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_C 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 0.000 176.857 176.870 -0.021 0.000 1.165 432 L CA 0.000 54.816 54.840 -0.040 0.000 0.813 432 L CB 0.000 42.034 42.059 -0.041 0.000 0.961 433 I N -0.642 119.941 120.570 0.023 0.000 2.584 433 I HA 0.032 4.202 4.170 0.000 0.000 0.255 433 I C -0.113 176.083 176.117 0.132 0.000 1.145 433 I CA 0.417 61.750 61.300 0.055 0.000 1.462 433 I CB 0.268 38.305 38.000 0.062 0.000 1.102 433 I HN 0.345 nan 8.210 nan 0.000 0.433 434 W N 3.313 124.583 121.300 -0.049 0.000 2.499 434 W HA 0.410 5.070 4.660 0.000 0.000 0.320 434 W C -1.418 175.071 176.519 -0.051 0.000 1.010 434 W CA -0.560 56.756 57.345 -0.048 0.000 1.267 434 W CB 1.293 30.714 29.460 -0.064 0.000 1.316 434 W HN -0.009 nan 8.180 nan 0.000 0.431 435 Q N 3.902 123.405 119.800 -0.495 0.000 2.333 435 Q HA 0.206 4.546 4.340 0.000 0.000 0.267 435 Q C -0.642 175.049 176.000 -0.516 0.000 1.012 435 Q CA -0.303 55.289 55.803 -0.351 0.000 0.824 435 Q CB 1.968 30.598 28.738 -0.180 0.000 1.290 435 Q HN 0.458 nan 8.270 nan 0.000 0.449 436 D N 4.787 125.082 120.400 -0.175 0.000 2.383 436 D HA 0.216 4.856 4.640 0.000 0.000 0.252 436 D C -2.072 174.223 176.300 -0.008 0.000 1.166 436 D CA -1.003 52.998 54.000 0.002 0.000 0.879 436 D CB 0.847 41.844 40.800 0.327 0.000 1.164 436 D HN 0.209 nan 8.370 nan 0.000 0.462 437 P HA 0.237 nan 4.420 nan 0.000 0.279 437 P C -0.659 176.649 177.300 0.012 0.000 1.239 437 P CA -0.692 62.386 63.100 -0.036 0.000 0.789 437 P CB 0.921 32.583 31.700 -0.064 0.000 0.933 438 L N 5.194 126.423 121.223 0.011 0.000 2.346 438 L HA 0.535 4.875 4.340 0.000 0.000 0.276 438 L C -2.046 174.827 176.870 0.005 0.000 1.006 438 L CA -2.413 52.438 54.840 0.019 0.000 0.817 438 L CB 0.911 42.991 42.059 0.035 0.000 1.272 438 L HN 0.321 nan 8.230 nan 0.000 0.421 439 P HA 0.113 nan 4.420 nan 0.000 0.272 439 P C -0.769 176.529 177.300 -0.004 0.000 1.223 439 P CA -0.551 62.546 63.100 -0.005 0.000 0.784 439 P CB 0.596 32.292 31.700 -0.007 0.000 0.923 440 Q N 2.248 122.041 119.800 -0.011 0.000 2.364 440 Q HA 0.188 4.528 4.340 0.000 0.000 0.267 440 Q C -2.020 173.969 176.000 -0.018 0.000 0.999 440 Q CA -0.986 54.809 55.803 -0.013 0.000 0.886 440 Q CB -0.819 27.907 28.738 -0.020 0.000 1.243 440 Q HN 0.317 nan 8.270 nan 0.000 0.415 441 P HA -0.048 nan 4.420 nan 0.000 0.269 441 P C -0.478 176.785 177.300 -0.063 0.000 1.211 441 P CA 0.594 63.689 63.100 -0.008 0.000 0.781 441 P CB 0.425 32.130 31.700 0.010 0.000 0.877 442 I N -1.464 119.032 120.570 -0.125 0.000 4.526 442 I HA 0.199 4.369 4.170 0.000 0.000 0.330 442 I C -0.255 175.558 176.117 -0.507 0.000 1.323 442 I CA 0.023 61.125 61.300 -0.329 0.000 1.218 442 I CB 0.089 37.810 38.000 -0.465 0.000 1.233 442 I HN 0.212 nan 8.210 nan 0.000 0.430 443 Y N 1.418 121.722 120.300 0.008 0.000 2.425 443 Y HA 0.434 4.984 4.550 0.000 0.000 0.344 443 Y C 0.039 175.949 175.900 0.015 0.000 0.969 443 Y CA -1.020 57.087 58.100 0.013 0.000 1.052 443 Y CB 1.336 39.806 38.460 0.017 0.000 1.215 443 Y HN -0.086 nan 8.280 nan 0.000 0.451 444 N N 4.977 123.776 118.700 0.165 0.000 2.776 444 N HA 0.250 4.990 4.740 0.000 0.000 0.245 444 N C -3.144 172.432 175.510 0.109 0.000 1.121 444 N CA -1.607 51.509 53.050 0.110 0.000 0.852 444 N CB 1.307 39.832 38.487 0.063 0.000 1.142 444 N HN 0.402 nan 8.380 nan 0.000 0.514 445 P HA 0.091 nan 4.420 nan 0.000 0.271 445 P C 0.221 177.564 177.300 0.073 0.000 1.216 445 P CA 0.039 63.191 63.100 0.086 0.000 0.771 445 P CB 0.832 32.580 31.700 0.080 0.000 0.864 446 T N -0.522 114.066 114.554 0.057 0.000 2.816 446 T HA 0.126 4.476 4.350 0.000 0.000 0.282 446 T C 1.345 176.075 174.700 0.051 0.000 0.993 446 T CA -0.586 61.543 62.100 0.049 0.000 0.994 446 T CB 0.786 69.675 68.868 0.036 0.000 1.025 446 T HN 0.262 nan 8.240 nan 0.000 0.529 447 E N 0.605 120.835 120.200 0.049 0.000 2.055 447 E HA -0.275 4.075 4.350 0.000 0.000 0.209 447 E C 2.033 178.652 176.600 0.032 0.000 1.036 447 E CA 2.002 58.430 56.400 0.047 0.000 0.849 447 E CB -0.770 28.951 29.700 0.036 0.000 0.767 447 E HN 0.859 nan 8.360 nan 0.000 0.461 448 Q N 1.089 120.902 119.800 0.022 0.000 2.152 448 Q HA -0.174 4.166 4.340 0.000 0.000 0.206 448 Q C 1.514 177.521 176.000 0.011 0.000 0.985 448 Q CA 1.945 57.755 55.803 0.012 0.000 0.863 448 Q CB -0.239 28.504 28.738 0.007 0.000 0.904 448 Q HN 0.207 nan 8.270 nan 0.000 0.422 449 D N -0.480 119.930 120.400 0.017 0.000 2.117 449 D HA -0.119 4.521 4.640 0.000 0.000 0.198 449 D C 1.717 178.015 176.300 -0.004 0.000 0.982 449 D CA 0.946 54.951 54.000 0.009 0.000 0.828 449 D CB -0.074 40.735 40.800 0.015 0.000 0.967 449 D HN 0.286 nan 8.370 nan 0.000 0.464 450 I N 1.150 121.723 120.570 0.004 0.000 2.264 450 I HA -0.198 3.972 4.170 0.000 0.000 0.248 450 I C 2.495 178.588 176.117 -0.039 0.000 1.111 450 I CA 0.759 62.040 61.300 -0.031 0.000 1.382 450 I CB -0.892 37.116 38.000 0.014 0.000 1.060 450 I HN 0.048 nan 8.210 nan 0.000 0.418 451 I N 0.431 120.999 120.570 -0.003 0.000 2.286 451 I HA -0.251 3.919 4.170 0.000 0.000 0.245 451 I C 2.123 178.261 176.117 0.035 0.000 1.104 451 I CA 1.019 62.326 61.300 0.011 0.000 1.397 451 I CB -0.388 37.617 38.000 0.008 0.000 1.072 451 I HN 0.161 nan 8.210 nan 0.000 0.417 452 D N 1.204 121.621 120.400 0.029 0.000 2.104 452 D HA -0.179 4.461 4.640 0.000 0.000 0.194 452 D C 2.293 178.638 176.300 0.075 0.000 0.994 452 D CA 1.462 55.500 54.000 0.064 0.000 0.830 452 D CB -0.434 40.386 40.800 0.035 0.000 0.959 452 D HN 0.288 nan 8.370 nan 0.000 0.452 453 L N 0.535 121.761 121.223 0.004 0.000 2.056 453 L HA -0.125 4.215 4.340 0.000 0.000 0.207 453 L C 2.397 179.242 176.870 -0.043 0.000 1.078 453 L CA 1.090 55.907 54.840 -0.038 0.000 0.749 453 L CB -0.340 41.663 42.059 -0.092 0.000 0.901 453 L HN -0.071 nan 8.230 nan 0.000 0.433 454 K N -0.430 119.946 120.400 -0.040 0.000 2.074 454 K HA -0.235 4.085 4.320 0.000 0.000 0.209 454 K C 2.108 178.727 176.600 0.032 0.000 1.048 454 K CA 1.827 58.094 56.287 -0.033 0.000 0.926 454 K CB -0.312 32.175 32.500 -0.022 0.000 0.713 454 K HN 0.142 nan 8.250 nan 0.000 0.444 455 F N 1.285 121.202 119.950 -0.055 0.000 2.128 455 F HA -0.073 4.454 4.527 0.000 0.000 0.295 455 F C 2.129 177.905 175.800 -0.040 0.000 1.100 455 F CA 1.200 59.175 58.000 -0.040 0.000 1.260 455 F CB -0.423 38.558 39.000 -0.032 0.000 1.009 455 F HN -0.053 nan 8.300 nan 0.000 0.476 456 A N 0.565 123.315 122.820 -0.117 0.000 2.024 456 A HA -0.140 4.180 4.320 0.000 0.000 0.220 456 A C 2.288 179.743 177.584 -0.216 0.000 1.164 456 A CA 1.915 53.822 52.037 -0.215 0.000 0.643 456 A CB -1.199 17.760 19.000 -0.069 0.000 0.806 456 A HN 0.542 nan 8.150 nan 0.000 0.451 457 I N -0.801 119.674 120.570 -0.158 0.000 2.406 457 I HA -0.150 4.020 4.170 0.000 0.000 0.249 457 I C 2.802 178.826 176.117 -0.155 0.000 1.122 457 I CA 0.834 62.056 61.300 -0.131 0.000 1.431 457 I CB -0.193 37.749 38.000 -0.097 0.000 1.087 457 I HN 0.328 nan 8.210 nan 0.000 0.424 458 A N -0.194 122.514 122.820 -0.188 0.000 2.067 458 A HA -0.226 4.094 4.320 0.000 0.000 0.219 458 A C 1.817 179.238 177.584 -0.271 0.000 1.158 458 A CA 1.786 53.713 52.037 -0.183 0.000 0.661 458 A CB -0.423 18.509 19.000 -0.114 0.000 0.801 458 A HN 0.350 nan 8.150 nan 0.000 0.452 459 D N -0.770 119.367 120.400 -0.438 0.000 2.339 459 D HA -0.018 4.622 4.640 0.000 0.000 0.217 459 D C 1.971 178.130 176.300 -0.236 0.000 1.050 459 D CA 0.954 54.700 54.000 -0.422 0.000 0.856 459 D CB 0.092 40.487 40.800 -0.675 0.000 0.922 459 D HN 0.458 nan 8.370 nan 0.000 0.518 460 S N -1.575 114.013 115.700 -0.186 0.000 2.527 460 S HA 0.211 4.681 4.470 0.000 0.000 0.222 460 S C 1.889 176.436 174.600 -0.088 0.000 0.985 460 S CA 0.640 58.764 58.200 -0.126 0.000 0.921 460 S CB 0.196 63.332 63.200 -0.106 0.000 0.772 460 S HN 0.279 nan 8.310 nan 0.000 0.529 461 G N 0.773 109.522 108.800 -0.084 0.000 2.175 461 G HA2 -0.219 3.741 3.960 0.000 0.000 0.244 461 G HA3 -0.219 3.741 3.960 0.000 0.000 0.244 461 G C -0.049 174.823 174.900 -0.046 0.000 0.982 461 G CA 0.147 45.211 45.100 -0.059 0.000 0.641 461 G HN 0.533 nan 8.290 nan 0.000 0.527 462 L N 2.485 123.679 121.223 -0.048 0.000 2.367 462 L HA 0.460 4.800 4.340 0.000 0.000 0.275 462 L C 1.456 178.306 176.870 -0.033 0.000 1.129 462 L CA 0.026 54.846 54.840 -0.033 0.000 0.839 462 L CB 1.104 43.145 42.059 -0.029 0.000 1.133 462 L HN 0.432 nan 8.230 nan 0.000 0.453 463 S N 1.657 117.342 115.700 -0.025 0.000 2.584 463 S HA 0.129 4.599 4.470 0.000 0.000 0.270 463 S C 1.410 175.994 174.600 -0.027 0.000 1.346 463 S CA -0.999 57.184 58.200 -0.027 0.000 1.018 463 S CB 1.380 64.567 63.200 -0.022 0.000 0.899 463 S HN 0.362 nan 8.310 nan 0.000 0.542 464 V N 1.689 121.580 119.914 -0.038 0.000 2.252 464 V HA -0.273 3.847 4.120 0.000 0.000 0.255 464 V C 2.896 178.969 176.094 -0.036 0.000 1.071 464 V CA 2.657 64.927 62.300 -0.050 0.000 1.050 464 V CB -1.569 30.215 31.823 -0.066 0.000 0.654 464 V HN 1.067 nan 8.190 nan 0.000 0.448 465 S N -1.103 114.579 115.700 -0.029 0.000 2.370 465 S HA -0.261 4.209 4.470 0.000 0.000 0.226 465 S C 1.979 176.589 174.600 0.016 0.000 1.033 465 S CA 2.121 60.312 58.200 -0.016 0.000 1.011 465 S CB -0.271 62.917 63.200 -0.020 0.000 0.852 465 S HN 0.734 nan 8.310 nan 0.000 0.457 466 E N 0.145 120.353 120.200 0.013 0.000 2.106 466 E HA -0.019 4.331 4.350 0.000 0.000 0.192 466 E C 2.055 178.685 176.600 0.051 0.000 0.984 466 E CA 1.127 57.544 56.400 0.030 0.000 0.806 466 E CB -0.113 29.593 29.700 0.011 0.000 0.750 466 E HN 0.485 nan 8.360 nan 0.000 0.458 467 L N -0.182 121.063 121.223 0.037 0.000 2.109 467 L HA -0.134 4.206 4.340 0.000 0.000 0.207 467 L C 2.309 179.255 176.870 0.127 0.000 1.086 467 L CA 0.486 55.361 54.840 0.058 0.000 0.760 467 L CB -0.210 41.860 42.059 0.018 0.000 0.910 467 L HN 0.054 nan 8.230 nan 0.000 0.437 468 V N -0.713 119.262 119.914 0.101 0.000 2.295 468 V HA -0.266 3.854 4.120 0.000 0.000 0.246 468 V C 2.533 178.841 176.094 0.356 0.000 1.049 468 V CA 2.024 64.435 62.300 0.185 0.000 1.024 468 V CB -0.395 31.438 31.823 0.017 0.000 0.648 468 V HN 0.406 nan 8.190 nan 0.000 0.447 469 S N 0.507 116.348 115.700 0.235 0.000 2.354 469 S HA -0.207 4.263 4.470 0.000 0.000 0.219 469 S C 2.066 176.831 174.600 0.274 0.000 1.035 469 S CA 1.714 60.072 58.200 0.262 0.000 1.037 469 S CB -0.639 62.662 63.200 0.169 0.000 0.956 469 S HN 0.393 nan 8.310 nan 0.000 0.428 470 V N 2.776 122.800 119.914 0.184 0.000 2.277 470 V HA -0.338 3.782 4.120 0.000 0.000 0.255 470 V C 2.633 178.819 176.094 0.153 0.000 1.074 470 V CA 2.022 64.405 62.300 0.138 0.000 1.058 470 V CB -1.695 30.184 31.823 0.093 0.000 0.656 470 V HN 0.586 nan 8.190 nan 0.000 0.449 471 A N -0.904 122.054 122.820 0.231 0.000 1.929 471 A HA -0.200 4.120 4.320 0.000 0.000 0.216 471 A C 2.102 179.761 177.584 0.125 0.000 1.176 471 A CA 1.585 53.750 52.037 0.212 0.000 0.628 471 A CB -0.682 18.570 19.000 0.420 0.000 0.816 471 A HN 0.776 nan 8.150 nan 0.000 0.444 472 W N 0.765 122.123 121.300 0.097 0.000 2.436 472 W HA -0.034 4.626 4.660 0.000 0.000 0.284 472 W C 2.207 178.735 176.519 0.014 0.000 1.225 472 W CA 1.362 58.701 57.345 -0.011 0.000 1.271 472 W CB -0.204 29.334 29.460 0.130 0.000 1.114 472 W HN 0.423 nan 8.180 nan 0.000 0.559 473 A N 0.413 123.362 122.820 0.214 0.000 1.908 473 A HA -0.283 4.037 4.320 0.000 0.000 0.218 473 A C 2.146 179.714 177.584 -0.027 0.000 1.181 473 A CA 2.644 54.754 52.037 0.123 0.000 0.627 473 A CB -1.316 17.765 19.000 0.136 0.000 0.818 473 A HN 0.318 nan 8.150 nan 0.000 0.445 474 S N -0.604 115.061 115.700 -0.058 0.000 2.371 474 S HA 0.106 4.576 4.470 0.000 0.000 0.224 474 S C 2.084 176.575 174.600 -0.183 0.000 1.029 474 S CA 1.374 59.514 58.200 -0.099 0.000 0.978 474 S CB -0.416 62.743 63.200 -0.068 0.000 0.833 474 S HN 0.831 nan 8.310 nan 0.000 0.466 475 A N 1.079 123.705 122.820 -0.323 0.000 2.016 475 A HA 0.121 4.441 4.320 0.000 0.000 0.217 475 A C 2.203 179.483 177.584 -0.507 0.000 1.162 475 A CA 1.396 53.166 52.037 -0.444 0.000 0.662 475 A CB -0.726 17.900 19.000 -0.623 0.000 0.812 475 A HN 0.796 nan 8.150 nan 0.000 0.450 476 S N -0.376 114.936 115.700 -0.646 0.000 2.631 476 S HA -0.020 4.450 4.470 0.000 0.000 0.217 476 S C 1.292 175.762 174.600 -0.217 0.000 0.958 476 S CA 0.937 58.696 58.200 -0.735 0.000 0.920 476 S CB -0.903 61.567 63.200 -1.217 0.000 0.776 476 S HN 0.631 nan 8.310 nan 0.000 0.517 477 T N -1.471 113.047 114.554 -0.061 0.000 3.129 477 T HA 0.260 4.610 4.350 0.000 0.000 0.251 477 T C 0.106 174.869 174.700 0.104 0.000 1.117 477 T CA -0.586 61.575 62.100 0.102 0.000 1.034 477 T CB -0.758 68.235 68.868 0.208 0.000 0.968 477 T HN 0.395 nan 8.240 nan 0.000 0.526 478 F N 3.507 123.408 119.950 -0.082 0.000 2.495 478 F HA 0.487 5.014 4.527 0.000 0.000 0.365 478 F C 0.092 175.881 175.800 -0.019 0.000 1.090 478 F CA -1.129 56.840 58.000 -0.050 0.000 1.235 478 F CB 0.552 39.483 39.000 -0.116 0.000 1.119 478 F HN -0.192 nan 8.300 nan 0.000 0.562 479 R N 5.155 125.229 120.500 -0.711 0.000 2.246 479 R HA 0.318 4.658 4.340 0.000 0.000 0.332 479 R C 0.168 175.936 176.300 -0.888 0.000 0.974 479 R CA -0.685 55.087 56.100 -0.546 0.000 0.837 479 R CB 0.806 30.916 30.300 -0.317 0.000 1.145 479 R HN 0.891 nan 8.270 nan 0.000 0.467 480 G N 0.305 108.854 108.800 -0.419 0.000 2.491 480 G HA2 0.352 4.312 3.960 0.000 0.000 0.238 480 G HA3 0.352 4.312 3.960 0.000 0.000 0.238 480 G C 0.973 175.806 174.900 -0.111 0.000 1.277 480 G CA 0.535 45.568 45.100 -0.112 0.000 0.851 480 G HN 0.652 nan 8.290 nan 0.000 0.573 481 G N 1.910 110.688 108.800 -0.037 0.000 3.909 481 G HA2 -0.358 3.602 3.960 0.000 0.000 0.218 481 G HA3 -0.358 3.602 3.960 0.000 0.000 0.218 481 G C 1.137 175.993 174.900 -0.074 0.000 1.404 481 G CA 0.875 45.953 45.100 -0.036 0.000 0.905 481 G HN 0.634 nan 8.290 nan 0.000 0.589 482 D N 1.653 121.987 120.400 -0.111 0.000 2.182 482 D HA -0.007 4.633 4.640 0.000 0.000 0.201 482 D C 1.373 177.603 176.300 -0.117 0.000 0.986 482 D CA 1.398 55.334 54.000 -0.107 0.000 0.847 482 D CB -0.298 40.428 40.800 -0.123 0.000 0.942 482 D HN 0.768 nan 8.370 nan 0.000 0.467 483 K N 0.055 120.340 120.400 -0.191 0.000 3.035 483 K HA -0.232 4.088 4.320 0.000 0.000 0.262 483 K C -0.107 176.491 176.600 -0.003 0.000 1.024 483 K CA 0.537 56.767 56.287 -0.095 0.000 0.748 483 K CB -1.034 31.443 32.500 -0.038 0.000 1.247 483 K HN 0.307 nan 8.250 nan 0.000 0.482 484 R N 0.025 120.449 120.500 -0.127 0.000 2.691 484 R HA 0.677 5.017 4.340 0.000 0.000 0.259 484 R C 0.806 177.076 176.300 -0.051 0.000 1.048 484 R CA -0.462 55.628 56.100 -0.015 0.000 1.086 484 R CB 1.202 31.474 30.300 -0.046 0.000 1.166 484 R HN 0.269 nan 8.270 nan 0.000 0.526 485 G N -0.640 108.248 108.800 0.145 0.000 2.828 485 G HA2 0.213 4.173 3.960 0.000 0.000 0.463 485 G HA3 0.213 4.173 3.960 0.000 0.000 0.463 485 G C 0.015 175.098 174.900 0.304 0.000 1.394 485 G CA -0.424 44.807 45.100 0.218 0.000 0.862 485 G HN 1.154 nan 8.290 nan 0.000 0.540 486 G N -2.564 106.362 108.800 0.211 0.000 2.384 486 G HA2 0.525 4.485 3.960 0.000 0.000 0.668 486 G HA3 0.525 4.485 3.960 0.000 0.000 0.668 486 G C 0.811 175.686 174.900 -0.041 0.000 1.280 486 G CA 0.950 46.093 45.100 0.071 0.000 0.992 486 G HN 2.409 nan 8.290 nan 0.000 0.512 487 A N -0.437 122.303 122.820 -0.133 0.000 2.081 487 A HA 0.344 4.664 4.320 0.000 0.000 0.214 487 A C 1.235 178.765 177.584 -0.090 0.000 1.158 487 A CA 1.518 53.477 52.037 -0.130 0.000 0.724 487 A CB -0.314 18.582 19.000 -0.174 0.000 0.826 487 A HN 1.051 nan 8.150 nan 0.000 0.463 488 N N -0.193 118.452 118.700 -0.092 0.000 2.454 488 N HA 0.325 5.065 4.740 0.000 0.000 0.254 488 N C 1.146 176.640 175.510 -0.026 0.000 1.228 488 N CA 1.584 54.597 53.050 -0.062 0.000 0.900 488 N CB 0.572 39.013 38.487 -0.075 0.000 1.089 488 N HN 0.611 nan 8.380 nan 0.000 0.449 489 G N 2.022 110.809 108.800 -0.022 0.000 2.234 489 G HA2 -0.166 3.794 3.960 0.000 0.000 0.235 489 G HA3 -0.166 3.794 3.960 0.000 0.000 0.235 489 G C 0.455 175.324 174.900 -0.051 0.000 0.997 489 G CA 0.432 45.517 45.100 -0.025 0.000 0.623 489 G HN 1.655 nan 8.290 nan 0.000 0.514 490 A N -0.565 122.222 122.820 -0.055 0.000 2.704 490 A HA -0.270 4.050 4.320 0.000 0.000 0.299 490 A C 1.604 179.119 177.584 -0.115 0.000 1.507 490 A CA 2.281 54.276 52.037 -0.070 0.000 0.776 490 A CB -1.604 17.369 19.000 -0.045 0.000 1.027 490 A HN 1.037 nan 8.150 nan 0.000 0.475 491 R N -1.180 119.224 120.500 -0.159 0.000 2.237 491 R HA -0.059 4.281 4.340 0.000 0.000 0.219 491 R C 2.023 178.147 176.300 -0.293 0.000 1.080 491 R CA 1.177 57.115 56.100 -0.271 0.000 0.995 491 R CB -0.292 29.762 30.300 -0.410 0.000 0.875 491 R HN 0.683 nan 8.270 nan 0.000 0.462 492 L N 1.137 122.229 121.223 -0.217 0.000 2.051 492 L HA -0.220 4.120 4.340 0.000 0.000 0.214 492 L C 2.167 178.924 176.870 -0.188 0.000 1.076 492 L CA 2.082 56.800 54.840 -0.204 0.000 0.758 492 L CB -0.551 41.440 42.059 -0.114 0.000 0.890 492 L HN 0.133 nan 8.230 nan 0.000 0.433 493 A N -1.213 121.520 122.820 -0.146 0.000 2.121 493 A HA 0.097 4.417 4.320 0.000 0.000 0.218 493 A C 1.124 178.624 177.584 -0.140 0.000 1.154 493 A CA 0.632 52.599 52.037 -0.116 0.000 0.679 493 A CB -0.649 18.301 19.000 -0.082 0.000 0.795 493 A HN 0.416 nan 8.150 nan 0.000 0.458 494 L N -0.795 120.310 121.223 -0.196 0.000 2.352 494 L HA 0.440 4.780 4.340 0.000 0.000 0.269 494 L C 0.179 176.897 176.870 -0.253 0.000 1.034 494 L CA -0.856 53.862 54.840 -0.203 0.000 0.806 494 L CB 0.986 42.910 42.059 -0.224 0.000 1.244 494 L HN 0.209 nan 8.230 nan 0.000 0.447 495 M N 2.382 121.867 119.600 -0.191 0.000 2.252 495 M HA 0.063 4.543 4.480 0.000 0.000 0.333 495 M C -1.465 174.693 176.300 -0.236 0.000 1.111 495 M CA -0.966 54.219 55.300 -0.190 0.000 1.140 495 M CB 0.367 32.911 32.600 -0.092 0.000 1.538 495 M HN 0.359 nan 8.290 nan 0.000 0.448 496 P HA -0.039 nan 4.420 nan 0.000 0.240 496 P C 0.527 177.404 177.300 -0.706 0.000 1.190 496 P CA 0.955 63.910 63.100 -0.242 0.000 0.781 496 P CB 0.079 31.815 31.700 0.059 0.000 0.931 497 Q N 0.092 119.280 119.800 -1.020 0.000 2.181 497 Q HA -0.136 4.204 4.340 0.000 0.000 0.205 497 Q C 2.301 177.857 176.000 -0.741 0.000 0.980 497 Q CA 1.068 55.969 55.803 -1.503 0.000 0.862 497 Q CB -0.448 27.623 28.738 -1.110 0.000 0.905 497 Q HN 0.241 nan 8.270 nan 0.000 0.429 498 R N 0.515 120.763 120.500 -0.421 0.000 2.316 498 R HA -0.107 4.233 4.340 0.000 0.000 0.202 498 R C 0.244 176.481 176.300 -0.106 0.000 1.029 498 R CA 0.818 56.797 56.100 -0.202 0.000 1.018 498 R CB 0.365 30.579 30.300 -0.144 0.000 0.888 498 R HN 0.193 nan 8.270 nan 0.000 0.471 499 D N -1.357 118.974 120.400 -0.114 0.000 2.441 499 D HA -0.003 4.637 4.640 0.000 0.000 0.210 499 D C -0.524 175.883 176.300 0.178 0.000 1.102 499 D CA -0.002 54.015 54.000 0.029 0.000 0.840 499 D CB 0.108 40.929 40.800 0.036 0.000 0.990 499 D HN 0.056 nan 8.370 nan 0.000 0.505 500 W N 2.952 124.254 121.300 0.003 0.000 2.489 500 W HA 0.037 4.697 4.660 0.000 0.000 0.327 500 W C 1.309 177.811 176.519 -0.028 0.000 1.436 500 W CA -0.850 56.486 57.345 -0.015 0.000 1.315 500 W CB 0.066 29.502 29.460 -0.041 0.000 1.373 500 W HN -0.060 nan 8.180 nan 0.000 0.557 501 D N 2.152 122.673 120.400 0.201 0.000 2.200 501 D HA -0.203 4.437 4.640 0.000 0.000 0.192 501 D C 1.978 178.293 176.300 0.025 0.000 1.008 501 D CA 1.716 55.798 54.000 0.137 0.000 0.872 501 D CB -0.285 40.617 40.800 0.170 0.000 0.923 501 D HN 0.196 nan 8.370 nan 0.000 0.447 502 V N 0.988 120.712 119.914 -0.318 0.000 2.970 502 V HA -0.114 4.006 4.120 0.000 0.000 0.260 502 V C 1.378 177.467 176.094 -0.007 0.000 1.100 502 V CA 1.114 63.028 62.300 -0.644 0.000 1.122 502 V CB -0.276 30.882 31.823 -1.108 0.000 0.721 502 V HN 0.191 nan 8.190 nan 0.000 0.483 503 N N -0.126 118.644 118.700 0.116 0.000 2.230 503 N HA 0.243 4.983 4.740 0.000 0.000 0.202 503 N C 1.677 177.266 175.510 0.131 0.000 1.119 503 N CA 0.766 53.904 53.050 0.146 0.000 0.851 503 N CB 0.700 39.259 38.487 0.121 0.000 0.990 503 N HN 0.416 nan 8.380 nan 0.000 0.497 504 A N 1.194 124.107 122.820 0.156 0.000 1.883 504 A HA -0.093 4.227 4.320 0.000 0.000 0.217 504 A C 2.322 179.959 177.584 0.088 0.000 1.186 504 A CA 2.049 54.158 52.037 0.121 0.000 0.624 504 A CB -0.607 18.479 19.000 0.142 0.000 0.822 504 A HN 0.293 nan 8.150 nan 0.000 0.444 505 A N -0.337 122.539 122.820 0.092 0.000 1.855 505 A HA 0.226 4.546 4.320 0.000 0.000 0.215 505 A C 2.557 180.179 177.584 0.062 0.000 1.191 505 A CA 2.092 54.161 52.037 0.053 0.000 0.613 505 A CB -1.229 17.783 19.000 0.019 0.000 0.829 505 A HN 1.171 nan 8.150 nan 0.000 0.442 506 A N -0.733 122.143 122.820 0.093 0.000 1.948 506 A HA -0.087 4.233 4.320 0.000 0.000 0.220 506 A C 2.154 179.775 177.584 0.062 0.000 1.177 506 A CA 1.901 53.994 52.037 0.094 0.000 0.636 506 A CB -0.949 18.132 19.000 0.135 0.000 0.815 506 A HN 0.473 nan 8.150 nan 0.000 0.449 507 V N -0.214 119.730 119.914 0.049 0.000 3.141 507 V HA -0.153 3.967 4.120 0.000 0.000 0.265 507 V C 2.389 178.491 176.094 0.014 0.000 1.126 507 V CA 1.546 63.859 62.300 0.021 0.000 1.141 507 V CB -0.802 31.028 31.823 0.011 0.000 0.743 507 V HN 0.530 nan 8.190 nan 0.000 0.492 508 R N 0.034 120.546 120.500 0.021 0.000 2.237 508 R HA -0.009 4.331 4.340 0.000 0.000 0.219 508 R C 2.153 178.458 176.300 0.007 0.000 1.080 508 R CA 1.076 57.184 56.100 0.013 0.000 0.995 508 R CB -0.276 30.033 30.300 0.015 0.000 0.875 508 R HN 0.509 nan 8.270 nan 0.000 0.462 509 A N 0.696 123.524 122.820 0.012 0.000 2.167 509 A HA 0.002 4.322 4.320 0.000 0.000 0.214 509 A C 1.962 179.545 177.584 -0.002 0.000 1.151 509 A CA 0.509 52.550 52.037 0.007 0.000 0.735 509 A CB -0.167 18.845 19.000 0.019 0.000 0.802 509 A HN 0.177 nan 8.150 nan 0.000 0.467 510 L N -0.484 120.737 121.223 -0.003 0.000 2.044 510 L HA -0.081 4.259 4.340 0.000 0.000 0.205 510 L C -0.476 176.384 176.870 -0.016 0.000 1.075 510 L CA 1.317 56.150 54.840 -0.012 0.000 0.747 510 L CB -1.236 40.813 42.059 -0.017 0.000 0.903 510 L HN 0.215 nan 8.230 nan 0.000 0.435 511 P HA -0.170 nan 4.420 nan 0.000 0.214 511 P C 1.929 179.218 177.300 -0.019 0.000 1.163 511 P CA 1.334 64.425 63.100 -0.015 0.000 0.889 511 P CB 0.022 31.715 31.700 -0.012 0.000 0.790 512 V N -0.637 119.265 119.914 -0.020 0.000 2.324 512 V HA -0.244 3.876 4.120 0.000 0.000 0.250 512 V C 2.424 178.498 176.094 -0.033 0.000 1.060 512 V CA 1.756 64.040 62.300 -0.027 0.000 1.042 512 V CB -1.276 30.530 31.823 -0.030 0.000 0.650 512 V HN 0.099 nan 8.190 nan 0.000 0.450 513 L N -0.740 120.465 121.223 -0.029 0.000 2.179 513 L HA -0.103 4.237 4.340 0.000 0.000 0.208 513 L C 2.497 179.344 176.870 -0.037 0.000 1.096 513 L CA 1.305 56.125 54.840 -0.034 0.000 0.779 513 L CB -0.533 41.511 42.059 -0.025 0.000 0.922 513 L HN 0.360 nan 8.230 nan 0.000 0.443 514 E N 0.219 120.401 120.200 -0.030 0.000 2.107 514 E HA -0.217 4.133 4.350 0.000 0.000 0.191 514 E C 2.118 178.701 176.600 -0.028 0.000 0.982 514 E CA 0.767 57.150 56.400 -0.028 0.000 0.809 514 E CB 0.121 29.808 29.700 -0.022 0.000 0.756 514 E HN 0.277 nan 8.360 nan 0.000 0.459 515 K N 0.938 121.322 120.400 -0.027 0.000 2.026 515 K HA -0.177 4.143 4.320 0.000 0.000 0.208 515 K C 2.054 178.634 176.600 -0.033 0.000 1.048 515 K CA 1.166 57.438 56.287 -0.025 0.000 0.929 515 K CB -0.090 32.396 32.500 -0.024 0.000 0.713 515 K HN 0.041 nan 8.250 nan 0.000 0.439 516 I N 1.538 122.083 120.570 -0.043 0.000 2.099 516 I HA -0.351 3.819 4.170 0.000 0.000 0.239 516 I C 2.649 178.728 176.117 -0.063 0.000 1.066 516 I CA 1.754 63.022 61.300 -0.053 0.000 1.324 516 I CB -0.403 37.560 38.000 -0.062 0.000 1.037 516 I HN 0.347 nan 8.210 nan 0.000 0.401 517 Q N 1.268 121.022 119.800 -0.076 0.000 2.234 517 Q HA -0.238 4.102 4.340 0.000 0.000 0.206 517 Q C 1.877 177.823 176.000 -0.091 0.000 0.980 517 Q CA 1.794 57.529 55.803 -0.114 0.000 0.869 517 Q CB -0.395 28.262 28.738 -0.135 0.000 0.912 517 Q HN 0.359 nan 8.270 nan 0.000 0.436 518 K N -0.033 120.340 120.400 -0.045 0.000 2.137 518 K HA -0.049 4.271 4.320 0.000 0.000 0.202 518 K C 1.965 178.560 176.600 -0.007 0.000 1.052 518 K CA 1.199 57.478 56.287 -0.013 0.000 0.961 518 K CB 0.160 32.658 32.500 -0.003 0.000 0.741 518 K HN 0.479 nan 8.250 nan 0.000 0.452 519 E N 0.425 120.616 120.200 -0.016 0.000 2.072 519 E HA -0.150 4.200 4.350 0.000 0.000 0.191 519 E C 2.051 178.644 176.600 -0.011 0.000 0.985 519 E CA 1.109 57.503 56.400 -0.009 0.000 0.801 519 E CB -0.175 29.519 29.700 -0.010 0.000 0.750 519 E HN 0.121 nan 8.360 nan 0.000 0.452 520 S N 0.408 116.088 115.700 -0.033 0.000 2.343 520 S HA -0.084 4.386 4.470 0.000 0.000 0.219 520 S C 1.801 176.380 174.600 -0.036 0.000 1.033 520 S CA 1.978 60.153 58.200 -0.041 0.000 1.014 520 S CB -0.692 62.462 63.200 -0.078 0.000 0.915 520 S HN 0.482 nan 8.310 nan 0.000 0.435 521 G N 0.621 109.379 108.800 -0.070 0.000 2.198 521 G HA2 -0.242 3.718 3.960 0.000 0.000 0.260 521 G HA3 -0.242 3.718 3.960 0.000 0.000 0.260 521 G C 0.659 175.537 174.900 -0.037 0.000 1.025 521 G CA 0.908 46.005 45.100 -0.005 0.000 0.769 521 G HN 0.552 nan 8.290 nan 0.000 0.507 522 K N -0.563 119.702 120.400 -0.225 0.000 2.365 522 K HA 0.685 5.005 4.320 0.000 0.000 0.195 522 K C 1.121 177.556 176.600 -0.275 0.000 1.079 522 K CA 1.298 57.510 56.287 -0.125 0.000 0.979 522 K CB 0.696 33.164 32.500 -0.053 0.000 0.929 522 K HN 1.106 nan 8.250 nan 0.000 0.523 523 A N -0.130 122.321 122.820 -0.615 0.000 2.587 523 A HA 0.581 4.901 4.320 0.000 0.000 0.293 523 A C -0.674 176.595 177.584 -0.524 0.000 1.087 523 A CA -0.589 51.214 52.037 -0.391 0.000 0.692 523 A CB 0.958 19.886 19.000 -0.120 0.000 1.291 523 A HN 0.095 nan 8.150 nan 0.000 0.407 524 S N 0.159 115.787 115.700 -0.120 0.000 2.576 524 S HA 0.241 4.711 4.470 0.000 0.000 0.272 524 S C 1.073 175.641 174.600 -0.054 0.000 1.352 524 S CA 0.171 58.365 58.200 -0.010 0.000 1.021 524 S CB 0.414 63.680 63.200 0.111 0.000 0.887 524 S HN 1.516 nan 8.310 nan 0.000 0.542 525 L N 2.301 123.507 121.223 -0.028 0.000 2.042 525 L HA 0.011 4.351 4.340 0.000 0.000 0.210 525 L C 2.654 179.522 176.870 -0.003 0.000 1.076 525 L CA 2.373 57.198 54.840 -0.025 0.000 0.749 525 L CB -1.623 40.426 42.059 -0.018 0.000 0.893 525 L HN 0.966 nan 8.230 nan 0.000 0.432 526 A N -0.832 121.993 122.820 0.008 0.000 1.892 526 A HA -0.294 4.026 4.320 0.000 0.000 0.218 526 A C 2.072 179.686 177.584 0.050 0.000 1.188 526 A CA 2.227 54.270 52.037 0.010 0.000 0.631 526 A CB -0.952 18.049 19.000 0.000 0.000 0.822 526 A HN 0.529 nan 8.150 nan 0.000 0.447 527 D N -0.424 120.026 120.400 0.083 0.000 2.117 527 D HA -0.047 4.593 4.640 0.000 0.000 0.198 527 D C 1.776 178.176 176.300 0.167 0.000 0.982 527 D CA 0.912 55.041 54.000 0.215 0.000 0.828 527 D CB -0.259 40.675 40.800 0.224 0.000 0.967 527 D HN 0.507 nan 8.370 nan 0.000 0.464 528 I N 0.343 120.934 120.570 0.035 0.000 2.493 528 I HA -0.174 3.996 4.170 0.000 0.000 0.254 528 I C 2.076 178.192 176.117 -0.002 0.000 1.160 528 I CA 0.495 61.777 61.300 -0.030 0.000 1.445 528 I CB 0.029 37.992 38.000 -0.061 0.000 1.086 528 I HN 0.013 nan 8.210 nan 0.000 0.433 529 I N -0.319 120.270 120.570 0.032 0.000 2.333 529 I HA -0.189 3.981 4.170 0.000 0.000 0.246 529 I C 2.346 178.519 176.117 0.093 0.000 1.106 529 I CA 0.920 62.245 61.300 0.043 0.000 1.411 529 I CB -0.120 37.894 38.000 0.022 0.000 1.082 529 I HN -0.025 nan 8.210 nan 0.000 0.420 530 V N 0.625 120.624 119.914 0.141 0.000 2.667 530 V HA -0.211 3.909 4.120 0.000 0.000 0.252 530 V C 2.257 178.514 176.094 0.272 0.000 1.065 530 V CA 1.083 63.517 62.300 0.224 0.000 1.083 530 V CB -0.285 31.678 31.823 0.235 0.000 0.692 530 V HN 0.330 nan 8.190 nan 0.000 0.468 531 L N 0.829 122.108 121.223 0.093 0.000 2.109 531 L HA 0.036 4.376 4.340 0.000 0.000 0.207 531 L C 2.512 179.336 176.870 -0.077 0.000 1.086 531 L CA 2.048 56.743 54.840 -0.242 0.000 0.760 531 L CB -1.041 40.718 42.059 -0.501 0.000 0.910 531 L HN 0.226 nan 8.230 nan 0.000 0.437 532 A N -0.287 122.526 122.820 -0.011 0.000 1.869 532 A HA -0.248 4.072 4.320 0.000 0.000 0.218 532 A C 2.388 180.023 177.584 0.085 0.000 1.203 532 A CA 2.187 54.238 52.037 0.024 0.000 0.638 532 A CB -1.729 17.297 19.000 0.042 0.000 0.831 532 A HN 0.511 nan 8.150 nan 0.000 0.450 533 G N -0.784 108.143 108.800 0.212 0.000 2.476 533 G HA2 -0.185 3.775 3.960 0.000 0.000 0.218 533 G HA3 -0.185 3.775 3.960 0.000 0.000 0.218 533 G C 1.532 176.557 174.900 0.207 0.000 1.164 533 G CA 1.534 46.857 45.100 0.372 0.000 0.768 533 G HN 0.411 nan 8.290 nan 0.000 0.560 534 V N 0.554 120.605 119.914 0.229 0.000 2.282 534 V HA -0.210 3.910 4.120 0.000 0.000 0.249 534 V C 3.033 179.118 176.094 -0.016 0.000 1.057 534 V CA 1.707 64.067 62.300 0.099 0.000 1.032 534 V CB -0.701 31.169 31.823 0.078 0.000 0.645 534 V HN 0.256 nan 8.190 nan 0.000 0.447 535 V N 0.864 120.762 119.914 -0.027 0.000 2.490 535 V HA -0.174 3.946 4.120 0.000 0.000 0.250 535 V C 2.533 178.590 176.094 -0.060 0.000 1.061 535 V CA 2.102 64.374 62.300 -0.046 0.000 1.064 535 V CB -1.270 30.522 31.823 -0.051 0.000 0.670 535 V HN 0.630 nan 8.190 nan 0.000 0.461 536 G N -0.516 108.244 108.800 -0.066 0.000 2.394 536 G HA2 -0.145 3.815 3.960 0.000 0.000 0.215 536 G HA3 -0.145 3.815 3.960 0.000 0.000 0.215 536 G C 1.637 176.441 174.900 -0.159 0.000 1.165 536 G CA 1.015 46.059 45.100 -0.094 0.000 0.784 536 G HN 0.376 nan 8.290 nan 0.000 0.535 537 V N 0.837 120.612 119.914 -0.232 0.000 2.358 537 V HA -0.155 3.965 4.120 0.000 0.000 0.246 537 V C 2.670 178.660 176.094 -0.173 0.000 1.047 537 V CA 2.128 64.260 62.300 -0.281 0.000 1.035 537 V CB -0.437 31.131 31.823 -0.425 0.000 0.658 537 V HN 0.459 nan 8.190 nan 0.000 0.452 538 E N 0.109 120.236 120.200 -0.121 0.000 2.015 538 E HA -0.266 4.084 4.350 0.000 0.000 0.191 538 E C 2.243 178.804 176.600 -0.065 0.000 0.991 538 E CA 1.323 57.677 56.400 -0.077 0.000 0.802 538 E CB -0.204 29.469 29.700 -0.045 0.000 0.759 538 E HN 0.415 nan 8.360 nan 0.000 0.447 539 K N 0.842 121.206 120.400 -0.061 0.000 2.077 539 K HA -0.266 4.054 4.320 0.000 0.000 0.213 539 K C 1.997 178.560 176.600 -0.060 0.000 1.051 539 K CA 1.735 57.991 56.287 -0.051 0.000 0.929 539 K CB -0.270 32.198 32.500 -0.053 0.000 0.715 539 K HN 0.155 nan 8.250 nan 0.000 0.451 540 A N 0.308 123.073 122.820 -0.092 0.000 1.877 540 A HA -0.100 4.220 4.320 0.000 0.000 0.216 540 A C 2.322 179.856 177.584 -0.082 0.000 1.186 540 A CA 2.013 53.989 52.037 -0.102 0.000 0.620 540 A CB -1.116 17.785 19.000 -0.165 0.000 0.822 540 A HN 0.441 nan 8.150 nan 0.000 0.443 541 A N -0.335 122.426 122.820 -0.098 0.000 1.859 541 A HA -0.165 4.155 4.320 0.000 0.000 0.217 541 A C 2.447 180.014 177.584 -0.029 0.000 1.198 541 A CA 2.402 54.396 52.037 -0.072 0.000 0.629 541 A CB -1.231 17.715 19.000 -0.089 0.000 0.830 541 A HN 0.484 nan 8.150 nan 0.000 0.446 542 S N -0.175 115.509 115.700 -0.027 0.000 2.387 542 S HA -0.140 4.330 4.470 0.000 0.000 0.230 542 S C 2.126 176.726 174.600 0.001 0.000 1.035 542 S CA 1.301 59.497 58.200 -0.008 0.000 1.014 542 S CB -0.518 62.677 63.200 -0.008 0.000 0.836 542 S HN 0.864 nan 8.310 nan 0.000 0.466 543 A N 0.481 123.296 122.820 -0.008 0.000 2.172 543 A HA 0.307 4.627 4.320 0.000 0.000 0.216 543 A C 1.872 179.466 177.584 0.018 0.000 1.154 543 A CA 1.297 53.333 52.037 -0.002 0.000 0.701 543 A CB -0.429 18.562 19.000 -0.016 0.000 0.789 543 A HN 0.501 nan 8.150 nan 0.000 0.465 544 A N -2.009 120.835 122.820 0.039 0.000 2.430 544 A HA 0.474 4.794 4.320 0.000 0.000 0.243 544 A C 1.471 179.126 177.584 0.119 0.000 1.254 544 A CA 0.881 52.977 52.037 0.098 0.000 0.914 544 A CB -0.605 18.502 19.000 0.177 0.000 0.998 544 A HN 1.761 nan 8.150 nan 0.000 0.515 545 G N -1.110 107.728 108.800 0.064 0.000 2.137 545 G HA2 -0.134 3.826 3.960 0.000 0.000 0.237 545 G HA3 -0.134 3.826 3.960 0.000 0.000 0.237 545 G C -0.417 174.509 174.900 0.043 0.000 1.002 545 G CA 0.305 45.438 45.100 0.055 0.000 0.702 545 G HN 0.374 nan 8.290 nan 0.000 0.515 546 L N 0.437 121.674 121.223 0.023 0.000 2.362 546 L HA 0.823 5.163 4.340 0.000 0.000 0.271 546 L C 0.376 177.241 176.870 -0.007 0.000 1.002 546 L CA -1.034 53.803 54.840 -0.005 0.000 0.818 546 L CB 1.982 44.012 42.059 -0.049 0.000 1.298 546 L HN 0.109 nan 8.230 nan 0.000 0.420 547 S N 3.408 119.107 115.700 -0.003 0.000 2.429 547 S HA 0.833 5.303 4.470 0.000 0.000 0.302 547 S C -0.584 174.019 174.600 0.006 0.000 1.115 547 S CA -0.465 57.737 58.200 0.004 0.000 1.095 547 S CB 0.111 63.319 63.200 0.013 0.000 0.987 547 S HN 0.444 nan 8.310 nan 0.000 0.474 548 I N 2.200 122.775 120.570 0.008 0.000 2.582 548 I HA 0.571 4.741 4.170 0.000 0.000 0.292 548 I C -0.690 175.463 176.117 0.060 0.000 1.066 548 I CA -1.067 60.244 61.300 0.018 0.000 1.053 548 I CB 1.839 39.822 38.000 -0.029 0.000 1.241 548 I HN 0.679 nan 8.210 nan 0.000 0.421 549 H N 5.422 124.493 119.070 0.002 0.000 2.604 549 H HA 0.650 5.206 4.556 0.000 0.000 0.306 549 H C -1.488 173.859 175.328 0.031 0.000 1.075 549 H CA -0.508 55.550 56.048 0.018 0.000 1.357 549 H CB 1.490 31.265 29.762 0.022 0.000 1.426 549 H HN 0.542 nan 8.280 nan 0.000 0.470 550 V N 8.497 128.162 119.914 -0.415 0.000 2.350 550 V HA 0.270 4.390 4.120 0.000 0.000 0.276 550 V C -2.045 173.754 176.094 -0.492 0.000 1.028 550 V CA -1.852 60.255 62.300 -0.322 0.000 0.860 550 V CB 0.804 32.569 31.823 -0.097 0.000 0.990 550 V HN 0.864 nan 8.190 nan 0.000 0.453 551 P HA 0.194 nan 4.420 nan 0.000 0.268 551 P C -0.925 176.403 177.300 0.047 0.000 1.205 551 P CA 0.148 63.131 63.100 -0.195 0.000 0.771 551 P CB 0.342 32.047 31.700 0.008 0.000 0.858 552 F N 2.083 122.022 119.950 -0.018 0.000 2.577 552 F HA 0.724 5.251 4.527 0.000 0.000 0.318 552 F C -1.333 174.474 175.800 0.011 0.000 1.065 552 F CA -0.909 57.092 58.000 0.001 0.000 0.929 552 F CB 1.765 40.774 39.000 0.015 0.000 1.237 552 F HN 0.379 nan 8.300 nan 0.000 0.468 553 A N 6.095 128.304 122.820 -1.018 0.000 2.414 553 A HA 0.685 5.005 4.320 0.000 0.000 0.286 553 A C -3.048 173.999 177.584 -0.895 0.000 1.073 553 A CA -1.456 50.196 52.037 -0.642 0.000 0.727 553 A CB 1.062 19.849 19.000 -0.356 0.000 1.215 553 A HN 0.462 nan 8.150 nan 0.000 0.430 554 P HA 0.656 nan 4.420 nan 0.000 0.279 554 P C 0.715 177.957 177.300 -0.096 0.000 1.276 554 P CA 0.793 63.824 63.100 -0.114 0.000 0.801 554 P CB 1.669 33.472 31.700 0.171 0.000 1.127 555 G N -0.667 108.120 108.800 -0.021 0.000 2.901 555 G HA2 -0.120 3.840 3.960 0.000 0.000 0.194 555 G HA3 -0.120 3.840 3.960 0.000 0.000 0.194 555 G C 0.250 175.143 174.900 -0.011 0.000 1.020 555 G CA -0.503 44.585 45.100 -0.021 0.000 0.787 555 G HN 0.523 nan 8.290 nan 0.000 0.477 556 R N 0.472 120.956 120.500 -0.026 0.000 2.861 556 R HA 0.481 4.821 4.340 0.000 0.000 0.268 556 R C 0.472 176.789 176.300 0.029 0.000 1.027 556 R CA 0.694 56.783 56.100 -0.017 0.000 1.163 556 R CB 0.825 31.106 30.300 -0.031 0.000 1.060 556 R HN 0.736 nan 8.270 nan 0.000 0.483 557 V N -2.325 117.604 119.914 0.025 0.000 3.102 557 V HA 0.416 4.536 4.120 0.000 0.000 0.312 557 V C -1.057 175.057 176.094 0.033 0.000 1.135 557 V CA -1.300 61.030 62.300 0.049 0.000 1.022 557 V CB 2.365 34.208 31.823 0.034 0.000 1.056 557 V HN 0.516 nan 8.190 nan 0.000 0.436 558 D N 2.286 122.713 120.400 0.046 0.000 2.280 558 D HA 0.665 5.305 4.640 0.000 0.000 0.243 558 D C 0.437 176.738 176.300 0.003 0.000 1.129 558 D CA 0.348 54.360 54.000 0.019 0.000 0.848 558 D CB 1.554 42.375 40.800 0.035 0.000 1.107 558 D HN 1.089 nan 8.370 nan 0.000 0.471 559 A N 3.475 126.283 122.820 -0.020 0.000 2.366 559 A HA 0.397 4.717 4.320 0.000 0.000 0.249 559 A C 0.594 178.158 177.584 -0.032 0.000 1.084 559 A CA -0.350 51.672 52.037 -0.025 0.000 0.794 559 A CB 0.517 19.491 19.000 -0.043 0.000 1.034 559 A HN 0.501 nan 8.150 nan 0.000 0.491 560 R N -0.209 120.277 120.500 -0.024 0.000 2.532 560 R HA 0.250 4.590 4.340 0.000 0.000 0.272 560 R C 0.702 176.982 176.300 -0.035 0.000 1.032 560 R CA -0.641 55.444 56.100 -0.025 0.000 1.089 560 R CB 0.499 30.791 30.300 -0.013 0.000 1.098 560 R HN 0.839 nan 8.270 nan 0.000 0.526 561 Q N 1.438 121.216 119.800 -0.036 0.000 2.226 561 Q HA -0.187 4.154 4.340 0.000 0.000 0.204 561 Q C 0.596 176.592 176.000 -0.006 0.000 0.975 561 Q CA 2.236 58.015 55.803 -0.039 0.000 0.866 561 Q CB -0.098 28.620 28.738 -0.034 0.000 0.915 561 Q HN 0.726 nan 8.270 nan 0.000 0.440 562 D N -1.770 118.634 120.400 0.006 0.000 2.349 562 D HA -0.087 4.553 4.640 0.000 0.000 0.224 562 D C 0.926 177.250 176.300 0.041 0.000 1.029 562 D CA 0.365 54.381 54.000 0.026 0.000 0.879 562 D CB 0.038 40.848 40.800 0.017 0.000 0.906 562 D HN 0.345 nan 8.370 nan 0.000 0.528 563 Q N -0.636 119.185 119.800 0.034 0.000 2.217 563 Q HA 0.182 4.522 4.340 0.000 0.000 0.217 563 Q C -0.356 175.709 176.000 0.109 0.000 0.844 563 Q CA 0.173 56.008 55.803 0.053 0.000 0.957 563 Q CB 1.152 29.904 28.738 0.023 0.000 1.127 563 Q HN 0.098 nan 8.270 nan 0.000 0.503 564 T N 1.169 115.776 114.554 0.087 0.000 3.250 564 T HA 0.080 4.430 4.350 0.000 0.000 0.391 564 T C -0.845 173.976 174.700 0.202 0.000 1.502 564 T CA -0.580 61.561 62.100 0.069 0.000 1.320 564 T CB 0.516 69.270 68.868 -0.191 0.000 1.102 564 T HN 0.071 nan 8.240 nan 0.000 0.610 565 D N 3.637 124.295 120.400 0.430 0.000 2.434 565 D HA 0.006 4.646 4.640 0.000 0.000 0.252 565 D C 1.172 177.664 176.300 0.320 0.000 1.185 565 D CA -0.295 53.925 54.000 0.366 0.000 0.886 565 D CB 0.664 41.761 40.800 0.496 0.000 1.148 565 D HN 0.202 nan 8.370 nan 0.000 0.483 566 I N 4.133 124.813 120.570 0.184 0.000 2.099 566 I HA -0.290 3.880 4.170 0.000 0.000 0.239 566 I C 2.068 178.272 176.117 0.145 0.000 1.066 566 I CA 1.377 62.769 61.300 0.154 0.000 1.324 566 I CB -0.992 37.062 38.000 0.091 0.000 1.037 566 I HN 0.554 nan 8.210 nan 0.000 0.401 567 E N 0.362 120.601 120.200 0.065 0.000 2.118 567 E HA -0.218 4.132 4.350 0.000 0.000 0.195 567 E C 2.124 178.678 176.600 -0.076 0.000 0.992 567 E CA 1.194 57.594 56.400 -0.001 0.000 0.804 567 E CB -0.178 29.498 29.700 -0.040 0.000 0.741 567 E HN 0.376 nan 8.360 nan 0.000 0.458 568 M N -0.547 118.948 119.600 -0.175 0.000 2.492 568 M HA 0.008 4.488 4.480 0.000 0.000 0.262 568 M C 1.305 177.402 176.300 -0.337 0.000 1.090 568 M CA 1.022 56.066 55.300 -0.425 0.000 1.110 568 M CB -0.225 31.817 32.600 -0.930 0.000 1.407 568 M HN 0.107 nan 8.290 nan 0.000 0.470 569 F N 0.456 120.405 119.950 -0.001 0.000 2.530 569 F HA 0.031 4.558 4.527 0.000 0.000 0.292 569 F C 2.243 178.200 175.800 0.261 0.000 1.109 569 F CA 0.607 58.683 58.000 0.126 0.000 1.450 569 F CB -0.128 38.936 39.000 0.107 0.000 1.114 569 F HN 0.176 nan 8.300 nan 0.000 0.560 570 E N 0.410 120.805 120.200 0.326 0.000 2.209 570 E HA -0.208 4.142 4.350 0.000 0.000 0.196 570 E C 2.171 178.832 176.600 0.101 0.000 0.993 570 E CA 0.731 57.298 56.400 0.279 0.000 0.819 570 E CB -0.227 29.569 29.700 0.161 0.000 0.745 570 E HN 0.405 nan 8.360 nan 0.000 0.477 571 L N 0.283 121.516 121.223 0.016 0.000 2.191 571 L HA -0.157 4.183 4.340 0.000 0.000 0.212 571 L C 1.810 178.632 176.870 -0.079 0.000 1.103 571 L CA 0.726 55.520 54.840 -0.076 0.000 0.769 571 L CB 0.013 41.974 42.059 -0.162 0.000 0.908 571 L HN 0.221 nan 8.230 nan 0.000 0.438 572 L N -0.912 120.311 121.223 0.001 0.000 2.607 572 L HA 0.085 4.425 4.340 0.000 0.000 0.228 572 L C 0.911 177.622 176.870 -0.264 0.000 1.123 572 L CA -0.188 54.647 54.840 -0.009 0.000 0.890 572 L CB -0.112 42.045 42.059 0.164 0.000 1.103 572 L HN 0.190 nan 8.230 nan 0.000 0.468 573 E N 3.791 123.654 120.200 -0.561 0.000 2.415 573 E HA 0.071 4.421 4.350 0.000 0.000 0.260 573 E C -2.020 174.212 176.600 -0.614 0.000 1.016 573 E CA -1.489 54.133 56.400 -1.296 0.000 0.924 573 E CB 0.701 29.662 29.700 -1.232 0.000 0.961 573 E HN 0.019 nan 8.360 nan 0.000 0.459 574 P HA 0.028 nan 4.420 nan 0.000 0.278 574 P C 0.898 178.168 177.300 -0.049 0.000 1.238 574 P CA -0.188 62.815 63.100 -0.163 0.000 0.794 574 P CB 0.857 32.531 31.700 -0.043 0.000 0.955 575 I N -0.350 120.200 120.570 -0.033 0.000 2.353 575 I HA 0.091 4.261 4.170 0.000 0.000 0.248 575 I C 1.019 177.091 176.117 -0.075 0.000 1.119 575 I CA 0.888 62.158 61.300 -0.050 0.000 1.417 575 I CB -1.010 36.949 38.000 -0.070 0.000 1.078 575 I HN 0.248 nan 8.210 nan 0.000 0.421 576 A N 0.753 123.584 122.820 0.018 0.000 2.515 576 A HA 0.630 4.950 4.320 0.000 0.000 0.296 576 A C -1.545 176.155 177.584 0.193 0.000 1.094 576 A CA -0.360 51.697 52.037 0.032 0.000 0.718 576 A CB 2.150 21.140 19.000 -0.017 0.000 1.307 576 A HN 0.209 nan 8.150 nan 0.000 0.408 577 D N 0.857 121.409 120.400 0.254 0.000 2.323 577 D HA 0.374 5.014 4.640 0.000 0.000 0.242 577 D C 0.922 177.373 176.300 0.253 0.000 1.347 577 D CA 0.373 54.568 54.000 0.326 0.000 0.988 577 D CB 0.954 41.989 40.800 0.391 0.000 1.314 577 D HN 0.606 nan 8.370 nan 0.000 0.564 578 G N 1.365 110.231 108.800 0.110 0.000 2.534 578 G HA2 -0.180 3.780 3.960 0.000 0.000 0.217 578 G HA3 -0.180 3.780 3.960 0.000 0.000 0.217 578 G C 1.112 175.933 174.900 -0.132 0.000 1.128 578 G CA 0.290 45.358 45.100 -0.053 0.000 0.784 578 G HN 0.449 nan 8.290 nan 0.000 0.542 579 F N 0.212 120.195 119.950 0.056 0.000 2.293 579 F HA 0.167 4.694 4.527 0.000 0.000 0.300 579 F C 2.625 178.286 175.800 -0.232 0.000 1.086 579 F CA 0.840 58.742 58.000 -0.164 0.000 1.375 579 F CB 0.173 38.994 39.000 -0.299 0.000 1.045 579 F HN 0.000 nan 8.300 nan 0.000 0.516 580 R N -0.312 120.264 120.500 0.127 0.000 2.509 580 R HA 0.104 4.444 4.340 0.000 0.000 0.300 580 R C 0.018 176.477 176.300 0.265 0.000 0.985 580 R CA -0.106 56.095 56.100 0.168 0.000 1.092 580 R CB -0.024 30.455 30.300 0.298 0.000 1.237 580 R HN -0.021 nan 8.270 nan 0.000 0.546 581 N N 0.743 119.544 118.700 0.169 0.000 2.721 581 N HA -0.283 4.457 4.740 0.000 0.000 0.249 581 N C -1.307 174.398 175.510 0.325 0.000 1.072 581 N CA 0.966 54.135 53.050 0.197 0.000 0.710 581 N CB -1.094 37.491 38.487 0.164 0.000 0.993 581 N HN 0.342 nan 8.380 nan 0.000 0.547 582 Y N 0.484 120.810 120.300 0.043 0.000 2.323 582 Y HA 0.584 5.134 4.550 0.000 0.000 0.331 582 Y C 0.244 176.043 175.900 -0.169 0.000 1.092 582 Y CA -0.993 56.935 58.100 -0.287 0.000 1.150 582 Y CB 0.870 38.956 38.460 -0.624 0.000 1.200 582 Y HN 0.121 nan 8.280 nan 0.000 0.472 583 R N 4.379 124.402 120.500 -0.795 0.000 2.510 583 R HA 0.777 5.117 4.340 0.000 0.000 0.294 583 R C -1.917 173.945 176.300 -0.731 0.000 1.056 583 R CA -0.217 55.529 56.100 -0.589 0.000 0.918 583 R CB 0.942 31.103 30.300 -0.232 0.000 1.187 583 R HN 0.809 nan 8.270 nan 0.000 0.437 584 A N 2.529 124.957 122.820 -0.653 0.000 2.344 584 A HA 0.752 5.072 4.320 0.000 0.000 0.307 584 A C -0.725 176.731 177.584 -0.213 0.000 1.151 584 A CA -0.820 50.972 52.037 -0.408 0.000 0.842 584 A CB 0.788 19.590 19.000 -0.331 0.000 1.350 584 A HN 0.838 nan 8.150 nan 0.000 0.459 585 R N -0.697 119.724 120.500 -0.132 0.000 3.059 585 R HA -0.150 4.191 4.340 0.000 0.000 0.251 585 R C 0.366 176.617 176.300 -0.081 0.000 0.886 585 R CA 0.473 56.521 56.100 -0.087 0.000 0.634 585 R CB -1.883 28.370 30.300 -0.079 0.000 1.282 585 R HN 0.652 nan 8.270 nan 0.000 0.487 586 L N 0.356 121.535 121.223 -0.073 0.000 2.187 586 L HA -0.229 4.111 4.340 0.000 0.000 0.213 586 L C 2.052 178.895 176.870 -0.044 0.000 1.100 586 L CA 1.688 56.492 54.840 -0.059 0.000 0.765 586 L CB -0.350 41.679 42.059 -0.049 0.000 0.904 586 L HN 0.538 nan 8.230 nan 0.000 0.437 587 D N -0.532 119.845 120.400 -0.039 0.000 2.269 587 D HA -0.067 4.573 4.640 0.000 0.000 0.208 587 D C 0.848 177.130 176.300 -0.030 0.000 0.963 587 D CA 0.368 54.350 54.000 -0.030 0.000 0.864 587 D CB -0.540 40.244 40.800 -0.026 0.000 0.936 587 D HN 0.125 nan 8.370 nan 0.000 0.505 588 V N 1.085 120.977 119.914 -0.037 0.000 2.432 588 V HA 0.325 4.445 4.120 0.000 0.000 0.271 588 V C 0.583 176.656 176.094 -0.035 0.000 1.046 588 V CA -0.624 61.655 62.300 -0.036 0.000 0.945 588 V CB 0.248 32.046 31.823 -0.042 0.000 0.992 588 V HN 0.310 nan 8.190 nan 0.000 0.471 589 S N 2.934 118.617 115.700 -0.027 0.000 3.307 589 S HA -0.178 4.292 4.470 0.000 0.000 0.634 589 S C 0.317 174.904 174.600 -0.023 0.000 2.711 589 S CA 0.788 58.974 58.200 -0.023 0.000 2.940 589 S CB -0.949 62.236 63.200 -0.024 0.000 0.331 589 S HN 1.532 nan 8.310 nan 0.000 1.766 590 T N -2.354 112.189 114.554 -0.019 0.000 2.924 590 T HA 0.694 5.044 4.350 0.000 0.000 0.291 590 T C 1.424 176.113 174.700 -0.018 0.000 1.045 590 T CA 0.144 62.234 62.100 -0.016 0.000 1.015 590 T CB 1.590 70.453 68.868 -0.007 0.000 1.103 590 T HN 1.204 nan 8.240 nan 0.000 0.496 591 T N -0.757 113.790 114.554 -0.012 0.000 2.746 591 T HA -0.162 4.188 4.350 0.000 0.000 0.267 591 T C 1.646 176.336 174.700 -0.016 0.000 1.039 591 T CA 1.464 63.556 62.100 -0.014 0.000 1.142 591 T CB -0.602 68.266 68.868 0.001 0.000 0.866 591 T HN 0.810 nan 8.240 nan 0.000 0.444 592 E N 2.544 122.734 120.200 -0.016 0.000 2.106 592 E HA -0.140 4.210 4.350 0.000 0.000 0.192 592 E C 2.425 178.998 176.600 -0.046 0.000 0.984 592 E CA 1.710 58.082 56.400 -0.046 0.000 0.806 592 E CB -0.888 28.774 29.700 -0.063 0.000 0.750 592 E HN 0.755 nan 8.360 nan 0.000 0.458 593 S N 1.564 117.246 115.700 -0.030 0.000 2.371 593 S HA -0.069 4.401 4.470 0.000 0.000 0.224 593 S C 2.350 176.943 174.600 -0.012 0.000 1.029 593 S CA 0.827 59.013 58.200 -0.023 0.000 0.978 593 S CB -0.847 62.343 63.200 -0.018 0.000 0.833 593 S HN 0.260 nan 8.310 nan 0.000 0.466 594 L N 0.745 121.962 121.223 -0.011 0.000 2.187 594 L HA -0.042 4.298 4.340 0.000 0.000 0.213 594 L C 2.594 179.476 176.870 0.020 0.000 1.100 594 L CA 0.951 55.793 54.840 0.004 0.000 0.765 594 L CB -0.765 41.290 42.059 -0.006 0.000 0.904 594 L HN 0.339 nan 8.230 nan 0.000 0.437 595 L N 0.069 121.286 121.223 -0.010 0.000 2.005 595 L HA -0.141 4.200 4.340 0.000 0.000 0.207 595 L C 2.304 179.176 176.870 0.003 0.000 1.072 595 L CA 1.757 56.576 54.840 -0.035 0.000 0.744 595 L CB -0.359 41.645 42.059 -0.092 0.000 0.895 595 L HN 0.013 nan 8.230 nan 0.000 0.433 596 I N 0.363 120.931 120.570 -0.005 0.000 2.264 596 I HA -0.265 3.905 4.170 0.000 0.000 0.248 596 I C 2.172 178.335 176.117 0.077 0.000 1.111 596 I CA 1.625 62.944 61.300 0.032 0.000 1.382 596 I CB -0.655 37.345 38.000 -0.001 0.000 1.060 596 I HN 0.377 nan 8.210 nan 0.000 0.418 597 D N 0.379 120.816 120.400 0.062 0.000 2.117 597 D HA -0.211 4.429 4.640 0.000 0.000 0.198 597 D C 2.171 178.540 176.300 0.115 0.000 0.982 597 D CA 1.111 55.152 54.000 0.069 0.000 0.828 597 D CB 0.037 40.861 40.800 0.040 0.000 0.967 597 D HN 0.071 nan 8.370 nan 0.000 0.464 598 K N 0.221 120.717 120.400 0.161 0.000 2.057 598 K HA 0.019 4.339 4.320 0.000 0.000 0.206 598 K C 1.845 178.658 176.600 0.354 0.000 1.050 598 K CA 1.401 57.842 56.287 0.256 0.000 0.935 598 K CB -0.442 32.267 32.500 0.349 0.000 0.715 598 K HN 0.062 nan 8.250 nan 0.000 0.439 599 A N 0.696 123.760 122.820 0.407 0.000 1.933 599 A HA -0.215 4.105 4.320 0.000 0.000 0.218 599 A C 2.056 179.795 177.584 0.259 0.000 1.175 599 A CA 1.697 54.007 52.037 0.455 0.000 0.628 599 A CB -0.512 18.739 19.000 0.418 0.000 0.814 599 A HN 0.512 nan 8.150 nan 0.000 0.444 600 Q N -0.692 119.219 119.800 0.184 0.000 2.083 600 Q HA -0.201 4.139 4.340 0.000 0.000 0.198 600 Q C 2.270 178.345 176.000 0.125 0.000 0.969 600 Q CA 1.390 57.272 55.803 0.132 0.000 0.838 600 Q CB -0.278 28.516 28.738 0.093 0.000 0.900 600 Q HN 0.788 nan 8.270 nan 0.000 0.436 601 Q N 0.678 120.547 119.800 0.116 0.000 2.118 601 Q HA -0.185 4.155 4.340 0.000 0.000 0.211 601 Q C 1.835 177.941 176.000 0.176 0.000 0.998 601 Q CA 1.246 57.105 55.803 0.094 0.000 0.872 601 Q CB -0.292 28.488 28.738 0.071 0.000 0.925 601 Q HN 0.382 nan 8.270 nan 0.000 0.414 602 L N 1.143 122.477 121.223 0.185 0.000 2.627 602 L HA -0.001 4.339 4.340 0.000 0.000 0.233 602 L C 0.550 177.502 176.870 0.137 0.000 1.144 602 L CA 0.631 55.574 54.840 0.171 0.000 0.892 602 L CB -0.786 41.278 42.059 0.008 0.000 1.039 602 L HN 0.427 nan 8.230 nan 0.000 0.442 603 T N -2.777 111.876 114.554 0.164 0.000 4.040 603 T HA -0.268 4.083 4.350 0.000 0.000 0.341 603 T C 0.096 174.853 174.700 0.095 0.000 0.758 603 T CA 0.590 62.765 62.100 0.125 0.000 1.893 603 T CB -2.643 66.299 68.868 0.123 0.000 1.886 603 T HN 0.237 nan 8.240 nan 0.000 0.833 604 L N 1.600 122.896 121.223 0.122 0.000 2.395 604 L HA 0.554 4.894 4.340 0.000 0.000 0.269 604 L C 1.642 178.593 176.870 0.136 0.000 1.133 604 L CA -0.352 54.568 54.840 0.132 0.000 0.812 604 L CB 0.985 43.167 42.059 0.206 0.000 1.125 604 L HN 0.606 nan 8.230 nan 0.000 0.452 605 T N -1.076 113.551 114.554 0.123 0.000 2.788 605 T HA 0.365 4.715 4.350 0.000 0.000 0.280 605 T C 1.153 175.946 174.700 0.155 0.000 0.984 605 T CA -0.154 62.017 62.100 0.118 0.000 0.972 605 T CB 1.419 70.343 68.868 0.094 0.000 1.039 605 T HN 0.631 nan 8.240 nan 0.000 0.530 606 A N 1.052 123.952 122.820 0.134 0.000 1.883 606 A HA 0.062 4.382 4.320 0.000 0.000 0.217 606 A C -0.140 177.571 177.584 0.212 0.000 1.186 606 A CA 1.391 53.522 52.037 0.156 0.000 0.624 606 A CB -2.047 17.013 19.000 0.101 0.000 0.822 606 A HN 0.748 nan 8.150 nan 0.000 0.444 607 P HA -0.083 nan 4.420 nan 0.000 0.217 607 P C 1.181 178.649 177.300 0.281 0.000 1.151 607 P CA 1.309 64.526 63.100 0.195 0.000 0.828 607 P CB -0.006 31.766 31.700 0.120 0.000 0.788 608 E N -0.810 119.528 120.200 0.231 0.000 2.047 608 E HA -0.166 4.184 4.350 0.000 0.000 0.191 608 E C 1.988 178.768 176.600 0.299 0.000 0.987 608 E CA 1.017 57.552 56.400 0.224 0.000 0.799 608 E CB -0.509 29.283 29.700 0.154 0.000 0.752 608 E HN 0.181 nan 8.360 nan 0.000 0.449 609 M N 0.612 120.426 119.600 0.357 0.000 2.080 609 M HA -0.195 4.286 4.480 0.000 0.000 0.260 609 M C 2.041 178.603 176.300 0.437 0.000 1.068 609 M CA 1.761 57.367 55.300 0.510 0.000 1.109 609 M CB -0.206 32.677 32.600 0.471 0.000 1.342 609 M HN -0.004 nan 8.290 nan 0.000 0.405 610 T N 1.150 115.957 114.554 0.421 0.000 2.720 610 T HA -0.108 4.242 4.350 0.000 0.000 0.268 610 T C 1.833 176.728 174.700 0.325 0.000 1.037 610 T CA 1.703 63.983 62.100 0.299 0.000 1.144 610 T CB -0.551 68.571 68.868 0.424 0.000 0.864 610 T HN 0.637 nan 8.240 nan 0.000 0.444 611 A N 1.241 124.332 122.820 0.451 0.000 1.902 611 A HA 0.001 4.321 4.320 0.000 0.000 0.217 611 A C 2.194 180.121 177.584 0.572 0.000 1.181 611 A CA 1.087 53.441 52.037 0.529 0.000 0.623 611 A CB -0.735 18.477 19.000 0.353 0.000 0.818 611 A HN 0.330 nan 8.150 nan 0.000 0.443 612 L N -0.317 121.138 121.223 0.387 0.000 2.083 612 L HA -0.104 4.236 4.340 0.000 0.000 0.209 612 L C 2.619 179.642 176.870 0.256 0.000 1.083 612 L CA 1.349 56.392 54.840 0.338 0.000 0.752 612 L CB -1.033 41.186 42.059 0.268 0.000 0.899 612 L HN 0.220 nan 8.230 nan 0.000 0.433 613 V N -0.423 119.528 119.914 0.062 0.000 2.270 613 V HA -0.183 3.937 4.120 0.000 0.000 0.245 613 V C 2.468 178.151 176.094 -0.685 0.000 1.043 613 V CA 1.869 63.968 62.300 -0.336 0.000 1.014 613 V CB -1.186 30.225 31.823 -0.686 0.000 0.645 613 V HN 0.543 nan 8.190 nan 0.000 0.447 614 G N -0.741 107.524 108.800 -0.892 0.000 2.534 614 G HA2 -0.031 3.929 3.960 0.000 0.000 0.217 614 G HA3 -0.031 3.929 3.960 0.000 0.000 0.217 614 G C 1.494 175.979 174.900 -0.690 0.000 1.128 614 G CA 0.830 45.061 45.100 -1.449 0.000 0.784 614 G HN 0.589 nan 8.290 nan 0.000 0.542 615 G N 0.779 109.513 108.800 -0.109 0.000 2.404 615 G HA2 -0.124 3.836 3.960 0.000 0.000 0.214 615 G HA3 -0.124 3.836 3.960 0.000 0.000 0.214 615 G C 1.838 176.611 174.900 -0.211 0.000 1.189 615 G CA 0.710 45.769 45.100 -0.069 0.000 0.789 615 G HN 0.277 nan 8.290 nan 0.000 0.533 616 M N 0.020 119.603 119.600 -0.029 0.000 2.106 616 M HA -0.081 4.399 4.480 0.000 0.000 0.259 616 M C 2.755 178.937 176.300 -0.197 0.000 1.068 616 M CA 1.132 56.377 55.300 -0.093 0.000 1.100 616 M CB -0.630 31.892 32.600 -0.130 0.000 1.351 616 M HN 0.077 nan 8.290 nan 0.000 0.404 617 R N 0.482 120.790 120.500 -0.319 0.000 2.094 617 R HA -0.139 4.201 4.340 0.000 0.000 0.239 617 R C 2.183 178.343 176.300 -0.235 0.000 1.137 617 R CA 1.727 57.630 56.100 -0.328 0.000 0.943 617 R CB -1.802 28.185 30.300 -0.522 0.000 0.850 617 R HN 0.505 nan 8.270 nan 0.000 0.433 618 V N -1.151 118.615 119.914 -0.246 0.000 2.667 618 V HA -0.064 4.057 4.120 0.000 0.000 0.252 618 V C 2.300 178.306 176.094 -0.147 0.000 1.065 618 V CA 1.246 63.439 62.300 -0.179 0.000 1.083 618 V CB -0.702 31.012 31.823 -0.182 0.000 0.692 618 V HN 0.114 nan 8.190 nan 0.000 0.468 619 L N 1.292 122.414 121.223 -0.170 0.000 2.376 619 L HA 0.244 4.584 4.340 0.000 0.000 0.219 619 L C 1.817 178.629 176.870 -0.096 0.000 1.133 619 L CA 1.097 55.848 54.840 -0.147 0.000 0.816 619 L CB -0.772 41.183 42.059 -0.174 0.000 0.933 619 L HN 0.672 nan 8.230 nan 0.000 0.449 620 G N -0.157 108.589 108.800 -0.091 0.000 2.203 620 G HA2 -0.216 3.744 3.960 0.000 0.000 0.231 620 G HA3 -0.216 3.744 3.960 0.000 0.000 0.231 620 G C 0.470 175.347 174.900 -0.038 0.000 1.058 620 G CA 0.120 45.184 45.100 -0.061 0.000 0.781 620 G HN 0.428 nan 8.290 nan 0.000 0.496 621 A N -0.395 122.400 122.820 -0.041 0.000 2.460 621 A HA 0.492 4.812 4.320 0.000 0.000 0.258 621 A C 1.037 178.636 177.584 0.025 0.000 1.300 621 A CA 0.089 52.128 52.037 0.004 0.000 0.913 621 A CB -0.033 18.971 19.000 0.007 0.000 1.031 621 A HN 0.423 nan 8.150 nan 0.000 0.512 622 N N 0.151 118.857 118.700 0.010 0.000 2.283 622 N HA -0.012 4.728 4.740 0.000 0.000 0.236 622 N C 0.802 176.375 175.510 0.104 0.000 1.252 622 N CA 0.293 53.387 53.050 0.073 0.000 0.856 622 N CB -0.010 38.487 38.487 0.016 0.000 1.099 622 N HN 0.485 nan 8.380 nan 0.000 0.444 623 F N -0.506 119.498 119.950 0.091 0.000 2.407 623 F HA 0.031 4.558 4.527 0.000 0.000 0.299 623 F C 0.690 176.540 175.800 0.084 0.000 1.097 623 F CA 0.093 58.150 58.000 0.094 0.000 1.422 623 F CB -0.007 39.049 39.000 0.094 0.000 1.067 623 F HN 0.373 nan 8.300 nan 0.000 0.539 624 D N -0.087 119.694 120.400 -1.033 0.000 2.726 624 D HA 0.329 4.969 4.640 0.000 0.000 0.241 624 D C 1.286 177.388 176.300 -0.331 0.000 1.150 624 D CA -0.299 53.261 54.000 -0.733 0.000 1.089 624 D CB 0.126 40.309 40.800 -1.028 0.000 1.260 624 D HN -0.064 nan 8.370 nan 0.000 0.637 625 G N -0.807 107.858 108.800 -0.224 0.000 3.181 625 G HA2 0.101 4.061 3.960 0.000 0.000 0.219 625 G HA3 0.101 4.061 3.960 0.000 0.000 0.219 625 G C 0.615 175.468 174.900 -0.078 0.000 1.182 625 G CA 0.169 45.201 45.100 -0.113 0.000 0.791 625 G HN 0.428 nan 8.290 nan 0.000 0.537 626 S N -0.343 115.297 115.700 -0.100 0.000 2.569 626 S HA 0.108 4.578 4.470 0.000 0.000 0.274 626 S C 1.339 175.944 174.600 0.008 0.000 1.353 626 S CA 0.020 58.204 58.200 -0.026 0.000 1.023 626 S CB 0.930 64.130 63.200 -0.001 0.000 0.876 626 S HN 0.304 nan 8.310 nan 0.000 0.540 627 K N 1.542 121.973 120.400 0.053 0.000 2.358 627 K HA 0.123 4.443 4.320 0.000 0.000 0.200 627 K C -0.325 176.342 176.600 0.112 0.000 1.030 627 K CA -0.190 56.146 56.287 0.081 0.000 1.097 627 K CB -0.050 32.520 32.500 0.117 0.000 0.862 627 K HN 0.555 nan 8.250 nan 0.000 0.534 628 N N 0.955 119.722 118.700 0.111 0.000 2.357 628 N HA -0.052 4.688 4.740 0.000 0.000 0.257 628 N C 1.003 176.520 175.510 0.012 0.000 1.250 628 N CA 1.448 54.584 53.050 0.144 0.000 0.862 628 N CB 0.605 39.179 38.487 0.146 0.000 1.066 628 N HN 0.382 nan 8.380 nan 0.000 0.468 629 G N 0.602 109.363 108.800 -0.066 0.000 2.257 629 G HA2 -0.311 3.649 3.960 0.000 0.000 0.267 629 G HA3 -0.311 3.649 3.960 0.000 0.000 0.267 629 G C 0.231 174.656 174.900 -0.793 0.000 0.984 629 G CA 0.363 45.021 45.100 -0.738 0.000 0.626 629 G HN 0.505 nan 8.290 nan 0.000 0.540 630 V N 2.650 122.408 119.914 -0.260 0.000 2.070 630 V HA 0.242 4.362 4.120 0.000 0.000 0.239 630 V C 0.405 176.467 176.094 -0.053 0.000 1.472 630 V CA -0.058 62.154 62.300 -0.146 0.000 1.453 630 V CB -0.938 30.869 31.823 -0.027 0.000 1.503 630 V HN 0.250 nan 8.190 nan 0.000 0.501 631 F N 2.392 122.113 119.950 -0.381 0.000 2.659 631 F HA 0.481 5.008 4.527 0.000 0.000 0.360 631 F C 0.836 176.325 175.800 -0.518 0.000 1.218 631 F CA -0.117 57.319 58.000 -0.939 0.000 1.317 631 F CB -0.226 38.219 39.000 -0.924 0.000 1.697 631 F HN 0.361 nan 8.300 nan 0.000 0.637 632 T N -0.131 114.406 114.554 -0.029 0.000 2.893 632 T HA 0.199 4.549 4.350 0.000 0.000 0.337 632 T C 0.154 174.936 174.700 0.137 0.000 1.587 632 T CA -0.709 61.427 62.100 0.060 0.000 1.066 632 T CB 1.172 70.031 68.868 -0.016 0.000 1.414 632 T HN 0.330 nan 8.240 nan 0.000 0.488 633 D N 1.970 122.439 120.400 0.115 0.000 2.339 633 D HA 0.076 4.716 4.640 0.000 0.000 0.217 633 D C 0.421 176.750 176.300 0.048 0.000 1.050 633 D CA -0.098 53.958 54.000 0.093 0.000 0.856 633 D CB 0.100 40.948 40.800 0.079 0.000 0.922 633 D HN 0.530 nan 8.370 nan 0.000 0.518 634 R N 0.497 121.014 120.500 0.028 0.000 2.415 634 R HA 0.500 4.841 4.340 0.000 0.000 0.292 634 R C -0.865 175.429 176.300 -0.010 0.000 1.295 634 R CA -0.728 55.375 56.100 0.006 0.000 1.137 634 R CB 1.052 31.352 30.300 -0.001 0.000 1.135 634 R HN -0.237 nan 8.270 nan 0.000 0.560 635 V N 2.725 122.634 119.914 -0.008 0.000 2.521 635 V HA 0.406 4.526 4.120 0.000 0.000 0.286 635 V C 1.444 177.515 176.094 -0.038 0.000 1.034 635 V CA 1.247 63.531 62.300 -0.026 0.000 1.045 635 V CB 0.849 32.662 31.823 -0.016 0.000 0.974 635 V HN 1.058 nan 8.190 nan 0.000 0.480 636 G N 3.652 112.417 108.800 -0.059 0.000 2.179 636 G HA2 -0.169 3.791 3.960 0.000 0.000 0.220 636 G HA3 -0.169 3.791 3.960 0.000 0.000 0.220 636 G C -0.051 174.807 174.900 -0.070 0.000 0.990 636 G CA 0.021 45.081 45.100 -0.067 0.000 0.646 636 G HN 1.254 nan 8.290 nan 0.000 0.517 637 V N 1.256 121.134 119.914 -0.060 0.000 2.435 637 V HA 0.783 4.903 4.120 0.000 0.000 0.290 637 V C 0.452 176.516 176.094 -0.050 0.000 1.030 637 V CA -1.145 61.127 62.300 -0.047 0.000 0.881 637 V CB 1.462 33.275 31.823 -0.018 0.000 0.983 637 V HN 0.641 nan 8.190 nan 0.000 0.445 638 L N 7.756 128.947 121.223 -0.052 0.000 2.448 638 L HA 0.433 4.773 4.340 0.000 0.000 0.278 638 L C 0.525 177.498 176.870 0.172 0.000 1.201 638 L CA 0.847 55.651 54.840 -0.060 0.000 1.036 638 L CB -0.461 41.486 42.059 -0.186 0.000 1.325 638 L HN 0.994 nan 8.230 nan 0.000 0.441 639 S N 2.056 117.841 115.700 0.142 0.000 2.704 639 S HA 0.482 4.952 4.470 0.000 0.000 0.305 639 S C 0.523 175.155 174.600 0.053 0.000 1.107 639 S CA -0.678 57.617 58.200 0.160 0.000 0.993 639 S CB 1.250 64.407 63.200 -0.072 0.000 1.110 639 S HN 0.605 nan 8.310 nan 0.000 0.534 640 N N -0.106 118.584 118.700 -0.016 0.000 2.389 640 N HA 0.055 4.795 4.740 0.000 0.000 0.237 640 N C -0.379 175.018 175.510 -0.188 0.000 1.148 640 N CA -0.164 52.709 53.050 -0.296 0.000 0.854 640 N CB -0.222 38.269 38.487 0.008 0.000 1.115 640 N HN 0.529 nan 8.380 nan 0.000 0.492 641 D N 0.124 120.410 120.400 -0.189 0.000 2.312 641 D HA -0.076 4.564 4.640 0.000 0.000 0.211 641 D C 1.146 177.347 176.300 -0.166 0.000 0.964 641 D CA 0.270 54.198 54.000 -0.119 0.000 0.877 641 D CB -0.148 40.602 40.800 -0.084 0.000 0.924 641 D HN 0.369 nan 8.370 nan 0.000 0.515 642 F N 0.483 120.125 119.950 -0.514 0.000 2.146 642 F HA -0.187 4.340 4.527 0.000 0.000 0.298 642 F C 1.660 177.228 175.800 -0.386 0.000 1.096 642 F CA 1.336 58.981 58.000 -0.592 0.000 1.275 642 F CB -0.295 38.064 39.000 -1.070 0.000 1.008 642 F HN -0.177 nan 8.300 nan 0.000 0.480 643 F N -0.047 119.847 119.950 -0.093 0.000 2.149 643 F HA -0.045 4.482 4.527 0.000 0.000 0.294 643 F C 2.419 178.166 175.800 -0.087 0.000 1.095 643 F CA 1.097 59.037 58.000 -0.100 0.000 1.276 643 F CB -1.527 37.510 39.000 0.062 0.000 1.023 643 F HN -0.219 nan 8.300 nan 0.000 0.480 644 V N 0.731 120.713 119.914 0.113 0.000 2.282 644 V HA -0.321 3.800 4.120 0.000 0.000 0.249 644 V C 2.227 178.366 176.094 0.074 0.000 1.057 644 V CA 2.184 64.538 62.300 0.090 0.000 1.032 644 V CB -0.640 31.224 31.823 0.068 0.000 0.645 644 V HN 0.362 nan 8.190 nan 0.000 0.447 645 N N -0.268 118.443 118.700 0.018 0.000 2.270 645 N HA -0.073 4.667 4.740 0.000 0.000 0.181 645 N C 1.695 177.201 175.510 -0.007 0.000 1.016 645 N CA 1.058 54.132 53.050 0.040 0.000 0.870 645 N CB -0.362 38.051 38.487 -0.123 0.000 0.979 645 N HN 0.427 nan 8.380 nan 0.000 0.431 646 L N 0.786 121.927 121.223 -0.136 0.000 2.081 646 L HA -0.065 4.275 4.340 0.000 0.000 0.212 646 L C 1.564 178.441 176.870 0.012 0.000 1.080 646 L CA 1.585 56.319 54.840 -0.177 0.000 0.754 646 L CB -0.221 41.589 42.059 -0.415 0.000 0.893 646 L HN 0.127 nan 8.230 nan 0.000 0.433 647 L N -0.925 120.339 121.223 0.069 0.000 2.640 647 L HA 0.153 4.493 4.340 0.000 0.000 0.230 647 L C 0.230 177.180 176.870 0.134 0.000 1.123 647 L CA 0.048 54.947 54.840 0.098 0.000 0.900 647 L CB -0.521 41.589 42.059 0.085 0.000 1.146 647 L HN 0.260 nan 8.230 nan 0.000 0.484 648 D N 1.010 121.520 120.400 0.184 0.000 2.371 648 D HA -0.002 4.638 4.640 0.000 0.000 0.256 648 D C 1.214 177.583 176.300 0.114 0.000 1.193 648 D CA 0.102 54.189 54.000 0.146 0.000 0.881 648 D CB 1.266 42.176 40.800 0.184 0.000 1.143 648 D HN 0.062 nan 8.370 nan 0.000 0.473 649 M N 3.365 122.986 119.600 0.035 0.000 2.460 649 M HA -0.162 4.318 4.480 0.000 0.000 0.263 649 M C 1.945 178.198 176.300 -0.077 0.000 1.071 649 M CA 0.749 56.055 55.300 0.011 0.000 1.096 649 M CB -0.105 32.494 32.600 -0.001 0.000 1.408 649 M HN 0.407 nan 8.290 nan 0.000 0.463 650 R N 0.234 120.611 120.500 -0.204 0.000 2.200 650 R HA -0.122 4.218 4.340 0.000 0.000 0.234 650 R C -0.312 175.711 176.300 -0.460 0.000 1.127 650 R CA 1.079 56.944 56.100 -0.391 0.000 0.989 650 R CB -0.524 29.423 30.300 -0.589 0.000 0.869 650 R HN 0.236 nan 8.270 nan 0.000 0.459 651 Y N 0.524 120.751 120.300 -0.121 0.000 2.342 651 Y HA 0.314 4.864 4.550 0.000 0.000 0.334 651 Y C -0.195 175.498 175.900 -0.344 0.000 1.067 651 Y CA -1.175 56.746 58.100 -0.297 0.000 1.128 651 Y CB 1.556 39.770 38.460 -0.410 0.000 1.200 651 Y HN 0.056 nan 8.280 nan 0.000 0.464 652 E N 3.251 123.298 120.200 -0.256 0.000 2.171 652 E HA 0.277 4.627 4.350 0.000 0.000 0.271 652 E C -1.925 174.476 176.600 -0.331 0.000 0.916 652 E CA -0.770 55.515 56.400 -0.192 0.000 0.774 652 E CB 0.931 30.585 29.700 -0.078 0.000 1.128 652 E HN 0.588 nan 8.360 nan 0.000 0.403 653 W N 3.874 125.209 121.300 0.059 0.000 2.478 653 W HA 0.451 5.111 4.660 0.000 0.000 0.318 653 W C -0.033 176.574 176.519 0.147 0.000 1.062 653 W CA -0.708 56.685 57.345 0.081 0.000 1.210 653 W CB 1.384 30.846 29.460 0.004 0.000 1.325 653 W HN 0.135 nan 8.180 nan 0.000 0.496 654 K N 2.259 122.913 120.400 0.422 0.000 2.482 654 K HA 0.572 4.892 4.320 0.000 0.000 0.251 654 K C -0.461 176.372 176.600 0.388 0.000 0.936 654 K CA -0.955 55.544 56.287 0.355 0.000 0.791 654 K CB 2.152 34.755 32.500 0.171 0.000 1.213 654 K HN 0.569 nan 8.250 nan 0.000 0.428 655 A N 1.795 124.804 122.820 0.316 0.000 2.566 655 A HA -0.018 4.302 4.320 0.000 0.000 0.245 655 A C 1.395 178.938 177.584 -0.069 0.000 1.056 655 A CA 0.697 52.615 52.037 -0.198 0.000 0.757 655 A CB -0.147 18.703 19.000 -0.251 0.000 0.979 655 A HN 0.879 nan 8.150 nan 0.000 0.508 656 T N -0.158 114.336 114.554 -0.101 0.000 2.821 656 T HA 0.047 4.397 4.350 0.000 0.000 0.267 656 T C 0.406 175.076 174.700 -0.050 0.000 1.046 656 T CA 1.424 63.499 62.100 -0.042 0.000 1.139 656 T CB -0.582 68.269 68.868 -0.028 0.000 0.871 656 T HN 0.883 nan 8.240 nan 0.000 0.454 657 D N -0.284 120.064 120.400 -0.086 0.000 2.744 657 D HA 0.285 4.925 4.640 0.000 0.000 0.304 657 D C 0.845 177.103 176.300 -0.071 0.000 1.179 657 D CA -0.531 53.433 54.000 -0.060 0.000 1.024 657 D CB 0.640 41.412 40.800 -0.047 0.000 1.453 657 D HN 0.237 nan 8.370 nan 0.000 0.529 658 E N -0.227 119.945 120.200 -0.045 0.000 2.160 658 E HA -0.234 4.116 4.350 0.000 0.000 0.195 658 E C 1.602 178.174 176.600 -0.047 0.000 0.991 658 E CA 1.705 58.084 56.400 -0.035 0.000 0.810 658 E CB -0.401 29.287 29.700 -0.021 0.000 0.742 658 E HN 0.366 nan 8.360 nan 0.000 0.466 659 S N 1.300 116.964 115.700 -0.060 0.000 2.419 659 S HA -0.201 4.269 4.470 0.000 0.000 0.233 659 S C 0.932 175.476 174.600 -0.093 0.000 1.016 659 S CA 1.036 59.198 58.200 -0.062 0.000 0.974 659 S CB -0.519 62.645 63.200 -0.059 0.000 0.786 659 S HN 0.357 nan 8.310 nan 0.000 0.492 660 K N 0.052 120.347 120.400 -0.176 0.000 3.012 660 K HA -0.196 4.124 4.320 0.000 0.000 0.259 660 K C 0.275 176.673 176.600 -0.337 0.000 0.989 660 K CA 0.899 56.973 56.287 -0.355 0.000 0.728 660 K CB -1.200 31.223 32.500 -0.129 0.000 1.260 660 K HN 0.392 nan 8.250 nan 0.000 0.480 661 E N 0.378 120.438 120.200 -0.233 0.000 2.474 661 E HA 0.149 4.499 4.350 0.000 0.000 0.194 661 E C -0.496 176.043 176.600 -0.102 0.000 1.041 661 E CA 0.206 56.546 56.400 -0.101 0.000 0.874 661 E CB 0.434 30.106 29.700 -0.047 0.000 0.914 661 E HN 0.322 nan 8.360 nan 0.000 0.498 662 L N 0.429 121.471 121.223 -0.301 0.000 2.438 662 L HA 0.490 4.830 4.340 0.000 0.000 0.270 662 L C -1.697 174.994 176.870 -0.299 0.000 0.972 662 L CA -0.557 54.205 54.840 -0.130 0.000 0.831 662 L CB 0.984 43.018 42.059 -0.041 0.000 1.273 662 L HN -0.192 nan 8.230 nan 0.000 0.405 663 F N 1.883 121.939 119.950 0.177 0.000 2.563 663 F HA 0.589 5.116 4.527 0.000 0.000 0.316 663 F C 0.130 176.116 175.800 0.309 0.000 1.076 663 F CA -0.696 57.449 58.000 0.241 0.000 0.921 663 F CB 1.889 41.075 39.000 0.309 0.000 1.209 663 F HN 0.374 nan 8.300 nan 0.000 0.462 664 E N 0.637 121.091 120.200 0.423 0.000 2.191 664 E HA 0.528 4.879 4.350 0.000 0.000 0.278 664 E C -0.228 176.405 176.600 0.054 0.000 0.972 664 E CA -0.753 55.791 56.400 0.240 0.000 0.804 664 E CB 1.847 31.601 29.700 0.090 0.000 1.110 664 E HN 0.821 nan 8.360 nan 0.000 0.394 665 G N 2.917 111.464 108.800 -0.422 0.000 2.428 665 G HA2 0.273 4.233 3.960 0.000 0.000 0.320 665 G HA3 0.273 4.233 3.960 0.000 0.000 0.320 665 G C -0.389 174.067 174.900 -0.740 0.000 1.098 665 G CA -0.429 43.826 45.100 -1.408 0.000 0.984 665 G HN 0.311 nan 8.290 nan 0.000 0.444 666 R N 2.266 122.482 120.500 -0.474 0.000 2.474 666 R HA 0.220 4.560 4.340 0.000 0.000 0.295 666 R C -0.958 175.276 176.300 -0.110 0.000 0.980 666 R CA -0.738 55.219 56.100 -0.239 0.000 0.934 666 R CB 1.199 31.407 30.300 -0.154 0.000 1.101 666 R HN 0.466 nan 8.270 nan 0.000 0.469 667 D N 3.131 123.498 120.400 -0.055 0.000 2.336 667 D HA 0.046 4.686 4.640 0.000 0.000 0.249 667 D C 0.564 176.793 176.300 -0.118 0.000 1.213 667 D CA 0.099 54.064 54.000 -0.057 0.000 0.870 667 D CB 0.853 41.620 40.800 -0.056 0.000 1.076 667 D HN 0.536 nan 8.370 nan 0.000 0.483 668 R N 2.585 122.996 120.500 -0.148 0.000 2.120 668 R HA -0.137 4.203 4.340 0.000 0.000 0.234 668 R C 1.718 177.958 176.300 -0.101 0.000 1.123 668 R CA 1.211 57.243 56.100 -0.113 0.000 0.975 668 R CB 0.266 30.499 30.300 -0.110 0.000 0.866 668 R HN 0.557 nan 8.270 nan 0.000 0.446 669 E N -0.521 119.606 120.200 -0.121 0.000 2.016 669 E HA -0.119 4.231 4.350 0.000 0.000 0.190 669 E C 1.912 178.464 176.600 -0.080 0.000 0.985 669 E CA 1.705 58.047 56.400 -0.097 0.000 0.802 669 E CB 0.098 29.734 29.700 -0.107 0.000 0.762 669 E HN 0.366 nan 8.360 nan 0.000 0.448 670 T N -2.955 111.547 114.554 -0.087 0.000 3.081 670 T HA 0.189 4.539 4.350 0.000 0.000 0.250 670 T C 1.556 176.216 174.700 -0.066 0.000 1.100 670 T CA 0.641 62.698 62.100 -0.071 0.000 1.038 670 T CB 0.487 69.312 68.868 -0.071 0.000 0.962 670 T HN 0.323 nan 8.240 nan 0.000 0.516 671 G N 2.099 110.856 108.800 -0.072 0.000 2.196 671 G HA2 -0.334 3.627 3.960 0.000 0.000 0.268 671 G HA3 -0.334 3.627 3.960 0.000 0.000 0.268 671 G C -0.079 174.777 174.900 -0.073 0.000 0.975 671 G CA 0.526 45.586 45.100 -0.066 0.000 0.648 671 G HN 1.065 nan 8.290 nan 0.000 0.538 672 E N 0.767 120.918 120.200 -0.082 0.000 2.290 672 E HA 0.422 4.772 4.350 0.000 0.000 0.277 672 E C 0.269 176.790 176.600 -0.132 0.000 1.035 672 E CA -0.740 55.602 56.400 -0.096 0.000 0.873 672 E CB 1.343 30.983 29.700 -0.100 0.000 1.029 672 E HN 0.174 nan 8.360 nan 0.000 0.419 673 V N 5.228 125.065 119.914 -0.129 0.000 2.420 673 V HA -0.088 4.032 4.120 0.000 0.000 0.274 673 V C 1.307 177.251 176.094 -0.249 0.000 1.003 673 V CA 0.658 62.857 62.300 -0.169 0.000 1.092 673 V CB -0.025 31.737 31.823 -0.101 0.000 1.002 673 V HN 0.799 nan 8.190 nan 0.000 0.473 674 K N 4.721 124.857 120.400 -0.440 0.000 2.202 674 K HA 0.206 4.526 4.320 0.000 0.000 0.201 674 K C -0.007 176.066 176.600 -0.878 0.000 1.051 674 K CA 0.877 56.699 56.287 -0.775 0.000 0.977 674 K CB 0.278 32.093 32.500 -1.142 0.000 0.792 674 K HN 0.425 nan 8.250 nan 0.000 0.469 675 F N -0.172 119.598 119.950 -0.300 0.000 2.613 675 F HA 0.394 4.921 4.527 0.000 0.000 0.314 675 F C -0.069 175.783 175.800 0.085 0.000 1.075 675 F CA -1.155 56.772 58.000 -0.122 0.000 0.945 675 F CB 1.766 40.564 39.000 -0.338 0.000 1.310 675 F HN -0.098 nan 8.300 nan 0.000 0.467 676 T N -0.775 114.102 114.554 0.538 0.000 2.926 676 T HA 0.996 5.346 4.350 0.000 0.000 0.289 676 T C -0.915 174.176 174.700 0.652 0.000 1.054 676 T CA -0.879 61.528 62.100 0.512 0.000 1.015 676 T CB 2.124 71.181 68.868 0.315 0.000 1.167 676 T HN 1.171 nan 8.240 nan 0.000 0.526 677 A N 0.813 123.952 122.820 0.532 0.000 2.599 677 A HA 0.761 5.082 4.320 0.000 0.000 0.294 677 A C -0.165 177.657 177.584 0.396 0.000 1.055 677 A CA -0.499 51.790 52.037 0.419 0.000 0.683 677 A CB 0.897 20.132 19.000 0.391 0.000 1.278 677 A HN 1.579 nan 8.150 nan 0.000 0.412 678 S N 0.526 116.389 115.700 0.272 0.000 2.776 678 S HA 0.604 5.074 4.470 0.000 0.000 0.306 678 S C 0.817 175.589 174.600 0.287 0.000 1.114 678 S CA -0.522 57.854 58.200 0.293 0.000 0.973 678 S CB 0.974 64.275 63.200 0.169 0.000 1.250 678 S HN 0.723 nan 8.310 nan 0.000 0.549 679 R N -0.127 120.536 120.500 0.272 0.000 2.148 679 R HA 0.094 4.434 4.340 0.000 0.000 0.223 679 R C 2.339 178.681 176.300 0.070 0.000 1.088 679 R CA 1.047 57.262 56.100 0.192 0.000 0.985 679 R CB -0.780 29.629 30.300 0.182 0.000 0.880 679 R HN 0.741 nan 8.270 nan 0.000 0.451 680 A N 1.391 124.255 122.820 0.073 0.000 2.014 680 A HA -0.142 4.178 4.320 0.000 0.000 0.218 680 A C 1.333 179.016 177.584 0.165 0.000 1.163 680 A CA 1.343 53.421 52.037 0.067 0.000 0.652 680 A CB -0.123 18.895 19.000 0.029 0.000 0.808 680 A HN 0.157 nan 8.150 nan 0.000 0.449 681 D N 0.161 120.633 120.400 0.121 0.000 2.077 681 D HA -0.100 4.540 4.640 0.000 0.000 0.197 681 D C 1.679 178.082 176.300 0.171 0.000 0.983 681 D CA 0.998 55.099 54.000 0.169 0.000 0.841 681 D CB -0.465 40.362 40.800 0.045 0.000 0.992 681 D HN 0.237 nan 8.370 nan 0.000 0.450 682 L N 1.185 122.360 121.223 -0.079 0.000 2.265 682 L HA -0.074 4.266 4.340 0.000 0.000 0.215 682 L C 2.435 179.208 176.870 -0.163 0.000 1.117 682 L CA 0.704 55.372 54.840 -0.287 0.000 0.782 682 L CB -1.091 40.554 42.059 -0.690 0.000 0.914 682 L HN -0.067 nan 8.230 nan 0.000 0.441 683 V N -0.740 119.114 119.914 -0.100 0.000 2.453 683 V HA -0.316 3.804 4.120 0.000 0.000 0.252 683 V C 2.289 178.261 176.094 -0.203 0.000 1.068 683 V CA 1.619 63.817 62.300 -0.169 0.000 1.070 683 V CB -0.422 31.257 31.823 -0.240 0.000 0.664 683 V HN 0.340 nan 8.190 nan 0.000 0.461 684 F N 0.592 120.548 119.950 0.011 0.000 2.546 684 F HA 0.091 4.618 4.527 0.000 0.000 0.298 684 F C 2.104 177.924 175.800 0.033 0.000 1.120 684 F CA 1.181 59.231 58.000 0.082 0.000 1.456 684 F CB -0.470 38.686 39.000 0.260 0.000 1.088 684 F HN 0.300 nan 8.300 nan 0.000 0.572 685 G N -1.739 107.099 108.800 0.063 0.000 2.850 685 G HA2 -0.030 3.930 3.960 0.000 0.000 0.211 685 G HA3 -0.030 3.930 3.960 0.000 0.000 0.211 685 G C 1.519 176.390 174.900 -0.047 0.000 1.124 685 G CA 0.633 45.727 45.100 -0.010 0.000 0.769 685 G HN 0.367 nan 8.290 nan 0.000 0.535 686 S N -0.211 115.441 115.700 -0.080 0.000 2.497 686 S HA 0.124 4.594 4.470 0.000 0.000 0.221 686 S C 0.704 175.267 174.600 -0.062 0.000 1.037 686 S CA -0.160 57.996 58.200 -0.073 0.000 0.920 686 S CB -0.136 63.007 63.200 -0.094 0.000 0.800 686 S HN 0.211 nan 8.310 nan 0.000 0.505 687 N N 1.408 120.058 118.700 -0.085 0.000 2.497 687 N HA 0.288 5.028 4.740 0.000 0.000 0.268 687 N C 0.929 176.411 175.510 -0.048 0.000 1.171 687 N CA 0.287 53.290 53.050 -0.078 0.000 0.948 687 N CB 1.012 39.425 38.487 -0.124 0.000 1.069 687 N HN 0.101 nan 8.380 nan 0.000 0.460 688 S N 1.896 117.576 115.700 -0.033 0.000 2.353 688 S HA -0.134 4.336 4.470 0.000 0.000 0.222 688 S C 1.746 176.337 174.600 -0.015 0.000 1.035 688 S CA 1.063 59.252 58.200 -0.018 0.000 1.025 688 S CB -0.149 63.042 63.200 -0.015 0.000 0.902 688 S HN 0.471 nan 8.310 nan 0.000 0.440 689 V N 2.116 122.018 119.914 -0.020 0.000 2.287 689 V HA -0.180 3.940 4.120 0.000 0.000 0.248 689 V C 2.178 178.272 176.094 -0.000 0.000 1.053 689 V CA 1.678 63.971 62.300 -0.012 0.000 1.027 689 V CB -0.669 31.146 31.823 -0.013 0.000 0.646 689 V HN 0.429 nan 8.190 nan 0.000 0.447 690 L N -0.791 120.422 121.223 -0.016 0.000 2.056 690 L HA -0.164 4.176 4.340 0.000 0.000 0.207 690 L C 2.721 179.655 176.870 0.106 0.000 1.078 690 L CA 1.594 56.459 54.840 0.041 0.000 0.749 690 L CB -0.652 41.327 42.059 -0.134 0.000 0.901 690 L HN 0.217 nan 8.230 nan 0.000 0.433 691 R N 0.285 120.819 120.500 0.056 0.000 2.105 691 R HA -0.178 4.162 4.340 0.000 0.000 0.239 691 R C 2.276 178.593 176.300 0.028 0.000 1.135 691 R CA 1.441 57.577 56.100 0.061 0.000 0.967 691 R CB -0.228 30.089 30.300 0.029 0.000 0.861 691 R HN 0.370 nan 8.270 nan 0.000 0.442 692 A N -0.159 122.663 122.820 0.004 0.000 2.067 692 A HA -0.062 4.258 4.320 0.000 0.000 0.219 692 A C 2.046 179.587 177.584 -0.071 0.000 1.158 692 A CA 1.135 53.157 52.037 -0.025 0.000 0.661 692 A CB -0.006 18.980 19.000 -0.023 0.000 0.801 692 A HN 0.200 nan 8.150 nan 0.000 0.452 693 V N -0.797 119.078 119.914 -0.065 0.000 2.500 693 V HA -0.046 4.074 4.120 0.000 0.000 0.243 693 V C 2.945 178.867 176.094 -0.286 0.000 1.039 693 V CA 1.274 63.464 62.300 -0.184 0.000 1.053 693 V CB -1.114 30.667 31.823 -0.070 0.000 0.695 693 V HN 0.535 nan 8.190 nan 0.000 0.463 694 A N 0.629 123.405 122.820 -0.074 0.000 1.892 694 A HA -0.275 4.045 4.320 0.000 0.000 0.218 694 A C 2.134 179.665 177.584 -0.088 0.000 1.188 694 A CA 2.139 54.138 52.037 -0.064 0.000 0.631 694 A CB -0.549 18.582 19.000 0.220 0.000 0.822 694 A HN 0.652 nan 8.150 nan 0.000 0.447 695 E N -0.404 119.771 120.200 -0.043 0.000 2.086 695 E HA -0.198 4.152 4.350 0.000 0.000 0.200 695 E C 1.960 178.525 176.600 -0.059 0.000 1.012 695 E CA 1.494 57.880 56.400 -0.022 0.000 0.812 695 E CB -0.631 29.058 29.700 -0.019 0.000 0.743 695 E HN 0.380 nan 8.360 nan 0.000 0.453 696 V N 0.649 120.459 119.914 -0.173 0.000 2.392 696 V HA -0.236 3.884 4.120 0.000 0.000 0.249 696 V C 1.731 177.777 176.094 -0.079 0.000 1.059 696 V CA 1.666 63.853 62.300 -0.189 0.000 1.051 696 V CB -0.472 31.144 31.823 -0.346 0.000 0.658 696 V HN 0.261 nan 8.190 nan 0.000 0.455 697 Y N -0.719 119.508 120.300 -0.121 0.000 2.482 697 Y HA 0.376 4.926 4.550 0.000 0.000 0.270 697 Y C 2.045 177.962 175.900 0.028 0.000 1.152 697 Y CA -0.034 58.003 58.100 -0.105 0.000 1.292 697 Y CB -0.520 37.588 38.460 -0.587 0.000 1.070 697 Y HN 0.216 nan 8.280 nan 0.000 0.528 698 A N -1.236 121.687 122.820 0.173 0.000 2.308 698 A HA 0.168 4.488 4.320 0.000 0.000 0.217 698 A C 1.297 178.959 177.584 0.131 0.000 1.216 698 A CA 0.018 52.167 52.037 0.186 0.000 0.864 698 A CB -0.297 18.800 19.000 0.162 0.000 0.902 698 A HN 0.103 nan 8.150 nan 0.000 0.499 699 S N 0.699 116.472 115.700 0.122 0.000 2.579 699 S HA 0.176 4.646 4.470 0.000 0.000 0.275 699 S C 1.724 176.385 174.600 0.102 0.000 1.345 699 S CA 0.247 58.504 58.200 0.096 0.000 1.031 699 S CB 0.941 64.194 63.200 0.088 0.000 0.892 699 S HN 0.681 nan 8.310 nan 0.000 0.529 700 S N 2.004 117.750 115.700 0.077 0.000 2.392 700 S HA -0.217 4.253 4.470 0.000 0.000 0.232 700 S C 1.307 175.961 174.600 0.089 0.000 1.041 700 S CA 1.696 59.938 58.200 0.070 0.000 1.026 700 S CB -0.430 62.802 63.200 0.053 0.000 0.845 700 S HN 0.916 nan 8.310 nan 0.000 0.465 701 D N 1.405 121.865 120.400 0.101 0.000 2.338 701 D HA 0.204 4.844 4.640 0.000 0.000 0.208 701 D C 1.574 177.971 176.300 0.162 0.000 0.997 701 D CA 0.714 54.782 54.000 0.114 0.000 0.880 701 D CB -0.251 40.605 40.800 0.092 0.000 0.980 701 D HN 0.515 nan 8.370 nan 0.000 0.509 702 A N 0.809 123.742 122.820 0.187 0.000 2.265 702 A HA -0.078 4.242 4.320 0.000 0.000 0.213 702 A C 1.686 179.468 177.584 0.330 0.000 1.255 702 A CA 0.208 52.390 52.037 0.241 0.000 0.862 702 A CB -1.130 18.025 19.000 0.258 0.000 0.852 702 A HN 0.225 nan 8.150 nan 0.000 0.484 703 H N 1.791 120.972 119.070 0.186 0.000 2.353 703 H HA -0.222 4.334 4.556 0.000 0.000 0.298 703 H C 1.886 177.337 175.328 0.206 0.000 1.103 703 H CA 2.299 58.470 56.048 0.206 0.000 1.293 703 H CB 0.002 29.845 29.762 0.135 0.000 1.372 703 H HN 0.754 nan 8.280 nan 0.000 0.501 704 E N -0.539 119.702 120.200 0.069 0.000 2.190 704 E HA -0.059 4.291 4.350 0.000 0.000 0.191 704 E C 2.253 178.859 176.600 0.011 0.000 0.978 704 E CA 0.407 56.765 56.400 -0.071 0.000 0.839 704 E CB -0.035 29.646 29.700 -0.033 0.000 0.787 704 E HN 0.094 nan 8.360 nan 0.000 0.473 705 K N 0.489 120.959 120.400 0.117 0.000 2.057 705 K HA -0.140 4.180 4.320 0.000 0.000 0.206 705 K C 1.912 178.617 176.600 0.175 0.000 1.050 705 K CA 1.226 57.607 56.287 0.158 0.000 0.935 705 K CB -0.408 32.224 32.500 0.219 0.000 0.715 705 K HN 0.274 nan 8.250 nan 0.000 0.439 706 F N 1.728 121.724 119.950 0.077 0.000 2.069 706 F HA -0.224 4.303 4.527 0.000 0.000 0.298 706 F C 1.986 177.741 175.800 -0.075 0.000 1.113 706 F CA 1.351 59.248 58.000 -0.172 0.000 1.214 706 F CB -0.810 38.123 39.000 -0.111 0.000 0.978 706 F HN -0.221 nan 8.300 nan 0.000 0.474 707 V N 1.858 121.442 119.914 -0.550 0.000 2.252 707 V HA -0.400 3.720 4.120 0.000 0.000 0.249 707 V C 2.545 178.455 176.094 -0.305 0.000 1.056 707 V CA 2.856 64.811 62.300 -0.576 0.000 1.022 707 V CB -1.178 30.435 31.823 -0.349 0.000 0.641 707 V HN 0.554 nan 8.190 nan 0.000 0.445 708 K N -0.003 120.300 120.400 -0.161 0.000 2.148 708 K HA -0.171 4.149 4.320 0.000 0.000 0.204 708 K C 1.601 178.179 176.600 -0.037 0.000 1.050 708 K CA 2.016 58.264 56.287 -0.064 0.000 0.942 708 K CB -0.411 32.078 32.500 -0.017 0.000 0.724 708 K HN 0.339 nan 8.250 nan 0.000 0.446 709 D N 0.242 120.620 120.400 -0.036 0.000 2.178 709 D HA -0.129 4.511 4.640 0.000 0.000 0.202 709 D C 1.487 177.777 176.300 -0.017 0.000 0.974 709 D CA 0.833 54.852 54.000 0.031 0.000 0.841 709 D CB -0.156 40.733 40.800 0.149 0.000 0.953 709 D HN 0.317 nan 8.370 nan 0.000 0.478 710 F N 0.742 120.509 119.950 -0.304 0.000 2.163 710 F HA -0.126 4.401 4.527 0.000 0.000 0.297 710 F C 2.084 177.839 175.800 -0.075 0.000 1.094 710 F CA 0.784 58.626 58.000 -0.264 0.000 1.290 710 F CB -0.111 38.495 39.000 -0.656 0.000 1.017 710 F HN -0.235 nan 8.300 nan 0.000 0.483 711 V N 0.872 120.800 119.914 0.024 0.000 2.261 711 V HA -0.321 3.799 4.120 0.000 0.000 0.246 711 V C 2.799 178.892 176.094 -0.002 0.000 1.047 711 V CA 1.904 64.222 62.300 0.029 0.000 1.015 711 V CB -1.514 30.323 31.823 0.024 0.000 0.642 711 V HN 0.492 nan 8.190 nan 0.000 0.446 712 A N -0.079 122.729 122.820 -0.019 0.000 1.892 712 A HA -0.204 4.116 4.320 0.000 0.000 0.218 712 A C 2.404 179.960 177.584 -0.046 0.000 1.188 712 A CA 2.485 54.511 52.037 -0.017 0.000 0.631 712 A CB -0.862 18.139 19.000 0.001 0.000 0.822 712 A HN 0.604 nan 8.150 nan 0.000 0.447 713 A N -1.520 121.255 122.820 -0.075 0.000 1.898 713 A HA -0.150 4.170 4.320 0.000 0.000 0.216 713 A C 2.109 179.614 177.584 -0.132 0.000 1.181 713 A CA 1.289 53.274 52.037 -0.086 0.000 0.620 713 A CB -0.930 18.038 19.000 -0.054 0.000 0.819 713 A HN 0.858 nan 8.150 nan 0.000 0.442 714 W N 0.915 121.958 121.300 -0.429 0.000 2.321 714 W HA -0.200 4.460 4.660 0.000 0.000 0.306 714 W C 1.694 178.096 176.519 -0.196 0.000 1.217 714 W CA 2.345 59.471 57.345 -0.366 0.000 1.257 714 W CB -0.266 28.885 29.460 -0.515 0.000 1.145 714 W HN 0.208 nan 8.180 nan 0.000 0.509 715 V N 1.367 121.259 119.914 -0.037 0.000 2.358 715 V HA -0.295 3.825 4.120 0.000 0.000 0.246 715 V C 2.550 178.519 176.094 -0.209 0.000 1.047 715 V CA 2.344 64.585 62.300 -0.098 0.000 1.035 715 V CB -0.933 30.876 31.823 -0.023 0.000 0.658 715 V HN 0.123 nan 8.190 nan 0.000 0.452 716 K N 0.276 120.567 120.400 -0.183 0.000 2.026 716 K HA -0.158 4.162 4.320 0.000 0.000 0.208 716 K C 2.067 178.483 176.600 -0.307 0.000 1.048 716 K CA 1.817 57.982 56.287 -0.203 0.000 0.929 716 K CB -0.192 32.225 32.500 -0.137 0.000 0.713 716 K HN 0.333 nan 8.250 nan 0.000 0.439 717 V N 1.643 121.343 119.914 -0.358 0.000 2.343 717 V HA -0.268 3.852 4.120 0.000 0.000 0.247 717 V C 2.550 178.308 176.094 -0.560 0.000 1.051 717 V CA 1.524 63.532 62.300 -0.488 0.000 1.036 717 V CB -0.421 31.063 31.823 -0.565 0.000 0.654 717 V HN 0.401 nan 8.190 nan 0.000 0.451 718 M N 0.368 119.621 119.600 -0.578 0.000 2.202 718 M HA -0.120 4.360 4.480 0.000 0.000 0.262 718 M C 1.464 177.515 176.300 -0.415 0.000 1.063 718 M CA 1.502 56.497 55.300 -0.508 0.000 1.097 718 M CB -1.277 31.060 32.600 -0.439 0.000 1.382 718 M HN 0.402 nan 8.290 nan 0.000 0.413 719 N N -0.177 118.281 118.700 -0.403 0.000 2.230 719 N HA 0.185 4.925 4.740 0.000 0.000 0.202 719 N C 1.566 176.790 175.510 -0.476 0.000 1.119 719 N CA 0.060 52.880 53.050 -0.383 0.000 0.851 719 N CB 0.266 38.572 38.487 -0.302 0.000 0.990 719 N HN 0.326 nan 8.380 nan 0.000 0.497 720 L N 0.930 121.788 121.223 -0.608 0.000 2.012 720 L HA -0.207 4.133 4.340 0.000 0.000 0.210 720 L C 1.434 177.712 176.870 -0.986 0.000 1.073 720 L CA 1.502 55.798 54.840 -0.908 0.000 0.748 720 L CB -0.254 40.968 42.059 -1.395 0.000 0.891 720 L HN 0.155 nan 8.230 nan 0.000 0.431 721 D N -0.836 119.067 120.400 -0.830 0.000 2.325 721 D HA -0.090 4.550 4.640 0.000 0.000 0.234 721 D C 0.582 176.190 176.300 -1.154 0.000 1.122 721 D CA 0.062 53.526 54.000 -0.893 0.000 0.850 721 D CB -0.147 40.494 40.800 -0.265 0.000 0.921 721 D HN 0.088 nan 8.370 nan 0.000 0.513 722 R N 0.986 121.008 120.500 -0.796 0.000 4.390 722 R HA 0.145 4.486 4.340 0.000 0.000 0.229 722 R C 0.193 176.275 176.300 -0.365 0.000 1.674 722 R CA -0.397 55.398 56.100 -0.509 0.000 1.526 722 R CB -0.855 29.244 30.300 -0.336 0.000 1.418 722 R HN 0.163 nan 8.270 nan 0.000 0.790 723 F N 0.998 120.923 119.950 -0.042 0.000 2.202 723 F HA -0.190 4.337 4.527 0.000 0.000 0.301 723 F C 1.881 177.663 175.800 -0.030 0.000 1.082 723 F CA 1.064 59.049 58.000 -0.025 0.000 1.313 723 F CB -0.285 38.716 39.000 0.001 0.000 1.024 723 F HN 0.268 nan 8.300 nan 0.000 0.495 724 D N -0.001 120.454 120.400 0.092 0.000 2.434 724 D HA -0.014 4.626 4.640 0.000 0.000 0.232 724 D C 1.188 177.487 176.300 -0.000 0.000 1.166 724 D CA 0.371 54.401 54.000 0.050 0.000 0.830 724 D CB -0.291 40.532 40.800 0.038 0.000 0.960 724 D HN 0.373 nan 8.370 nan 0.000 0.497 725 L N -0.155 121.056 121.223 -0.020 0.000 2.840 725 L HA 0.232 4.572 4.340 0.000 0.000 0.249 725 L C 0.614 177.468 176.870 -0.026 0.000 1.119 725 L CA -0.088 54.727 54.840 -0.041 0.000 0.930 725 L CB 0.469 42.475 42.059 -0.087 0.000 1.295 725 L HN 0.102 nan 8.230 nan 0.000 0.534 726 L N 0.000 121.220 121.223 -0.005 0.000 2.949 726 L HA 0.000 4.340 4.340 0.000 0.000 0.249 726 L CA 0.000 54.842 54.840 0.003 0.000 0.813 726 L CB 0.000 42.061 42.059 0.004 0.000 0.961 726 L HN 0.000 nan 8.230 nan 0.000 0.502