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 1u2j_1_H DATA FIRST_RESID 432 DATA SEQUENCE LIWQDPLPQP IYNPTEQDII DLKFAIADSG LSVSELVSVA WASASTFRGG DATA SEQUENCE DKRGGANGAR LALMPQRDWD VNAAAVRALP VLEKIQKESG KASLADIIVL DATA SEQUENCE AGVVGVEKAA SAAGLSIHVP FAPGRVDARQ DQTDIEMFEL LEPIADGFRN DATA SEQUENCE YRARLDVSTT ESLLIDKAQQ LTLTAPEMTA LVGGMRVLGA NFDGSKNGVF DATA SEQUENCE TDRVGVLSND FFVNLLDMRY EWKATDESKE LFEGRDRETG EVKFTASRAD DATA SEQUENCE LVFGSNSVLR AVAEVYASSD AHEKFVKDFV AAWVKVMNLD RFDLL 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 432 L HA 0.000 nan 4.340 nan 0.000 0.249 432 L C 0.000 176.872 176.870 0.003 0.000 1.165 432 L CA 0.000 54.831 54.840 -0.015 0.000 0.813 432 L CB 0.000 42.038 42.059 -0.035 0.000 0.961 433 I N 0.554 121.147 120.570 0.038 0.000 3.739 433 I HA 0.240 4.410 4.170 0.000 0.000 0.272 433 I C 0.085 176.270 176.117 0.114 0.000 1.167 433 I CA 0.051 61.389 61.300 0.063 0.000 1.386 433 I CB 0.879 38.925 38.000 0.078 0.000 1.490 433 I HN 0.683 nan 8.210 nan 0.000 0.452 434 W N 3.494 124.763 121.300 -0.052 0.000 2.496 434 W HA 0.449 5.109 4.660 0.000 0.000 0.327 434 W C -1.190 175.296 176.519 -0.054 0.000 1.086 434 W CA -0.122 57.190 57.345 -0.055 0.000 1.222 434 W CB 1.504 30.918 29.460 -0.076 0.000 1.304 434 W HN 0.034 nan 8.180 nan 0.000 0.547 435 Q N 3.940 123.350 119.800 -0.649 0.000 2.274 435 Q HA 0.117 4.457 4.340 0.000 0.000 0.268 435 Q C -1.200 174.498 176.000 -0.503 0.000 1.015 435 Q CA -0.617 54.954 55.803 -0.387 0.000 0.775 435 Q CB 2.507 31.093 28.738 -0.254 0.000 1.256 435 Q HN 0.405 nan 8.270 nan 0.000 0.442 436 D N 4.392 124.710 120.400 -0.137 0.000 2.325 436 D HA 0.255 4.895 4.640 0.000 0.000 0.251 436 D C -2.106 174.209 176.300 0.024 0.000 1.196 436 D CA -1.205 52.821 54.000 0.042 0.000 0.866 436 D CB 1.034 42.004 40.800 0.284 0.000 1.101 436 D HN 0.124 nan 8.370 nan 0.000 0.476 437 P HA 0.194 nan 4.420 nan 0.000 0.270 437 P C -0.656 176.663 177.300 0.032 0.000 1.223 437 P CA -0.439 62.654 63.100 -0.012 0.000 0.785 437 P CB 0.746 32.429 31.700 -0.028 0.000 0.923 438 L N 1.953 123.185 121.223 0.016 0.000 2.482 438 L HA 0.421 4.761 4.340 0.000 0.000 0.263 438 L C -2.370 174.500 176.870 0.000 0.000 0.957 438 L CA -1.953 52.899 54.840 0.020 0.000 0.836 438 L CB 1.497 43.577 42.059 0.035 0.000 1.324 438 L HN 0.331 nan 8.230 nan 0.000 0.406 439 P HA 0.193 nan 4.420 nan 0.000 0.272 439 P C -0.488 176.799 177.300 -0.022 0.000 1.230 439 P CA -0.503 62.584 63.100 -0.021 0.000 0.788 439 P CB 0.897 32.578 31.700 -0.031 0.000 0.949 440 Q N 1.619 121.402 119.800 -0.029 0.000 2.474 440 Q HA 0.167 4.507 4.340 0.000 0.000 0.256 440 Q C -2.014 173.959 176.000 -0.045 0.000 1.048 440 Q CA -0.662 55.123 55.803 -0.031 0.000 0.922 440 Q CB -0.704 28.014 28.738 -0.033 0.000 1.288 440 Q HN 0.336 nan 8.270 nan 0.000 0.484 441 P HA 0.098 nan 4.420 nan 0.000 0.275 441 P C -0.654 176.586 177.300 -0.099 0.000 1.227 441 P CA 0.198 63.269 63.100 -0.049 0.000 0.781 441 P CB 0.409 32.103 31.700 -0.010 0.000 0.906 442 I N -1.836 118.609 120.570 -0.208 0.000 3.817 442 I HA 0.415 4.585 4.170 0.000 0.000 0.325 442 I C -0.768 175.121 176.117 -0.381 0.000 1.550 442 I CA -0.402 60.727 61.300 -0.286 0.000 1.100 442 I CB -0.168 37.616 38.000 -0.359 0.000 1.216 442 I HN 0.117 nan 8.210 nan 0.000 0.481 443 Y N 0.441 120.744 120.300 0.005 0.000 2.602 443 Y HA 0.499 5.049 4.550 0.000 0.000 0.342 443 Y C -0.023 175.883 175.900 0.010 0.000 1.029 443 Y CA -1.111 56.995 58.100 0.010 0.000 1.080 443 Y CB 1.967 40.437 38.460 0.016 0.000 1.284 443 Y HN 0.079 nan 8.280 nan 0.000 0.485 444 N N 2.305 121.130 118.700 0.209 0.000 2.751 444 N HA 0.194 4.934 4.740 0.000 0.000 0.234 444 N C -3.096 172.465 175.510 0.085 0.000 1.403 444 N CA -1.315 51.804 53.050 0.114 0.000 0.747 444 N CB 0.916 39.447 38.487 0.073 0.000 1.326 444 N HN 0.275 nan 8.380 nan 0.000 0.532 445 P HA -0.018 nan 4.420 nan 0.000 0.262 445 P C 0.267 177.599 177.300 0.054 0.000 1.182 445 P CA 0.312 63.444 63.100 0.054 0.000 0.761 445 P CB 0.647 32.391 31.700 0.072 0.000 0.795 446 T N -0.675 113.903 114.554 0.040 0.000 2.849 446 T HA 0.120 4.470 4.350 0.000 0.000 0.284 446 T C 1.305 176.033 174.700 0.047 0.000 1.004 446 T CA -0.546 61.576 62.100 0.037 0.000 1.021 446 T CB 0.879 69.761 68.868 0.024 0.000 1.013 446 T HN 0.402 nan 8.240 nan 0.000 0.527 447 E N 0.419 120.647 120.200 0.046 0.000 2.113 447 E HA -0.337 4.013 4.350 0.000 0.000 0.210 447 E C 2.007 178.634 176.600 0.045 0.000 1.040 447 E CA 1.880 58.312 56.400 0.054 0.000 0.847 447 E CB -0.235 29.490 29.700 0.042 0.000 0.755 447 E HN 0.743 nan 8.360 nan 0.000 0.459 448 Q N 0.912 120.727 119.800 0.025 0.000 2.172 448 Q HA -0.140 4.200 4.340 0.000 0.000 0.200 448 Q C 1.520 177.523 176.000 0.004 0.000 0.964 448 Q CA 1.364 57.173 55.803 0.010 0.000 0.855 448 Q CB -0.035 28.702 28.738 -0.002 0.000 0.918 448 Q HN 0.174 nan 8.270 nan 0.000 0.444 449 D N -0.162 120.243 120.400 0.008 0.000 2.149 449 D HA -0.190 4.450 4.640 0.000 0.000 0.194 449 D C 1.655 177.957 176.300 0.004 0.000 1.001 449 D CA 1.346 55.346 54.000 0.000 0.000 0.849 449 D CB -0.067 40.736 40.800 0.004 0.000 0.939 449 D HN 0.373 nan 8.370 nan 0.000 0.449 450 I N 0.143 120.730 120.570 0.028 0.000 2.406 450 I HA -0.128 4.042 4.170 0.000 0.000 0.249 450 I C 2.255 178.373 176.117 0.001 0.000 1.122 450 I CA 0.278 61.592 61.300 0.024 0.000 1.431 450 I CB 0.120 38.180 38.000 0.100 0.000 1.087 450 I HN -0.072 nan 8.210 nan 0.000 0.424 451 I N 0.497 121.081 120.570 0.023 0.000 2.361 451 I HA -0.305 3.866 4.170 0.000 0.000 0.251 451 I C 1.748 177.893 176.117 0.046 0.000 1.133 451 I CA 1.417 62.737 61.300 0.032 0.000 1.413 451 I CB -0.256 37.762 38.000 0.030 0.000 1.073 451 I HN 0.256 nan 8.210 nan 0.000 0.424 452 D N 0.065 120.478 120.400 0.021 0.000 2.301 452 D HA 0.025 4.665 4.640 0.000 0.000 0.206 452 D C 2.344 178.678 176.300 0.057 0.000 0.979 452 D CA 0.590 54.607 54.000 0.028 0.000 0.874 452 D CB 0.301 41.080 40.800 -0.035 0.000 0.968 452 D HN 0.300 nan 8.370 nan 0.000 0.510 453 L N 1.002 122.232 121.223 0.010 0.000 2.017 453 L HA -0.181 4.159 4.340 0.000 0.000 0.208 453 L C 2.469 179.333 176.870 -0.010 0.000 1.073 453 L CA 1.272 56.103 54.840 -0.015 0.000 0.745 453 L CB -0.178 41.845 42.059 -0.060 0.000 0.894 453 L HN -0.088 nan 8.230 nan 0.000 0.432 454 K N -0.575 119.816 120.400 -0.015 0.000 2.026 454 K HA -0.231 4.089 4.320 0.000 0.000 0.208 454 K C 2.047 178.668 176.600 0.035 0.000 1.048 454 K CA 1.767 58.040 56.287 -0.023 0.000 0.929 454 K CB -0.322 32.160 32.500 -0.029 0.000 0.713 454 K HN 0.112 nan 8.250 nan 0.000 0.439 455 F N 1.184 121.104 119.950 -0.050 0.000 2.202 455 F HA -0.226 4.301 4.527 0.000 0.000 0.301 455 F C 1.999 177.776 175.800 -0.038 0.000 1.082 455 F CA 1.342 59.319 58.000 -0.038 0.000 1.313 455 F CB -0.011 38.971 39.000 -0.029 0.000 1.024 455 F HN -0.010 nan 8.300 nan 0.000 0.495 456 A N 0.524 123.457 122.820 0.188 0.000 1.930 456 A HA -0.025 4.295 4.320 0.000 0.000 0.215 456 A C 2.204 179.775 177.584 -0.021 0.000 1.176 456 A CA 1.350 53.447 52.037 0.099 0.000 0.632 456 A CB -0.937 18.121 19.000 0.097 0.000 0.819 456 A HN 0.470 nan 8.150 nan 0.000 0.445 457 I N -0.099 120.449 120.570 -0.037 0.000 2.226 457 I HA -0.246 3.924 4.170 0.000 0.000 0.245 457 I C 2.772 178.834 176.117 -0.092 0.000 1.100 457 I CA 1.213 62.477 61.300 -0.060 0.000 1.374 457 I CB -0.384 37.577 38.000 -0.065 0.000 1.057 457 I HN 0.343 nan 8.210 nan 0.000 0.413 458 A N -0.460 122.278 122.820 -0.136 0.000 2.168 458 A HA -0.176 4.144 4.320 0.000 0.000 0.215 458 A C 1.457 178.908 177.584 -0.223 0.000 1.152 458 A CA 1.411 53.342 52.037 -0.178 0.000 0.716 458 A CB -0.472 18.406 19.000 -0.204 0.000 0.794 458 A HN 0.385 nan 8.150 nan 0.000 0.465 459 D N -1.332 118.921 120.400 -0.245 0.000 2.462 459 D HA 0.092 4.733 4.640 0.000 0.000 0.221 459 D C 1.496 177.727 176.300 -0.115 0.000 1.173 459 D CA 0.612 54.476 54.000 -0.227 0.000 0.831 459 D CB 0.341 40.943 40.800 -0.330 0.000 1.001 459 D HN 0.412 nan 8.370 nan 0.000 0.499 460 S N -1.301 114.346 115.700 -0.089 0.000 2.548 460 S HA 0.216 4.686 4.470 0.000 0.000 0.215 460 S C 1.841 176.414 174.600 -0.045 0.000 0.976 460 S CA 0.251 58.420 58.200 -0.052 0.000 0.908 460 S CB 0.373 63.549 63.200 -0.040 0.000 0.781 460 S HN 0.239 nan 8.310 nan 0.000 0.519 461 G N 1.170 109.936 108.800 -0.057 0.000 2.160 461 G HA2 -0.237 3.723 3.960 0.000 0.000 0.251 461 G HA3 -0.237 3.723 3.960 0.000 0.000 0.251 461 G C -0.145 174.733 174.900 -0.036 0.000 1.008 461 G CA 0.288 45.361 45.100 -0.045 0.000 0.724 461 G HN 0.559 nan 8.290 nan 0.000 0.514 462 L N 2.084 123.284 121.223 -0.037 0.000 2.319 462 L HA 0.439 4.779 4.340 0.000 0.000 0.280 462 L C 1.547 178.398 176.870 -0.030 0.000 1.099 462 L CA -0.030 54.794 54.840 -0.026 0.000 0.828 462 L CB 1.017 43.065 42.059 -0.019 0.000 1.150 462 L HN 0.444 nan 8.230 nan 0.000 0.442 463 S N 1.960 117.646 115.700 -0.024 0.000 2.549 463 S HA -0.021 4.449 4.470 0.000 0.000 0.278 463 S C 1.416 175.998 174.600 -0.030 0.000 1.344 463 S CA -0.744 57.439 58.200 -0.027 0.000 1.025 463 S CB 0.729 63.917 63.200 -0.021 0.000 0.851 463 S HN 0.359 nan 8.310 nan 0.000 0.530 464 V N 2.059 121.949 119.914 -0.041 0.000 2.278 464 V HA -0.245 3.875 4.120 0.000 0.000 0.251 464 V C 3.031 179.106 176.094 -0.033 0.000 1.062 464 V CA 2.627 64.897 62.300 -0.050 0.000 1.038 464 V CB -1.625 30.155 31.823 -0.070 0.000 0.646 464 V HN 1.141 nan 8.190 nan 0.000 0.447 465 S N -0.325 115.359 115.700 -0.026 0.000 2.368 465 S HA -0.245 4.225 4.470 0.000 0.000 0.224 465 S C 1.826 176.440 174.600 0.024 0.000 1.029 465 S CA 1.713 59.907 58.200 -0.010 0.000 0.988 465 S CB -0.541 62.648 63.200 -0.018 0.000 0.838 465 S HN 0.720 nan 8.310 nan 0.000 0.462 466 E N 1.119 121.330 120.200 0.018 0.000 2.118 466 E HA -0.056 4.294 4.350 0.000 0.000 0.195 466 E C 2.108 178.740 176.600 0.053 0.000 0.992 466 E CA 1.356 57.776 56.400 0.034 0.000 0.804 466 E CB -0.369 29.341 29.700 0.016 0.000 0.741 466 E HN 0.528 nan 8.360 nan 0.000 0.458 467 L N 0.254 121.500 121.223 0.038 0.000 2.072 467 L HA -0.145 4.195 4.340 0.000 0.000 0.205 467 L C 2.429 179.374 176.870 0.125 0.000 1.079 467 L CA 0.588 55.460 54.840 0.053 0.000 0.752 467 L CB -0.212 41.854 42.059 0.010 0.000 0.906 467 L HN 0.050 nan 8.230 nan 0.000 0.436 468 V N -1.002 118.981 119.914 0.115 0.000 2.427 468 V HA -0.252 3.868 4.120 0.000 0.000 0.248 468 V C 2.551 178.873 176.094 0.380 0.000 1.051 468 V CA 1.890 64.326 62.300 0.227 0.000 1.048 468 V CB -0.097 31.759 31.823 0.056 0.000 0.666 468 V HN 0.371 nan 8.190 nan 0.000 0.456 469 S N 0.382 116.227 115.700 0.241 0.000 2.355 469 S HA -0.166 4.304 4.470 0.000 0.000 0.222 469 S C 2.059 176.814 174.600 0.258 0.000 1.031 469 S CA 1.675 60.028 58.200 0.256 0.000 0.993 469 S CB -0.241 63.056 63.200 0.162 0.000 0.859 469 S HN 0.568 nan 8.310 nan 0.000 0.453 470 V N 1.149 121.171 119.914 0.180 0.000 2.295 470 V HA -0.076 4.044 4.120 0.000 0.000 0.246 470 V C 2.468 178.637 176.094 0.126 0.000 1.049 470 V CA 1.493 63.867 62.300 0.124 0.000 1.024 470 V CB -1.656 30.212 31.823 0.074 0.000 0.648 470 V HN 0.429 nan 8.190 nan 0.000 0.447 471 A N -0.087 122.844 122.820 0.186 0.000 1.933 471 A HA -0.221 4.099 4.320 0.000 0.000 0.218 471 A C 2.113 179.726 177.584 0.049 0.000 1.175 471 A CA 1.918 54.041 52.037 0.143 0.000 0.628 471 A CB -1.000 18.178 19.000 0.297 0.000 0.814 471 A HN 0.835 nan 8.150 nan 0.000 0.444 472 W N 0.613 121.932 121.300 0.030 0.000 2.409 472 W HA -0.081 4.579 4.660 0.000 0.000 0.299 472 W C 2.251 178.747 176.519 -0.039 0.000 1.203 472 W CA 1.631 58.927 57.345 -0.082 0.000 1.298 472 W CB -0.271 29.241 29.460 0.086 0.000 1.127 472 W HN 0.417 nan 8.180 nan 0.000 0.528 473 A N -0.070 122.843 122.820 0.156 0.000 2.019 473 A HA -0.205 4.115 4.320 0.000 0.000 0.219 473 A C 2.081 179.622 177.584 -0.071 0.000 1.164 473 A CA 2.113 54.193 52.037 0.072 0.000 0.644 473 A CB -1.024 18.045 19.000 0.116 0.000 0.805 473 A HN 0.290 nan 8.150 nan 0.000 0.449 474 S N -1.323 114.312 115.700 -0.109 0.000 2.406 474 S HA 0.213 4.683 4.470 0.000 0.000 0.224 474 S C 1.980 176.460 174.600 -0.201 0.000 1.030 474 S CA 1.125 59.245 58.200 -0.132 0.000 0.958 474 S CB -0.208 62.935 63.200 -0.095 0.000 0.811 474 S HN 0.732 nan 8.310 nan 0.000 0.489 475 A N 0.813 123.426 122.820 -0.345 0.000 1.997 475 A HA 0.165 4.485 4.320 0.000 0.000 0.212 475 A C 2.090 179.372 177.584 -0.502 0.000 1.178 475 A CA 1.139 52.916 52.037 -0.433 0.000 0.698 475 A CB -0.684 17.961 19.000 -0.592 0.000 0.842 475 A HN 0.644 nan 8.150 nan 0.000 0.458 476 S N 0.394 115.653 115.700 -0.735 0.000 2.603 476 S HA -0.102 4.368 4.470 0.000 0.000 0.229 476 S C 1.607 176.054 174.600 -0.256 0.000 0.972 476 S CA 1.488 59.207 58.200 -0.801 0.000 0.935 476 S CB -1.153 61.343 63.200 -1.172 0.000 0.769 476 S HN 0.694 nan 8.310 nan 0.000 0.536 477 T N -1.602 112.891 114.554 -0.102 0.000 3.072 477 T HA 0.152 4.502 4.350 0.000 0.000 0.266 477 T C 0.335 175.089 174.700 0.089 0.000 1.127 477 T CA -0.374 61.773 62.100 0.079 0.000 1.107 477 T CB -0.858 68.118 68.868 0.180 0.000 0.910 477 T HN 0.362 nan 8.240 nan 0.000 0.513 478 F N 3.447 123.342 119.950 -0.091 0.000 2.602 478 F HA 0.326 4.853 4.527 0.000 0.000 0.367 478 F C 0.561 176.351 175.800 -0.016 0.000 1.126 478 F CA -0.574 57.396 58.000 -0.050 0.000 1.321 478 F CB 0.475 39.407 39.000 -0.114 0.000 1.094 478 F HN -0.037 nan 8.300 nan 0.000 0.594 479 R N 4.689 124.756 120.500 -0.722 0.000 2.451 479 R HA 0.334 4.674 4.340 0.000 0.000 0.307 479 R C -0.062 175.761 176.300 -0.795 0.000 0.965 479 R CA -0.738 55.062 56.100 -0.499 0.000 0.865 479 R CB 1.291 31.426 30.300 -0.276 0.000 1.174 479 R HN 0.886 nan 8.270 nan 0.000 0.455 480 G N -0.007 108.611 108.800 -0.302 0.000 2.554 480 G HA2 0.308 4.268 3.960 0.000 0.000 0.238 480 G HA3 0.308 4.268 3.960 0.000 0.000 0.238 480 G C 1.030 175.879 174.900 -0.085 0.000 1.259 480 G CA 0.623 45.698 45.100 -0.042 0.000 0.843 480 G HN 0.771 nan 8.290 nan 0.000 0.582 481 G N 1.262 110.045 108.800 -0.028 0.000 2.212 481 G HA2 -0.329 3.631 3.960 0.000 0.000 0.266 481 G HA3 -0.329 3.631 3.960 0.000 0.000 0.266 481 G C 0.945 175.802 174.900 -0.071 0.000 0.978 481 G CA 1.449 46.527 45.100 -0.037 0.000 0.632 481 G HN 1.184 nan 8.290 nan 0.000 0.537 482 D N -1.200 119.127 120.400 -0.121 0.000 2.479 482 D HA 0.272 4.912 4.640 0.000 0.000 0.221 482 D C 1.278 177.506 176.300 -0.119 0.000 1.104 482 D CA 0.860 54.797 54.000 -0.105 0.000 0.849 482 D CB -0.068 40.676 40.800 -0.093 0.000 1.072 482 D HN 0.181 nan 8.370 nan 0.000 0.502 483 K N -0.346 119.920 120.400 -0.224 0.000 3.470 483 K HA -0.119 4.201 4.320 0.000 0.000 0.305 483 K C -0.417 176.156 176.600 -0.045 0.000 1.363 483 K CA 0.501 56.718 56.287 -0.117 0.000 0.927 483 K CB -1.663 30.836 32.500 -0.002 0.000 1.355 483 K HN 0.363 nan 8.250 nan 0.000 0.466 484 R N 0.083 120.482 120.500 -0.168 0.000 2.560 484 R HA 0.586 4.926 4.340 0.000 0.000 0.270 484 R C 0.948 177.242 176.300 -0.010 0.000 1.074 484 R CA 0.180 56.258 56.100 -0.036 0.000 1.140 484 R CB 0.781 31.020 30.300 -0.102 0.000 1.073 484 R HN 0.350 nan 8.270 nan 0.000 0.527 485 G N -0.556 108.364 108.800 0.200 0.000 2.685 485 G HA2 0.244 4.204 3.960 0.000 0.000 0.387 485 G HA3 0.244 4.204 3.960 0.000 0.000 0.387 485 G C -0.140 174.933 174.900 0.288 0.000 1.324 485 G CA -0.477 44.778 45.100 0.257 0.000 0.878 485 G HN 1.126 nan 8.290 nan 0.000 0.527 486 G N -2.627 106.282 108.800 0.180 0.000 2.555 486 G HA2 0.511 4.471 3.960 0.000 0.000 0.686 486 G HA3 0.511 4.471 3.960 0.000 0.000 0.686 486 G C 0.881 175.763 174.900 -0.029 0.000 1.275 486 G CA 0.865 46.006 45.100 0.068 0.000 0.871 486 G HN 2.424 nan 8.290 nan 0.000 0.603 487 A N -0.106 122.644 122.820 -0.116 0.000 2.067 487 A HA 0.258 4.578 4.320 0.000 0.000 0.217 487 A C 1.305 178.846 177.584 -0.071 0.000 1.156 487 A CA 1.626 53.594 52.037 -0.115 0.000 0.683 487 A CB -0.312 18.600 19.000 -0.147 0.000 0.808 487 A HN 1.138 nan 8.150 nan 0.000 0.455 488 N N 0.001 118.665 118.700 -0.060 0.000 2.454 488 N HA 0.324 5.064 4.740 0.000 0.000 0.260 488 N C 1.039 176.545 175.510 -0.007 0.000 1.218 488 N CA 1.489 54.520 53.050 -0.031 0.000 0.904 488 N CB 0.471 38.941 38.487 -0.028 0.000 1.065 488 N HN 0.619 nan 8.380 nan 0.000 0.462 489 G N 2.178 110.972 108.800 -0.009 0.000 2.176 489 G HA2 -0.139 3.821 3.960 0.000 0.000 0.232 489 G HA3 -0.139 3.821 3.960 0.000 0.000 0.232 489 G C 0.407 175.277 174.900 -0.050 0.000 0.986 489 G CA 0.319 45.410 45.100 -0.016 0.000 0.643 489 G HN 1.568 nan 8.290 nan 0.000 0.522 490 A N -0.722 122.066 122.820 -0.053 0.000 2.311 490 A HA -0.246 4.074 4.320 0.000 0.000 0.284 490 A C 1.595 179.103 177.584 -0.127 0.000 1.409 490 A CA 2.197 54.190 52.037 -0.073 0.000 0.764 490 A CB -1.247 17.729 19.000 -0.041 0.000 1.095 490 A HN 0.950 nan 8.150 nan 0.000 0.369 491 R N -0.796 119.593 120.500 -0.185 0.000 2.240 491 R HA 0.050 4.390 4.340 0.000 0.000 0.203 491 R C 2.009 178.106 176.300 -0.338 0.000 1.011 491 R CA 0.920 56.837 56.100 -0.304 0.000 1.007 491 R CB -0.175 29.839 30.300 -0.477 0.000 0.911 491 R HN 0.693 nan 8.270 nan 0.000 0.468 492 L N 0.868 121.930 121.223 -0.268 0.000 2.189 492 L HA -0.140 4.200 4.340 0.000 0.000 0.214 492 L C 1.982 178.725 176.870 -0.211 0.000 1.097 492 L CA 1.744 56.429 54.840 -0.258 0.000 0.764 492 L CB -0.262 41.700 42.059 -0.162 0.000 0.900 492 L HN 0.080 nan 8.230 nan 0.000 0.436 493 A N -1.281 121.439 122.820 -0.166 0.000 2.169 493 A HA 0.198 4.518 4.320 0.000 0.000 0.212 493 A C 1.167 178.667 177.584 -0.140 0.000 1.153 493 A CA 0.285 52.248 52.037 -0.123 0.000 0.756 493 A CB -0.332 18.619 19.000 -0.082 0.000 0.813 493 A HN 0.371 nan 8.150 nan 0.000 0.471 494 L N -0.612 120.491 121.223 -0.199 0.000 2.376 494 L HA 0.427 4.767 4.340 0.000 0.000 0.267 494 L C 0.008 176.740 176.870 -0.230 0.000 1.035 494 L CA -1.067 53.656 54.840 -0.195 0.000 0.800 494 L CB 0.640 42.564 42.059 -0.224 0.000 1.290 494 L HN 0.177 nan 8.230 nan 0.000 0.462 495 M N 2.108 121.604 119.600 -0.174 0.000 2.235 495 M HA 0.217 4.697 4.480 0.000 0.000 0.351 495 M C -1.766 174.420 176.300 -0.191 0.000 1.178 495 M CA -2.479 52.727 55.300 -0.156 0.000 1.143 495 M CB 0.434 32.994 32.600 -0.067 0.000 1.530 495 M HN 0.210 nan 8.290 nan 0.000 0.461 496 P HA 0.128 nan 4.420 nan 0.000 0.267 496 P C 0.671 177.606 177.300 -0.608 0.000 1.289 496 P CA 0.393 63.383 63.100 -0.183 0.000 0.866 496 P CB 0.371 32.130 31.700 0.099 0.000 1.309 497 Q N 0.154 119.414 119.800 -0.899 0.000 2.181 497 Q HA -0.109 4.231 4.340 0.000 0.000 0.205 497 Q C 2.368 177.940 176.000 -0.712 0.000 0.980 497 Q CA 1.211 56.189 55.803 -1.376 0.000 0.862 497 Q CB -0.266 27.814 28.738 -1.097 0.000 0.905 497 Q HN 0.168 nan 8.270 nan 0.000 0.429 498 R N 0.368 120.626 120.500 -0.404 0.000 2.139 498 R HA -0.150 4.190 4.340 0.000 0.000 0.243 498 R C 0.279 176.511 176.300 -0.113 0.000 1.145 498 R CA 1.339 57.316 56.100 -0.206 0.000 0.976 498 R CB 0.179 30.395 30.300 -0.141 0.000 0.866 498 R HN 0.243 nan 8.270 nan 0.000 0.449 499 D N -1.631 118.709 120.400 -0.099 0.000 2.462 499 D HA 0.018 4.658 4.640 0.000 0.000 0.221 499 D C -0.604 175.811 176.300 0.190 0.000 1.173 499 D CA -0.065 53.959 54.000 0.040 0.000 0.831 499 D CB 0.012 40.839 40.800 0.045 0.000 1.001 499 D HN 0.046 nan 8.370 nan 0.000 0.499 500 W N 2.105 123.403 121.300 -0.003 0.000 2.251 500 W HA 0.061 4.721 4.660 0.000 0.000 0.327 500 W C 1.320 177.825 176.519 -0.023 0.000 1.361 500 W CA -0.850 56.486 57.345 -0.015 0.000 1.234 500 W CB 0.304 29.741 29.460 -0.039 0.000 1.212 500 W HN -0.061 nan 8.180 nan 0.000 0.557 501 D N 1.890 122.402 120.400 0.188 0.000 2.157 501 D HA -0.191 4.449 4.640 0.000 0.000 0.191 501 D C 2.017 178.345 176.300 0.046 0.000 1.004 501 D CA 1.618 55.700 54.000 0.135 0.000 0.854 501 D CB -0.442 40.461 40.800 0.172 0.000 0.936 501 D HN 0.156 nan 8.370 nan 0.000 0.446 502 V N 0.928 120.659 119.914 -0.304 0.000 3.241 502 V HA -0.118 4.002 4.120 0.000 0.000 0.269 502 V C 1.423 177.519 176.094 0.004 0.000 1.151 502 V CA 1.124 63.072 62.300 -0.588 0.000 1.158 502 V CB -0.346 30.773 31.823 -1.173 0.000 0.764 502 V HN 0.167 nan 8.190 nan 0.000 0.508 503 N N -0.003 118.764 118.700 0.112 0.000 2.348 503 N HA 0.176 4.916 4.740 0.000 0.000 0.183 503 N C 1.639 177.222 175.510 0.122 0.000 1.094 503 N CA 0.842 53.975 53.050 0.139 0.000 0.885 503 N CB 0.208 38.773 38.487 0.129 0.000 1.065 503 N HN 0.371 nan 8.380 nan 0.000 0.472 504 A N -0.000 122.899 122.820 0.132 0.000 2.264 504 A HA 0.302 4.622 4.320 0.000 0.000 0.207 504 A C 1.516 179.143 177.584 0.072 0.000 1.196 504 A CA 1.234 53.329 52.037 0.097 0.000 0.778 504 A CB -0.317 18.747 19.000 0.107 0.000 0.779 504 A HN 0.224 nan 8.150 nan 0.000 0.483 505 A N -2.026 120.840 122.820 0.077 0.000 2.456 505 A HA 0.635 4.956 4.320 0.000 0.000 0.237 505 A C 1.859 179.479 177.584 0.060 0.000 1.217 505 A CA 0.926 52.992 52.037 0.049 0.000 0.962 505 A CB -0.228 18.784 19.000 0.019 0.000 1.079 505 A HN 0.737 nan 8.150 nan 0.000 0.536 506 A N 0.183 123.052 122.820 0.083 0.000 1.898 506 A HA 0.132 4.452 4.320 0.000 0.000 0.214 506 A C 1.779 179.393 177.584 0.049 0.000 1.183 506 A CA 1.694 53.780 52.037 0.082 0.000 0.622 506 A CB -0.717 18.349 19.000 0.109 0.000 0.824 506 A HN 0.720 nan 8.150 nan 0.000 0.444 507 V N -0.977 118.960 119.914 0.037 0.000 3.510 507 V HA -0.023 4.097 4.120 0.000 0.000 0.270 507 V C 2.096 178.197 176.094 0.012 0.000 1.201 507 V CA 1.157 63.465 62.300 0.014 0.000 1.166 507 V CB -1.123 30.700 31.823 0.000 0.000 0.825 507 V HN 0.469 nan 8.190 nan 0.000 0.484 508 R N 0.861 121.373 120.500 0.020 0.000 2.127 508 R HA -0.124 4.216 4.340 0.000 0.000 0.238 508 R C 2.313 178.618 176.300 0.009 0.000 1.134 508 R CA 1.598 57.706 56.100 0.014 0.000 0.975 508 R CB -0.302 30.007 30.300 0.015 0.000 0.865 508 R HN 0.582 nan 8.270 nan 0.000 0.447 509 A N 0.522 123.351 122.820 0.014 0.000 1.970 509 A HA -0.028 4.292 4.320 0.000 0.000 0.216 509 A C 2.049 179.634 177.584 0.003 0.000 1.170 509 A CA 0.472 52.515 52.037 0.010 0.000 0.645 509 A CB -0.257 18.755 19.000 0.020 0.000 0.816 509 A HN 0.199 nan 8.150 nan 0.000 0.447 510 L N -0.276 120.947 121.223 0.000 0.000 1.997 510 L HA -0.195 4.145 4.340 0.000 0.000 0.216 510 L C -0.407 176.457 176.870 -0.009 0.000 1.074 510 L CA 2.104 56.939 54.840 -0.008 0.000 0.763 510 L CB -1.659 40.390 42.059 -0.018 0.000 0.890 510 L HN 0.244 nan 8.230 nan 0.000 0.434 511 P HA -0.136 nan 4.420 nan 0.000 0.218 511 P C 1.865 179.162 177.300 -0.006 0.000 1.148 511 P CA 1.119 64.215 63.100 -0.006 0.000 0.822 511 P CB 0.028 31.726 31.700 -0.004 0.000 0.784 512 V N -1.066 118.845 119.914 -0.006 0.000 2.515 512 V HA -0.170 3.950 4.120 0.000 0.000 0.250 512 V C 2.247 178.335 176.094 -0.010 0.000 1.058 512 V CA 1.576 63.871 62.300 -0.008 0.000 1.064 512 V CB -0.993 30.824 31.823 -0.009 0.000 0.675 512 V HN 0.089 nan 8.190 nan 0.000 0.461 513 L N -0.956 120.261 121.223 -0.011 0.000 2.416 513 L HA 0.057 4.397 4.340 0.000 0.000 0.216 513 L C 2.366 179.227 176.870 -0.015 0.000 1.098 513 L CA 0.722 55.554 54.840 -0.014 0.000 0.840 513 L CB -0.301 41.750 42.059 -0.013 0.000 0.981 513 L HN 0.282 nan 8.230 nan 0.000 0.462 514 E N 0.141 120.335 120.200 -0.011 0.000 2.072 514 E HA -0.170 4.180 4.350 0.000 0.000 0.190 514 E C 2.028 178.624 176.600 -0.006 0.000 0.982 514 E CA 0.623 57.018 56.400 -0.008 0.000 0.803 514 E CB 0.179 29.875 29.700 -0.007 0.000 0.755 514 E HN 0.206 nan 8.360 nan 0.000 0.453 515 K N 0.734 121.130 120.400 -0.006 0.000 2.063 515 K HA -0.145 4.175 4.320 0.000 0.000 0.208 515 K C 2.076 178.672 176.600 -0.008 0.000 1.048 515 K CA 0.997 57.282 56.287 -0.005 0.000 0.928 515 K CB -0.193 32.305 32.500 -0.004 0.000 0.713 515 K HN 0.174 nan 8.250 nan 0.000 0.442 516 I N 0.856 121.418 120.570 -0.012 0.000 2.394 516 I HA -0.242 3.928 4.170 0.000 0.000 0.251 516 I C 2.743 178.842 176.117 -0.030 0.000 1.136 516 I CA 0.854 62.144 61.300 -0.016 0.000 1.425 516 I CB -0.079 37.910 38.000 -0.018 0.000 1.079 516 I HN 0.237 nan 8.210 nan 0.000 0.425 517 Q N 1.286 121.067 119.800 -0.032 0.000 2.137 517 Q HA -0.194 4.146 4.340 0.000 0.000 0.198 517 Q C 2.056 178.029 176.000 -0.044 0.000 0.960 517 Q CA 1.473 57.244 55.803 -0.054 0.000 0.847 517 Q CB 0.110 28.826 28.738 -0.036 0.000 0.915 517 Q HN 0.387 nan 8.270 nan 0.000 0.448 518 K N 0.223 120.616 120.400 -0.013 0.000 2.155 518 K HA -0.080 4.240 4.320 0.000 0.000 0.203 518 K C 1.783 178.381 176.600 -0.003 0.000 1.052 518 K CA 1.135 57.425 56.287 0.004 0.000 0.948 518 K CB 0.221 32.728 32.500 0.011 0.000 0.728 518 K HN 0.222 nan 8.250 nan 0.000 0.448 519 E N -0.614 119.579 120.200 -0.011 0.000 2.216 519 E HA -0.100 4.250 4.350 0.000 0.000 0.192 519 E C 1.791 178.380 176.600 -0.019 0.000 0.988 519 E CA 0.740 57.135 56.400 -0.009 0.000 0.834 519 E CB 0.238 29.936 29.700 -0.004 0.000 0.772 519 E HN 0.150 nan 8.360 nan 0.000 0.479 520 S N -0.361 115.315 115.700 -0.040 0.000 2.404 520 S HA 0.016 4.486 4.470 0.000 0.000 0.223 520 S C 1.714 176.268 174.600 -0.077 0.000 1.040 520 S CA 0.998 59.163 58.200 -0.059 0.000 0.957 520 S CB -0.233 62.919 63.200 -0.080 0.000 0.826 520 S HN 0.368 nan 8.310 nan 0.000 0.491 521 G N 1.725 110.459 108.800 -0.110 0.000 2.337 521 G HA2 -0.269 3.691 3.960 0.000 0.000 0.290 521 G HA3 -0.269 3.691 3.960 0.000 0.000 0.290 521 G C 0.695 175.446 174.900 -0.248 0.000 1.003 521 G CA 1.030 46.048 45.100 -0.137 0.000 0.825 521 G HN 0.493 nan 8.290 nan 0.000 0.509 522 K N -0.718 119.495 120.400 -0.311 0.000 2.354 522 K HA 0.626 4.946 4.320 0.000 0.000 0.194 522 K C 1.056 177.423 176.600 -0.388 0.000 1.038 522 K CA 1.011 57.151 56.287 -0.246 0.000 1.052 522 K CB 0.640 33.074 32.500 -0.110 0.000 0.861 522 K HN 1.053 nan 8.250 nan 0.000 0.535 523 A N 0.484 122.907 122.820 -0.662 0.000 2.587 523 A HA 0.554 4.874 4.320 0.000 0.000 0.293 523 A C -0.472 176.799 177.584 -0.522 0.000 1.087 523 A CA -0.596 51.167 52.037 -0.457 0.000 0.692 523 A CB 0.964 19.887 19.000 -0.129 0.000 1.291 523 A HN 0.087 nan 8.150 nan 0.000 0.407 524 S N 0.125 115.827 115.700 0.003 0.000 2.584 524 S HA 0.262 4.732 4.470 0.000 0.000 0.270 524 S C 1.058 175.696 174.600 0.063 0.000 1.346 524 S CA 0.197 58.514 58.200 0.195 0.000 1.018 524 S CB 0.480 63.814 63.200 0.224 0.000 0.899 524 S HN 1.687 nan 8.310 nan 0.000 0.542 525 L N 1.990 123.260 121.223 0.077 0.000 2.131 525 L HA 0.049 4.389 4.340 0.000 0.000 0.210 525 L C 2.494 179.380 176.870 0.027 0.000 1.092 525 L CA 2.275 57.133 54.840 0.030 0.000 0.759 525 L CB -1.593 40.480 42.059 0.023 0.000 0.903 525 L HN 0.940 nan 8.230 nan 0.000 0.435 526 A N -0.921 121.924 122.820 0.042 0.000 1.873 526 A HA -0.201 4.119 4.320 0.000 0.000 0.215 526 A C 2.070 179.691 177.584 0.061 0.000 1.186 526 A CA 1.783 53.838 52.037 0.030 0.000 0.616 526 A CB -0.806 18.207 19.000 0.022 0.000 0.823 526 A HN 0.491 nan 8.150 nan 0.000 0.442 527 D N -0.266 120.196 120.400 0.103 0.000 2.144 527 D HA -0.081 4.559 4.640 0.000 0.000 0.199 527 D C 1.768 178.165 176.300 0.161 0.000 0.984 527 D CA 0.975 55.104 54.000 0.214 0.000 0.834 527 D CB -0.216 40.735 40.800 0.251 0.000 0.955 527 D HN 0.486 nan 8.370 nan 0.000 0.465 528 I N 0.487 121.087 120.570 0.051 0.000 2.546 528 I HA -0.155 4.015 4.170 0.000 0.000 0.255 528 I C 2.266 178.373 176.117 -0.017 0.000 1.163 528 I CA 0.342 61.630 61.300 -0.021 0.000 1.457 528 I CB 0.154 38.135 38.000 -0.033 0.000 1.092 528 I HN -0.032 nan 8.210 nan 0.000 0.434 529 I N -0.339 120.238 120.570 0.013 0.000 2.226 529 I HA -0.252 3.918 4.170 0.000 0.000 0.245 529 I C 2.388 178.531 176.117 0.043 0.000 1.100 529 I CA 1.191 62.502 61.300 0.018 0.000 1.374 529 I CB -0.226 37.778 38.000 0.008 0.000 1.057 529 I HN 0.020 nan 8.210 nan 0.000 0.413 530 V N 0.446 120.403 119.914 0.072 0.000 2.453 530 V HA -0.231 3.889 4.120 0.000 0.000 0.247 530 V C 2.340 178.483 176.094 0.082 0.000 1.048 530 V CA 1.138 63.514 62.300 0.126 0.000 1.049 530 V CB -0.386 31.564 31.823 0.212 0.000 0.672 530 V HN 0.308 nan 8.190 nan 0.000 0.457 531 L N 0.919 122.071 121.223 -0.118 0.000 2.042 531 L HA -0.150 4.190 4.340 0.000 0.000 0.210 531 L C 2.539 179.313 176.870 -0.159 0.000 1.076 531 L CA 2.299 56.883 54.840 -0.426 0.000 0.749 531 L CB -0.983 40.734 42.059 -0.570 0.000 0.893 531 L HN 0.259 nan 8.230 nan 0.000 0.432 532 A N -0.559 122.222 122.820 -0.065 0.000 1.884 532 A HA -0.237 4.083 4.320 0.000 0.000 0.219 532 A C 2.367 179.978 177.584 0.046 0.000 1.197 532 A CA 2.065 54.094 52.037 -0.013 0.000 0.637 532 A CB -1.717 17.294 19.000 0.018 0.000 0.827 532 A HN 0.526 nan 8.150 nan 0.000 0.450 533 G N -1.174 107.714 108.800 0.147 0.000 2.462 533 G HA2 -0.059 3.901 3.960 0.000 0.000 0.220 533 G HA3 -0.059 3.901 3.960 0.000 0.000 0.220 533 G C 1.401 176.441 174.900 0.233 0.000 1.121 533 G CA 1.231 46.524 45.100 0.322 0.000 0.758 533 G HN 0.381 nan 8.290 nan 0.000 0.559 534 V N 0.599 120.588 119.914 0.125 0.000 2.488 534 V HA -0.113 4.007 4.120 0.000 0.000 0.246 534 V C 2.962 179.025 176.094 -0.052 0.000 1.046 534 V CA 1.478 63.802 62.300 0.041 0.000 1.053 534 V CB 0.273 32.074 31.823 -0.036 0.000 0.679 534 V HN 0.378 nan 8.190 nan 0.000 0.458 535 V N 0.657 120.531 119.914 -0.068 0.000 2.379 535 V HA 0.022 4.142 4.120 0.000 0.000 0.245 535 V C 2.312 178.360 176.094 -0.077 0.000 1.044 535 V CA 2.246 64.500 62.300 -0.077 0.000 1.036 535 V CB -1.151 30.622 31.823 -0.082 0.000 0.664 535 V HN 0.395 nan 8.190 nan 0.000 0.453 536 G N 0.617 109.380 108.800 -0.062 0.000 2.631 536 G HA2 -0.281 3.679 3.960 0.000 0.000 0.219 536 G HA3 -0.281 3.679 3.960 0.000 0.000 0.219 536 G C 1.616 176.432 174.900 -0.140 0.000 1.214 536 G CA 1.996 47.046 45.100 -0.084 0.000 0.785 536 G HN 0.543 nan 8.290 nan 0.000 0.596 537 V N 0.581 120.379 119.914 -0.195 0.000 2.515 537 V HA -0.122 3.998 4.120 0.000 0.000 0.250 537 V C 2.634 178.625 176.094 -0.172 0.000 1.058 537 V CA 2.158 64.299 62.300 -0.266 0.000 1.064 537 V CB -0.422 31.159 31.823 -0.404 0.000 0.675 537 V HN 0.479 nan 8.190 nan 0.000 0.461 538 E N -0.182 119.943 120.200 -0.125 0.000 2.072 538 E HA -0.204 4.146 4.350 0.000 0.000 0.191 538 E C 2.327 178.878 176.600 -0.082 0.000 0.985 538 E CA 0.957 57.303 56.400 -0.090 0.000 0.801 538 E CB -0.084 29.571 29.700 -0.075 0.000 0.750 538 E HN 0.497 nan 8.360 nan 0.000 0.452 539 K N 0.399 120.747 120.400 -0.088 0.000 2.001 539 K HA -0.203 4.117 4.320 0.000 0.000 0.214 539 K C 2.184 178.733 176.600 -0.085 0.000 1.050 539 K CA 1.349 57.588 56.287 -0.080 0.000 0.934 539 K CB -0.199 32.252 32.500 -0.082 0.000 0.718 539 K HN 0.052 nan 8.250 nan 0.000 0.443 540 A N 0.996 123.749 122.820 -0.112 0.000 1.908 540 A HA -0.158 4.162 4.320 0.000 0.000 0.218 540 A C 2.282 179.801 177.584 -0.108 0.000 1.181 540 A CA 2.042 54.005 52.037 -0.123 0.000 0.627 540 A CB -0.675 18.216 19.000 -0.182 0.000 0.818 540 A HN 0.447 nan 8.150 nan 0.000 0.445 541 A N -0.809 121.944 122.820 -0.112 0.000 1.877 541 A HA -0.108 4.212 4.320 0.000 0.000 0.216 541 A C 2.514 180.067 177.584 -0.052 0.000 1.186 541 A CA 2.249 54.239 52.037 -0.077 0.000 0.620 541 A CB -1.082 17.876 19.000 -0.069 0.000 0.822 541 A HN 0.603 nan 8.150 nan 0.000 0.443 542 S N -0.239 115.431 115.700 -0.050 0.000 2.348 542 S HA -0.075 4.395 4.470 0.000 0.000 0.221 542 S C 2.194 176.769 174.600 -0.042 0.000 1.033 542 S CA 1.708 59.885 58.200 -0.038 0.000 1.010 542 S CB -0.595 62.585 63.200 -0.034 0.000 0.891 542 S HN 0.940 nan 8.310 nan 0.000 0.442 543 A N 0.808 123.599 122.820 -0.048 0.000 2.084 543 A HA 0.147 4.467 4.320 0.000 0.000 0.221 543 A C 2.072 179.630 177.584 -0.044 0.000 1.161 543 A CA 1.767 53.777 52.037 -0.045 0.000 0.653 543 A CB -0.944 18.027 19.000 -0.049 0.000 0.802 543 A HN 0.837 nan 8.150 nan 0.000 0.457 544 A N -1.909 120.882 122.820 -0.048 0.000 2.337 544 A HA 0.447 4.767 4.320 0.000 0.000 0.227 544 A C 1.681 179.218 177.584 -0.079 0.000 1.259 544 A CA 0.998 53.003 52.037 -0.054 0.000 0.870 544 A CB -0.959 18.021 19.000 -0.033 0.000 0.927 544 A HN 1.847 nan 8.150 nan 0.000 0.497 545 G N -1.276 107.488 108.800 -0.060 0.000 2.162 545 G HA2 -0.186 3.774 3.960 0.000 0.000 0.260 545 G HA3 -0.186 3.774 3.960 0.000 0.000 0.260 545 G C 0.060 174.929 174.900 -0.050 0.000 0.976 545 G CA 0.337 45.402 45.100 -0.058 0.000 0.655 545 G HN 0.499 nan 8.290 nan 0.000 0.533 546 L N 2.712 123.910 121.223 -0.041 0.000 2.387 546 L HA 0.392 4.732 4.340 0.000 0.000 0.259 546 L C 1.156 178.020 176.870 -0.010 0.000 1.050 546 L CA 0.185 55.013 54.840 -0.019 0.000 0.922 546 L CB 0.975 43.031 42.059 -0.005 0.000 1.280 546 L HN 0.479 nan 8.230 nan 0.000 0.449 547 S N 4.011 119.709 115.700 -0.003 0.000 2.611 547 S HA 0.228 4.698 4.470 0.000 0.000 0.317 547 S C -0.230 174.385 174.600 0.025 0.000 1.208 547 S CA -0.396 57.810 58.200 0.009 0.000 1.217 547 S CB -0.675 62.533 63.200 0.014 0.000 1.085 547 S HN 0.430 nan 8.310 nan 0.000 0.529 548 I N -0.203 120.382 120.570 0.025 0.000 2.608 548 I HA 0.530 4.700 4.170 0.000 0.000 0.295 548 I C -0.182 175.979 176.117 0.074 0.000 1.049 548 I CA -1.465 59.867 61.300 0.053 0.000 1.063 548 I CB 1.088 39.111 38.000 0.038 0.000 1.248 548 I HN 0.574 nan 8.210 nan 0.000 0.424 549 H N 3.950 123.032 119.070 0.020 0.000 2.964 549 H HA 0.479 5.035 4.556 0.000 0.000 0.328 549 H C -1.004 174.349 175.328 0.042 0.000 1.030 549 H CA 0.251 56.318 56.048 0.031 0.000 1.445 549 H CB 0.876 30.659 29.762 0.034 0.000 1.449 549 H HN 0.500 nan 8.280 nan 0.000 0.581 550 V N 8.800 128.424 119.914 -0.482 0.000 2.293 550 V HA 0.241 4.361 4.120 0.000 0.000 0.275 550 V C -2.104 173.765 176.094 -0.374 0.000 1.021 550 V CA -1.837 60.297 62.300 -0.277 0.000 0.815 550 V CB 0.863 32.616 31.823 -0.117 0.000 1.025 550 V HN 0.844 nan 8.190 nan 0.000 0.448 551 P HA 0.085 nan 4.420 nan 0.000 0.262 551 P C -0.897 176.480 177.300 0.128 0.000 1.182 551 P CA 0.295 63.411 63.100 0.027 0.000 0.761 551 P CB 0.176 31.943 31.700 0.113 0.000 0.795 552 F N 3.177 123.125 119.950 -0.003 0.000 2.532 552 F HA 0.678 5.205 4.527 0.000 0.000 0.321 552 F C -1.047 174.761 175.800 0.013 0.000 1.089 552 F CA -1.227 56.774 58.000 0.001 0.000 0.926 552 F CB 1.570 40.570 39.000 -0.001 0.000 1.168 552 F HN 0.321 nan 8.300 nan 0.000 0.459 553 A N 7.697 129.918 122.820 -0.997 0.000 2.360 553 A HA 0.627 4.947 4.320 0.000 0.000 0.309 553 A C -2.786 174.168 177.584 -1.050 0.000 1.311 553 A CA -1.662 49.921 52.037 -0.757 0.000 0.805 553 A CB -0.075 18.687 19.000 -0.397 0.000 1.144 553 A HN 0.495 nan 8.150 nan 0.000 0.486 554 P HA 0.352 nan 4.420 nan 0.000 0.270 554 P C 0.837 178.009 177.300 -0.214 0.000 1.223 554 P CA 1.153 64.022 63.100 -0.384 0.000 0.785 554 P CB 1.118 32.763 31.700 -0.091 0.000 0.923 555 G N 0.488 109.234 108.800 -0.089 0.000 2.935 555 G HA2 -0.117 3.843 3.960 0.000 0.000 0.213 555 G HA3 -0.117 3.843 3.960 0.000 0.000 0.213 555 G C 0.222 175.113 174.900 -0.015 0.000 0.984 555 G CA -0.557 44.517 45.100 -0.043 0.000 0.790 555 G HN 0.483 nan 8.290 nan 0.000 0.538 556 R N 0.543 121.034 120.500 -0.015 0.000 2.694 556 R HA 0.490 4.830 4.340 0.000 0.000 0.268 556 R C 0.644 176.968 176.300 0.041 0.000 1.061 556 R CA 0.592 56.692 56.100 0.000 0.000 1.133 556 R CB 1.177 31.476 30.300 -0.000 0.000 1.020 556 R HN 0.488 nan 8.270 nan 0.000 0.475 557 V N -1.702 118.230 119.914 0.031 0.000 3.019 557 V HA 0.428 4.548 4.120 0.000 0.000 0.317 557 V C -0.763 175.351 176.094 0.033 0.000 1.094 557 V CA -1.218 61.108 62.300 0.043 0.000 1.000 557 V CB 2.257 34.089 31.823 0.015 0.000 1.060 557 V HN 0.580 nan 8.190 nan 0.000 0.443 558 D N 2.062 122.485 120.400 0.038 0.000 2.274 558 D HA 0.610 5.250 4.640 0.000 0.000 0.239 558 D C 0.314 176.611 176.300 -0.004 0.000 1.104 558 D CA 0.157 54.168 54.000 0.018 0.000 0.840 558 D CB 1.677 42.500 40.800 0.039 0.000 1.100 558 D HN 1.032 nan 8.370 nan 0.000 0.477 559 A N 3.229 126.038 122.820 -0.018 0.000 2.332 559 A HA 0.381 4.702 4.320 0.000 0.000 0.258 559 A C 0.590 178.156 177.584 -0.029 0.000 1.087 559 A CA -0.420 51.605 52.037 -0.020 0.000 0.802 559 A CB 0.551 19.540 19.000 -0.019 0.000 1.042 559 A HN 0.484 nan 8.150 nan 0.000 0.489 560 R N -0.500 119.988 120.500 -0.019 0.000 2.500 560 R HA 0.211 4.551 4.340 0.000 0.000 0.275 560 R C 0.994 177.281 176.300 -0.021 0.000 1.051 560 R CA -0.478 55.611 56.100 -0.019 0.000 1.088 560 R CB 0.619 30.913 30.300 -0.011 0.000 1.063 560 R HN 0.852 nan 8.270 nan 0.000 0.511 561 Q N 1.234 121.019 119.800 -0.024 0.000 2.181 561 Q HA -0.187 4.153 4.340 0.000 0.000 0.205 561 Q C 0.524 176.530 176.000 0.010 0.000 0.980 561 Q CA 2.065 57.854 55.803 -0.024 0.000 0.862 561 Q CB -0.037 28.687 28.738 -0.023 0.000 0.905 561 Q HN 0.663 nan 8.270 nan 0.000 0.429 562 D N -1.405 119.005 120.400 0.017 0.000 2.325 562 D HA -0.074 4.566 4.640 0.000 0.000 0.225 562 D C 0.332 176.661 176.300 0.049 0.000 1.096 562 D CA 0.194 54.215 54.000 0.036 0.000 0.844 562 D CB -0.187 40.627 40.800 0.023 0.000 0.925 562 D HN 0.563 nan 8.370 nan 0.000 0.513 563 Q N -1.103 118.728 119.800 0.051 0.000 2.149 563 Q HA 0.193 4.533 4.340 0.000 0.000 0.221 563 Q C -0.380 175.713 176.000 0.155 0.000 0.807 563 Q CA -0.227 55.623 55.803 0.078 0.000 1.000 563 Q CB 0.436 29.198 28.738 0.040 0.000 1.157 563 Q HN -0.054 nan 8.270 nan 0.000 0.487 564 T N 2.084 116.718 114.554 0.134 0.000 3.254 564 T HA 0.093 4.443 4.350 0.000 0.000 0.385 564 T C -0.736 174.126 174.700 0.270 0.000 1.528 564 T CA -0.529 61.672 62.100 0.169 0.000 1.212 564 T CB 0.515 69.318 68.868 -0.109 0.000 1.145 564 T HN 0.162 nan 8.240 nan 0.000 0.631 565 D N 2.339 123.012 120.400 0.455 0.000 2.450 565 D HA 0.047 4.687 4.640 0.000 0.000 0.247 565 D C 0.957 177.441 176.300 0.306 0.000 1.162 565 D CA -0.119 54.095 54.000 0.358 0.000 0.879 565 D CB 0.805 41.875 40.800 0.450 0.000 1.163 565 D HN 0.291 nan 8.370 nan 0.000 0.472 566 I N 3.718 124.396 120.570 0.181 0.000 2.252 566 I HA -0.229 3.941 4.170 0.000 0.000 0.245 566 I C 2.431 178.637 176.117 0.148 0.000 1.102 566 I CA 1.115 62.507 61.300 0.153 0.000 1.385 566 I CB -0.164 37.892 38.000 0.092 0.000 1.064 566 I HN 0.630 nan 8.210 nan 0.000 0.414 567 E N 0.391 120.633 120.200 0.070 0.000 2.072 567 E HA -0.214 4.136 4.350 0.000 0.000 0.190 567 E C 2.159 178.708 176.600 -0.085 0.000 0.982 567 E CA 1.074 57.475 56.400 0.002 0.000 0.803 567 E CB -0.099 29.581 29.700 -0.034 0.000 0.755 567 E HN 0.231 nan 8.360 nan 0.000 0.453 568 M N -0.228 119.246 119.600 -0.211 0.000 2.394 568 M HA 0.007 4.487 4.480 0.000 0.000 0.264 568 M C 1.222 177.315 176.300 -0.347 0.000 1.073 568 M CA 0.989 55.991 55.300 -0.496 0.000 1.111 568 M CB -0.470 31.456 32.600 -1.124 0.000 1.401 568 M HN 0.187 nan 8.290 nan 0.000 0.448 569 F N 0.590 120.519 119.950 -0.035 0.000 2.569 569 F HA 0.006 4.533 4.527 0.000 0.000 0.295 569 F C 2.201 178.153 175.800 0.253 0.000 1.115 569 F CA 0.579 58.642 58.000 0.106 0.000 1.450 569 F CB -0.025 39.037 39.000 0.104 0.000 1.107 569 F HN 0.138 nan 8.300 nan 0.000 0.563 570 E N 0.470 120.852 120.200 0.304 0.000 2.150 570 E HA -0.156 4.194 4.350 0.000 0.000 0.193 570 E C 2.382 179.008 176.600 0.044 0.000 0.985 570 E CA 0.771 57.309 56.400 0.230 0.000 0.814 570 E CB -0.491 29.288 29.700 0.132 0.000 0.752 570 E HN 0.430 nan 8.360 nan 0.000 0.466 571 L N 0.496 121.706 121.223 -0.022 0.000 2.129 571 L HA -0.210 4.130 4.340 0.000 0.000 0.212 571 L C 2.412 179.232 176.870 -0.083 0.000 1.087 571 L CA 0.935 55.720 54.840 -0.091 0.000 0.757 571 L CB -0.454 41.509 42.059 -0.160 0.000 0.896 571 L HN 0.155 nan 8.230 nan 0.000 0.434 572 L N -0.415 120.808 121.223 -0.000 0.000 2.341 572 L HA -0.023 4.317 4.340 0.000 0.000 0.214 572 L C 1.251 177.980 176.870 -0.236 0.000 1.115 572 L CA 0.216 55.072 54.840 0.027 0.000 0.820 572 L CB -0.502 41.751 42.059 0.322 0.000 0.944 572 L HN 0.335 nan 8.230 nan 0.000 0.452 573 E N 3.329 123.163 120.200 -0.611 0.000 2.694 573 E HA -0.039 4.311 4.350 0.000 0.000 0.250 573 E C -2.049 174.180 176.600 -0.619 0.000 0.963 573 E CA -1.197 54.372 56.400 -1.385 0.000 0.949 573 E CB 0.559 29.434 29.700 -1.374 0.000 0.911 573 E HN 0.050 nan 8.360 nan 0.000 0.500 574 P HA 0.038 nan 4.420 nan 0.000 0.280 574 P C 0.207 177.480 177.300 -0.045 0.000 1.244 574 P CA -0.125 62.888 63.100 -0.146 0.000 0.784 574 P CB 0.903 32.592 31.700 -0.019 0.000 0.913 575 I N 1.792 122.340 120.570 -0.036 0.000 2.493 575 I HA -0.029 4.141 4.170 0.000 0.000 0.254 575 I C 1.305 177.397 176.117 -0.041 0.000 1.160 575 I CA 1.562 62.837 61.300 -0.042 0.000 1.445 575 I CB -0.577 37.389 38.000 -0.056 0.000 1.086 575 I HN 0.472 nan 8.210 nan 0.000 0.433 576 A N -0.802 122.044 122.820 0.044 0.000 2.605 576 A HA 0.622 4.942 4.320 0.000 0.000 0.294 576 A C -1.541 176.162 177.584 0.198 0.000 1.062 576 A CA -0.551 51.511 52.037 0.041 0.000 0.682 576 A CB 1.219 20.201 19.000 -0.029 0.000 1.278 576 A HN -0.043 nan 8.150 nan 0.000 0.410 577 D N 1.051 121.610 120.400 0.264 0.000 2.381 577 D HA 0.385 5.025 4.640 0.000 0.000 0.245 577 D C 1.083 177.538 176.300 0.258 0.000 1.297 577 D CA 0.447 54.647 54.000 0.332 0.000 0.931 577 D CB 0.842 41.889 40.800 0.412 0.000 1.334 577 D HN 0.721 nan 8.370 nan 0.000 0.535 578 G N 1.023 109.890 108.800 0.112 0.000 2.535 578 G HA2 -0.213 3.747 3.960 0.000 0.000 0.218 578 G HA3 -0.213 3.747 3.960 0.000 0.000 0.218 578 G C 1.087 175.905 174.900 -0.137 0.000 1.122 578 G CA 0.391 45.462 45.100 -0.049 0.000 0.769 578 G HN 0.442 nan 8.290 nan 0.000 0.549 579 F N -0.089 119.891 119.950 0.050 0.000 2.456 579 F HA 0.217 4.744 4.527 0.000 0.000 0.298 579 F C 2.652 178.338 175.800 -0.189 0.000 1.104 579 F CA 0.667 58.580 58.000 -0.145 0.000 1.435 579 F CB 0.222 39.031 39.000 -0.318 0.000 1.078 579 F HN 0.002 nan 8.300 nan 0.000 0.546 580 R N -0.386 120.214 120.500 0.167 0.000 2.437 580 R HA 0.099 4.439 4.340 0.000 0.000 0.257 580 R C 0.064 176.526 176.300 0.271 0.000 0.927 580 R CA -0.070 56.145 56.100 0.191 0.000 1.078 580 R CB 0.037 30.525 30.300 0.313 0.000 1.161 580 R HN -0.013 nan 8.270 nan 0.000 0.529 581 N N 0.679 119.485 118.700 0.177 0.000 2.740 581 N HA -0.269 4.471 4.740 0.000 0.000 0.248 581 N C -1.494 174.183 175.510 0.278 0.000 1.062 581 N CA 0.879 54.037 53.050 0.181 0.000 0.704 581 N CB -1.104 37.476 38.487 0.155 0.000 0.968 581 N HN 0.340 nan 8.380 nan 0.000 0.547 582 Y N 0.455 120.756 120.300 0.001 0.000 2.377 582 Y HA 0.636 5.186 4.550 0.000 0.000 0.339 582 Y C -0.120 175.652 175.900 -0.213 0.000 1.011 582 Y CA -0.825 57.061 58.100 -0.357 0.000 1.093 582 Y CB 1.091 39.132 38.460 -0.698 0.000 1.201 582 Y HN 0.065 nan 8.280 nan 0.000 0.455 583 R N 4.839 124.808 120.500 -0.884 0.000 2.531 583 R HA 0.504 4.844 4.340 0.000 0.000 0.293 583 R C -0.571 175.248 176.300 -0.802 0.000 1.124 583 R CA 0.369 56.075 56.100 -0.657 0.000 0.945 583 R CB 1.618 31.754 30.300 -0.273 0.000 1.195 583 R HN 0.963 nan 8.270 nan 0.000 0.433 584 A N 4.616 126.955 122.820 -0.801 0.000 1.832 584 A HA 0.117 4.437 4.320 0.000 0.000 0.214 584 A C 0.416 177.852 177.584 -0.247 0.000 1.204 584 A CA 0.870 52.582 52.037 -0.541 0.000 0.606 584 A CB 0.195 19.033 19.000 -0.270 0.000 0.849 584 A HN 0.571 nan 8.150 nan 0.000 0.445 585 R N -1.172 119.221 120.500 -0.177 0.000 2.686 585 R HA 0.588 4.928 4.340 0.000 0.000 0.286 585 R C -0.113 176.136 176.300 -0.086 0.000 0.969 585 R CA -0.589 55.450 56.100 -0.101 0.000 0.898 585 R CB 1.564 31.821 30.300 -0.072 0.000 1.183 585 R HN 0.281 nan 8.270 nan 0.000 0.456 586 L N 0.744 121.932 121.223 -0.058 0.000 2.253 586 L HA -0.059 4.281 4.340 0.000 0.000 0.205 586 L C 1.719 178.569 176.870 -0.034 0.000 1.078 586 L CA 0.788 55.601 54.840 -0.044 0.000 0.805 586 L CB -0.104 41.938 42.059 -0.029 0.000 0.963 586 L HN 0.692 nan 8.230 nan 0.000 0.459 587 D N -0.156 120.226 120.400 -0.031 0.000 2.239 587 D HA -0.144 4.496 4.640 0.000 0.000 0.202 587 D C 1.274 177.559 176.300 -0.024 0.000 0.993 587 D CA 0.892 54.878 54.000 -0.023 0.000 0.874 587 D CB 0.209 40.996 40.800 -0.022 0.000 0.922 587 D HN 0.010 nan 8.370 nan 0.000 0.464 588 V N -0.417 119.478 119.914 -0.031 0.000 5.209 588 V HA 0.168 4.288 4.120 0.000 0.000 0.273 588 V C 1.369 177.447 176.094 -0.027 0.000 1.376 588 V CA -0.035 62.247 62.300 -0.030 0.000 0.689 588 V CB 0.283 32.084 31.823 -0.037 0.000 1.297 588 V HN 0.149 nan 8.190 nan 0.000 0.391 589 S N 0.704 116.387 115.700 -0.028 0.000 2.680 589 S HA 0.132 4.602 4.470 0.000 0.000 0.249 589 S C 0.215 174.799 174.600 -0.026 0.000 1.358 589 S CA 0.247 58.432 58.200 -0.025 0.000 0.963 589 S CB -0.294 62.890 63.200 -0.026 0.000 0.984 589 S HN 0.987 nan 8.310 nan 0.000 0.584 590 T N -2.957 111.582 114.554 -0.024 0.000 2.912 590 T HA 0.371 4.721 4.350 0.000 0.000 0.280 590 T C 1.155 175.836 174.700 -0.033 0.000 0.989 590 T CA -0.437 61.649 62.100 -0.023 0.000 0.995 590 T CB 0.796 69.653 68.868 -0.018 0.000 1.077 590 T HN 0.397 nan 8.240 nan 0.000 0.531 591 T N 1.102 115.638 114.554 -0.030 0.000 2.674 591 T HA -0.104 4.246 4.350 0.000 0.000 0.265 591 T C 2.010 176.675 174.700 -0.058 0.000 1.039 591 T CA 1.656 63.732 62.100 -0.040 0.000 1.150 591 T CB -0.381 68.473 68.868 -0.023 0.000 0.864 591 T HN 0.879 nan 8.240 nan 0.000 0.427 592 E N 1.937 122.094 120.200 -0.072 0.000 2.153 592 E HA -0.126 4.224 4.350 0.000 0.000 0.194 592 E C 2.346 178.889 176.600 -0.095 0.000 0.988 592 E CA 1.630 57.963 56.400 -0.112 0.000 0.811 592 E CB -0.698 28.919 29.700 -0.139 0.000 0.746 592 E HN 0.598 nan 8.360 nan 0.000 0.466 593 S N 1.073 116.735 115.700 -0.064 0.000 2.387 593 S HA -0.051 4.419 4.470 0.000 0.000 0.226 593 S C 2.250 176.830 174.600 -0.034 0.000 1.026 593 S CA 0.567 58.738 58.200 -0.048 0.000 0.972 593 S CB -0.578 62.601 63.200 -0.035 0.000 0.814 593 S HN 0.253 nan 8.310 nan 0.000 0.477 594 L N 0.586 121.790 121.223 -0.033 0.000 2.201 594 L HA 0.047 4.387 4.340 0.000 0.000 0.212 594 L C 2.529 179.398 176.870 -0.001 0.000 1.105 594 L CA 0.796 55.627 54.840 -0.015 0.000 0.775 594 L CB -0.569 41.477 42.059 -0.023 0.000 0.913 594 L HN 0.352 nan 8.230 nan 0.000 0.440 595 L N -0.347 120.852 121.223 -0.040 0.000 2.005 595 L HA -0.190 4.150 4.340 0.000 0.000 0.207 595 L C 2.339 179.189 176.870 -0.033 0.000 1.072 595 L CA 1.781 56.578 54.840 -0.072 0.000 0.744 595 L CB -0.432 41.537 42.059 -0.150 0.000 0.895 595 L HN 0.018 nan 8.230 nan 0.000 0.433 596 I N 0.493 121.037 120.570 -0.043 0.000 2.194 596 I HA -0.313 3.857 4.170 0.000 0.000 0.246 596 I C 2.366 178.516 176.117 0.055 0.000 1.093 596 I CA 1.827 63.128 61.300 0.001 0.000 1.355 596 I CB -1.367 36.620 38.000 -0.022 0.000 1.046 596 I HN 0.515 nan 8.210 nan 0.000 0.413 597 D N -0.015 120.411 120.400 0.043 0.000 2.178 597 D HA -0.228 4.412 4.640 0.000 0.000 0.202 597 D C 2.200 178.562 176.300 0.103 0.000 0.974 597 D CA 1.018 55.053 54.000 0.058 0.000 0.841 597 D CB 0.114 40.932 40.800 0.030 0.000 0.953 597 D HN 0.113 nan 8.370 nan 0.000 0.478 598 K N 0.358 120.847 120.400 0.148 0.000 2.025 598 K HA 0.015 4.335 4.320 0.000 0.000 0.207 598 K C 1.880 178.671 176.600 0.318 0.000 1.049 598 K CA 1.464 57.896 56.287 0.241 0.000 0.933 598 K CB -0.532 32.172 32.500 0.341 0.000 0.714 598 K HN 0.104 nan 8.250 nan 0.000 0.438 599 A N 0.417 123.465 122.820 0.380 0.000 1.972 599 A HA -0.209 4.111 4.320 0.000 0.000 0.219 599 A C 2.151 179.876 177.584 0.235 0.000 1.169 599 A CA 1.828 54.111 52.037 0.411 0.000 0.635 599 A CB -0.622 18.629 19.000 0.419 0.000 0.810 599 A HN 0.590 nan 8.150 nan 0.000 0.446 600 Q N -0.408 119.493 119.800 0.169 0.000 2.083 600 Q HA -0.174 4.166 4.340 0.000 0.000 0.198 600 Q C 2.112 178.182 176.000 0.116 0.000 0.969 600 Q CA 1.543 57.418 55.803 0.121 0.000 0.838 600 Q CB -0.247 28.541 28.738 0.084 0.000 0.900 600 Q HN 0.751 nan 8.270 nan 0.000 0.436 601 Q N -0.127 119.740 119.800 0.112 0.000 2.173 601 Q HA -0.176 4.164 4.340 0.000 0.000 0.208 601 Q C 1.318 177.406 176.000 0.147 0.000 0.989 601 Q CA 1.237 57.094 55.803 0.090 0.000 0.872 601 Q CB -0.084 28.698 28.738 0.074 0.000 0.909 601 Q HN 0.428 nan 8.270 nan 0.000 0.420 602 L N 0.896 122.219 121.223 0.166 0.000 2.685 602 L HA 0.078 4.418 4.340 0.000 0.000 0.233 602 L C 0.393 177.346 176.870 0.138 0.000 1.173 602 L CA 0.263 55.204 54.840 0.168 0.000 0.961 602 L CB -0.240 41.846 42.059 0.046 0.000 1.217 602 L HN 0.292 nan 8.230 nan 0.000 0.478 603 T N -2.143 112.506 114.554 0.158 0.000 3.935 603 T HA -0.273 4.077 4.350 0.000 0.000 0.346 603 T C 0.077 174.833 174.700 0.094 0.000 0.758 603 T CA 0.687 62.859 62.100 0.121 0.000 1.874 603 T CB -2.638 66.304 68.868 0.123 0.000 1.875 603 T HN 0.229 nan 8.240 nan 0.000 0.802 604 L N 1.650 122.944 121.223 0.118 0.000 2.371 604 L HA 0.540 4.880 4.340 0.000 0.000 0.272 604 L C 1.554 178.508 176.870 0.140 0.000 1.124 604 L CA -0.489 54.430 54.840 0.131 0.000 0.816 604 L CB 1.015 43.189 42.059 0.193 0.000 1.129 604 L HN 0.545 nan 8.230 nan 0.000 0.448 605 T N -0.928 113.703 114.554 0.129 0.000 2.816 605 T HA 0.349 4.699 4.350 0.000 0.000 0.282 605 T C 1.150 175.951 174.700 0.168 0.000 0.993 605 T CA -0.199 61.977 62.100 0.127 0.000 0.994 605 T CB 1.455 70.387 68.868 0.106 0.000 1.025 605 T HN 0.637 nan 8.240 nan 0.000 0.529 606 A N 1.237 124.148 122.820 0.151 0.000 1.902 606 A HA 0.086 4.406 4.320 0.000 0.000 0.217 606 A C -0.151 177.580 177.584 0.245 0.000 1.181 606 A CA 1.121 53.268 52.037 0.182 0.000 0.623 606 A CB -1.969 17.107 19.000 0.127 0.000 0.818 606 A HN 0.718 nan 8.150 nan 0.000 0.443 607 P HA -0.161 nan 4.420 nan 0.000 0.214 607 P C 1.157 178.648 177.300 0.318 0.000 1.163 607 P CA 1.577 64.829 63.100 0.253 0.000 0.883 607 P CB -0.147 31.655 31.700 0.170 0.000 0.788 608 E N -0.807 119.535 120.200 0.237 0.000 2.070 608 E HA -0.240 4.110 4.350 0.000 0.000 0.197 608 E C 2.052 178.824 176.600 0.285 0.000 1.004 608 E CA 1.368 57.893 56.400 0.208 0.000 0.805 608 E CB -0.624 29.162 29.700 0.144 0.000 0.744 608 E HN 0.191 nan 8.360 nan 0.000 0.451 609 M N 0.511 120.322 119.600 0.351 0.000 2.108 609 M HA -0.197 4.283 4.480 0.000 0.000 0.261 609 M C 1.995 178.565 176.300 0.450 0.000 1.066 609 M CA 1.720 57.315 55.300 0.492 0.000 1.107 609 M CB -0.098 32.766 32.600 0.440 0.000 1.356 609 M HN 0.041 nan 8.290 nan 0.000 0.406 610 T N 0.801 115.629 114.554 0.457 0.000 2.777 610 T HA -0.004 4.347 4.350 0.000 0.000 0.266 610 T C 1.823 176.763 174.700 0.400 0.000 1.040 610 T CA 1.379 63.720 62.100 0.402 0.000 1.141 610 T CB -0.482 68.738 68.868 0.586 0.000 0.868 610 T HN 0.597 nan 8.240 nan 0.000 0.444 611 A N 1.338 124.410 122.820 0.419 0.000 1.908 611 A HA -0.053 4.267 4.320 0.000 0.000 0.218 611 A C 2.195 180.020 177.584 0.402 0.000 1.181 611 A CA 1.269 53.481 52.037 0.291 0.000 0.627 611 A CB -0.774 18.239 19.000 0.021 0.000 0.818 611 A HN 0.336 nan 8.150 nan 0.000 0.445 612 L N -0.642 120.751 121.223 0.284 0.000 2.072 612 L HA -0.052 4.288 4.340 0.000 0.000 0.205 612 L C 2.575 179.590 176.870 0.241 0.000 1.079 612 L CA 1.329 56.322 54.840 0.256 0.000 0.752 612 L CB -0.724 41.483 42.059 0.246 0.000 0.906 612 L HN 0.200 nan 8.230 nan 0.000 0.436 613 V N -0.567 119.379 119.914 0.054 0.000 2.358 613 V HA -0.160 3.960 4.120 0.000 0.000 0.246 613 V C 2.509 178.184 176.094 -0.699 0.000 1.047 613 V CA 1.663 63.749 62.300 -0.358 0.000 1.035 613 V CB -1.120 30.251 31.823 -0.753 0.000 0.658 613 V HN 0.560 nan 8.190 nan 0.000 0.452 614 G N -0.138 108.260 108.800 -0.669 0.000 2.422 614 G HA2 -0.139 3.821 3.960 0.000 0.000 0.218 614 G HA3 -0.139 3.821 3.960 0.000 0.000 0.218 614 G C 1.594 176.290 174.900 -0.340 0.000 1.146 614 G CA 0.921 45.441 45.100 -0.966 0.000 0.769 614 G HN 0.578 nan 8.290 nan 0.000 0.547 615 G N 0.446 109.315 108.800 0.116 0.000 2.394 615 G HA2 -0.109 3.851 3.960 0.000 0.000 0.215 615 G HA3 -0.109 3.851 3.960 0.000 0.000 0.215 615 G C 1.821 176.610 174.900 -0.186 0.000 1.165 615 G CA 0.807 45.835 45.100 -0.120 0.000 0.784 615 G HN 0.268 nan 8.290 nan 0.000 0.535 616 M N 0.193 119.764 119.600 -0.049 0.000 2.229 616 M HA 0.052 4.532 4.480 0.000 0.000 0.264 616 M C 2.619 178.789 176.300 -0.217 0.000 1.063 616 M CA 0.825 56.052 55.300 -0.121 0.000 1.114 616 M CB -0.737 31.775 32.600 -0.147 0.000 1.387 616 M HN 0.079 nan 8.290 nan 0.000 0.420 617 R N 0.567 120.856 120.500 -0.352 0.000 2.061 617 R HA -0.067 4.273 4.340 0.000 0.000 0.230 617 R C 2.272 178.429 176.300 -0.238 0.000 1.140 617 R CA 1.554 57.438 56.100 -0.360 0.000 0.940 617 R CB -1.741 28.213 30.300 -0.577 0.000 0.839 617 R HN 0.475 nan 8.270 nan 0.000 0.429 618 V N -0.835 118.942 119.914 -0.228 0.000 3.305 618 V HA 0.026 4.146 4.120 0.000 0.000 0.269 618 V C 1.700 177.712 176.094 -0.137 0.000 1.157 618 V CA 1.201 63.409 62.300 -0.153 0.000 1.157 618 V CB -0.634 31.108 31.823 -0.136 0.000 0.772 618 V HN 0.106 nan 8.190 nan 0.000 0.498 619 L N 1.426 122.553 121.223 -0.160 0.000 2.653 619 L HA 0.496 4.836 4.340 0.000 0.000 0.231 619 L C 1.687 178.503 176.870 -0.091 0.000 1.153 619 L CA 0.359 55.115 54.840 -0.139 0.000 0.933 619 L CB -0.586 41.365 42.059 -0.180 0.000 1.175 619 L HN 0.545 nan 8.230 nan 0.000 0.473 620 G N 1.197 109.947 108.800 -0.084 0.000 2.356 620 G HA2 -0.319 3.641 3.960 0.000 0.000 0.296 620 G HA3 -0.319 3.641 3.960 0.000 0.000 0.296 620 G C 0.682 175.559 174.900 -0.038 0.000 1.022 620 G CA 0.484 45.551 45.100 -0.055 0.000 0.961 620 G HN 0.536 nan 8.290 nan 0.000 0.510 621 A N -0.469 122.324 122.820 -0.044 0.000 2.423 621 A HA 0.407 4.727 4.320 0.000 0.000 0.246 621 A C 1.064 178.664 177.584 0.027 0.000 1.278 621 A CA -0.090 51.945 52.037 -0.003 0.000 0.903 621 A CB 0.048 19.043 19.000 -0.008 0.000 0.997 621 A HN 0.437 nan 8.150 nan 0.000 0.510 622 N N 0.307 119.015 118.700 0.015 0.000 2.441 622 N HA 0.070 4.810 4.740 0.000 0.000 0.251 622 N C 0.844 176.410 175.510 0.093 0.000 1.242 622 N CA -0.058 53.040 53.050 0.079 0.000 0.898 622 N CB 0.116 38.628 38.487 0.041 0.000 1.100 622 N HN 0.463 nan 8.380 nan 0.000 0.443 623 F N 0.358 120.366 119.950 0.098 0.000 2.373 623 F HA -0.069 4.458 4.527 0.000 0.000 0.300 623 F C 0.796 176.648 175.800 0.088 0.000 1.080 623 F CA 0.678 58.738 58.000 0.099 0.000 1.417 623 F CB -0.040 39.023 39.000 0.105 0.000 1.070 623 F HN 0.352 nan 8.300 nan 0.000 0.546 624 D N -1.427 118.482 120.400 -0.819 0.000 2.540 624 D HA 0.206 4.846 4.640 0.000 0.000 0.229 624 D C 1.637 177.757 176.300 -0.300 0.000 1.250 624 D CA 0.157 53.747 54.000 -0.684 0.000 0.817 624 D CB -0.094 40.072 40.800 -1.057 0.000 1.060 624 D HN 0.345 nan 8.370 nan 0.000 0.508 625 G N 0.680 109.371 108.800 -0.182 0.000 2.175 625 G HA2 -0.336 3.624 3.960 0.000 0.000 0.265 625 G HA3 -0.336 3.624 3.960 0.000 0.000 0.265 625 G C 0.478 175.333 174.900 -0.074 0.000 0.979 625 G CA 0.614 45.659 45.100 -0.091 0.000 0.663 625 G HN 0.724 nan 8.290 nan 0.000 0.533 626 S N -0.698 114.937 115.700 -0.108 0.000 2.559 626 S HA 0.303 4.773 4.470 0.000 0.000 0.282 626 S C 1.428 176.033 174.600 0.007 0.000 1.336 626 S CA 0.845 59.022 58.200 -0.039 0.000 1.037 626 S CB 0.751 63.938 63.200 -0.022 0.000 0.853 626 S HN 0.209 nan 8.310 nan 0.000 0.523 627 K N 1.906 122.334 120.400 0.047 0.000 2.404 627 K HA 0.235 4.555 4.320 0.000 0.000 0.194 627 K C -0.286 176.386 176.600 0.121 0.000 1.023 627 K CA -0.023 56.312 56.287 0.080 0.000 1.094 627 K CB -0.593 31.970 32.500 0.104 0.000 0.841 627 K HN 0.566 nan 8.250 nan 0.000 0.523 628 N N 0.618 119.387 118.700 0.114 0.000 2.468 628 N HA 0.088 4.828 4.740 0.000 0.000 0.265 628 N C 1.129 176.653 175.510 0.023 0.000 1.199 628 N CA 1.166 54.304 53.050 0.147 0.000 0.928 628 N CB 0.777 39.352 38.487 0.146 0.000 1.059 628 N HN 0.272 nan 8.380 nan 0.000 0.467 629 G N 0.351 109.124 108.800 -0.044 0.000 2.253 629 G HA2 -0.301 3.659 3.960 0.000 0.000 0.251 629 G HA3 -0.301 3.659 3.960 0.000 0.000 0.251 629 G C 0.086 174.464 174.900 -0.870 0.000 0.998 629 G CA 0.164 44.885 45.100 -0.632 0.000 0.621 629 G HN 0.487 nan 8.290 nan 0.000 0.524 630 V N 2.726 122.482 119.914 -0.263 0.000 2.055 630 V HA 0.337 4.457 4.120 0.000 0.000 0.248 630 V C 0.395 176.505 176.094 0.027 0.000 1.476 630 V CA -0.275 61.944 62.300 -0.136 0.000 1.417 630 V CB -0.913 30.899 31.823 -0.018 0.000 1.465 630 V HN 0.239 nan 8.190 nan 0.000 0.502 631 F N 2.023 121.812 119.950 -0.267 0.000 2.659 631 F HA 0.464 4.991 4.527 0.000 0.000 0.360 631 F C 0.921 176.515 175.800 -0.344 0.000 1.218 631 F CA -0.120 57.416 58.000 -0.774 0.000 1.317 631 F CB -0.350 38.020 39.000 -1.050 0.000 1.697 631 F HN 0.335 nan 8.300 nan 0.000 0.637 632 T N 0.372 115.006 114.554 0.134 0.000 3.393 632 T HA 0.191 4.541 4.350 0.000 0.000 0.359 632 T C -0.056 174.737 174.700 0.154 0.000 1.380 632 T CA -0.790 61.384 62.100 0.123 0.000 1.132 632 T CB 0.739 69.626 68.868 0.031 0.000 1.284 632 T HN 0.295 nan 8.240 nan 0.000 0.477 633 D N 3.129 123.615 120.400 0.143 0.000 2.324 633 D HA 0.079 4.719 4.640 0.000 0.000 0.235 633 D C 0.816 177.152 176.300 0.060 0.000 1.095 633 D CA -0.055 54.006 54.000 0.101 0.000 0.871 633 D CB 0.030 40.882 40.800 0.087 0.000 0.906 633 D HN 0.576 nan 8.370 nan 0.000 0.522 634 R N -0.003 120.525 120.500 0.048 0.000 2.850 634 R HA 0.316 4.656 4.340 0.000 0.000 0.266 634 R C -1.308 174.993 176.300 0.001 0.000 1.782 634 R CA -0.659 55.453 56.100 0.021 0.000 1.310 634 R CB 0.034 30.344 30.300 0.016 0.000 1.337 634 R HN -0.141 nan 8.270 nan 0.000 0.546 635 V N 1.918 121.831 119.914 -0.003 0.000 2.617 635 V HA 0.256 4.376 4.120 0.000 0.000 0.304 635 V C 1.496 177.567 176.094 -0.039 0.000 1.040 635 V CA 1.316 63.601 62.300 -0.025 0.000 1.149 635 V CB 0.711 32.522 31.823 -0.020 0.000 0.914 635 V HN 1.062 nan 8.190 nan 0.000 0.487 636 G N 2.787 111.550 108.800 -0.063 0.000 2.134 636 G HA2 -0.148 3.812 3.960 0.000 0.000 0.209 636 G HA3 -0.148 3.812 3.960 0.000 0.000 0.209 636 G C -0.212 174.640 174.900 -0.081 0.000 0.993 636 G CA -0.037 45.018 45.100 -0.076 0.000 0.669 636 G HN 1.354 nan 8.290 nan 0.000 0.519 637 V N 0.973 120.843 119.914 -0.073 0.000 2.407 637 V HA 0.705 4.825 4.120 0.000 0.000 0.291 637 V C 0.469 176.521 176.094 -0.071 0.000 1.018 637 V CA -1.079 61.182 62.300 -0.064 0.000 0.842 637 V CB 1.395 33.199 31.823 -0.032 0.000 0.996 637 V HN 0.486 nan 8.190 nan 0.000 0.426 638 L N 7.662 128.832 121.223 -0.089 0.000 2.436 638 L HA 0.341 4.681 4.340 0.000 0.000 0.244 638 L C 0.873 177.800 176.870 0.095 0.000 1.396 638 L CA 0.815 55.609 54.840 -0.077 0.000 1.217 638 L CB -0.587 41.362 42.059 -0.183 0.000 1.420 638 L HN 0.930 nan 8.230 nan 0.000 0.434 639 S N 0.368 116.114 115.700 0.076 0.000 2.713 639 S HA 0.351 4.821 4.470 0.000 0.000 0.277 639 S C 0.850 175.404 174.600 -0.077 0.000 1.168 639 S CA -0.326 57.972 58.200 0.163 0.000 0.994 639 S CB 0.822 64.122 63.200 0.166 0.000 1.054 639 S HN 0.569 nan 8.310 nan 0.000 0.555 640 N N -0.387 118.192 118.700 -0.201 0.000 2.295 640 N HA 0.081 4.821 4.740 0.000 0.000 0.221 640 N C -0.089 175.360 175.510 -0.102 0.000 1.129 640 N CA -0.122 52.698 53.050 -0.382 0.000 0.836 640 N CB -0.380 37.798 38.487 -0.515 0.000 1.040 640 N HN 0.489 nan 8.380 nan 0.000 0.494 641 D N 1.106 121.466 120.400 -0.067 0.000 2.126 641 D HA -0.227 4.413 4.640 0.000 0.000 0.190 641 D C 1.283 177.541 176.300 -0.070 0.000 1.001 641 D CA 1.092 55.074 54.000 -0.031 0.000 0.841 641 D CB -0.492 40.301 40.800 -0.012 0.000 0.949 641 D HN 0.390 nan 8.370 nan 0.000 0.446 642 F N 0.174 119.923 119.950 -0.334 0.000 2.147 642 F HA -0.271 4.256 4.527 0.000 0.000 0.301 642 F C 1.861 177.425 175.800 -0.393 0.000 1.084 642 F CA 1.452 59.149 58.000 -0.504 0.000 1.268 642 F CB -0.260 38.184 39.000 -0.927 0.000 1.009 642 F HN -0.099 nan 8.300 nan 0.000 0.486 643 F N -0.986 118.909 119.950 -0.091 0.000 2.317 643 F HA -0.000 4.527 4.527 0.000 0.000 0.293 643 F C 2.257 177.990 175.800 -0.112 0.000 1.085 643 F CA 0.913 58.853 58.000 -0.100 0.000 1.390 643 F CB -1.152 37.846 39.000 -0.004 0.000 1.077 643 F HN -0.253 nan 8.300 nan 0.000 0.517 644 V N 0.791 120.763 119.914 0.097 0.000 2.295 644 V HA -0.327 3.793 4.120 0.000 0.000 0.246 644 V C 1.745 177.861 176.094 0.036 0.000 1.049 644 V CA 2.472 64.806 62.300 0.057 0.000 1.024 644 V CB -0.853 30.994 31.823 0.041 0.000 0.648 644 V HN 0.359 nan 8.190 nan 0.000 0.447 645 N N -0.074 118.602 118.700 -0.041 0.000 2.171 645 N HA -0.146 4.594 4.740 0.000 0.000 0.184 645 N C 1.720 177.145 175.510 -0.142 0.000 1.021 645 N CA 1.088 54.081 53.050 -0.095 0.000 0.854 645 N CB -0.290 37.946 38.487 -0.420 0.000 0.994 645 N HN 0.338 nan 8.380 nan 0.000 0.426 646 L N 1.269 122.329 121.223 -0.272 0.000 2.010 646 L HA -0.174 4.167 4.340 0.000 0.000 0.219 646 L C 1.485 178.328 176.870 -0.045 0.000 1.077 646 L CA 1.774 56.447 54.840 -0.279 0.000 0.773 646 L CB -0.530 41.248 42.059 -0.468 0.000 0.892 646 L HN 0.264 nan 8.230 nan 0.000 0.436 647 L N -0.680 120.551 121.223 0.014 0.000 2.591 647 L HA 0.046 4.386 4.340 0.000 0.000 0.228 647 L C 0.427 177.360 176.870 0.105 0.000 1.133 647 L CA -0.013 54.871 54.840 0.072 0.000 0.880 647 L CB -0.576 41.531 42.059 0.080 0.000 1.033 647 L HN 0.325 nan 8.230 nan 0.000 0.450 648 D N 1.131 121.622 120.400 0.151 0.000 2.317 648 D HA 0.055 4.695 4.640 0.000 0.000 0.252 648 D C 1.257 177.642 176.300 0.141 0.000 1.174 648 D CA -0.198 53.894 54.000 0.153 0.000 0.866 648 D CB 1.346 42.269 40.800 0.205 0.000 1.127 648 D HN 0.095 nan 8.370 nan 0.000 0.467 649 M N 3.167 122.803 119.600 0.060 0.000 2.623 649 M HA -0.154 4.326 4.480 0.000 0.000 0.258 649 M C 1.797 178.061 176.300 -0.059 0.000 1.067 649 M CA 0.746 56.064 55.300 0.030 0.000 1.068 649 M CB -0.407 32.200 32.600 0.010 0.000 1.409 649 M HN 0.279 nan 8.290 nan 0.000 0.504 650 R N 0.738 121.129 120.500 -0.182 0.000 2.193 650 R HA -0.073 4.267 4.340 0.000 0.000 0.229 650 R C -0.495 175.437 176.300 -0.614 0.000 1.110 650 R CA 0.974 56.794 56.100 -0.467 0.000 0.988 650 R CB 0.080 29.931 30.300 -0.750 0.000 0.871 650 R HN 0.269 nan 8.270 nan 0.000 0.458 651 Y N 0.069 120.308 120.300 -0.102 0.000 2.377 651 Y HA 0.355 4.905 4.550 0.000 0.000 0.339 651 Y C -0.419 175.305 175.900 -0.293 0.000 1.011 651 Y CA -1.089 56.841 58.100 -0.284 0.000 1.093 651 Y CB 1.568 39.772 38.460 -0.427 0.000 1.201 651 Y HN -0.036 nan 8.280 nan 0.000 0.455 652 E N 3.173 123.247 120.200 -0.210 0.000 2.158 652 E HA 0.277 4.627 4.350 0.000 0.000 0.271 652 E C -1.911 174.601 176.600 -0.146 0.000 0.911 652 E CA -0.744 55.602 56.400 -0.089 0.000 0.767 652 E CB 0.917 30.590 29.700 -0.045 0.000 1.120 652 E HN 0.652 nan 8.360 nan 0.000 0.405 653 W N 3.782 125.156 121.300 0.123 0.000 2.475 653 W HA 0.442 5.102 4.660 0.000 0.000 0.317 653 W C -0.118 176.531 176.519 0.216 0.000 1.046 653 W CA -0.650 56.810 57.345 0.191 0.000 1.215 653 W CB 1.544 31.135 29.460 0.218 0.000 1.335 653 W HN 0.278 nan 8.180 nan 0.000 0.471 654 K N 1.771 122.394 120.400 0.371 0.000 2.498 654 K HA 0.712 5.032 4.320 0.000 0.000 0.254 654 K C -0.535 175.989 176.600 -0.126 0.000 0.933 654 K CA -0.820 55.534 56.287 0.112 0.000 0.806 654 K CB 1.987 34.514 32.500 0.045 0.000 1.301 654 K HN 0.471 nan 8.250 nan 0.000 0.432 655 A N 1.360 123.942 122.820 -0.397 0.000 2.425 655 A HA 0.186 4.506 4.320 0.000 0.000 0.249 655 A C 1.084 178.520 177.584 -0.247 0.000 1.084 655 A CA 0.355 52.032 52.037 -0.599 0.000 0.781 655 A CB 0.067 18.718 19.000 -0.581 0.000 1.019 655 A HN 0.914 nan 8.150 nan 0.000 0.490 656 T N 0.619 115.066 114.554 -0.179 0.000 2.613 656 T HA -0.061 4.289 4.350 0.000 0.000 0.248 656 T C 0.974 175.635 174.700 -0.065 0.000 1.107 656 T CA 1.292 63.350 62.100 -0.070 0.000 1.238 656 T CB -0.650 68.209 68.868 -0.014 0.000 0.899 656 T HN 0.809 nan 8.240 nan 0.000 0.400 657 D N 0.974 121.341 120.400 -0.055 0.000 2.312 657 D HA 0.179 4.819 4.640 0.000 0.000 0.290 657 D C 1.009 177.274 176.300 -0.058 0.000 1.170 657 D CA -0.145 53.830 54.000 -0.041 0.000 1.085 657 D CB -0.030 40.759 40.800 -0.019 0.000 1.154 657 D HN 0.406 nan 8.370 nan 0.000 0.535 658 E N -1.599 118.578 120.200 -0.039 0.000 2.562 658 E HA 0.188 4.538 4.350 0.000 0.000 0.214 658 E C 1.681 178.266 176.600 -0.026 0.000 0.979 658 E CA -0.092 56.285 56.400 -0.038 0.000 1.002 658 E CB 0.433 30.118 29.700 -0.024 0.000 1.048 658 E HN 0.232 nan 8.360 nan 0.000 0.488 659 S N 1.296 116.986 115.700 -0.018 0.000 2.389 659 S HA -0.238 4.232 4.470 0.000 0.000 0.231 659 S C 0.634 175.237 174.600 0.005 0.000 1.052 659 S CA 1.343 59.542 58.200 -0.001 0.000 1.053 659 S CB -0.139 63.067 63.200 0.010 0.000 0.886 659 S HN 0.275 nan 8.310 nan 0.000 0.456 660 K N -0.353 120.023 120.400 -0.039 0.000 3.035 660 K HA -0.191 4.129 4.320 0.000 0.000 0.262 660 K C 0.143 176.827 176.600 0.139 0.000 1.024 660 K CA 0.802 57.057 56.287 -0.055 0.000 0.748 660 K CB -1.085 31.421 32.500 0.010 0.000 1.247 660 K HN 0.449 nan 8.250 nan 0.000 0.482 661 E N -0.157 120.119 120.200 0.127 0.000 2.201 661 E HA 0.062 4.412 4.350 0.000 0.000 0.193 661 E C 0.600 177.405 176.600 0.342 0.000 0.957 661 E CA 0.298 56.829 56.400 0.217 0.000 0.858 661 E CB 0.255 30.020 29.700 0.110 0.000 0.816 661 E HN 0.277 nan 8.360 nan 0.000 0.475 662 L N 1.009 122.378 121.223 0.243 0.000 2.322 662 L HA 0.398 4.738 4.340 0.000 0.000 0.281 662 L C -1.245 175.812 176.870 0.313 0.000 1.014 662 L CA -0.460 54.574 54.840 0.323 0.000 0.815 662 L CB 0.800 42.971 42.059 0.187 0.000 1.247 662 L HN -0.281 nan 8.230 nan 0.000 0.421 663 F N 2.136 122.199 119.950 0.189 0.000 2.522 663 F HA 0.522 5.049 4.527 0.000 0.000 0.324 663 F C 0.088 176.099 175.800 0.351 0.000 1.077 663 F CA -0.817 57.347 58.000 0.272 0.000 0.944 663 F CB 1.738 40.939 39.000 0.334 0.000 1.175 663 F HN 0.405 nan 8.300 nan 0.000 0.468 664 E N 0.869 121.320 120.200 0.418 0.000 2.113 664 E HA 0.432 4.782 4.350 0.000 0.000 0.273 664 E C -0.120 176.513 176.600 0.056 0.000 0.924 664 E CA -0.612 55.922 56.400 0.223 0.000 0.764 664 E CB 1.568 31.314 29.700 0.076 0.000 1.104 664 E HN 0.801 nan 8.360 nan 0.000 0.406 665 G N 3.574 112.177 108.800 -0.328 0.000 2.391 665 G HA2 0.189 4.149 3.960 0.000 0.000 0.305 665 G HA3 0.189 4.149 3.960 0.000 0.000 0.305 665 G C -0.138 174.358 174.900 -0.673 0.000 1.072 665 G CA -0.336 43.956 45.100 -1.347 0.000 1.016 665 G HN 0.338 nan 8.290 nan 0.000 0.418 666 R N 2.079 122.302 120.500 -0.462 0.000 2.346 666 R HA 0.180 4.521 4.340 0.000 0.000 0.311 666 R C -0.664 175.561 176.300 -0.126 0.000 0.983 666 R CA -0.751 55.214 56.100 -0.224 0.000 0.880 666 R CB 1.210 31.419 30.300 -0.152 0.000 1.100 666 R HN 0.546 nan 8.270 nan 0.000 0.453 667 D N 2.906 123.265 120.400 -0.068 0.000 2.383 667 D HA -0.046 4.594 4.640 0.000 0.000 0.252 667 D C 0.014 176.213 176.300 -0.169 0.000 1.166 667 D CA -0.018 53.882 54.000 -0.167 0.000 0.879 667 D CB 0.843 41.550 40.800 -0.155 0.000 1.164 667 D HN 0.554 nan 8.370 nan 0.000 0.462 668 R N 3.025 123.405 120.500 -0.201 0.000 4.031 668 R HA 0.146 4.486 4.340 0.000 0.000 0.269 668 R C 0.435 176.654 176.300 -0.136 0.000 1.668 668 R CA -0.107 55.909 56.100 -0.141 0.000 1.432 668 R CB -0.016 30.213 30.300 -0.118 0.000 1.374 668 R HN 0.501 nan 8.270 nan 0.000 0.681 669 E N 0.233 120.350 120.200 -0.137 0.000 2.626 669 E HA 0.000 4.350 4.350 0.000 0.000 0.198 669 E C -0.764 175.782 176.600 -0.090 0.000 0.943 669 E CA 0.294 56.628 56.400 -0.109 0.000 1.515 669 E CB 0.982 30.609 29.700 -0.122 0.000 1.677 669 E HN 0.355 nan 8.360 nan 0.000 0.897 670 T N -1.242 113.255 114.554 -0.095 0.000 3.446 670 T HA 0.354 4.704 4.350 0.000 0.000 0.289 670 T C 0.691 175.345 174.700 -0.077 0.000 1.203 670 T CA -0.244 61.810 62.100 -0.075 0.000 1.645 670 T CB 0.524 69.352 68.868 -0.067 0.000 0.841 670 T HN 0.176 nan 8.240 nan 0.000 0.617 671 G N 2.435 111.190 108.800 -0.075 0.000 3.326 671 G HA2 -0.004 3.956 3.960 0.000 0.000 0.198 671 G HA3 -0.004 3.956 3.960 0.000 0.000 0.198 671 G C 0.384 175.236 174.900 -0.080 0.000 1.135 671 G CA -0.062 44.991 45.100 -0.078 0.000 1.356 671 G HN 0.869 nan 8.290 nan 0.000 0.534 672 E N -1.216 118.932 120.200 -0.086 0.000 2.408 672 E HA 0.311 4.661 4.350 0.000 0.000 0.259 672 E C -0.205 176.320 176.600 -0.125 0.000 1.110 672 E CA -0.809 55.534 56.400 -0.095 0.000 0.929 672 E CB 1.058 30.700 29.700 -0.097 0.000 0.971 672 E HN -0.086 nan 8.360 nan 0.000 0.438 673 V N 3.376 123.211 119.914 -0.132 0.000 2.299 673 V HA 0.007 4.127 4.120 0.000 0.000 0.255 673 V C 0.994 176.934 176.094 -0.257 0.000 1.100 673 V CA -0.328 61.870 62.300 -0.170 0.000 0.938 673 V CB 0.454 32.215 31.823 -0.102 0.000 1.139 673 V HN 0.594 nan 8.190 nan 0.000 0.490 674 K N 3.385 123.519 120.400 -0.444 0.000 1.973 674 K HA 0.051 4.371 4.320 0.000 0.000 0.212 674 K C 0.338 176.444 176.600 -0.823 0.000 1.047 674 K CA 1.624 57.406 56.287 -0.842 0.000 0.937 674 K CB -0.036 31.574 32.500 -1.482 0.000 0.721 674 K HN 0.467 nan 8.250 nan 0.000 0.440 675 F N -0.598 119.207 119.950 -0.242 0.000 2.598 675 F HA 0.326 4.853 4.527 0.000 0.000 0.327 675 F C 0.663 176.533 175.800 0.118 0.000 1.057 675 F CA -1.237 56.745 58.000 -0.029 0.000 0.957 675 F CB 1.190 40.156 39.000 -0.056 0.000 1.278 675 F HN -0.147 nan 8.300 nan 0.000 0.484 676 T N -0.975 113.883 114.554 0.507 0.000 2.949 676 T HA 0.948 5.298 4.350 0.000 0.000 0.287 676 T C -0.894 174.199 174.700 0.655 0.000 1.034 676 T CA -0.745 61.659 62.100 0.506 0.000 1.018 676 T CB 1.864 70.923 68.868 0.317 0.000 1.135 676 T HN 1.121 nan 8.240 nan 0.000 0.532 677 A N 1.072 124.218 122.820 0.545 0.000 2.589 677 A HA 0.757 5.077 4.320 0.000 0.000 0.296 677 A C -0.004 177.725 177.584 0.242 0.000 1.062 677 A CA -0.567 51.684 52.037 0.357 0.000 0.686 677 A CB 1.221 20.300 19.000 0.132 0.000 1.282 677 A HN 1.518 nan 8.150 nan 0.000 0.404 678 S N 0.839 116.605 115.700 0.110 0.000 2.738 678 S HA 0.504 4.974 4.470 0.000 0.000 0.284 678 S C 0.831 175.379 174.600 -0.086 0.000 1.146 678 S CA -0.478 57.777 58.200 0.091 0.000 0.997 678 S CB 0.895 64.141 63.200 0.076 0.000 1.081 678 S HN 0.715 nan 8.310 nan 0.000 0.553 679 R N 0.095 120.563 120.500 -0.054 0.000 2.148 679 R HA 0.055 4.395 4.340 0.000 0.000 0.223 679 R C 2.409 178.631 176.300 -0.130 0.000 1.088 679 R CA 1.070 57.074 56.100 -0.159 0.000 0.985 679 R CB -0.874 29.404 30.300 -0.036 0.000 0.880 679 R HN 0.754 nan 8.270 nan 0.000 0.451 680 A N 1.641 124.424 122.820 -0.061 0.000 1.930 680 A HA -0.173 4.147 4.320 0.000 0.000 0.217 680 A C 1.360 179.001 177.584 0.095 0.000 1.175 680 A CA 1.625 53.646 52.037 -0.027 0.000 0.627 680 A CB -0.198 18.785 19.000 -0.028 0.000 0.815 680 A HN 0.152 nan 8.150 nan 0.000 0.443 681 D N -0.078 120.351 120.400 0.049 0.000 2.091 681 D HA -0.084 4.556 4.640 0.000 0.000 0.199 681 D C 1.810 178.208 176.300 0.163 0.000 0.980 681 D CA 0.817 54.910 54.000 0.155 0.000 0.831 681 D CB -0.389 40.433 40.800 0.037 0.000 0.987 681 D HN 0.232 nan 8.370 nan 0.000 0.460 682 L N 1.055 122.184 121.223 -0.157 0.000 2.056 682 L HA -0.072 4.268 4.340 0.000 0.000 0.207 682 L C 2.564 179.326 176.870 -0.180 0.000 1.078 682 L CA 0.841 55.478 54.840 -0.337 0.000 0.749 682 L CB -1.300 40.343 42.059 -0.694 0.000 0.901 682 L HN -0.041 nan 8.230 nan 0.000 0.433 683 V N -0.414 119.393 119.914 -0.179 0.000 2.511 683 V HA -0.339 3.781 4.120 0.000 0.000 0.257 683 V C 2.310 178.285 176.094 -0.198 0.000 1.088 683 V CA 1.684 63.850 62.300 -0.223 0.000 1.098 683 V CB -0.515 31.118 31.823 -0.317 0.000 0.674 683 V HN 0.347 nan 8.190 nan 0.000 0.470 684 F N 0.621 120.555 119.950 -0.027 0.000 2.641 684 F HA 0.161 4.688 4.527 0.000 0.000 0.298 684 F C 2.050 177.872 175.800 0.037 0.000 1.146 684 F CA 1.095 59.132 58.000 0.062 0.000 1.464 684 F CB -0.354 38.773 39.000 0.210 0.000 1.101 684 F HN 0.326 nan 8.300 nan 0.000 0.585 685 G N -1.814 107.033 108.800 0.079 0.000 2.759 685 G HA2 -0.038 3.922 3.960 0.000 0.000 0.208 685 G HA3 -0.038 3.922 3.960 0.000 0.000 0.208 685 G C 1.533 176.429 174.900 -0.006 0.000 1.076 685 G CA 0.601 45.719 45.100 0.031 0.000 0.789 685 G HN 0.333 nan 8.290 nan 0.000 0.546 686 S N 0.197 115.870 115.700 -0.045 0.000 2.421 686 S HA 0.084 4.554 4.470 0.000 0.000 0.224 686 S C 0.816 175.396 174.600 -0.033 0.000 1.035 686 S CA 0.161 58.336 58.200 -0.042 0.000 0.953 686 S CB -0.198 62.961 63.200 -0.067 0.000 0.810 686 S HN 0.239 nan 8.310 nan 0.000 0.497 687 N N 0.902 119.571 118.700 -0.052 0.000 2.458 687 N HA 0.339 5.080 4.740 0.000 0.000 0.270 687 N C 0.809 176.309 175.510 -0.017 0.000 1.102 687 N CA 0.123 53.144 53.050 -0.048 0.000 0.967 687 N CB 1.212 39.643 38.487 -0.094 0.000 1.078 687 N HN 0.096 nan 8.380 nan 0.000 0.471 688 S N 1.830 117.525 115.700 -0.008 0.000 2.370 688 S HA -0.124 4.346 4.470 0.000 0.000 0.226 688 S C 1.673 176.281 174.600 0.013 0.000 1.033 688 S CA 0.939 59.143 58.200 0.006 0.000 1.011 688 S CB -0.065 63.138 63.200 0.004 0.000 0.852 688 S HN 0.478 nan 8.310 nan 0.000 0.457 689 V N 1.974 121.892 119.914 0.007 0.000 2.379 689 V HA -0.085 4.035 4.120 0.000 0.000 0.245 689 V C 2.128 178.246 176.094 0.040 0.000 1.044 689 V CA 1.301 63.611 62.300 0.017 0.000 1.036 689 V CB -0.580 31.248 31.823 0.009 0.000 0.664 689 V HN 0.441 nan 8.190 nan 0.000 0.453 690 L N -0.391 120.853 121.223 0.036 0.000 2.131 690 L HA -0.176 4.164 4.340 0.000 0.000 0.210 690 L C 2.663 179.639 176.870 0.176 0.000 1.092 690 L CA 1.660 56.563 54.840 0.105 0.000 0.759 690 L CB -0.607 41.444 42.059 -0.014 0.000 0.903 690 L HN 0.291 nan 8.230 nan 0.000 0.435 691 R N 0.269 120.835 120.500 0.110 0.000 2.090 691 R HA -0.094 4.246 4.340 0.000 0.000 0.228 691 R C 2.356 178.704 176.300 0.081 0.000 1.110 691 R CA 1.186 57.355 56.100 0.115 0.000 0.973 691 R CB -0.117 30.225 30.300 0.070 0.000 0.869 691 R HN 0.304 nan 8.270 nan 0.000 0.440 692 A N -0.003 122.845 122.820 0.046 0.000 1.969 692 A HA -0.069 4.251 4.320 0.000 0.000 0.218 692 A C 2.098 179.663 177.584 -0.032 0.000 1.169 692 A CA 1.350 53.391 52.037 0.007 0.000 0.635 692 A CB -0.230 18.771 19.000 0.002 0.000 0.810 692 A HN 0.205 nan 8.150 nan 0.000 0.445 693 V N -0.239 119.674 119.914 -0.002 0.000 2.323 693 V HA -0.169 3.951 4.120 0.000 0.000 0.244 693 V C 3.014 179.039 176.094 -0.115 0.000 1.041 693 V CA 1.644 63.893 62.300 -0.085 0.000 1.025 693 V CB -1.458 30.401 31.823 0.062 0.000 0.656 693 V HN 0.568 nan 8.190 nan 0.000 0.451 694 A N 0.031 122.928 122.820 0.129 0.000 1.873 694 A HA -0.308 4.012 4.320 0.000 0.000 0.218 694 A C 2.199 179.810 177.584 0.046 0.000 1.193 694 A CA 2.285 54.469 52.037 0.245 0.000 0.629 694 A CB -0.649 18.597 19.000 0.409 0.000 0.826 694 A HN 0.613 nan 8.150 nan 0.000 0.447 695 E N -0.603 119.612 120.200 0.024 0.000 2.118 695 E HA -0.127 4.223 4.350 0.000 0.000 0.195 695 E C 1.972 178.524 176.600 -0.079 0.000 0.992 695 E CA 1.229 57.626 56.400 -0.005 0.000 0.804 695 E CB -0.253 29.448 29.700 0.002 0.000 0.741 695 E HN 0.424 nan 8.360 nan 0.000 0.458 696 V N 0.432 120.240 119.914 -0.177 0.000 2.343 696 V HA -0.242 3.878 4.120 0.000 0.000 0.247 696 V C 1.580 177.520 176.094 -0.257 0.000 1.051 696 V CA 1.588 63.738 62.300 -0.250 0.000 1.036 696 V CB -0.493 31.106 31.823 -0.374 0.000 0.654 696 V HN 0.299 nan 8.190 nan 0.000 0.451 697 Y N -0.033 120.111 120.300 -0.260 0.000 2.529 697 Y HA 0.318 4.868 4.550 0.000 0.000 0.290 697 Y C 2.085 177.759 175.900 -0.377 0.000 1.177 697 Y CA 0.082 57.925 58.100 -0.430 0.000 1.305 697 Y CB -0.801 37.064 38.460 -0.992 0.000 1.047 697 Y HN 0.209 nan 8.280 nan 0.000 0.522 698 A N -0.656 122.113 122.820 -0.085 0.000 2.169 698 A HA 0.124 4.444 4.320 0.000 0.000 0.210 698 A C 1.332 178.902 177.584 -0.023 0.000 1.168 698 A CA 0.273 52.305 52.037 -0.008 0.000 0.813 698 A CB -0.456 18.582 19.000 0.064 0.000 0.861 698 A HN 0.240 nan 8.150 nan 0.000 0.481 699 S N 0.204 115.888 115.700 -0.028 0.000 2.601 699 S HA 0.283 4.753 4.470 0.000 0.000 0.271 699 S C 1.144 175.738 174.600 -0.010 0.000 1.305 699 S CA 0.156 58.350 58.200 -0.009 0.000 1.022 699 S CB 1.205 64.404 63.200 -0.001 0.000 0.940 699 S HN 0.595 nan 8.310 nan 0.000 0.525 700 S N 0.397 116.107 115.700 0.017 0.000 2.440 700 S HA -0.181 4.289 4.470 0.000 0.000 0.240 700 S C 0.842 175.489 174.600 0.078 0.000 1.014 700 S CA 1.214 59.441 58.200 0.045 0.000 0.980 700 S CB -0.772 62.460 63.200 0.054 0.000 0.775 700 S HN 0.947 nan 8.310 nan 0.000 0.499 701 D N 0.469 120.904 120.400 0.059 0.000 2.462 701 D HA 0.433 5.073 4.640 0.000 0.000 0.221 701 D C 0.787 177.139 176.300 0.087 0.000 1.173 701 D CA 0.137 54.188 54.000 0.084 0.000 0.831 701 D CB -0.025 40.812 40.800 0.063 0.000 1.001 701 D HN 0.395 nan 8.370 nan 0.000 0.499 702 A N -0.518 122.337 122.820 0.058 0.000 2.379 702 A HA 0.144 4.464 4.320 0.000 0.000 0.236 702 A C 1.361 179.033 177.584 0.146 0.000 1.272 702 A CA -0.144 51.945 52.037 0.087 0.000 0.886 702 A CB -0.774 18.255 19.000 0.048 0.000 0.962 702 A HN 0.321 nan 8.150 nan 0.000 0.504 703 H N -0.493 118.650 119.070 0.122 0.000 2.299 703 H HA -0.066 4.490 4.556 0.000 0.000 0.302 703 H C 2.036 177.461 175.328 0.162 0.000 1.078 703 H CA 1.935 58.065 56.048 0.137 0.000 1.323 703 H CB 0.246 30.061 29.762 0.088 0.000 1.381 703 H HN 0.558 nan 8.280 nan 0.000 0.498 704 E N 0.105 120.459 120.200 0.256 0.000 2.150 704 E HA -0.180 4.170 4.350 0.000 0.000 0.193 704 E C 2.089 178.778 176.600 0.147 0.000 0.985 704 E CA 1.242 57.740 56.400 0.164 0.000 0.814 704 E CB 0.170 29.938 29.700 0.113 0.000 0.752 704 E HN 0.413 nan 8.360 nan 0.000 0.466 705 K N 0.066 120.573 120.400 0.179 0.000 2.103 705 K HA -0.148 4.172 4.320 0.000 0.000 0.204 705 K C 1.942 178.657 176.600 0.192 0.000 1.052 705 K CA 1.123 57.519 56.287 0.182 0.000 0.945 705 K CB -0.346 32.275 32.500 0.201 0.000 0.722 705 K HN 0.098 nan 8.250 nan 0.000 0.443 706 F N 1.667 121.654 119.950 0.062 0.000 2.102 706 F HA -0.118 4.409 4.527 0.000 0.000 0.298 706 F C 1.633 177.373 175.800 -0.100 0.000 1.105 706 F CA 1.331 59.206 58.000 -0.209 0.000 1.239 706 F CB -0.342 38.501 39.000 -0.261 0.000 0.991 706 F HN -0.138 nan 8.300 nan 0.000 0.474 707 V N 0.656 120.429 119.914 -0.234 0.000 2.358 707 V HA -0.278 3.842 4.120 0.000 0.000 0.246 707 V C 2.400 178.400 176.094 -0.157 0.000 1.047 707 V CA 2.212 64.344 62.300 -0.280 0.000 1.035 707 V CB -0.797 31.015 31.823 -0.018 0.000 0.658 707 V HN 0.252 nan 8.190 nan 0.000 0.452 708 K N 0.102 120.466 120.400 -0.059 0.000 1.991 708 K HA -0.197 4.123 4.320 0.000 0.000 0.212 708 K C 1.986 178.567 176.600 -0.032 0.000 1.049 708 K CA 2.004 58.285 56.287 -0.010 0.000 0.932 708 K CB -0.378 32.145 32.500 0.038 0.000 0.717 708 K HN 0.390 nan 8.250 nan 0.000 0.441 709 D N -0.087 120.285 120.400 -0.047 0.000 2.149 709 D HA -0.174 4.466 4.640 0.000 0.000 0.198 709 D C 1.632 177.849 176.300 -0.138 0.000 0.990 709 D CA 0.890 54.866 54.000 -0.039 0.000 0.839 709 D CB -0.186 40.652 40.800 0.064 0.000 0.948 709 D HN 0.111 nan 8.370 nan 0.000 0.460 710 F N 1.054 120.721 119.950 -0.473 0.000 2.113 710 F HA -0.187 4.340 4.527 0.000 0.000 0.297 710 F C 2.162 177.854 175.800 -0.179 0.000 1.103 710 F CA 1.004 58.729 58.000 -0.458 0.000 1.248 710 F CB -0.218 38.252 39.000 -0.883 0.000 0.999 710 F HN -0.211 nan 8.300 nan 0.000 0.475 711 V N 0.716 120.616 119.914 -0.023 0.000 2.343 711 V HA -0.302 3.818 4.120 0.000 0.000 0.247 711 V C 2.766 178.848 176.094 -0.021 0.000 1.051 711 V CA 1.742 64.041 62.300 -0.001 0.000 1.036 711 V CB -1.585 30.265 31.823 0.046 0.000 0.654 711 V HN 0.502 nan 8.190 nan 0.000 0.451 712 A N 0.158 122.958 122.820 -0.033 0.000 1.883 712 A HA -0.191 4.130 4.320 0.000 0.000 0.217 712 A C 2.433 179.993 177.584 -0.041 0.000 1.186 712 A CA 2.383 54.411 52.037 -0.016 0.000 0.624 712 A CB -0.901 18.099 19.000 -0.000 0.000 0.822 712 A HN 0.591 nan 8.150 nan 0.000 0.444 713 A N -1.585 121.185 122.820 -0.084 0.000 1.933 713 A HA -0.167 4.153 4.320 0.000 0.000 0.218 713 A C 2.109 179.632 177.584 -0.101 0.000 1.175 713 A CA 1.385 53.371 52.037 -0.085 0.000 0.628 713 A CB -0.804 18.143 19.000 -0.088 0.000 0.814 713 A HN 0.879 nan 8.150 nan 0.000 0.444 714 W N 0.694 121.770 121.300 -0.372 0.000 2.407 714 W HA -0.120 4.540 4.660 0.000 0.000 0.305 714 W C 1.678 178.095 176.519 -0.170 0.000 1.196 714 W CA 1.911 59.066 57.345 -0.317 0.000 1.311 714 W CB -0.297 28.866 29.460 -0.494 0.000 1.135 714 W HN 0.178 nan 8.180 nan 0.000 0.514 715 V N 1.842 121.788 119.914 0.053 0.000 2.407 715 V HA -0.325 3.795 4.120 0.000 0.000 0.248 715 V C 2.482 178.484 176.094 -0.153 0.000 1.055 715 V CA 2.454 64.736 62.300 -0.030 0.000 1.049 715 V CB -1.038 30.808 31.823 0.038 0.000 0.662 715 V HN 0.159 nan 8.190 nan 0.000 0.455 716 K N 0.212 120.525 120.400 -0.144 0.000 2.057 716 K HA -0.161 4.159 4.320 0.000 0.000 0.207 716 K C 1.982 178.416 176.600 -0.276 0.000 1.049 716 K CA 1.839 58.020 56.287 -0.176 0.000 0.931 716 K CB -0.268 32.160 32.500 -0.122 0.000 0.714 716 K HN 0.293 nan 8.250 nan 0.000 0.440 717 V N 1.402 121.122 119.914 -0.324 0.000 2.427 717 V HA -0.224 3.896 4.120 0.000 0.000 0.248 717 V C 2.368 178.148 176.094 -0.523 0.000 1.051 717 V CA 1.456 63.487 62.300 -0.448 0.000 1.048 717 V CB -0.371 31.147 31.823 -0.508 0.000 0.666 717 V HN 0.427 nan 8.190 nan 0.000 0.456 718 M N 0.306 119.600 119.600 -0.511 0.000 2.374 718 M HA -0.039 4.441 4.480 0.000 0.000 0.264 718 M C 1.055 177.146 176.300 -0.347 0.000 1.067 718 M CA 1.248 56.295 55.300 -0.422 0.000 1.103 718 M CB -1.059 31.349 32.600 -0.321 0.000 1.402 718 M HN 0.395 nan 8.290 nan 0.000 0.444 719 N N 0.238 118.726 118.700 -0.354 0.000 2.238 719 N HA 0.221 4.961 4.740 0.000 0.000 0.222 719 N C 1.467 176.671 175.510 -0.510 0.000 1.133 719 N CA 0.044 52.876 53.050 -0.364 0.000 0.854 719 N CB 0.260 38.580 38.487 -0.279 0.000 1.041 719 N HN 0.319 nan 8.380 nan 0.000 0.510 720 L N 0.772 121.601 121.223 -0.656 0.000 2.017 720 L HA -0.189 4.151 4.340 0.000 0.000 0.208 720 L C 1.624 177.676 176.870 -1.363 0.000 1.073 720 L CA 1.517 55.727 54.840 -1.050 0.000 0.745 720 L CB -0.144 41.044 42.059 -1.451 0.000 0.894 720 L HN 0.152 nan 8.230 nan 0.000 0.432 721 D N -1.726 118.034 120.400 -1.066 0.000 2.339 721 D HA -0.088 4.552 4.640 0.000 0.000 0.217 721 D C 1.079 176.849 176.300 -0.884 0.000 1.050 721 D CA 0.025 53.420 54.000 -1.010 0.000 0.856 721 D CB -0.195 40.491 40.800 -0.190 0.000 0.922 721 D HN -0.024 nan 8.370 nan 0.000 0.518 722 R N 0.843 120.924 120.500 -0.698 0.000 4.980 722 R HA 0.095 4.435 4.340 0.000 0.000 0.190 722 R C 0.174 176.275 176.300 -0.332 0.000 2.095 722 R CA -0.344 55.519 56.100 -0.395 0.000 1.717 722 R CB -1.605 28.511 30.300 -0.306 0.000 1.337 722 R HN 0.248 nan 8.270 nan 0.000 0.820 723 F N 0.602 120.516 119.950 -0.060 0.000 2.408 723 F HA -0.167 4.360 4.527 0.000 0.000 0.300 723 F C 1.982 177.760 175.800 -0.036 0.000 1.090 723 F CA 1.008 58.984 58.000 -0.039 0.000 1.427 723 F CB -0.196 38.801 39.000 -0.005 0.000 1.070 723 F HN 0.263 nan 8.300 nan 0.000 0.549 724 D N 0.363 120.812 120.400 0.082 0.000 2.312 724 D HA -0.152 4.488 4.640 0.000 0.000 0.211 724 D C 1.962 178.261 176.300 -0.002 0.000 0.964 724 D CA 0.720 54.742 54.000 0.038 0.000 0.877 724 D CB -0.495 40.312 40.800 0.013 0.000 0.924 724 D HN 0.404 nan 8.370 nan 0.000 0.515 725 L N -1.094 120.107 121.223 -0.036 0.000 2.408 725 L HA 0.358 4.698 4.340 0.000 0.000 0.215 725 L C 0.506 177.359 176.870 -0.029 0.000 1.081 725 L CA 0.441 55.252 54.840 -0.049 0.000 0.840 725 L CB 0.441 42.445 42.059 -0.091 0.000 1.002 725 L HN 0.025 nan 8.230 nan 0.000 0.468 726 L N 0.000 121.217 121.223 -0.010 0.000 2.949 726 L HA 0.000 4.340 4.340 0.000 0.000 0.249 726 L CA 0.000 54.846 54.840 0.009 0.000 0.813 726 L CB 0.000 42.049 42.059 -0.017 0.000 0.961 726 L HN 0.000 nan 8.230 nan 0.000 0.502