 622 S C 0.371 175.045 174.600 0.123 0.000 1.254 622 S CA -1.029 57.192 58.200 0.035 0.000 1.053 622 S CB 1.611 64.821 63.200 0.016 0.000 0.958 622 S HN 0.030 nan 8.310 nan 0.000 0.491 623 R N 0.912 121.459 120.500 0.078 0.000 2.863 623 R HA 0.132 4.472 4.340 -0.000 0.000 0.273 623 R C -0.601 175.781 176.300 0.136 0.000 1.057 623 R CA -0.212 55.955 56.100 0.111 0.000 1.191 623 R CB 0.274 30.612 30.300 0.064 0.000 1.104 623 R HN 0.771 nan 8.270 nan 0.000 0.519 624 Y N 0.817 121.158 120.300 0.069 0.000 2.350 624 Y HA 0.095 4.645 4.550 -0.000 0.000 0.340 624 Y C -0.407 175.480 175.900 -0.022 0.000 1.006 624 Y CA -0.070 58.052 58.100 0.037 0.000 1.166 624 Y CB 0.995 39.527 38.460 0.120 0.000 1.168 624 Y HN 0.389 nan 8.280 nan 0.000 0.502 625 Q N 8.579 128.165 119.800 -0.357 0.000 2.506 625 Q HA 0.315 4.655 4.340 -0.000 0.000 0.242 625 Q C -2.485 173.360 176.000 -0.258 0.000 1.060 625 Q CA -2.331 53.343 55.803 -0.215 0.000 0.826 625 Q CB 1.152 29.749 28.738 -0.236 0.000 1.169 625 Q HN 0.494 nan 8.270 nan 0.000 0.521 626 P HA -0.007 nan 4.420 nan 0.000 0.263 626 P C 0.550 177.825 177.300 -0.041 0.000 1.195 626 P CA 0.715 63.853 63.100 0.064 0.000 0.762 626 P CB 0.688 32.474 31.700 0.145 0.000 0.799 627 G N 1.955 110.720 108.800 -0.059 0.000 2.198 627 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.260 627 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.260 627 G C 0.138 174.984 174.900 -0.089 0.000 1.025 627 G CA -0.159 44.905 45.100 -0.060 0.000 0.769 627 G HN 0.639 nan 8.290 nan 0.000 0.507 628 R N -0.802 119.608 120.500 -0.150 0.000 2.599 628 R HA 0.621 4.961 4.340 -0.000 0.000 0.295 628 R C 0.275 176.467 176.300 -0.179 0.000 0.963 628 R CA -1.013 54.998 56.100 -0.148 0.000 0.883 628 R CB 0.938 31.142 30.300 -0.159 0.000 1.171 628 R HN 0.206 nan 8.270 nan 0.000 0.450 629 R N 3.675 124.105 120.500 -0.117 0.000 2.220 629 R HA 0.300 4.640 4.340 -0.000 0.000 0.340 629 R C -1.181 175.061 176.300 -0.098 0.000 1.076 629 R CA -0.222 55.821 56.100 -0.095 0.000 0.920 629 R CB 0.091 30.366 30.300 -0.042 0.000 1.062 629 R HN 0.590 nan 8.270 nan 0.000 0.469 630 C N 2.921 122.139 119.300 -0.137 0.000 2.454 630 C HA 0.501 4.961 4.460 -0.000 0.000 0.336 630 C C 1.629 176.616 174.990 -0.004 0.000 1.189 630 C CA -0.640 58.312 59.018 -0.111 0.000 1.877 630 C CB 1.431 29.035 27.740 -0.226 0.000 2.348 630 C HN 0.960 nan 8.230 nan 0.000 0.508 631 A N 1.280 124.116 122.820 0.026 0.000 2.067 631 A HA -0.054 4.266 4.320 -0.000 0.000 0.217 631 A C 2.082 179.786 177.584 0.200 0.000 1.156 631 A CA 1.698 53.793 52.037 0.098 0.000 0.683 631 A CB -0.599 18.449 19.000 0.079 0.000 0.808 631 A HN 1.050 nan 8.150 nan 0.000 0.455 632 S N -2.409 113.377 115.700 0.144 0.000 2.515 632 S HA -0.035 4.435 4.470 -0.000 0.000 0.231 632 S C -0.081 174.800 174.600 0.469 0.000 0.987 632 S CA -0.001 58.307 58.200 0.179 0.000 0.936 632 S CB -0.324 62.895 63.200 0.032 0.000 0.766 632 S HN 0.489 nan 8.310 nan 0.000 0.528 633 W N 1.292 122.627 121.300 0.058 0.000 2.471 633 W HA 0.667 5.327 4.660 -0.000 0.000 0.318 633 W C -1.136 175.387 176.519 0.007 0.000 1.034 633 W CA -1.554 55.805 57.345 0.024 0.000 1.224 633 W CB 1.356 30.777 29.460 -0.064 0.000 1.335 633 W HN -0.215 nan 8.180 nan 0.000 0.452 634 V N 4.726 124.703 119.914 0.105 0.000 2.487 634 V HA 0.442 4.562 4.120 -0.000 0.000 0.298 634 V C -0.181 175.810 176.094 -0.172 0.000 1.028 634 V CA -1.328 60.931 62.300 -0.068 0.000 0.860 634 V CB 1.486 33.168 31.823 -0.236 0.000 0.991 634 V HN 0.410 nan 8.190 nan 0.000 0.427 635 K N 2.312 122.612 120.400 -0.167 0.000 2.203 635 K HA 0.877 5.197 4.320 -0.000 0.000 0.251 635 K C -1.378 175.031 176.600 -0.318 0.000 0.944 635 K CA -0.779 55.370 56.287 -0.230 0.000 0.829 635 K CB 2.572 34.982 32.500 -0.151 0.000 1.125 635 K HN 0.479 nan 8.250 nan 0.000 0.430 636 D N 1.680 121.871 120.400 -0.348 0.000 2.977 636 D HA 0.267 4.907 4.640 -0.000 0.000 0.220 636 D C -1.538 174.611 176.300 -0.252 0.000 1.267 636 D CA -0.510 53.267 54.000 -0.371 0.000 0.884 636 D CB 1.684 42.175 40.800 -0.515 0.000 1.667 636 D HN 0.594 nan 8.370 nan 0.000 0.536 637 K N 1.716 122.038 120.400 -0.130 0.000 2.208 637 K HA 0.403 4.723 4.320 -0.000 0.000 0.247 637 K C 0.879 177.455 176.600 -0.041 0.000 0.953 637 K CA -0.676 55.549 56.287 -0.103 0.000 0.837 637 K CB 1.584 34.043 32.500 -0.067 0.000 1.131 637 K HN 0.388 nan 8.250 nan 0.000 0.431 638 H N 0.396 119.428 119.070 -0.063 0.000 2.321 638 H HA -0.090 4.466 4.556 -0.000 0.000 0.300 638 H C -0.228 174.820 175.328 -0.468 0.000 1.087 638 H CA 1.318 57.066 56.048 -0.500 0.000 1.319 638 H CB 0.074 29.380 29.762 -0.760 0.000 1.379 638 H HN 0.445 nan 8.280 nan 0.000 0.501 639 W N 1.599 122.884 121.300 -0.025 0.000 2.478 639 W HA 0.373 5.033 4.660 -0.000 0.000 0.318 639 W C -0.166 176.234 176.519 -0.197 0.000 1.062 639 W CA -0.922 56.347 57.345 -0.127 0.000 1.210 639 W CB 0.945 30.365 29.460 -0.066 0.000 1.325 639 W HN 0.055 nan 8.180 nan 0.000 0.496 640 N N 1.047 119.662 118.700 -0.142 0.000 2.469 640 N HA 0.553 5.293 4.740 -0.000 0.000 0.286 640 N C -1.125 174.243 175.510 -0.236 0.000 1.275 640 N CA -0.687 52.199 53.050 -0.272 0.000 0.790 640 N CB 2.308 40.471 38.487 -0.541 0.000 1.446 640 N HN 0.177 nan 8.380 nan 0.000 0.501 641 T N 0.686 115.250 114.554 0.017 0.000 2.893 641 T HA 0.443 4.793 4.350 -0.000 0.000 0.291 641 T C -0.870 173.997 174.700 0.278 0.000 1.028 641 T CA -0.524 61.657 62.100 0.135 0.000 0.995 641 T CB 2.087 70.982 68.868 0.045 0.000 1.051 641 T HN 0.438 nan 8.240 nan 0.000 0.470 642 Q N 2.161 122.080 119.800 0.198 0.000 2.284 642 Q HA 0.311 4.651 4.340 -0.000 0.000 0.269 642 Q C -1.149 174.862 176.000 0.018 0.000 1.026 642 Q CA -0.754 55.115 55.803 0.110 0.000 0.831 642 Q CB 1.371 30.086 28.738 -0.038 0.000 1.322 642 Q HN 0.769 nan 8.270 nan 0.000 0.419 643 E N 2.689 122.905 120.200 0.026 0.000 2.338 643 E HA 0.494 4.844 4.350 -0.000 0.000 0.272 643 E C -0.437 176.171 176.600 0.013 0.000 1.029 643 E CA -0.612 55.785 56.400 -0.004 0.000 0.872 643 E CB 1.086 30.786 29.700 -0.000 0.000 1.015 643 E HN 0.440 nan 8.360 nan 0.000 0.417 644 V N 0.244 120.159 119.914 0.000 0.000 3.102 644 V HA 0.648 4.768 4.120 -0.000 0.000 0.312 644 V C -0.621 175.507 176.094 0.055 0.000 1.135 644 V CA -1.079 61.244 62.300 0.039 0.000 1.022 644 V CB 1.838 33.685 31.823 0.040 0.000 1.056 644 V HN 0.564 nan 8.190 nan 0.000 0.436 645 V N 2.710 122.674 119.914 0.084 0.000 2.483 645 V HA 0.510 4.630 4.120 -0.000 0.000 0.295 645 V C -0.091 176.081 176.094 0.131 0.000 1.035 645 V CA -0.442 61.908 62.300 0.084 0.000 0.896 645 V CB 1.455 33.307 31.823 0.049 0.000 0.986 645 V HN 0.773 nan 8.190 nan 0.000 0.447 646 I N 3.477 124.136 120.570 0.149 0.000 2.471 646 I HA 0.367 4.537 4.170 -0.000 0.000 0.286 646 I C 1.322 177.529 176.117 0.150 0.000 1.079 646 I CA 0.930 62.353 61.300 0.204 0.000 1.398 646 I CB 1.282 39.419 38.000 0.228 0.000 1.403 646 I HN 0.754 nan 8.210 nan 0.000 0.530 647 G N 3.617 112.543 108.800 0.210 0.000 3.079 647 G HA2 0.592 4.552 3.960 -0.000 0.000 0.233 647 G HA3 0.592 4.552 3.960 -0.000 0.000 0.233 647 G C 0.365 175.429 174.900 0.273 0.000 1.062 647 G CA 0.423 45.544 45.100 0.036 0.000 0.809 647 G HN 0.916 nan 8.290 nan 0.000 0.535 648 G N -0.712 108.307 108.800 0.365 0.000 2.466 648 G HA2 0.485 4.445 3.960 -0.000 0.000 0.291 648 G HA3 0.485 4.445 3.960 -0.000 0.000 0.291 648 G C -1.780 173.317 174.900 0.327 0.000 1.460 648 G CA -0.433 44.836 45.100 0.282 0.000 0.791 648 G HN 0.600 nan 8.290 nan 0.000 0.505 649 W N -0.106 121.208 121.300 0.024 0.000 3.137 649 W HA 0.830 5.490 4.660 -0.000 0.000 0.324 649 W C -1.535 174.960 176.519 -0.039 0.000 1.253 649 W CA -1.307 56.039 57.345 0.002 0.000 1.183 649 W CB 1.578 31.032 29.460 -0.010 0.000 1.424 649 W HN 0.829 nan 8.180 nan 0.000 0.566 650 R N 1.484 122.100 120.500 0.192 0.000 2.750 650 R HA 0.667 5.007 4.340 -0.000 0.000 0.281 650 R C -0.085 176.380 176.300 0.276 0.000 0.972 650 R CA -0.412 55.702 56.100 0.024 0.000 0.912 650 R CB 2.218 32.515 30.300 -0.004 0.000 1.187 650 R HN 0.687 nan 8.270 nan 0.000 0.464 651 A N 1.769 124.706 122.820 0.195 0.000 2.366 651 A HA 0.421 4.741 4.320 -0.000 0.000 0.250 651 A C 0.393 178.053 177.584 0.126 0.000 1.099 651 A CA 0.249 52.438 52.037 0.254 0.000 0.794 651 A CB -0.014 19.093 19.000 0.177 0.000 1.056 651 A HN 0.847 nan 8.150 nan 0.000 0.499 652 G N -0.498 108.356 108.800 0.089 0.000 2.616 652 G HA2 0.472 4.432 3.960 -0.000 0.000 0.268 652 G HA3 0.472 4.432 3.960 -0.000 0.000 0.268 652 G C -0.231 174.687 174.900 0.030 0.000 1.213 652 G CA -0.536 44.588 45.100 0.040 0.000 0.926 652 G HN 0.714 nan 8.290 nan 0.000 0.523 653 E N -0.030 120.180 120.200 0.016 0.000 2.366 653 E HA 0.272 4.622 4.350 -0.000 0.000 0.266 653 E C 1.205 177.810 176.600 0.009 0.000 1.051 653 E CA -0.023 56.384 56.400 0.011 0.000 0.884 653 E CB 0.705 30.409 29.700 0.007 0.000 1.006 653 E HN 0.600 nan 8.360 nan 0.000 0.417 658 S N 0.597 116.323 115.700 0.043 0.000 2.548 658 S HA 0.312 4.782 4.470 -0.000 0.000 0.215 658 S C 0.944 175.578 174.600 0.057 0.000 0.976 658 S CA 0.091 58.329 58.200 0.063 0.000 0.908 658 S CB 0.084 63.306 63.200 0.036 0.000 0.781 658 S HN 0.923 nan 8.310 nan 0.000 0.519 659 G N 1.009 109.821 108.800 0.020 0.000 2.547 659 G HA2 0.531 4.491 3.960 -0.000 0.000 0.291 659 G HA3 0.531 4.491 3.960 -0.000 0.000 0.291 659 G C -0.531 174.345 174.900 -0.040 0.000 1.211 659 G CA -0.678 44.390 45.100 -0.052 0.000 0.950 659 G HN 0.219 nan 8.290 nan 0.000 0.504 660 V N 0.378 120.171 119.914 -0.202 0.000 2.637 660 V HA 0.428 4.548 4.120 -0.000 0.000 0.296 660 V C 1.351 177.414 176.094 -0.051 0.000 1.046 660 V CA 1.099 63.295 62.300 -0.174 0.000 1.066 660 V CB 1.201 32.786 31.823 -0.398 0.000 0.968 660 V HN 0.973 nan 8.190 nan 0.000 0.483 661 G N 2.924 111.755 108.800 0.052 0.000 2.834 661 G HA2 0.333 4.293 3.960 -0.000 0.000 0.198 661 G HA3 0.333 4.293 3.960 -0.000 0.000 0.198 661 G C 0.311 175.207 174.900 -0.005 0.000 1.070 661 G CA 0.769 45.878 45.100 0.014 0.000 0.771 661 G HN 0.845 nan 8.290 nan 0.000 0.601 662 S N -0.926 114.804 115.700 0.050 0.000 2.607 662 S HA 0.776 5.245 4.470 -0.000 0.000 0.273 662 S C -1.475 173.189 174.600 0.106 0.000 1.148 662 S CA -0.776 57.446 58.200 0.036 0.000 0.833 662 S CB 1.913 65.146 63.200 0.054 0.000 1.130 662 S HN 0.137 nan 8.310 nan 0.000 0.470 663 L N 1.246 122.528 121.223 0.097 0.000 2.362 663 L HA 0.623 4.963 4.340 -0.000 0.000 0.271 663 L C -0.923 176.094 176.870 0.245 0.000 1.002 663 L CA -0.851 54.098 54.840 0.182 0.000 0.818 663 L CB 1.534 43.665 42.059 0.121 0.000 1.298 663 L HN 0.560 nan 8.230 nan 0.000 0.420 667 I N 1.277 121.958 120.570 0.185 0.000 2.339 667 I HA 0.368 4.538 4.170 -0.000 0.000 0.290 667 I C -2.252 173.923 176.117 0.096 0.000 0.994 667 I CA -3.011 58.368 61.300 0.132 0.000 1.191 667 I CB 1.245 39.330 38.000 0.141 0.000 1.343 667 I HN 0.092 nan 8.210 nan 0.000 0.458 668 P HA 0.243 nan 4.420 nan 0.000 0.266 668 P C 0.188 177.509 177.300 0.034 0.000 1.195 668 P CA 0.187 63.309 63.100 0.036 0.000 0.768 668 P CB 0.770 32.482 31.700 0.020 0.000 0.838 669 G N 2.310 111.128 108.800 0.030 0.000 2.827 669 G HA2 0.445 4.405 3.960 -0.000 0.000 0.296 669 G HA3 0.445 4.405 3.960 -0.000 0.000 0.296 669 G C -2.230 172.678 174.900 0.013 0.000 1.362 669 G CA -1.004 44.109 45.100 0.021 0.000 0.809 669 G HN 0.122 nan 8.290 nan 0.000 0.522 670 P HA -0.030 nan 4.420 nan 0.000 0.214 670 P C 1.738 179.040 177.300 0.003 0.000 1.169 670 P CA 2.008 65.111 63.100 0.004 0.000 0.908 670 P CB 0.110 31.812 31.700 0.003 0.000 0.791 671 G N -2.474 106.331 108.800 0.009 0.000 3.141 671 G HA2 0.461 4.421 3.960 -0.000 0.000 0.218 671 G HA3 0.461 4.421 3.960 -0.000 0.000 0.218 671 G C 0.549 175.449 174.900 0.001 0.000 1.170 671 G CA 0.445 45.548 45.100 0.005 0.000 0.769 671 G HN 0.667 nan 8.290 nan 0.000 0.546 672 G N -0.534 108.269 108.800 0.004 0.000 2.293 672 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.282 672 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.282 672 G C -0.806 174.105 174.900 0.017 0.000 1.299 672 G CA -1.046 44.046 45.100 -0.013 0.000 1.018 672 G HN 0.333 nan 8.290 nan 0.000 0.478 673 L N 1.143 122.358 121.223 -0.013 0.000 2.410 673 L HA 0.288 4.628 4.340 -0.000 0.000 0.273 673 L C 0.745 177.782 176.870 0.279 0.000 1.152 673 L CA -0.016 54.864 54.840 0.067 0.000 0.855 673 L CB 0.753 42.734 42.059 -0.131 0.000 1.129 673 L HN 0.521 nan 8.230 nan 0.000 0.463 674 Q N 3.147 123.101 119.800 0.257 0.000 2.314 674 Q HA 0.199 4.539 4.340 -0.000 0.000 0.257 674 Q C -0.491 175.753 176.000 0.407 0.000 0.975 674 Q CA -0.552 55.422 55.803 0.285 0.000 0.933 674 Q CB 0.993 29.829 28.738 0.162 0.000 1.195 674 Q HN 0.337 nan 8.270 nan 0.000 0.426 675 F N 2.152 122.253 119.950 0.251 0.000 2.602 675 F HA 0.057 4.584 4.527 -0.000 0.000 0.385 675 F C 0.487 176.360 175.800 0.122 0.000 1.063 675 F CA 0.002 58.068 58.000 0.109 0.000 1.233 675 F CB 0.547 39.410 39.000 -0.228 0.000 1.067 675 F HN 0.646 nan 8.300 nan 0.000 0.564 676 A N 4.403 127.054 122.820 -0.282 0.000 2.431 676 A HA 0.626 4.946 4.320 -0.000 0.000 0.239 676 A C 0.865 178.069 177.584 -0.633 0.000 1.230 676 A CA 0.445 52.294 52.037 -0.313 0.000 0.928 676 A CB -0.858 18.106 19.000 -0.060 0.000 1.006 676 A HN 1.722 nan 8.150 nan 0.000 0.520 677 G N -0.639 107.328 108.800 -1.389 0.000 2.408 677 G HA2 0.109 4.069 3.960 -0.000 0.000 0.682 677 G HA3 0.109 4.069 3.960 -0.000 0.000 0.682 677 G C -0.610 174.086 174.900 -0.340 0.000 1.303 677 G CA -0.431 44.117 45.100 -0.920 0.000 0.966 677 G HN 0.685 nan 8.290 nan 0.000 0.560 678 R N -0.451 120.030 120.500 -0.031 0.000 2.338 678 R HA 0.666 5.006 4.340 -0.000 0.000 0.317 678 R C -0.218 176.126 176.300 0.073 0.000 0.968 678 R CA -0.655 55.512 56.100 0.111 0.000 0.849 678 R CB 1.418 31.814 30.300 0.159 0.000 1.128 678 R HN 0.760 nan 8.270 nan 0.000 0.448 679 V N 2.911 122.888 119.914 0.105 0.000 2.435 679 V HA 0.593 4.713 4.120 -0.000 0.000 0.290 679 V C 0.801 176.938 176.094 0.071 0.000 1.030 679 V CA -0.397 61.968 62.300 0.108 0.000 0.881 679 V CB 1.519 33.465 31.823 0.205 0.000 0.983 679 V HN 1.031 nan 8.190 nan 0.000 0.445 680 G N 2.284 111.114 108.800 0.050 0.000 4.000 680 G HA2 0.338 4.298 3.960 -0.000 0.000 0.260 680 G HA3 0.338 4.298 3.960 -0.000 0.000 0.260 680 G C 0.293 175.195 174.900 0.004 0.000 1.047 680 G CA 0.543 45.648 45.100 0.008 0.000 0.860 680 G HN 0.810 nan 8.290 nan 0.000 0.464 681 T N -3.080 111.497 114.554 0.038 0.000 2.912 681 T HA 0.568 4.918 4.350 -0.000 0.000 0.288 681 T C 0.963 175.703 174.700 0.066 0.000 1.030 681 T CA 0.134 62.256 62.100 0.037 0.000 1.020 681 T CB 1.930 70.823 68.868 0.043 0.000 1.056 681 T HN 1.371 nan 8.240 nan 0.000 0.480 682 G N 1.118 109.946 108.800 0.047 0.000 2.132 682 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.234 682 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.234 682 G C -0.257 174.707 174.900 0.107 0.000 0.989 682 G CA -0.093 45.054 45.100 0.077 0.000 0.676 682 G HN 0.878 nan 8.290 nan 0.000 0.522 683 L N 2.287 123.509 121.223 -0.002 0.000 2.280 683 L HA 0.580 4.920 4.340 -0.000 0.000 0.287 683 L C 1.102 177.929 176.870 -0.071 0.000 1.023 683 L CA -0.324 54.447 54.840 -0.115 0.000 0.819 683 L CB 1.668 43.557 42.059 -0.284 0.000 1.212 683 L HN 0.376 nan 8.230 nan 0.000 0.420 684 S N 1.042 116.719 115.700 -0.038 0.000 2.645 684 S HA 0.242 4.712 4.470 -0.000 0.000 0.266 684 S C 0.877 175.446 174.600 -0.052 0.000 1.258 684 S CA -0.718 57.466 58.200 -0.026 0.000 0.990 684 S CB 1.154 64.356 63.200 0.003 0.000 0.967 684 S HN 0.666 nan 8.310 nan 0.000 0.556 685 E N 0.662 120.838 120.200 -0.040 0.000 2.058 685 E HA -0.189 4.161 4.350 -0.000 0.000 0.194 685 E C 2.306 178.876 176.600 -0.049 0.000 0.997 685 E CA 1.128 57.501 56.400 -0.046 0.000 0.801 685 E CB -0.197 29.484 29.700 -0.032 0.000 0.746 685 E HN 0.554 nan 8.360 nan 0.000 0.450 686 R N 0.876 121.357 120.500 -0.031 0.000 2.094 686 R HA -0.215 4.125 4.340 -0.000 0.000 0.239 686 R C 2.319 178.600 176.300 -0.032 0.000 1.137 686 R CA 1.899 57.984 56.100 -0.024 0.000 0.943 686 R CB -0.188 30.109 30.300 -0.005 0.000 0.850 686 R HN 0.225 nan 8.270 nan 0.000 0.433 687 E N 0.254 120.438 120.200 -0.027 0.000 2.058 687 E HA -0.203 4.147 4.350 -0.000 0.000 0.194 687 E C 2.090 178.615 176.600 -0.125 0.000 0.997 687 E CA 1.287 57.667 56.400 -0.033 0.000 0.801 687 E CB -0.110 29.590 29.700 -0.000 0.000 0.746 687 E HN 0.286 nan 8.360 nan 0.000 0.450 688 L N 0.330 121.453 121.223 -0.166 0.000 2.046 688 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 688 L C 2.529 179.293 176.870 -0.177 0.000 1.077 688 L CA 1.003 55.719 54.840 -0.207 0.000 0.747 688 L CB -0.420 41.531 42.059 -0.179 0.000 0.896 688 L HN 0.162 nan 8.230 nan 0.000 0.432 689 A N -0.186 122.560 122.820 -0.123 0.000 1.930 689 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 689 A C 2.163 179.685 177.584 -0.103 0.000 1.175 689 A CA 1.783 53.756 52.037 -0.106 0.000 0.627 689 A CB -0.726 18.232 19.000 -0.071 0.000 0.815 689 A HN 0.527 nan 8.150 nan 0.000 0.443 690 N N 0.003 118.652 118.700 -0.085 0.000 2.188 690 N HA -0.079 4.661 4.740 -0.000 0.000 0.184 690 N C 1.758 177.212 175.510 -0.092 0.000 1.018 690 N CA 1.094 54.105 53.050 -0.065 0.000 0.858 690 N CB -0.138 38.333 38.487 -0.025 0.000 0.989 690 N HN 0.491 nan 8.380 nan 0.000 0.426 691 L N 1.279 122.419 121.223 -0.140 0.000 2.083 691 L HA -0.147 4.193 4.340 -0.000 0.000 0.209 691 L C 2.717 179.422 176.870 -0.276 0.000 1.083 691 L CA 1.067 55.792 54.840 -0.193 0.000 0.752 691 L CB -0.355 41.537 42.059 -0.278 0.000 0.899 691 L HN 0.225 nan 8.230 nan 0.000 0.433 692 K N 0.274 120.492 120.400 -0.303 0.000 2.032 692 K HA -0.166 4.154 4.320 -0.000 0.000 0.209 692 K C 0.811 177.279 176.600 -0.220 0.000 1.048 692 K CA 1.066 57.140 56.287 -0.354 0.000 0.927 692 K CB 0.123 32.454 32.500 -0.281 0.000 0.712 692 K HN 0.099 nan 8.250 nan 0.000 0.441 696 A N 1.815 124.647 122.820 0.021 0.000 1.873 696 A HA -0.093 4.227 4.320 -0.000 0.000 0.218 696 A C -0.165 177.490 177.584 0.117 0.000 1.193 696 A CA 2.363 54.452 52.037 0.086 0.000 0.629 696 A CB -1.720 17.293 19.000 0.022 0.000 0.826 696 A HN 0.383 nan 8.150 nan 0.000 0.447 697 P HA -0.071 nan 4.420 nan 0.000 0.222 697 P C 0.871 178.236 177.300 0.109 0.000 1.147 697 P CA 0.832 63.978 63.100 0.077 0.000 0.790 697 P CB -0.154 31.574 31.700 0.048 0.000 0.780 698 L N -1.335 119.966 121.223 0.130 0.000 2.611 698 L HA 0.166 4.506 4.340 -0.000 0.000 0.229 698 L C 1.235 178.215 176.870 0.184 0.000 1.137 698 L CA -0.560 54.359 54.840 0.132 0.000 0.901 698 L CB -1.226 40.900 42.059 0.112 0.000 1.098 698 L HN 0.048 nan 8.230 nan 0.000 0.456 699 H N 0.578 119.726 119.070 0.129 0.000 3.034 699 H HA 0.091 4.647 4.556 -0.000 0.000 0.324 699 H C -0.101 175.291 175.328 0.106 0.000 1.015 699 H CA 0.760 56.895 56.048 0.146 0.000 1.429 699 H CB 0.655 30.501 29.762 0.140 0.000 1.429 699 H HN -0.041 nan 8.280 nan 0.000 0.585 700 T N 3.142 117.523 114.554 -0.287 0.000 2.896 700 T HA 0.150 4.500 4.350 -0.000 0.000 0.297 700 T C 0.168 174.712 174.700 -0.260 0.000 1.108 700 T CA -0.785 61.215 62.100 -0.167 0.000 1.004 700 T CB 1.368 70.218 68.868 -0.030 0.000 1.159 700 T HN 0.774 nan 8.240 nan 0.000 0.499 701 D N 1.098 121.449 120.400 -0.081 0.000 2.355 701 D HA 0.134 4.774 4.640 -0.000 0.000 0.206 701 D C 0.201 176.514 176.300 0.021 0.000 1.010 701 D CA 0.353 54.353 54.000 -0.000 0.000 0.875 701 D CB 0.446 41.272 40.800 0.043 0.000 0.966 701 D HN 0.454 nan 8.370 nan 0.000 0.512 702 E N 0.892 121.067 120.200 -0.042 0.000 2.180 702 E HA 0.128 4.478 4.350 -0.000 0.000 0.283 702 E C -0.414 176.020 176.600 -0.277 0.000 1.061 702 E CA -0.175 56.152 56.400 -0.122 0.000 0.861 702 E CB 0.771 30.420 29.700 -0.085 0.000 1.056 702 E HN -0.202 nan 8.360 nan 0.000 0.407 703 S N 5.157 120.524 115.700 -0.554 0.000 2.552 703 S HA 0.091 4.561 4.470 -0.000 0.000 0.289 703 S C -1.541 172.806 174.600 -0.422 0.000 1.304 703 S CA -0.994 56.667 58.200 -0.899 0.000 1.063 703 S CB 0.549 63.207 63.200 -0.904 0.000 0.848 703 S HN 0.470 nan 8.310 nan 0.000 0.499 704 P HA 0.199 nan 4.420 nan 0.000 0.255 704 P C -0.287 176.783 177.300 -0.383 0.000 1.248 704 P CA -0.023 62.858 63.100 -0.366 0.000 0.807 704 P CB -0.035 31.416 31.700 -0.415 0.000 1.150 705 F N 2.288 122.174 119.950 -0.108 0.000 2.410 705 F HA 0.074 4.601 4.527 -0.000 0.000 0.334 705 F C 1.996 177.765 175.800 -0.051 0.000 1.134 705 F CA -0.307 57.669 58.000 -0.040 0.000 1.227 705 F CB 0.317 39.300 39.000 -0.029 0.000 1.194 705 F HN -0.157 nan 8.300 nan 0.000 0.571 706 D N -0.078 120.427 120.400 0.176 0.000 2.264 706 D HA -0.075 4.565 4.640 -0.000 0.000 0.208 706 D C 0.214 176.549 176.300 0.058 0.000 0.966 706 D CA 1.094 55.144 54.000 0.082 0.000 0.864 706 D CB -0.470 40.379 40.800 0.082 0.000 0.933 706 D HN 0.208 nan 8.370 nan 0.000 0.499 707 V N -4.600 115.359 119.914 0.075 0.000 3.147 707 V HA 0.591 4.711 4.120 -0.000 0.000 0.306 707 V C -3.051 173.049 176.094 0.009 0.000 1.209 707 V CA -2.256 60.062 62.300 0.030 0.000 1.023 707 V CB 1.408 33.246 31.823 0.026 0.000 1.059 707 V HN -0.303 nan 8.190 nan 0.000 0.435 708 P HA 0.331 nan 4.420 nan 0.000 0.267 708 P C -0.379 176.864 177.300 -0.094 0.000 1.200 708 P CA -0.040 63.031 63.100 -0.047 0.000 0.772 708 P CB 0.274 31.952 31.700 -0.036 0.000 0.855 709 L N 4.339 125.466 121.223 -0.160 0.000 2.439 709 L HA 0.266 4.606 4.340 -0.000 0.000 0.269 709 L C -1.791 174.978 176.870 -0.167 0.000 1.179 709 L CA -1.859 52.805 54.840 -0.293 0.000 0.828 709 L CB -0.330 41.443 42.059 -0.476 0.000 1.106 709 L HN 0.278 nan 8.230 nan 0.000 0.467 710 P HA 0.065 nan 4.420 nan 0.000 0.272 710 P C 0.177 177.425 177.300 -0.086 0.000 1.223 710 P CA -0.271 62.779 63.100 -0.082 0.000 0.784 710 P CB 0.802 32.473 31.700 -0.047 0.000 0.923 711 A N 3.492 126.279 122.820 -0.056 0.000 1.927 711 A HA -0.286 4.034 4.320 -0.000 0.000 0.220 711 A C 2.125 179.675 177.584 -0.057 0.000 1.185 711 A CA 2.186 54.192 52.037 -0.052 0.000 0.639 711 A CB -1.072 17.907 19.000 -0.035 0.000 0.820 711 A HN 0.723 nan 8.150 nan 0.000 0.451 712 R N -0.368 120.106 120.500 -0.044 0.000 2.096 712 R HA -0.189 4.151 4.340 -0.000 0.000 0.240 712 R C 1.060 177.332 176.300 -0.048 0.000 1.139 712 R CA 1.936 58.017 56.100 -0.032 0.000 0.952 712 R CB -0.940 29.355 30.300 -0.008 0.000 0.854 712 R HN 0.440 nan 8.270 nan 0.000 0.436 713 D N 0.750 121.103 120.400 -0.080 0.000 2.277 713 D HA -0.000 4.640 4.640 -0.000 0.000 0.208 713 D C 1.629 177.809 176.300 -0.199 0.000 0.962 713 D CA 1.273 55.191 54.000 -0.136 0.000 0.865 713 D CB 0.192 40.832 40.800 -0.265 0.000 0.939 713 D HN 0.520 nan 8.370 nan 0.000 0.510 714 A N 0.576 123.297 122.820 -0.166 0.000 2.195 714 A HA -0.019 4.301 4.320 -0.000 0.000 0.210 714 A C 1.252 178.743 177.584 -0.154 0.000 1.165 714 A CA -0.082 51.863 52.037 -0.154 0.000 0.806 714 A CB -0.044 18.906 19.000 -0.084 0.000 0.847 714 A HN -0.060 nan 8.150 nan 0.000 0.482 715 K N 0.376 120.705 120.400 -0.118 0.000 2.447 715 K HA 0.253 4.573 4.320 -0.000 0.000 0.281 715 K C 1.042 177.560 176.600 -0.138 0.000 1.031 715 K CA 0.804 57.027 56.287 -0.106 0.000 1.019 715 K CB -0.113 32.344 32.500 -0.071 0.000 0.918 715 K HN 0.629 nan 8.250 nan 0.000 0.476 716 G N 4.004 112.712 108.800 -0.153 0.000 2.203 716 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.263 716 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.263 716 G C 0.116 174.833 174.900 -0.304 0.000 1.012 716 G CA 0.019 45.006 45.100 -0.187 0.000 0.749 716 G HN 0.484 nan 8.290 nan 0.000 0.512 717 I N 0.897 121.241 120.570 -0.377 0.000 2.440 717 I HA 0.377 4.547 4.170 -0.000 0.000 0.294 717 I C 0.629 176.303 176.117 -0.740 0.000 0.995 717 I CA -0.051 60.916 61.300 -0.555 0.000 1.306 717 I CB 1.284 38.940 38.000 -0.572 0.000 1.407 717 I HN -0.024 nan 8.210 nan 0.000 0.501 718 T N 6.327 120.329 114.554 -0.921 0.000 2.770 718 T HA 0.446 4.796 4.350 -0.000 0.000 0.283 718 T C -0.301 174.008 174.700 -0.652 0.000 0.988 718 T CA -0.317 61.278 62.100 -0.842 0.000 0.957 718 T CB 0.404 68.619 68.868 -1.089 0.000 0.930 718 T HN 0.115 nan 8.240 nan 0.000 0.443 719 Y N 2.003 122.156 120.300 -0.244 0.000 2.314 719 Y HA 0.489 5.039 4.550 -0.000 0.000 0.334 719 Y C 0.784 176.635 175.900 -0.082 0.000 1.266 719 Y CA -0.747 57.284 58.100 -0.115 0.000 1.391 719 Y CB 0.516 38.917 38.460 -0.098 0.000 1.306 719 Y HN 0.452 nan 8.280 nan 0.000 0.558 720 V N -1.551 118.468 119.914 0.176 0.000 3.102 720 V HA 0.545 4.665 4.120 -0.000 0.000 0.312 720 V C -0.808 175.326 176.094 0.067 0.000 1.135 720 V CA -2.031 60.352 62.300 0.138 0.000 1.022 720 V CB 1.838 33.790 31.823 0.215 0.000 1.056 720 V HN 0.623 nan 8.190 nan 0.000 0.436 721 K N 2.797 123.230 120.400 0.055 0.000 2.472 721 K HA 0.211 4.531 4.320 -0.000 0.000 0.280 721 K C -2.260 174.347 176.600 0.012 0.000 1.028 721 K CA -0.892 55.407 56.287 0.020 0.000 1.045 721 K CB 0.394 32.912 32.500 0.030 0.000 0.902 721 K HN 0.603 nan 8.250 nan 0.000 0.478 722 P HA 0.048 nan 4.420 nan 0.000 0.237 722 P C -0.556 176.742 177.300 -0.003 0.000 1.788 722 P CA 0.151 63.230 63.100 -0.035 0.000 1.061 722 P CB 0.395 32.040 31.700 -0.091 0.000 1.967 723 A N 2.707 125.540 122.820 0.021 0.000 2.211 723 A HA 0.240 4.560 4.320 -0.000 0.000 0.208 723 A C 0.821 178.427 177.584 0.036 0.000 1.250 723 A CA 0.127 52.179 52.037 0.025 0.000 0.935 723 A CB 0.159 19.176 19.000 0.029 0.000 0.982 723 A HN 0.322 nan 8.150 nan 0.000 0.490 724 L N 1.755 123.011 121.223 0.054 0.000 2.275 724 L HA 0.432 4.772 4.340 -0.000 0.000 0.288 724 L C -0.800 176.109 176.870 0.065 0.000 1.046 724 L CA -0.681 54.199 54.840 0.067 0.000 0.805 724 L CB 1.716 43.835 42.059 0.100 0.000 1.193 724 L HN -0.030 nan 8.230 nan 0.000 0.426 725 V N 2.607 122.546 119.914 0.041 0.000 2.539 725 V HA 0.754 4.874 4.120 -0.000 0.000 0.292 725 V C 0.320 176.407 176.094 -0.013 0.000 1.045 725 V CA -0.417 61.894 62.300 0.018 0.000 0.945 725 V CB 1.484 33.307 31.823 0.000 0.000 0.993 725 V HN 0.912 nan 8.190 nan 0.000 0.464 726 A N 3.279 126.064 122.820 -0.059 0.000 2.515 726 A HA 0.790 5.110 4.320 -0.000 0.000 0.296 726 A C -0.812 176.617 177.584 -0.258 0.000 1.094 726 A CA -0.686 51.209 52.037 -0.238 0.000 0.718 726 A CB 1.698 20.496 19.000 -0.337 0.000 1.307 726 A HN 0.798 nan 8.150 nan 0.000 0.408 727 E N 0.408 120.372 120.200 -0.393 0.000 2.179 727 E HA 0.629 4.979 4.350 -0.000 0.000 0.275 727 E C -1.634 174.766 176.600 -0.334 0.000 0.945 727 E CA -0.454 55.776 56.400 -0.282 0.000 0.792 727 E CB 1.668 31.234 29.700 -0.224 0.000 1.125 727 E HN 0.423 nan 8.360 nan 0.000 0.397 728 V N 4.246 124.061 119.914 -0.165 0.000 2.876 728 V HA 0.432 4.552 4.120 -0.000 0.000 0.312 728 V C -0.588 175.509 176.094 0.005 0.000 1.085 728 V CA -0.788 61.456 62.300 -0.093 0.000 0.945 728 V CB 2.136 33.934 31.823 -0.043 0.000 1.017 728 V HN 0.663 nan 8.190 nan 0.000 0.428 729 R N 3.579 124.078 120.500 -0.002 0.000 2.460 729 R HA 0.635 4.975 4.340 -0.000 0.000 0.303 729 R C -1.583 174.813 176.300 0.159 0.000 0.968 729 R CA -0.168 55.937 56.100 0.009 0.000 0.889 729 R CB 1.680 31.851 30.300 -0.215 0.000 1.123 729 R HN 0.809 nan 8.270 nan 0.000 0.455 730 Y N -0.354 119.989 120.300 0.071 0.000 2.744 730 Y HA 0.391 4.941 4.550 -0.000 0.000 0.330 730 Y C 0.029 176.058 175.900 0.214 0.000 1.263 730 Y CA -0.464 57.700 58.100 0.106 0.000 1.065 730 Y CB 0.868 39.265 38.460 -0.105 0.000 1.306 730 Y HN 0.537 nan 8.280 nan 0.000 0.459 731 S N -0.369 115.360 115.700 0.050 0.000 2.650 731 S HA 0.386 4.856 4.470 -0.000 0.000 0.182 731 S C -0.301 174.247 174.600 -0.088 0.000 0.832 731 S CA 0.218 58.354 58.200 -0.106 0.000 0.860 731 S CB -0.199 62.952 63.200 -0.081 0.000 0.818 731 S HN 0.686 nan 8.310 nan 0.000 0.600 732 E N -0.156 120.157 120.200 0.187 0.000 2.336 732 E HA 0.369 4.719 4.350 -0.000 0.000 0.267 732 E C -1.482 175.296 176.600 0.297 0.000 0.906 732 E CA -0.730 55.853 56.400 0.305 0.000 0.781 732 E CB 0.746 30.572 29.700 0.210 0.000 1.261 732 E HN 0.513 nan 8.360 nan 0.000 0.436 733 W N 1.397 122.854 121.300 0.262 0.000 2.112 733 W HA 0.113 4.773 4.660 -0.000 0.000 0.349 733 W C 1.362 177.913 176.519 0.053 0.000 1.289 733 W CA 0.106 57.494 57.345 0.071 0.000 1.256 733 W CB 0.374 29.861 29.460 0.045 0.000 1.148 733 W HN 0.337 nan 8.180 nan 0.000 0.590 734 T N -1.042 113.686 114.554 0.290 0.000 2.912 734 T HA 0.321 4.671 4.350 -0.000 0.000 0.280 734 T C -1.821 172.973 174.700 0.157 0.000 0.989 734 T CA -1.739 60.464 62.100 0.173 0.000 0.995 734 T CB 1.443 70.375 68.868 0.106 0.000 1.077 734 T HN 0.122 nan 8.240 nan 0.000 0.531 735 P HA -0.069 nan 4.420 nan 0.000 0.219 735 P C 1.131 178.463 177.300 0.053 0.000 1.146 735 P CA 0.853 63.990 63.100 0.061 0.000 0.808 735 P CB 0.031 31.757 31.700 0.044 0.000 0.779 736 E N -1.180 119.062 120.200 0.070 0.000 2.502 736 E HA 0.120 4.470 4.350 -0.000 0.000 0.194 736 E C 1.302 177.950 176.600 0.080 0.000 1.062 736 E CA 0.784 57.223 56.400 0.065 0.000 0.867 736 E CB -0.831 28.910 29.700 0.067 0.000 0.888 736 E HN 0.256 nan 8.360 nan 0.000 0.510 737 G N 1.842 110.711 108.800 0.115 0.000 2.132 737 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.234 737 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.234 737 G C 0.131 175.216 174.900 0.308 0.000 0.989 737 G CA -0.122 45.082 45.100 0.173 0.000 0.676 737 G HN 0.128 nan 8.290 nan 0.000 0.522 738 R N -0.905 119.712 120.500 0.196 0.000 2.596 738 R HA 0.664 5.004 4.340 -0.000 0.000 0.267 738 R C -0.382 175.877 176.300 -0.069 0.000 1.026 738 R CA -0.936 55.166 56.100 0.005 0.000 1.087 738 R CB 0.830 31.081 30.300 -0.081 0.000 1.132 738 R HN 0.098 nan 8.270 nan 0.000 0.531 739 L N 2.970 124.004 121.223 -0.315 0.000 2.277 739 L HA 0.330 4.670 4.340 -0.000 0.000 0.284 739 L C 0.529 177.291 176.870 -0.181 0.000 1.028 739 L CA -0.178 54.358 54.840 -0.507 0.000 0.835 739 L CB 0.604 42.232 42.059 -0.719 0.000 1.215 739 L HN 0.323 nan 8.230 nan 0.000 0.425 740 R N 3.745 124.223 120.500 -0.036 0.000 2.643 740 R HA 0.127 4.467 4.340 -0.000 0.000 0.270 740 R C 0.088 176.455 176.300 0.112 0.000 1.061 740 R CA -0.380 55.748 56.100 0.047 0.000 1.107 740 R CB 0.273 30.614 30.300 0.069 0.000 0.999 740 R HN 0.439 nan 8.270 nan 0.000 0.460 741 Q N -0.278 119.581 119.800 0.099 0.000 2.468 741 Q HA -0.153 4.187 4.340 -0.000 0.000 0.289 741 Q C -0.552 175.572 176.000 0.207 0.000 1.299 741 Q CA 1.212 57.109 55.803 0.157 0.000 0.838 741 Q CB -1.474 27.369 28.738 0.175 0.000 1.195 741 Q HN 0.865 nan 8.270 nan 0.000 0.456 742 S N -0.623 115.156 115.700 0.131 0.000 2.580 742 S HA 0.658 5.128 4.470 -0.000 0.000 0.274 742 S C 0.420 175.083 174.600 0.105 0.000 1.329 742 S CA 0.136 58.409 58.200 0.122 0.000 1.036 742 S CB 2.180 65.411 63.200 0.051 0.000 0.919 742 S HN 0.506 nan 8.310 nan 0.000 0.515 743 S N 2.156 117.901 115.700 0.076 0.000 2.588 743 S HA 0.503 4.973 4.470 -0.000 0.000 0.275 743 S C -1.089 173.581 174.600 0.117 0.000 1.130 743 S CA -1.021 57.227 58.200 0.079 0.000 0.855 743 S CB 0.891 64.081 63.200 -0.017 0.000 1.116 743 S HN 0.933 nan 8.310 nan 0.000 0.472 744 W N 2.465 123.733 121.300 -0.054 0.000 2.304 744 W HA 0.346 5.006 4.660 -0.000 0.000 0.313 744 W C -0.053 176.430 176.519 -0.061 0.000 1.323 744 W CA -0.494 56.825 57.345 -0.043 0.000 1.223 744 W CB 0.784 30.226 29.460 -0.030 0.000 1.237 744 W HN 0.758 nan 8.180 nan 0.000 0.535 745 R N 3.982 124.208 120.500 -0.457 0.000 2.543 745 R HA 0.260 4.600 4.340 -0.000 0.000 0.323 745 R C 0.406 176.350 176.300 -0.593 0.000 1.002 745 R CA 0.310 56.176 56.100 -0.390 0.000 1.106 745 R CB 0.451 30.590 30.300 -0.268 0.000 1.280 745 R HN 0.700 nan 8.270 nan 0.000 0.549 746 G N 1.269 109.289 108.800 -1.301 0.000 2.629 746 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.686 746 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.686 746 G C -0.977 173.478 174.900 -0.743 0.000 1.232 746 G CA -1.100 43.462 45.100 -0.897 0.000 0.803 746 G HN 0.006 nan 8.290 nan 0.000 0.638 747 L N 0.765 121.846 121.223 -0.237 0.000 2.506 747 L HA 0.400 4.740 4.340 -0.000 0.000 0.281 747 L C 1.158 177.969 176.870 -0.098 0.000 1.228 747 L CA 0.368 55.165 54.840 -0.071 0.000 0.850 747 L CB 0.421 42.556 42.059 0.125 0.000 1.110 747 L HN 0.598 nan 8.230 nan 0.000 0.496 748 R N 5.137 125.592 120.500 -0.076 0.000 2.587 748 R HA 0.257 4.597 4.340 -0.000 0.000 0.283 748 R C -1.776 174.512 176.300 -0.021 0.000 1.472 748 R CA -1.569 54.497 56.100 -0.056 0.000 1.578 748 R CB 0.660 30.918 30.300 -0.071 0.000 1.130 748 R HN 0.438 nan 8.270 nan 0.000 0.602 749 P HA -0.144 nan 4.420 nan 0.000 0.221 749 P C 0.667 177.968 177.300 0.001 0.000 1.145 749 P CA 0.920 64.023 63.100 0.005 0.000 0.795 749 P CB 0.516 32.221 31.700 0.009 0.000 0.775 750 D N -0.267 120.130 120.400 -0.006 0.000 2.310 750 D HA -0.044 4.596 4.640 -0.000 0.000 0.212 750 D C 0.510 176.807 176.300 -0.005 0.000 0.965 750 D CA 0.812 54.809 54.000 -0.005 0.000 0.879 750 D CB -0.075 40.720 40.800 -0.009 0.000 0.921 750 D HN 0.192 nan 8.370 nan 0.000 0.510 751 K N 0.472 120.868 120.400 -0.006 0.000 2.138 751 K HA 0.342 4.662 4.320 -0.000 0.000 0.263 751 K C -0.209 176.391 176.600 0.001 0.000 0.965 751 K CA -0.665 55.619 56.287 -0.005 0.000 0.868 751 K CB 2.032 34.526 32.500 -0.011 0.000 1.083 751 K HN -0.131 nan 8.250 nan 0.000 0.443 752 K N 2.490 122.891 120.400 0.003 0.000 2.156 752 K HA 0.174 4.494 4.320 -0.000 0.000 0.271 752 K C -2.003 174.601 176.600 0.007 0.000 0.995 752 K CA -1.986 54.304 56.287 0.005 0.000 0.890 752 K CB 1.282 33.784 32.500 0.004 0.000 1.073 752 K HN 0.195 nan 8.250 nan 0.000 0.454 753 P HA -0.211 nan 4.420 nan 0.000 0.218 753 P C 1.117 178.423 177.300 0.010 0.000 1.148 753 P CA 1.247 64.353 63.100 0.011 0.000 0.822 753 P CB 0.193 31.898 31.700 0.009 0.000 0.784 754 S N -0.046 115.657 115.700 0.006 0.000 2.447 754 S HA -0.147 4.323 4.470 -0.000 0.000 0.233 754 S C 1.290 175.893 174.600 0.006 0.000 1.006 754 S CA 0.746 58.949 58.200 0.004 0.000 0.957 754 S CB -1.002 62.199 63.200 0.002 0.000 0.773 754 S HN 0.385 nan 8.310 nan 0.000 0.507 755 E N 1.165 121.368 120.200 0.006 0.000 2.423 755 E HA 0.296 4.646 4.350 -0.000 0.000 0.198 755 E C -0.764 175.842 176.600 0.011 0.000 1.038 755 E CA -0.373 56.031 56.400 0.006 0.000 1.011 755 E CB 0.236 29.938 29.700 0.003 0.000 1.118 755 E HN 0.271 nan 8.360 nan 0.000 0.451 756 V N 2.166 122.090 119.914 0.017 0.000 2.406 756 V HA 0.237 4.357 4.120 -0.000 0.000 0.272 756 V C 0.271 176.385 176.094 0.033 0.000 1.043 756 V CA -0.671 61.646 62.300 0.028 0.000 0.915 756 V CB 0.964 32.808 31.823 0.034 0.000 0.988 756 V HN 0.297 nan 8.190 nan 0.000 0.466 757 V N 2.563 122.500 119.914 0.039 0.000 3.007 757 V HA 0.651 4.771 4.120 -0.000 0.000 0.311 757 V C -0.216 175.916 176.094 0.062 0.000 1.120 757 V CA -1.430 60.890 62.300 0.033 0.000 0.980 757 V CB 1.824 33.653 31.823 0.009 0.000 1.033 757 V HN 0.833 nan 8.190 nan 0.000 0.429 758 R N 1.868 122.392 120.500 0.041 0.000 2.484 758 R HA 0.253 4.593 4.340 -0.000 0.000 0.293 758 R C 0.030 176.357 176.300 0.045 0.000 1.023 758 R CA 0.346 56.478 56.100 0.053 0.000 1.037 758 R CB 0.302 30.480 30.300 -0.204 0.000 0.951 758 R HN 0.917 nan 8.270 nan 0.000 0.418 759 E N 0.000 120.294 120.200 0.156 0.000 2.725 759 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 759 E CA 0.000 56.456 56.400 0.094 0.000 0.976 759 E CB 0.000 29.774 29.700 0.123 0.000 0.812 759 E HN 0.000 nan 8.360 nan 0.000 0.440