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 1l1o_1_F DATA FIRST_RESID 439 DATA SEQUENCE NTNWKTLYEV KSENLGQGDK PDYFSSVATV VYLRKENCMY QACPTQDCNK DATA SEQUENCE KVIDQQNGLY RCEKCDTEFP NFKYRMILSV NIADFQENQW VTCFQESAEA DATA SEQUENCE ILGQNAAYLG ELKDKNEQAF EEVFQNANFR SFIFRVRVKV EXXXXXXXIK DATA SEQUENCE ATVMDVKPVD YREYGRRLVM SIRRSALM 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 439 N HA 0.000 nan 4.740 nan 0.000 0.220 439 N C 0.000 175.531 175.510 0.036 0.000 1.280 439 N CA 0.000 53.082 53.050 0.053 0.000 0.885 439 N CB 0.000 38.532 38.487 0.075 0.000 1.341 440 T N 0.986 115.565 114.554 0.041 0.000 2.903 440 T HA 0.118 4.466 4.350 -0.002 0.000 0.314 440 T C 0.205 174.863 174.700 -0.071 0.000 1.078 440 T CA 0.181 62.226 62.100 -0.092 0.000 1.114 440 T CB 0.018 68.745 68.868 -0.234 0.000 0.987 440 T HN 0.360 nan 8.240 nan 0.000 0.548 441 N N 1.596 120.212 118.700 -0.139 0.000 2.920 441 N HA 0.079 4.818 4.740 -0.002 0.000 0.310 441 N C -0.675 174.858 175.510 0.039 0.000 1.384 441 N CA -0.620 52.432 53.050 0.004 0.000 1.083 441 N CB 0.213 38.742 38.487 0.070 0.000 1.389 441 N HN 0.540 nan 8.380 nan 0.000 0.521 442 W N 1.973 123.352 121.300 0.131 0.000 2.435 442 W HA -0.031 4.628 4.660 -0.002 0.000 0.337 442 W C 0.356 176.944 176.519 0.115 0.000 1.300 442 W CA -0.004 57.422 57.345 0.135 0.000 1.298 442 W CB 0.316 29.843 29.460 0.112 0.000 1.217 442 W HN -0.033 nan 8.180 nan 0.000 0.565 443 K N 1.820 122.404 120.400 0.308 0.000 2.502 443 K HA 0.343 4.662 4.320 -0.002 0.000 0.257 443 K C -0.022 176.606 176.600 0.046 0.000 0.938 443 K CA -0.994 55.361 56.287 0.112 0.000 0.819 443 K CB 2.036 34.496 32.500 -0.066 0.000 1.333 443 K HN 0.379 nan 8.250 nan 0.000 0.434 444 T N -1.247 113.330 114.554 0.039 0.000 2.816 444 T HA 0.269 4.618 4.350 -0.002 0.000 0.282 444 T C 1.513 176.140 174.700 -0.122 0.000 0.993 444 T CA -0.633 61.474 62.100 0.011 0.000 0.994 444 T CB 0.465 69.355 68.868 0.036 0.000 1.025 444 T HN 0.484 nan 8.240 nan 0.000 0.529 445 L N -0.026 121.120 121.223 -0.130 0.000 2.056 445 L HA 0.032 4.371 4.340 -0.002 0.000 0.207 445 L C 2.495 179.301 176.870 -0.106 0.000 1.078 445 L CA 1.342 56.082 54.840 -0.167 0.000 0.749 445 L CB -0.782 41.220 42.059 -0.095 0.000 0.901 445 L HN 0.798 nan 8.230 nan 0.000 0.433 446 Y N 1.103 121.289 120.300 -0.190 0.000 2.465 446 Y HA -0.240 4.309 4.550 -0.002 0.000 0.289 446 Y C 2.270 178.102 175.900 -0.113 0.000 1.150 446 Y CA 1.443 59.461 58.100 -0.138 0.000 1.293 446 Y CB -0.025 38.355 38.460 -0.134 0.000 0.977 446 Y HN 0.264 nan 8.280 nan 0.000 0.556 447 E N -1.001 119.230 120.200 0.051 0.000 2.086 447 E HA -0.119 4.230 4.350 -0.002 0.000 0.190 447 E C 2.208 178.723 176.600 -0.142 0.000 0.975 447 E CA 1.153 57.551 56.400 -0.002 0.000 0.813 447 E CB -0.146 29.566 29.700 0.019 0.000 0.768 447 E HN 0.300 nan 8.360 nan 0.000 0.457 448 V N 2.087 121.842 119.914 -0.265 0.000 2.287 448 V HA -0.298 3.821 4.120 -0.002 0.000 0.248 448 V C 2.148 178.120 176.094 -0.204 0.000 1.053 448 V CA 1.866 63.958 62.300 -0.348 0.000 1.027 448 V CB -0.463 30.950 31.823 -0.684 0.000 0.646 448 V HN 0.173 nan 8.190 nan 0.000 0.447 449 K N -0.076 120.199 120.400 -0.208 0.000 1.973 449 K HA -0.145 4.174 4.320 -0.002 0.000 0.210 449 K C 2.541 179.010 176.600 -0.218 0.000 1.045 449 K CA 1.593 57.767 56.287 -0.188 0.000 0.937 449 K CB -0.587 31.788 32.500 -0.209 0.000 0.721 449 K HN 0.338 nan 8.250 nan 0.000 0.438 450 S N 1.519 117.014 115.700 -0.342 0.000 2.414 450 S HA -0.258 4.211 4.470 -0.002 0.000 0.238 450 S C 1.616 176.128 174.600 -0.146 0.000 1.055 450 S CA 1.973 59.988 58.200 -0.309 0.000 1.174 450 S CB -0.417 62.576 63.200 -0.344 0.000 1.087 450 S HN 0.306 nan 8.310 nan 0.000 0.428 451 E N 1.163 121.304 120.200 -0.098 0.000 2.501 451 E HA -0.071 4.277 4.350 -0.002 0.000 0.203 451 E C 0.160 176.736 176.600 -0.040 0.000 1.072 451 E CA 0.398 56.769 56.400 -0.047 0.000 0.885 451 E CB -0.391 29.294 29.700 -0.025 0.000 0.813 451 E HN 0.500 nan 8.360 nan 0.000 0.556 452 N N 0.405 119.069 118.700 -0.062 0.000 2.735 452 N HA -0.192 4.547 4.740 -0.002 0.000 0.248 452 N C -0.610 174.891 175.510 -0.014 0.000 1.083 452 N CA 0.719 53.745 53.050 -0.042 0.000 0.703 452 N CB -1.570 36.897 38.487 -0.033 0.000 1.005 452 N HN 0.269 nan 8.380 nan 0.000 0.550 453 L N -0.379 120.841 121.223 -0.004 0.000 2.525 453 L HA 0.240 4.579 4.340 -0.002 0.000 0.278 453 L C 1.739 178.628 176.870 0.032 0.000 1.218 453 L CA 0.999 55.859 54.840 0.034 0.000 0.878 453 L CB 0.185 42.291 42.059 0.079 0.000 1.127 453 L HN 0.416 nan 8.230 nan 0.000 0.492 454 G N 1.329 110.147 108.800 0.030 0.000 2.380 454 G HA2 -0.195 3.764 3.960 -0.002 0.000 0.197 454 G HA3 -0.195 3.764 3.960 -0.002 0.000 0.197 454 G C 0.783 175.689 174.900 0.010 0.000 1.001 454 G CA 0.090 45.201 45.100 0.017 0.000 0.668 454 G HN 0.606 nan 8.290 nan 0.000 0.483 455 Q N 0.590 120.395 119.800 0.009 0.000 2.062 455 Q HA 0.237 4.576 4.340 -0.002 0.000 0.196 455 Q C 1.933 177.940 176.000 0.011 0.000 0.967 455 Q CA 0.481 56.288 55.803 0.006 0.000 0.832 455 Q CB -0.176 28.563 28.738 0.002 0.000 0.899 455 Q HN 0.619 nan 8.270 nan 0.000 0.442 456 G N 1.085 109.894 108.800 0.017 0.000 2.765 456 G HA2 -0.242 3.717 3.960 -0.002 0.000 0.230 456 G HA3 -0.242 3.717 3.960 -0.002 0.000 0.230 456 G C -0.151 174.760 174.900 0.020 0.000 1.238 456 G CA 0.334 45.447 45.100 0.020 0.000 0.854 456 G HN 0.266 nan 8.290 nan 0.000 0.579 457 D N -0.435 119.976 120.400 0.019 0.000 2.178 457 D HA -0.016 4.623 4.640 -0.002 0.000 0.202 457 D C 1.235 177.549 176.300 0.024 0.000 0.974 457 D CA 1.078 55.089 54.000 0.017 0.000 0.841 457 D CB 0.126 40.935 40.800 0.015 0.000 0.953 457 D HN 0.359 nan 8.370 nan 0.000 0.478 458 K N 0.298 120.719 120.400 0.034 0.000 2.185 458 K HA 0.349 4.668 4.320 -0.002 0.000 0.240 458 K C -2.284 174.355 176.600 0.064 0.000 0.983 458 K CA -1.941 54.375 56.287 0.048 0.000 0.873 458 K CB 1.578 34.109 32.500 0.052 0.000 1.118 458 K HN -0.041 nan 8.250 nan 0.000 0.441 459 P HA 0.098 nan 4.420 nan 0.000 0.280 459 P C -1.032 176.357 177.300 0.148 0.000 1.278 459 P CA 0.015 63.164 63.100 0.082 0.000 0.787 459 P CB 0.431 32.174 31.700 0.072 0.000 1.163 460 D N -2.668 117.778 120.400 0.076 0.000 2.596 460 D HA 0.524 5.163 4.640 -0.002 0.000 0.234 460 D C -1.237 175.071 176.300 0.013 0.000 1.181 460 D CA -0.031 54.078 54.000 0.181 0.000 0.856 460 D CB 0.903 41.781 40.800 0.130 0.000 1.498 460 D HN 0.209 nan 8.370 nan 0.000 0.446 461 Y N 0.547 120.854 120.300 0.013 0.000 2.457 461 Y HA 0.589 5.137 4.550 -0.002 0.000 0.343 461 Y C -0.666 175.237 175.900 0.006 0.000 0.994 461 Y CA -1.242 56.812 58.100 -0.077 0.000 1.031 461 Y CB 1.136 39.539 38.460 -0.094 0.000 1.246 461 Y HN 0.375 nan 8.280 nan 0.000 0.449 462 F N -1.384 118.584 119.950 0.030 0.000 2.706 462 F HA 0.950 5.476 4.527 -0.002 0.000 0.328 462 F C -0.838 174.913 175.800 -0.082 0.000 1.123 462 F CA -1.421 56.566 58.000 -0.021 0.000 0.978 462 F CB 1.573 40.572 39.000 -0.001 0.000 1.404 462 F HN 0.228 nan 8.300 nan 0.000 0.497 463 S N -0.221 115.609 115.700 0.218 0.000 2.564 463 S HA 0.857 5.326 4.470 -0.002 0.000 0.274 463 S C -1.398 173.351 174.600 0.249 0.000 1.124 463 S CA -0.652 57.522 58.200 -0.044 0.000 0.869 463 S CB 1.936 64.734 63.200 -0.669 0.000 1.105 463 S HN 0.843 nan 8.310 nan 0.000 0.472 464 S N 0.303 116.178 115.700 0.292 0.000 2.643 464 S HA 0.602 5.071 4.470 -0.002 0.000 0.270 464 S C -1.607 173.163 174.600 0.284 0.000 1.166 464 S CA -0.689 57.759 58.200 0.413 0.000 0.815 464 S CB 1.396 64.829 63.200 0.390 0.000 1.139 464 S HN 0.478 nan 8.310 nan 0.000 0.472 465 V N 1.222 121.225 119.914 0.148 0.000 2.378 465 V HA 0.878 4.997 4.120 -0.002 0.000 0.288 465 V C -0.082 175.982 176.094 -0.050 0.000 1.016 465 V CA -0.051 62.177 62.300 -0.121 0.000 0.840 465 V CB 0.657 32.162 31.823 -0.530 0.000 0.994 465 V HN 1.106 nan 8.190 nan 0.000 0.431 466 A N 3.771 126.550 122.820 -0.069 0.000 2.593 466 A HA 0.936 5.255 4.320 -0.002 0.000 0.290 466 A C -0.434 177.171 177.584 0.035 0.000 1.126 466 A CA -0.658 51.413 52.037 0.057 0.000 0.695 466 A CB 2.050 21.182 19.000 0.220 0.000 1.290 466 A HN 0.590 nan 8.150 nan 0.000 0.414 467 T N 0.846 115.447 114.554 0.078 0.000 2.797 467 T HA 0.507 4.856 4.350 -0.002 0.000 0.279 467 T C -0.208 174.519 174.700 0.045 0.000 0.991 467 T CA -0.439 61.695 62.100 0.056 0.000 0.979 467 T CB 1.312 70.195 68.868 0.026 0.000 0.943 467 T HN 0.594 nan 8.240 nan 0.000 0.444 468 V N 4.011 123.978 119.914 0.089 0.000 2.485 468 V HA 0.032 4.151 4.120 -0.002 0.000 0.287 468 V C 1.117 177.014 176.094 -0.328 0.000 1.022 468 V CA 0.193 62.481 62.300 -0.020 0.000 1.067 468 V CB 0.662 32.523 31.823 0.064 0.000 0.967 468 V HN 0.863 nan 8.190 nan 0.000 0.479 469 V N 4.958 124.649 119.914 -0.372 0.000 3.431 469 V HA 0.253 4.372 4.120 -0.002 0.000 0.253 469 V C -0.024 175.843 176.094 -0.377 0.000 1.184 469 V CA 0.504 62.449 62.300 -0.592 0.000 1.104 469 V CB -0.073 31.557 31.823 -0.322 0.000 0.799 469 V HN 0.826 nan 8.190 nan 0.000 0.462 470 Y N -0.840 119.245 120.300 -0.358 0.000 2.604 470 Y HA 0.593 5.141 4.550 -0.002 0.000 0.331 470 Y C -1.964 173.866 175.900 -0.116 0.000 1.158 470 Y CA -1.364 56.629 58.100 -0.179 0.000 1.056 470 Y CB 1.465 39.853 38.460 -0.119 0.000 1.330 470 Y HN -0.053 nan 8.280 nan 0.000 0.457 471 L N 4.564 125.445 121.223 -0.570 0.000 2.401 471 L HA 0.653 4.992 4.340 -0.002 0.000 0.266 471 L C -0.834 175.891 176.870 -0.243 0.000 0.991 471 L CA -0.751 53.944 54.840 -0.242 0.000 0.818 471 L CB 2.306 44.200 42.059 -0.275 0.000 1.321 471 L HN 0.533 nan 8.230 nan 0.000 0.413 472 R N 1.760 122.396 120.500 0.227 0.000 2.272 472 R HA 0.285 4.624 4.340 -0.002 0.000 0.323 472 R C 0.478 176.946 176.300 0.281 0.000 1.002 472 R CA -0.454 55.839 56.100 0.320 0.000 0.900 472 R CB 1.060 31.585 30.300 0.375 0.000 1.151 472 R HN 0.631 nan 8.270 nan 0.000 0.507 473 K N 1.960 122.477 120.400 0.194 0.000 2.439 473 K HA -0.103 4.216 4.320 -0.002 0.000 0.197 473 K C 0.562 177.206 176.600 0.073 0.000 1.041 473 K CA 0.836 57.142 56.287 0.032 0.000 0.970 473 K CB 0.201 32.407 32.500 -0.490 0.000 0.773 473 K HN 0.524 nan 8.250 nan 0.000 0.479 474 E N 2.085 122.339 120.200 0.090 0.000 2.271 474 E HA -0.277 4.072 4.350 -0.002 0.000 0.209 474 E C 1.517 178.155 176.600 0.064 0.000 1.046 474 E CA 1.821 58.262 56.400 0.068 0.000 0.840 474 E CB -0.357 29.385 29.700 0.071 0.000 0.738 474 E HN 0.673 nan 8.360 nan 0.000 0.470 475 N N -0.284 118.471 118.700 0.092 0.000 2.324 475 N HA -0.085 4.654 4.740 -0.002 0.000 0.235 475 N C 1.735 177.326 175.510 0.134 0.000 1.162 475 N CA 0.623 53.731 53.050 0.096 0.000 0.834 475 N CB -0.493 38.045 38.487 0.085 0.000 1.354 475 N HN 0.322 nan 8.380 nan 0.000 0.471 476 C N 1.730 121.126 119.300 0.159 0.000 2.483 476 C HA -0.267 4.191 4.460 -0.002 0.000 0.243 476 C C 0.845 175.932 174.990 0.161 0.000 1.052 476 C CA 1.399 60.533 59.018 0.193 0.000 1.943 476 C CB -1.412 26.511 27.740 0.305 0.000 2.304 476 C HN 0.576 nan 8.230 nan 0.000 0.426 477 M N -0.056 119.628 119.600 0.140 0.000 2.705 477 M HA 0.686 5.165 4.480 -0.002 0.000 0.311 477 M C -0.493 175.913 176.300 0.176 0.000 1.214 477 M CA -0.415 54.947 55.300 0.104 0.000 0.920 477 M CB 1.432 34.080 32.600 0.080 0.000 1.687 477 M HN 0.718 nan 8.290 nan 0.000 0.481 478 Y N -1.260 119.084 120.300 0.073 0.000 2.604 478 Y HA 0.452 5.001 4.550 -0.002 0.000 0.331 478 Y C -1.690 174.058 175.900 -0.254 0.000 1.158 478 Y CA -1.346 56.724 58.100 -0.049 0.000 1.056 478 Y CB 0.826 39.269 38.460 -0.028 0.000 1.330 478 Y HN 0.721 nan 8.280 nan 0.000 0.457 479 Q N 2.690 122.353 119.800 -0.229 0.000 2.286 479 Q HA 0.719 5.058 4.340 -0.002 0.000 0.257 479 Q C -0.728 175.090 176.000 -0.303 0.000 0.941 479 Q CA -0.137 55.201 55.803 -0.776 0.000 0.912 479 Q CB 1.747 30.128 28.738 -0.594 0.000 1.192 479 Q HN 0.859 nan 8.270 nan 0.000 0.410 480 A N 1.630 124.181 122.820 -0.448 0.000 2.435 480 A HA 0.326 4.645 4.320 -0.002 0.000 0.304 480 A C -0.491 177.015 177.584 -0.130 0.000 1.064 480 A CA -0.774 51.194 52.037 -0.114 0.000 0.727 480 A CB 1.473 20.443 19.000 -0.050 0.000 1.284 480 A HN 0.954 nan 8.150 nan 0.000 0.415 481 C N 4.206 123.466 119.300 -0.067 0.000 2.155 481 C HA 0.166 4.625 4.460 -0.002 0.000 0.396 481 C C -1.179 173.637 174.990 -0.291 0.000 1.545 481 C CA -0.020 58.884 59.018 -0.191 0.000 1.442 481 C CB -0.343 27.340 27.740 -0.095 0.000 2.553 481 C HN 0.538 nan 8.230 nan 0.000 0.598 482 P HA 0.110 nan 4.420 nan 0.000 0.249 482 P C 0.092 177.182 177.300 -0.350 0.000 1.544 482 P CA 0.268 63.168 63.100 -0.333 0.000 0.932 482 P CB -0.476 31.076 31.700 -0.247 0.000 1.524 483 T N -2.944 111.392 114.554 -0.363 0.000 2.799 483 T HA 0.269 4.618 4.350 -0.002 0.000 0.286 483 T C 0.323 174.964 174.700 -0.098 0.000 0.973 483 T CA -0.763 61.232 62.100 -0.175 0.000 1.035 483 T CB 1.107 69.936 68.868 -0.065 0.000 0.932 483 T HN -0.067 nan 8.240 nan 0.000 0.469 484 Q N 1.636 121.404 119.800 -0.053 0.000 2.349 484 Q HA 0.007 4.346 4.340 -0.002 0.000 0.287 484 Q C 0.313 176.295 176.000 -0.030 0.000 1.044 484 Q CA 0.895 56.675 55.803 -0.038 0.000 0.918 484 Q CB 0.351 29.077 28.738 -0.020 0.000 1.242 484 Q HN 0.949 nan 8.270 nan 0.000 0.405 485 D N -0.690 119.692 120.400 -0.030 0.000 2.911 485 D HA -0.180 4.459 4.640 -0.002 0.000 0.199 485 D C -0.260 176.028 176.300 -0.021 0.000 1.041 485 D CA 0.924 54.910 54.000 -0.024 0.000 1.013 485 D CB -1.094 39.697 40.800 -0.016 0.000 1.093 485 D HN 0.600 nan 8.370 nan 0.000 0.431 486 C N 0.513 119.799 119.300 -0.024 0.000 2.454 486 C HA 0.737 5.196 4.460 -0.002 0.000 0.336 486 C C 0.054 175.037 174.990 -0.012 0.000 1.189 486 C CA -0.451 58.561 59.018 -0.010 0.000 1.877 486 C CB 1.335 29.078 27.740 0.004 0.000 2.348 486 C HN 0.274 nan 8.230 nan 0.000 0.508 487 N N 2.785 121.492 118.700 0.013 0.000 2.604 487 N HA 0.123 4.862 4.740 -0.002 0.000 0.284 487 N C -1.188 174.391 175.510 0.116 0.000 1.716 487 N CA -0.405 52.684 53.050 0.066 0.000 0.859 487 N CB 0.521 39.055 38.487 0.078 0.000 1.403 487 N HN 0.574 nan 8.380 nan 0.000 0.501 488 K N 1.432 121.867 120.400 0.057 0.000 2.154 488 K HA 0.168 4.487 4.320 -0.002 0.000 0.264 488 K C 0.422 177.048 176.600 0.044 0.000 1.008 488 K CA -0.326 55.969 56.287 0.014 0.000 0.937 488 K CB 0.912 33.424 32.500 0.019 0.000 1.002 488 K HN 0.002 nan 8.250 nan 0.000 0.469 489 K N 3.923 124.282 120.400 -0.068 0.000 2.081 489 K HA 0.060 4.379 4.320 -0.002 0.000 0.230 489 K C -0.089 176.545 176.600 0.055 0.000 1.199 489 K CA -0.293 55.977 56.287 -0.029 0.000 1.130 489 K CB -0.664 31.731 32.500 -0.175 0.000 1.386 489 K HN 0.419 nan 8.250 nan 0.000 0.280 490 V N 2.151 122.127 119.914 0.103 0.000 2.902 490 V HA -0.096 4.023 4.120 -0.002 0.000 0.297 490 V C 0.574 176.783 176.094 0.192 0.000 1.230 490 V CA 0.157 62.559 62.300 0.170 0.000 1.344 490 V CB -0.220 31.744 31.823 0.234 0.000 0.889 490 V HN 0.383 nan 8.190 nan 0.000 0.515 491 I N 2.728 123.420 120.570 0.204 0.000 2.472 491 I HA 0.281 4.449 4.170 -0.002 0.000 0.290 491 I C 0.486 176.777 176.117 0.290 0.000 1.016 491 I CA -0.208 61.205 61.300 0.188 0.000 1.348 491 I CB 1.099 39.169 38.000 0.116 0.000 1.417 491 I HN 0.726 nan 8.210 nan 0.000 0.521 492 D N 6.100 126.675 120.400 0.290 0.000 2.339 492 D HA 0.029 4.668 4.640 -0.002 0.000 0.241 492 D C 0.534 176.870 176.300 0.061 0.000 1.183 492 D CA -0.192 53.990 54.000 0.302 0.000 0.859 492 D CB 1.154 42.135 40.800 0.301 0.000 1.067 492 D HN 0.450 nan 8.370 nan 0.000 0.484 493 Q N 2.513 122.275 119.800 -0.064 0.000 2.482 493 Q HA -0.070 4.269 4.340 -0.002 0.000 0.209 493 Q C 0.684 176.631 176.000 -0.087 0.000 0.961 493 Q CA 0.306 56.067 55.803 -0.069 0.000 0.945 493 Q CB 0.178 28.860 28.738 -0.094 0.000 1.012 493 Q HN 0.680 nan 8.270 nan 0.000 0.515 494 Q N -0.576 119.163 119.800 -0.102 0.000 2.284 494 Q HA -0.266 4.073 4.340 -0.002 0.000 0.205 494 Q C 0.409 176.343 176.000 -0.111 0.000 0.682 494 Q CA 1.423 57.178 55.803 -0.081 0.000 1.401 494 Q CB -1.527 27.189 28.738 -0.036 0.000 1.643 494 Q HN 0.803 nan 8.270 nan 0.000 0.717 495 N N -1.132 117.476 118.700 -0.153 0.000 2.238 495 N HA 0.320 5.059 4.740 -0.002 0.000 0.222 495 N C 0.783 176.175 175.510 -0.198 0.000 1.133 495 N CA 0.179 53.145 53.050 -0.141 0.000 0.854 495 N CB 1.034 39.455 38.487 -0.110 0.000 1.041 495 N HN 0.253 nan 8.380 nan 0.000 0.510 496 G N 0.878 109.497 108.800 -0.302 0.000 2.198 496 G HA2 -0.234 3.724 3.960 -0.002 0.000 0.257 496 G HA3 -0.234 3.724 3.960 -0.002 0.000 0.257 496 G C -0.506 174.116 174.900 -0.463 0.000 1.042 496 G CA 0.136 45.015 45.100 -0.368 0.000 0.791 496 G HN 0.357 nan 8.290 nan 0.000 0.502 497 L N -1.349 119.497 121.223 -0.628 0.000 2.466 497 L HA 0.668 5.007 4.340 -0.002 0.000 0.258 497 L C -0.723 175.769 176.870 -0.632 0.000 0.973 497 L CA -1.327 53.231 54.840 -0.470 0.000 0.826 497 L CB 2.041 43.974 42.059 -0.211 0.000 1.372 497 L HN 0.131 nan 8.230 nan 0.000 0.409 498 Y N 0.758 121.091 120.300 0.055 0.000 2.462 498 Y HA 0.649 5.197 4.550 -0.002 0.000 0.346 498 Y C -0.282 175.717 175.900 0.165 0.000 0.976 498 Y CA -0.768 57.396 58.100 0.107 0.000 1.044 498 Y CB 2.131 40.683 38.460 0.153 0.000 1.230 498 Y HN 0.412 nan 8.280 nan 0.000 0.455 499 R N 1.345 122.010 120.500 0.275 0.000 2.637 499 R HA 0.715 5.054 4.340 -0.002 0.000 0.291 499 R C -1.651 174.784 176.300 0.225 0.000 0.963 499 R CA -0.581 55.642 56.100 0.205 0.000 0.901 499 R CB 1.387 31.739 30.300 0.086 0.000 1.160 499 R HN 0.906 nan 8.270 nan 0.000 0.457 500 C N 5.031 124.482 119.300 0.251 0.000 2.239 500 C HA 0.303 4.761 4.460 -0.002 0.000 0.323 500 C C 0.909 175.978 174.990 0.131 0.000 1.205 500 C CA -0.523 58.619 59.018 0.207 0.000 1.584 500 C CB 0.174 28.088 27.740 0.290 0.000 2.201 500 C HN 0.948 nan 8.230 nan 0.000 0.475 501 E N 2.934 123.184 120.200 0.085 0.000 2.533 501 E HA -0.171 4.178 4.350 -0.002 0.000 0.203 501 E C 1.529 178.157 176.600 0.046 0.000 1.101 501 E CA 0.476 56.908 56.400 0.053 0.000 0.894 501 E CB 0.279 30.000 29.700 0.035 0.000 0.843 501 E HN 0.776 nan 8.360 nan 0.000 0.552 502 K N 0.271 120.708 120.400 0.061 0.000 2.216 502 K HA 0.004 4.323 4.320 -0.002 0.000 0.207 502 K C 1.905 178.542 176.600 0.061 0.000 1.041 502 K CA 0.525 56.841 56.287 0.048 0.000 0.966 502 K CB 0.013 32.538 32.500 0.041 0.000 0.955 502 K HN 0.073 nan 8.250 nan 0.000 0.468 503 C N 2.033 121.393 119.300 0.101 0.000 2.472 503 C HA 0.004 4.462 4.460 -0.002 0.000 0.278 503 C C 0.245 175.281 174.990 0.077 0.000 1.447 503 C CA 0.632 59.719 59.018 0.115 0.000 1.773 503 C CB -1.241 26.633 27.740 0.224 0.000 1.793 503 C HN 0.821 nan 8.230 nan 0.000 0.544 504 D N 0.457 120.894 120.400 0.061 0.000 2.746 504 D HA -0.145 4.494 4.640 -0.002 0.000 0.241 504 D C -0.556 175.727 176.300 -0.029 0.000 1.140 504 D CA 0.890 54.901 54.000 0.018 0.000 0.707 504 D CB -0.917 39.886 40.800 0.005 0.000 1.034 504 D HN 0.494 nan 8.370 nan 0.000 0.423 505 T N 1.279 115.806 114.554 -0.045 0.000 2.956 505 T HA 0.429 4.778 4.350 -0.002 0.000 0.312 505 T C -0.633 173.841 174.700 -0.377 0.000 1.151 505 T CA -0.954 60.971 62.100 -0.292 0.000 1.024 505 T CB 1.890 70.425 68.868 -0.554 0.000 1.140 505 T HN 0.110 nan 8.240 nan 0.000 0.473 506 E N 1.370 121.298 120.200 -0.453 0.000 2.191 506 E HA 0.619 4.967 4.350 -0.002 0.000 0.278 506 E C -1.163 175.156 176.600 -0.470 0.000 0.972 506 E CA -0.500 55.742 56.400 -0.262 0.000 0.804 506 E CB 1.285 30.897 29.700 -0.146 0.000 1.110 506 E HN 0.410 nan 8.360 nan 0.000 0.394 507 F N 2.220 122.215 119.950 0.075 0.000 2.640 507 F HA 0.341 4.866 4.527 -0.002 0.000 0.324 507 F C -1.635 174.214 175.800 0.082 0.000 1.077 507 F CA -1.744 56.307 58.000 0.085 0.000 0.965 507 F CB 1.524 40.600 39.000 0.126 0.000 1.351 507 F HN 0.289 nan 8.300 nan 0.000 0.487 508 P HA 0.006 nan 4.420 nan 0.000 0.218 508 P C -0.249 177.177 177.300 0.212 0.000 1.140 508 P CA 0.728 63.903 63.100 0.125 0.000 0.883 508 P CB 0.418 32.159 31.700 0.069 0.000 0.828 509 N N -0.175 118.656 118.700 0.219 0.000 2.381 509 N HA 0.116 4.855 4.740 -0.002 0.000 0.289 509 N C -0.146 175.436 175.510 0.120 0.000 1.288 509 N CA -0.146 52.986 53.050 0.137 0.000 0.960 509 N CB 0.033 38.587 38.487 0.110 0.000 1.116 509 N HN 0.036 nan 8.380 nan 0.000 0.557 510 F N -1.782 118.122 119.950 -0.075 0.000 2.876 510 F HA 0.497 5.022 4.527 -0.002 0.000 0.358 510 F C -0.246 175.447 175.800 -0.178 0.000 1.209 510 F CA -1.167 56.701 58.000 -0.221 0.000 1.051 510 F CB 1.942 40.763 39.000 -0.298 0.000 1.474 510 F HN 0.383 nan 8.300 nan 0.000 0.521 511 K N 1.709 122.022 120.400 -0.144 0.000 2.474 511 K HA 0.132 4.451 4.320 -0.002 0.000 0.313 511 K C -2.285 174.048 176.600 -0.446 0.000 1.204 511 K CA -0.316 55.854 56.287 -0.194 0.000 1.122 511 K CB 0.646 33.050 32.500 -0.160 0.000 1.407 511 K HN 0.548 nan 8.250 nan 0.000 0.450 512 Y N 2.487 122.542 120.300 -0.408 0.000 2.301 512 Y HA 0.446 4.995 4.550 -0.002 0.000 0.325 512 Y C 0.530 176.164 175.900 -0.444 0.000 1.203 512 Y CA -0.061 57.748 58.100 -0.485 0.000 1.255 512 Y CB 1.239 39.512 38.460 -0.311 0.000 1.232 512 Y HN 0.272 nan 8.280 nan 0.000 0.501 513 R N 2.967 123.212 120.500 -0.424 0.000 2.673 513 R HA 0.406 4.745 4.340 -0.002 0.000 0.281 513 R C -1.132 174.931 176.300 -0.395 0.000 0.991 513 R CA -1.100 54.701 56.100 -0.497 0.000 0.896 513 R CB 1.907 31.745 30.300 -0.769 0.000 1.201 513 R HN 0.558 nan 8.270 nan 0.000 0.457 514 M N 3.074 122.587 119.600 -0.144 0.000 2.274 514 M HA 0.399 4.878 4.480 -0.002 0.000 0.344 514 M C 0.126 176.485 176.300 0.098 0.000 1.161 514 M CA -0.024 55.269 55.300 -0.012 0.000 1.126 514 M CB 0.900 33.499 32.600 -0.002 0.000 1.522 514 M HN 0.666 nan 8.290 nan 0.000 0.461 515 I N 4.288 124.933 120.570 0.125 0.000 2.727 515 I HA 0.128 4.297 4.170 -0.002 0.000 0.262 515 I C -1.857 174.285 176.117 0.042 0.000 1.611 515 I CA -0.486 60.889 61.300 0.124 0.000 0.849 515 I CB 0.498 38.678 38.000 0.301 0.000 1.539 515 I HN 0.454 nan 8.210 nan 0.000 0.527 516 L N 4.224 125.436 121.223 -0.019 0.000 2.367 516 L HA 0.407 4.745 4.340 -0.002 0.000 0.275 516 L C 0.189 177.035 176.870 -0.041 0.000 1.129 516 L CA 0.690 55.526 54.840 -0.007 0.000 0.839 516 L CB 1.450 43.474 42.059 -0.060 0.000 1.133 516 L HN 0.529 nan 8.230 nan 0.000 0.453 517 S N 4.906 120.638 115.700 0.053 0.000 2.422 517 S HA 0.645 5.114 4.470 -0.002 0.000 0.298 517 S C -0.631 174.077 174.600 0.181 0.000 1.118 517 S CA -0.677 57.585 58.200 0.104 0.000 1.083 517 S CB 0.248 63.540 63.200 0.153 0.000 0.971 517 S HN 0.471 nan 8.310 nan 0.000 0.478 518 V N 4.998 124.955 119.914 0.073 0.000 2.581 518 V HA 0.521 4.640 4.120 -0.002 0.000 0.303 518 V C -0.047 175.966 176.094 -0.135 0.000 1.041 518 V CA -1.111 61.167 62.300 -0.037 0.000 0.907 518 V CB 1.771 33.477 31.823 -0.194 0.000 0.994 518 V HN 0.902 nan 8.190 nan 0.000 0.442 519 N N 3.770 122.250 118.700 -0.367 0.000 2.443 519 N HA 0.579 5.318 4.740 -0.002 0.000 0.269 519 N C -0.801 174.438 175.510 -0.453 0.000 0.985 519 N CA -0.616 51.938 53.050 -0.826 0.000 0.921 519 N CB 1.142 38.685 38.487 -1.574 0.000 1.195 519 N HN 0.805 nan 8.380 nan 0.000 0.492 520 I N 0.174 120.538 120.570 -0.344 0.000 2.648 520 I HA 0.986 5.155 4.170 -0.002 0.000 0.304 520 I C -0.887 175.159 176.117 -0.117 0.000 1.009 520 I CA -1.098 60.125 61.300 -0.129 0.000 1.114 520 I CB 1.993 40.032 38.000 0.066 0.000 1.293 520 I HN 0.539 nan 8.210 nan 0.000 0.449 521 A N 3.360 126.152 122.820 -0.045 0.000 2.594 521 A HA 0.775 5.094 4.320 -0.002 0.000 0.291 521 A C -1.663 175.925 177.584 0.006 0.000 1.105 521 A CA -0.446 51.566 52.037 -0.043 0.000 0.694 521 A CB 1.844 20.804 19.000 -0.066 0.000 1.291 521 A HN 0.944 nan 8.150 nan 0.000 0.410 522 D N -1.457 118.924 120.400 -0.032 0.000 2.714 522 D HA 0.446 5.085 4.640 -0.002 0.000 0.278 522 D C 0.501 176.769 176.300 -0.054 0.000 1.102 522 D CA -0.260 53.731 54.000 -0.015 0.000 1.108 522 D CB -0.125 40.628 40.800 -0.078 0.000 1.444 522 D HN 0.668 nan 8.370 nan 0.000 0.568 523 F N -1.530 118.456 119.950 0.059 0.000 2.481 523 F HA -0.026 4.500 4.527 -0.002 0.000 0.297 523 F C 1.524 177.337 175.800 0.023 0.000 1.095 523 F CA 1.373 59.398 58.000 0.043 0.000 1.465 523 F CB -0.276 38.748 39.000 0.041 0.000 1.098 523 F HN 0.455 nan 8.300 nan 0.000 0.585 524 Q N -0.923 118.510 119.800 -0.612 0.000 2.101 524 Q HA 0.214 4.553 4.340 -0.002 0.000 0.236 524 Q C -0.333 175.551 176.000 -0.193 0.000 0.772 524 Q CA -0.024 55.535 55.803 -0.408 0.000 0.944 524 Q CB 0.800 29.116 28.738 -0.704 0.000 1.171 524 Q HN 0.374 nan 8.270 nan 0.000 0.463 525 E N 0.613 120.708 120.200 -0.174 0.000 2.439 525 E HA 0.264 4.613 4.350 -0.002 0.000 0.279 525 E C -1.516 175.038 176.600 -0.078 0.000 1.077 525 E CA -0.504 55.856 56.400 -0.066 0.000 0.849 525 E CB 1.551 31.244 29.700 -0.011 0.000 1.408 525 E HN 0.390 nan 8.360 nan 0.000 0.457 526 N N 0.323 118.984 118.700 -0.065 0.000 2.629 526 N HA 0.599 5.338 4.740 -0.002 0.000 0.279 526 N C -1.064 174.382 175.510 -0.106 0.000 1.344 526 N CA -0.557 52.427 53.050 -0.111 0.000 0.789 526 N CB 2.813 41.200 38.487 -0.167 0.000 1.508 526 N HN 0.322 nan 8.380 nan 0.000 0.516 527 Q N -0.556 119.136 119.800 -0.179 0.000 2.438 527 Q HA 0.392 4.731 4.340 -0.002 0.000 0.272 527 Q C -2.474 173.406 176.000 -0.201 0.000 0.994 527 Q CA -0.444 55.300 55.803 -0.099 0.000 0.887 527 Q CB 1.321 30.058 28.738 -0.002 0.000 1.432 527 Q HN 0.668 nan 8.270 nan 0.000 0.392 528 W N 3.982 125.260 121.300 -0.035 0.000 2.361 528 W HA 0.627 5.286 4.660 -0.002 0.000 0.309 528 W C 0.108 176.572 176.519 -0.092 0.000 1.122 528 W CA -0.191 57.120 57.345 -0.058 0.000 1.208 528 W CB 1.381 30.813 29.460 -0.046 0.000 1.246 528 W HN 0.585 nan 8.180 nan 0.000 0.490 529 V N 0.106 120.058 119.914 0.063 0.000 3.184 529 V HA 0.927 5.046 4.120 -0.002 0.000 0.308 529 V C -0.321 175.713 176.094 -0.101 0.000 1.243 529 V CA -1.074 61.178 62.300 -0.079 0.000 1.058 529 V CB 1.589 33.264 31.823 -0.246 0.000 1.183 529 V HN 0.467 nan 8.190 nan 0.000 0.471 530 T N -1.626 112.784 114.554 -0.239 0.000 2.991 530 T HA 0.585 4.933 4.350 -0.002 0.000 0.303 530 T C -0.853 173.530 174.700 -0.527 0.000 1.015 530 T CA -0.383 61.525 62.100 -0.320 0.000 1.007 530 T CB 0.511 69.190 68.868 -0.314 0.000 1.034 530 T HN 1.043 nan 8.240 nan 0.000 0.446 531 C N 4.248 123.274 119.300 -0.457 0.000 2.264 531 C HA 0.681 5.140 4.460 -0.002 0.000 0.324 531 C C 0.434 175.190 174.990 -0.389 0.000 1.267 531 C CA -0.930 57.831 59.018 -0.430 0.000 1.618 531 C CB -1.507 26.053 27.740 -0.301 0.000 2.278 531 C HN 0.874 nan 8.230 nan 0.000 0.499 532 F N 1.006 120.924 119.950 -0.054 0.000 2.299 532 F HA 0.202 4.727 4.527 -0.002 0.000 0.293 532 F C 1.967 177.748 175.800 -0.032 0.000 1.252 532 F CA -0.272 57.717 58.000 -0.018 0.000 1.160 532 F CB 0.226 39.221 39.000 -0.009 0.000 1.405 532 F HN 0.517 nan 8.300 nan 0.000 0.517 533 Q N 0.729 120.662 119.800 0.221 0.000 1.928 533 Q HA -0.335 4.004 4.340 -0.002 0.000 0.223 533 Q C 2.026 178.053 176.000 0.044 0.000 1.042 533 Q CA 2.522 58.375 55.803 0.083 0.000 0.892 533 Q CB -0.666 28.104 28.738 0.053 0.000 1.001 533 Q HN 0.624 nan 8.270 nan 0.000 0.419 534 E N -0.593 119.637 120.200 0.050 0.000 2.082 534 E HA -0.279 4.069 4.350 -0.002 0.000 0.215 534 E C 1.896 178.495 176.600 -0.002 0.000 1.048 534 E CA 2.722 59.136 56.400 0.024 0.000 0.869 534 E CB -0.683 29.035 29.700 0.030 0.000 0.773 534 E HN 0.487 nan 8.360 nan 0.000 0.466 535 S N 0.130 115.824 115.700 -0.009 0.000 2.344 535 S HA -0.181 4.288 4.470 -0.002 0.000 0.217 535 S C 2.303 176.836 174.600 -0.111 0.000 1.033 535 S CA 1.887 60.048 58.200 -0.066 0.000 1.017 535 S CB -1.085 62.057 63.200 -0.097 0.000 0.941 535 S HN 0.477 nan 8.310 nan 0.000 0.430 536 A N 1.798 124.550 122.820 -0.114 0.000 1.940 536 A HA -0.250 4.069 4.320 -0.002 0.000 0.221 536 A C 2.121 179.631 177.584 -0.124 0.000 1.190 536 A CA 2.181 54.135 52.037 -0.140 0.000 0.647 536 A CB -1.207 17.732 19.000 -0.101 0.000 0.821 536 A HN 0.775 nan 8.150 nan 0.000 0.457 537 E N -0.708 119.449 120.200 -0.072 0.000 2.204 537 E HA -0.024 4.325 4.350 -0.002 0.000 0.195 537 E C 2.238 178.808 176.600 -0.049 0.000 0.990 537 E CA 0.837 57.207 56.400 -0.050 0.000 0.821 537 E CB -0.258 29.433 29.700 -0.016 0.000 0.750 537 E HN 0.673 nan 8.360 nan 0.000 0.477 538 A N 0.764 123.546 122.820 -0.064 0.000 1.930 538 A HA -0.128 4.191 4.320 -0.002 0.000 0.217 538 A C 2.101 179.631 177.584 -0.090 0.000 1.175 538 A CA 0.942 52.947 52.037 -0.053 0.000 0.627 538 A CB -0.366 18.596 19.000 -0.065 0.000 0.815 538 A HN 0.150 nan 8.150 nan 0.000 0.443 539 I N -0.812 119.636 120.570 -0.202 0.000 2.500 539 I HA -0.123 4.046 4.170 -0.002 0.000 0.252 539 I C 2.036 178.086 176.117 -0.112 0.000 1.142 539 I CA 0.818 61.966 61.300 -0.253 0.000 1.451 539 I CB -0.153 37.618 38.000 -0.382 0.000 1.093 539 I HN 0.234 nan 8.210 nan 0.000 0.430 540 L N -0.092 121.039 121.223 -0.153 0.000 2.354 540 L HA 0.248 4.586 4.340 -0.002 0.000 0.212 540 L C 1.735 178.565 176.870 -0.067 0.000 1.091 540 L CA 0.807 55.547 54.840 -0.167 0.000 0.828 540 L CB -0.210 41.691 42.059 -0.263 0.000 0.973 540 L HN 0.460 nan 8.230 nan 0.000 0.461 541 G N -0.494 108.290 108.800 -0.027 0.000 2.175 541 G HA2 -0.188 3.770 3.960 -0.002 0.000 0.244 541 G HA3 -0.188 3.770 3.960 -0.002 0.000 0.244 541 G C 0.093 175.021 174.900 0.047 0.000 0.982 541 G CA -0.262 44.849 45.100 0.019 0.000 0.641 541 G HN 0.285 nan 8.290 nan 0.000 0.527 542 Q N 0.630 120.449 119.800 0.031 0.000 2.337 542 Q HA 0.398 4.736 4.340 -0.002 0.000 0.270 542 Q C -0.136 175.897 176.000 0.055 0.000 1.043 542 Q CA -0.666 55.194 55.803 0.095 0.000 0.794 542 Q CB 1.480 30.252 28.738 0.056 0.000 1.281 542 Q HN 0.648 nan 8.270 nan 0.000 0.446 543 N N -0.282 118.489 118.700 0.118 0.000 2.454 543 N HA 0.115 4.854 4.740 -0.002 0.000 0.260 543 N C 0.933 176.453 175.510 0.018 0.000 1.218 543 N CA 0.451 53.543 53.050 0.069 0.000 0.904 543 N CB 0.726 39.273 38.487 0.100 0.000 1.065 543 N HN 0.634 nan 8.380 nan 0.000 0.462 544 A N 2.658 125.464 122.820 -0.023 0.000 1.997 544 A HA -0.196 4.123 4.320 -0.002 0.000 0.221 544 A C 2.173 179.699 177.584 -0.097 0.000 1.172 544 A CA 1.922 53.917 52.037 -0.070 0.000 0.645 544 A CB -1.345 17.616 19.000 -0.065 0.000 0.813 544 A HN 0.943 nan 8.150 nan 0.000 0.454 545 A N -0.350 122.460 122.820 -0.016 0.000 1.908 545 A HA -0.135 4.184 4.320 -0.002 0.000 0.211 545 A C 2.022 179.618 177.584 0.020 0.000 1.225 545 A CA 2.000 54.058 52.037 0.036 0.000 0.689 545 A CB -1.499 17.549 19.000 0.078 0.000 0.843 545 A HN 1.113 nan 8.150 nan 0.000 0.472 546 Y N 0.746 121.041 120.300 -0.008 0.000 1.977 546 Y HA -0.282 4.267 4.550 -0.002 0.000 0.264 546 Y C 2.049 177.933 175.900 -0.026 0.000 1.167 546 Y CA 2.337 60.434 58.100 -0.005 0.000 1.102 546 Y CB -1.268 37.195 38.460 0.006 0.000 0.948 546 Y HN 0.358 nan 8.280 nan 0.000 0.489 547 L N 1.402 122.141 121.223 -0.807 0.000 2.171 547 L HA -0.194 4.145 4.340 -0.002 0.000 0.216 547 L C 2.225 178.893 176.870 -0.337 0.000 1.084 547 L CA 2.522 56.957 54.840 -0.675 0.000 0.771 547 L CB -1.463 40.406 42.059 -0.318 0.000 0.890 547 L HN 0.491 nan 8.230 nan 0.000 0.437 548 G N -1.204 107.351 108.800 -0.409 0.000 2.403 548 G HA2 -0.244 3.715 3.960 -0.002 0.000 0.216 548 G HA3 -0.244 3.715 3.960 -0.002 0.000 0.216 548 G C 1.413 175.904 174.900 -0.681 0.000 1.154 548 G CA 0.549 45.229 45.100 -0.701 0.000 0.784 548 G HN 0.625 nan 8.290 nan 0.000 0.538 549 E N 0.558 120.508 120.200 -0.416 0.000 2.085 549 E HA -0.133 4.216 4.350 -0.002 0.000 0.194 549 E C 2.424 178.941 176.600 -0.139 0.000 0.994 549 E CA 0.809 57.117 56.400 -0.154 0.000 0.801 549 E CB -0.278 29.423 29.700 0.001 0.000 0.743 549 E HN 0.447 nan 8.360 nan 0.000 0.453 550 L N 0.747 121.883 121.223 -0.145 0.000 2.127 550 L HA -0.183 4.156 4.340 -0.002 0.000 0.211 550 L C 2.779 179.569 176.870 -0.132 0.000 1.089 550 L CA 1.498 56.296 54.840 -0.070 0.000 0.757 550 L CB -0.858 41.179 42.059 -0.036 0.000 0.899 550 L HN 0.190 nan 8.230 nan 0.000 0.434 551 K N 1.693 121.884 120.400 -0.349 0.000 2.030 551 K HA -0.291 4.028 4.320 -0.002 0.000 0.222 551 K C 1.538 177.829 176.600 -0.516 0.000 1.056 551 K CA 2.814 58.552 56.287 -0.914 0.000 0.957 551 K CB -0.165 31.732 32.500 -1.005 0.000 0.727 551 K HN 0.565 nan 8.250 nan 0.000 0.452 552 D N -0.638 119.587 120.400 -0.293 0.000 2.240 552 D HA -0.045 4.594 4.640 -0.002 0.000 0.206 552 D C 1.407 177.657 176.300 -0.082 0.000 0.963 552 D CA 0.535 54.439 54.000 -0.159 0.000 0.863 552 D CB -0.025 40.722 40.800 -0.088 0.000 0.973 552 D HN 0.251 nan 8.370 nan 0.000 0.501 553 K N 0.393 120.759 120.400 -0.057 0.000 1.975 553 K HA -0.199 4.120 4.320 -0.002 0.000 0.230 553 K C 0.604 177.200 176.600 -0.007 0.000 1.044 553 K CA 1.316 57.595 56.287 -0.013 0.000 1.022 553 K CB -0.483 32.023 32.500 0.009 0.000 0.739 553 K HN 0.166 nan 8.250 nan 0.000 0.446 554 N N 0.907 119.610 118.700 0.006 0.000 2.501 554 N HA -0.010 4.728 4.740 -0.002 0.000 0.245 554 N C 0.259 175.784 175.510 0.024 0.000 0.974 554 N CA -0.090 52.973 53.050 0.023 0.000 0.941 554 N CB 1.042 39.556 38.487 0.045 0.000 1.122 554 N HN 0.208 nan 8.380 nan 0.000 0.507 555 E N 2.341 122.544 120.200 0.006 0.000 2.268 555 E HA -0.175 4.174 4.350 -0.002 0.000 0.195 555 E C 0.856 177.495 176.600 0.064 0.000 0.995 555 E CA 1.210 57.613 56.400 0.005 0.000 0.836 555 E CB 0.354 30.042 29.700 -0.020 0.000 0.763 555 E HN 0.713 nan 8.360 nan 0.000 0.491 556 Q N -0.718 119.117 119.800 0.058 0.000 2.302 556 Q HA 0.096 4.435 4.340 -0.002 0.000 0.202 556 Q C 1.989 178.035 176.000 0.077 0.000 0.936 556 Q CA 0.718 56.558 55.803 0.062 0.000 0.886 556 Q CB 0.295 29.060 28.738 0.044 0.000 0.986 556 Q HN 0.226 nan 8.270 nan 0.000 0.487 557 A N 0.275 123.147 122.820 0.088 0.000 2.066 557 A HA -0.126 4.192 4.320 -0.002 0.000 0.218 557 A C 1.685 179.340 177.584 0.119 0.000 1.157 557 A CA 0.633 52.725 52.037 0.091 0.000 0.670 557 A CB -0.412 18.640 19.000 0.087 0.000 0.804 557 A HN 0.359 nan 8.150 nan 0.000 0.453 558 F N 1.059 120.986 119.950 -0.038 0.000 2.074 558 F HA -0.068 4.458 4.527 -0.002 0.000 0.293 558 F C 2.060 177.850 175.800 -0.016 0.000 1.116 558 F CA 1.771 59.730 58.000 -0.069 0.000 1.212 558 F CB -0.208 38.699 39.000 -0.155 0.000 0.998 558 F HN 0.192 nan 8.300 nan 0.000 0.471 559 E N 0.729 120.962 120.200 0.055 0.000 2.394 559 E HA -0.205 4.143 4.350 -0.002 0.000 0.202 559 E C 1.960 178.581 176.600 0.035 0.000 1.029 559 E CA 0.821 57.228 56.400 0.012 0.000 0.855 559 E CB -0.345 29.383 29.700 0.047 0.000 0.770 559 E HN 0.545 nan 8.360 nan 0.000 0.527 560 E N 0.233 120.450 120.200 0.029 0.000 2.007 560 E HA -0.112 4.236 4.350 -0.002 0.000 0.194 560 E C 2.347 178.961 176.600 0.024 0.000 0.999 560 E CA 0.739 57.159 56.400 0.032 0.000 0.811 560 E CB -0.465 29.256 29.700 0.036 0.000 0.762 560 E HN 0.116 nan 8.360 nan 0.000 0.450 561 V N 1.033 120.947 119.914 0.000 0.000 2.295 561 V HA -0.222 3.897 4.120 -0.002 0.000 0.246 561 V C 1.947 178.005 176.094 -0.061 0.000 1.049 561 V CA 1.437 63.714 62.300 -0.038 0.000 1.024 561 V CB -0.623 31.143 31.823 -0.096 0.000 0.648 561 V HN 0.141 nan 8.190 nan 0.000 0.447 562 F N 0.075 119.877 119.950 -0.248 0.000 2.753 562 F HA -0.030 4.496 4.527 -0.002 0.000 0.299 562 F C 2.018 177.744 175.800 -0.124 0.000 1.265 562 F CA 0.665 58.537 58.000 -0.213 0.000 1.453 562 F CB -0.392 38.448 39.000 -0.266 0.000 1.118 562 F HN 0.245 nan 8.300 nan 0.000 0.579 563 Q N -1.283 118.542 119.800 0.042 0.000 2.599 563 Q HA 0.038 4.377 4.340 -0.002 0.000 0.229 563 Q C 2.036 178.065 176.000 0.048 0.000 0.800 563 Q CA 0.294 56.130 55.803 0.056 0.000 0.937 563 Q CB -0.720 28.053 28.738 0.059 0.000 1.285 563 Q HN 0.303 nan 8.270 nan 0.000 0.600 564 N N 1.105 119.820 118.700 0.024 0.000 2.453 564 N HA -0.091 4.648 4.740 -0.002 0.000 0.183 564 N C 1.334 176.856 175.510 0.021 0.000 1.041 564 N CA 1.138 54.203 53.050 0.026 0.000 0.900 564 N CB 0.350 38.847 38.487 0.016 0.000 0.961 564 N HN 0.169 nan 8.380 nan 0.000 0.443 565 A N 0.459 123.264 122.820 -0.024 0.000 1.935 565 A HA 0.017 4.335 4.320 -0.002 0.000 0.214 565 A C 1.267 178.854 177.584 0.005 0.000 1.178 565 A CA -0.007 52.010 52.037 -0.033 0.000 0.640 565 A CB -0.500 18.392 19.000 -0.180 0.000 0.825 565 A HN 0.427 nan 8.150 nan 0.000 0.447 566 N N -1.298 117.402 118.700 -0.000 0.000 2.344 566 N HA 0.126 4.865 4.740 -0.002 0.000 0.236 566 N C -0.708 174.899 175.510 0.161 0.000 1.279 566 N CA 0.012 53.071 53.050 0.014 0.000 0.882 566 N CB -0.024 38.521 38.487 0.096 0.000 1.110 566 N HN 0.230 nan 8.380 nan 0.000 0.436 567 F N -0.811 119.158 119.950 0.032 0.000 3.079 567 F HA -0.238 4.288 4.527 -0.002 0.000 0.274 567 F C 0.244 176.045 175.800 0.003 0.000 0.940 567 F CA 0.647 58.663 58.000 0.026 0.000 0.932 567 F CB -1.001 38.010 39.000 0.018 0.000 0.891 567 F HN 0.373 nan 8.300 nan 0.000 0.722 568 R N -0.252 120.285 120.500 0.062 0.000 2.732 568 R HA 0.777 5.115 4.340 -0.002 0.000 0.278 568 R C 0.130 176.297 176.300 -0.223 0.000 0.976 568 R CA -0.851 55.205 56.100 -0.074 0.000 0.963 568 R CB 1.986 32.252 30.300 -0.057 0.000 1.150 568 R HN 0.017 nan 8.270 nan 0.000 0.478 569 S N 1.043 116.432 115.700 -0.519 0.000 2.568 569 S HA 0.819 5.287 4.470 -0.002 0.000 0.302 569 S C -1.110 172.877 174.600 -1.023 0.000 1.082 569 S CA -0.408 57.490 58.200 -0.504 0.000 1.009 569 S CB 1.036 64.119 63.200 -0.195 0.000 1.069 569 S HN 0.350 nan 8.310 nan 0.000 0.500 570 F N 0.210 119.894 119.950 -0.443 0.000 2.715 570 F HA 0.572 5.098 4.527 -0.002 0.000 0.318 570 F C -0.709 174.671 175.800 -0.700 0.000 1.141 570 F CA -0.989 56.648 58.000 -0.606 0.000 0.950 570 F CB 0.901 39.384 39.000 -0.862 0.000 1.374 570 F HN 0.294 nan 8.300 nan 0.000 0.477 571 I N 1.921 122.332 120.570 -0.265 0.000 2.321 571 I HA 0.324 4.493 4.170 -0.002 0.000 0.291 571 I C -1.207 174.827 176.117 -0.139 0.000 0.998 571 I CA -0.192 61.017 61.300 -0.151 0.000 1.227 571 I CB 0.739 38.746 38.000 0.013 0.000 1.368 571 I HN 0.327 nan 8.210 nan 0.000 0.466 572 F N 5.034 125.010 119.950 0.044 0.000 2.458 572 F HA 0.533 5.059 4.527 -0.002 0.000 0.336 572 F C 0.392 176.113 175.800 -0.132 0.000 1.114 572 F CA -1.048 56.926 58.000 -0.042 0.000 0.987 572 F CB 1.554 40.535 39.000 -0.032 0.000 1.130 572 F HN 0.360 nan 8.300 nan 0.000 0.458 573 R N 2.509 123.035 120.500 0.042 0.000 2.265 573 R HA 0.658 4.997 4.340 -0.002 0.000 0.319 573 R C -1.650 174.497 176.300 -0.255 0.000 1.006 573 R CA -0.493 55.535 56.100 -0.120 0.000 0.880 573 R CB 1.088 31.351 30.300 -0.063 0.000 1.077 573 R HN 0.475 nan 8.270 nan 0.000 0.454 574 V N 5.049 124.636 119.914 -0.546 0.000 2.709 574 V HA 0.529 4.648 4.120 -0.002 0.000 0.308 574 V C -0.152 175.477 176.094 -0.775 0.000 1.062 574 V CA -0.964 60.897 62.300 -0.732 0.000 0.901 574 V CB 1.914 33.056 31.823 -1.135 0.000 1.003 574 V HN 0.728 nan 8.190 nan 0.000 0.425 575 R N 3.061 123.188 120.500 -0.622 0.000 2.500 575 R HA 0.838 5.176 4.340 -0.002 0.000 0.277 575 R C -1.218 174.825 176.300 -0.428 0.000 1.026 575 R CA -0.383 55.253 56.100 -0.774 0.000 1.058 575 R CB 1.797 31.735 30.300 -0.604 0.000 1.078 575 R HN 0.687 nan 8.270 nan 0.000 0.509 576 V N 0.252 119.972 119.914 -0.324 0.000 2.624 576 V HA 0.483 4.601 4.120 -0.002 0.000 0.294 576 V C -1.084 174.972 176.094 -0.062 0.000 1.077 576 V CA -0.985 61.244 62.300 -0.117 0.000 0.905 576 V CB 1.328 33.158 31.823 0.012 0.000 1.025 576 V HN 0.850 nan 8.190 nan 0.000 0.440 577 K N 2.993 123.367 120.400 -0.044 0.000 2.208 577 K HA 0.920 5.239 4.320 -0.002 0.000 0.240 577 K C -1.262 175.332 176.600 -0.010 0.000 1.088 577 K CA -0.988 55.288 56.287 -0.018 0.000 0.902 577 K CB 2.544 35.035 32.500 -0.015 0.000 1.355 577 K HN 0.508 nan 8.250 nan 0.000 0.526 578 V N 0.529 120.439 119.914 -0.006 0.000 3.130 578 V HA 0.385 4.504 4.120 -0.002 0.000 0.310 578 V C -1.494 174.596 176.094 -0.007 0.000 1.158 578 V CA -0.535 61.761 62.300 -0.006 0.000 1.029 578 V CB 2.235 34.055 31.823 -0.005 0.000 1.057 578 V HN 0.711 nan 8.190 nan 0.000 0.436 588 K N 2.754 123.151 120.400 -0.005 0.000 2.740 588 K HA 0.731 5.049 4.320 -0.002 0.000 0.246 588 K C -0.958 175.623 176.600 -0.033 0.000 1.021 588 K CA -0.371 55.908 56.287 -0.013 0.000 1.021 588 K CB 1.735 34.225 32.500 -0.016 0.000 1.233 588 K HN 0.996 nan 8.250 nan 0.000 0.497 589 A N 2.385 125.190 122.820 -0.025 0.000 2.477 589 A HA 0.337 4.656 4.320 -0.002 0.000 0.246 589 A C -0.371 177.133 177.584 -0.134 0.000 1.078 589 A CA 0.411 52.404 52.037 -0.073 0.000 0.770 589 A CB 0.278 19.262 19.000 -0.027 0.000 1.011 589 A HN 0.583 nan 8.150 nan 0.000 0.494 590 T N 2.403 116.843 114.554 -0.189 0.000 2.965 590 T HA 0.331 4.680 4.350 -0.002 0.000 0.306 590 T C -0.437 174.128 174.700 -0.225 0.000 0.991 590 T CA -0.443 61.550 62.100 -0.178 0.000 1.001 590 T CB 1.174 70.022 68.868 -0.033 0.000 0.984 590 T HN 0.406 nan 8.240 nan 0.000 0.446 591 V N 5.954 125.701 119.914 -0.278 0.000 2.377 591 V HA 0.009 4.128 4.120 -0.002 0.000 0.254 591 V C 1.554 177.575 176.094 -0.121 0.000 1.060 591 V CA 0.078 62.216 62.300 -0.270 0.000 1.068 591 V CB -0.245 31.349 31.823 -0.381 0.000 1.113 591 V HN 0.875 nan 8.190 nan 0.000 0.484 592 M N 1.748 121.289 119.600 -0.098 0.000 2.175 592 M HA 0.076 4.555 4.480 -0.002 0.000 0.264 592 M C 0.714 177.014 176.300 0.001 0.000 1.063 592 M CA 1.251 56.545 55.300 -0.010 0.000 1.119 592 M CB -0.465 32.143 32.600 0.013 0.000 1.377 592 M HN 0.678 nan 8.290 nan 0.000 0.415 593 D N -0.282 120.110 120.400 -0.013 0.000 2.663 593 D HA 0.392 5.031 4.640 -0.002 0.000 0.233 593 D C -1.693 174.655 176.300 0.080 0.000 1.240 593 D CA -0.316 53.695 54.000 0.019 0.000 0.774 593 D CB 2.548 43.358 40.800 0.015 0.000 1.443 593 D HN -0.052 nan 8.370 nan 0.000 0.441 594 V N -0.220 119.741 119.914 0.079 0.000 2.482 594 V HA 0.676 4.795 4.120 -0.002 0.000 0.295 594 V C -0.571 175.571 176.094 0.080 0.000 1.026 594 V CA -0.739 61.638 62.300 0.128 0.000 0.856 594 V CB 1.485 33.336 31.823 0.047 0.000 1.001 594 V HN 0.382 nan 8.190 nan 0.000 0.424 595 K N 5.294 125.745 120.400 0.085 0.000 2.259 595 K HA 0.632 4.951 4.320 -0.002 0.000 0.249 595 K C -2.813 173.851 176.600 0.107 0.000 0.942 595 K CA -2.084 54.254 56.287 0.084 0.000 0.816 595 K CB 2.866 35.395 32.500 0.049 0.000 1.155 595 K HN 0.542 nan 8.250 nan 0.000 0.428 596 P HA -0.012 nan 4.420 nan 0.000 0.271 596 P C -0.110 177.139 177.300 -0.085 0.000 1.216 596 P CA -0.277 62.831 63.100 0.012 0.000 0.776 596 P CB 0.594 32.303 31.700 0.015 0.000 0.881 597 V N 3.306 123.093 119.914 -0.211 0.000 2.720 597 V HA -0.101 4.018 4.120 -0.002 0.000 0.307 597 V C 0.962 176.837 176.094 -0.366 0.000 1.071 597 V CA 0.862 62.950 62.300 -0.354 0.000 1.199 597 V CB -0.347 31.103 31.823 -0.621 0.000 0.900 597 V HN 0.628 nan 8.190 nan 0.000 0.494 598 D N 3.548 123.770 120.400 -0.296 0.000 2.412 598 D HA 0.241 4.880 4.640 -0.002 0.000 0.224 598 D C 0.385 176.540 176.300 -0.241 0.000 1.093 598 D CA -0.262 53.627 54.000 -0.184 0.000 0.850 598 D CB 0.699 41.468 40.800 -0.051 0.000 1.046 598 D HN 0.466 nan 8.370 nan 0.000 0.507 599 Y N 2.491 122.831 120.300 0.067 0.000 2.293 599 Y HA -0.047 4.501 4.550 -0.002 0.000 0.291 599 Y C 2.539 178.453 175.900 0.023 0.000 1.137 599 Y CA 0.752 58.900 58.100 0.081 0.000 1.202 599 Y CB 0.126 38.610 38.460 0.041 0.000 0.990 599 Y HN 0.366 nan 8.280 nan 0.000 0.537 600 R N 0.448 121.006 120.500 0.097 0.000 2.062 600 R HA -0.172 4.167 4.340 -0.002 0.000 0.231 600 R C 2.014 178.313 176.300 -0.002 0.000 1.136 600 R CA 1.895 58.018 56.100 0.039 0.000 0.948 600 R CB -0.180 30.139 30.300 0.031 0.000 0.845 600 R HN 0.430 nan 8.270 nan 0.000 0.430 601 E N -0.657 119.541 120.200 -0.003 0.000 2.072 601 E HA -0.229 4.120 4.350 -0.002 0.000 0.191 601 E C 1.790 178.358 176.600 -0.054 0.000 0.985 601 E CA 1.042 57.428 56.400 -0.024 0.000 0.801 601 E CB -0.223 29.475 29.700 -0.004 0.000 0.750 601 E HN 0.322 nan 8.360 nan 0.000 0.452 602 Y N 1.454 121.635 120.300 -0.197 0.000 2.274 602 Y HA -0.115 4.434 4.550 -0.002 0.000 0.290 602 Y C 2.113 177.911 175.900 -0.170 0.000 1.145 602 Y CA 1.439 59.382 58.100 -0.261 0.000 1.203 602 Y CB -0.808 37.480 38.460 -0.287 0.000 0.984 602 Y HN -0.042 nan 8.280 nan 0.000 0.533 603 G N 0.378 109.057 108.800 -0.203 0.000 2.433 603 G HA2 -0.270 3.688 3.960 -0.002 0.000 0.216 603 G HA3 -0.270 3.688 3.960 -0.002 0.000 0.216 603 G C 1.823 176.605 174.900 -0.197 0.000 1.186 603 G CA 0.995 45.954 45.100 -0.236 0.000 0.779 603 G HN 0.406 nan 8.290 nan 0.000 0.543 604 R N -0.029 120.393 120.500 -0.131 0.000 2.080 604 R HA -0.005 4.333 4.340 -0.002 0.000 0.236 604 R C 2.758 178.979 176.300 -0.132 0.000 1.137 604 R CA 1.279 57.315 56.100 -0.107 0.000 0.943 604 R CB -0.399 29.858 30.300 -0.072 0.000 0.846 604 R HN 0.223 nan 8.270 nan 0.000 0.431 605 R N 0.633 121.034 120.500 -0.166 0.000 2.117 605 R HA -0.145 4.193 4.340 -0.002 0.000 0.243 605 R C 2.327 178.524 176.300 -0.172 0.000 1.143 605 R CA 1.320 57.305 56.100 -0.191 0.000 0.968 605 R CB -0.408 29.700 30.300 -0.320 0.000 0.863 605 R HN 0.252 nan 8.270 nan 0.000 0.444 606 L N -0.203 120.882 121.223 -0.230 0.000 2.056 606 L HA -0.164 4.175 4.340 -0.002 0.000 0.207 606 L C 2.298 179.069 176.870 -0.165 0.000 1.078 606 L CA 0.924 55.621 54.840 -0.239 0.000 0.749 606 L CB -0.233 41.585 42.059 -0.402 0.000 0.901 606 L HN 0.041 nan 8.230 nan 0.000 0.433 607 V N -0.572 119.254 119.914 -0.146 0.000 2.295 607 V HA -0.327 3.792 4.120 -0.002 0.000 0.246 607 V C 2.574 178.620 176.094 -0.080 0.000 1.049 607 V CA 1.581 63.818 62.300 -0.106 0.000 1.024 607 V CB -0.463 31.306 31.823 -0.090 0.000 0.648 607 V HN 0.371 nan 8.190 nan 0.000 0.447 608 M N 0.792 120.347 119.600 -0.074 0.000 2.149 608 M HA -0.127 4.351 4.480 -0.002 0.000 0.261 608 M C 2.436 178.710 176.300 -0.042 0.000 1.064 608 M CA 2.224 57.494 55.300 -0.050 0.000 1.102 608 M CB -1.543 31.031 32.600 -0.043 0.000 1.369 608 M HN 0.604 nan 8.290 nan 0.000 0.408 609 S N 0.391 116.060 115.700 -0.052 0.000 2.387 609 S HA -0.025 4.444 4.470 -0.002 0.000 0.226 609 S C 2.006 176.583 174.600 -0.039 0.000 1.026 609 S CA 0.898 59.079 58.200 -0.032 0.000 0.972 609 S CB -0.734 62.451 63.200 -0.024 0.000 0.814 609 S HN 0.448 nan 8.310 nan 0.000 0.477 610 I N 1.598 122.131 120.570 -0.062 0.000 2.179 610 I HA -0.171 3.997 4.170 -0.002 0.000 0.242 610 I C 2.944 179.034 176.117 -0.045 0.000 1.088 610 I CA 1.090 62.352 61.300 -0.064 0.000 1.357 610 I CB -0.342 37.609 38.000 -0.081 0.000 1.051 610 I HN 0.148 nan 8.210 nan 0.000 0.409 611 R N 0.756 121.231 120.500 -0.042 0.000 2.070 611 R HA -0.179 4.160 4.340 -0.002 0.000 0.233 611 R C 2.361 178.649 176.300 -0.020 0.000 1.137 611 R CA 1.428 57.510 56.100 -0.031 0.000 0.945 611 R CB -0.919 29.363 30.300 -0.030 0.000 0.845 611 R HN 0.275 nan 8.270 nan 0.000 0.430 612 R N 0.657 121.147 120.500 -0.016 0.000 2.154 612 R HA -0.122 4.217 4.340 -0.002 0.000 0.248 612 R C 2.324 178.622 176.300 -0.004 0.000 1.155 612 R CA 1.912 58.009 56.100 -0.005 0.000 0.979 612 R CB -0.485 29.816 30.300 0.002 0.000 0.869 612 R HN 0.087 nan 8.270 nan 0.000 0.452 613 S N -1.085 114.609 115.700 -0.010 0.000 2.402 613 S HA -0.009 4.460 4.470 -0.002 0.000 0.229 613 S C 1.611 176.205 174.600 -0.010 0.000 1.021 613 S CA 0.968 59.163 58.200 -0.009 0.000 0.974 613 S CB -0.122 63.067 63.200 -0.019 0.000 0.800 613 S HN 0.573 nan 8.310 nan 0.000 0.484 614 A N 0.316 123.127 122.820 -0.014 0.000 2.169 614 A HA 0.309 4.627 4.320 -0.002 0.000 0.212 614 A C 1.587 179.166 177.584 -0.007 0.000 1.153 614 A CA 0.279 52.308 52.037 -0.013 0.000 0.756 614 A CB -0.303 18.687 19.000 -0.017 0.000 0.813 614 A HN 0.519 nan 8.150 nan 0.000 0.471 615 L N -0.602 120.619 121.223 -0.005 0.000 2.627 615 L HA 0.121 4.460 4.340 -0.002 0.000 0.233 615 L C 0.723 177.594 176.870 0.002 0.000 1.144 615 L CA -0.382 54.457 54.840 -0.001 0.000 0.892 615 L CB -0.793 41.266 42.059 0.001 0.000 1.039 615 L HN 0.436 nan 8.230 nan 0.000 0.442 616 M N 0.000 119.601 119.600 0.002 0.000 2.572 616 M HA 0.000 4.479 4.480 -0.002 0.000 0.227 616 M CA 0.000 55.303 55.300 0.004 0.000 0.988 616 M CB 0.000 32.602 32.600 0.003 0.000 1.302 616 M HN 0.000 nan 8.290 nan 0.000 0.411