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 3ccz_1_C DATA FIRST_RESID 444 DATA SEQUENCE PNEECLQILG NXXXGAKFLS DAEIIQLVXX XXXXXXXXET LIETHERGVS DATA SEQUENCE IRRQLLSKKL SEPSSLQYLP YRDYNYSLVM GACCENVIGY MPIPVGVAGP DATA SEQUENCE LCLDEKEFQV PMATTEGCLV ASTNRGCRAI GLGGGASSRV LADGMTRGPV DATA SEQUENCE VRLPRACDSA EVKAWLETSE GFAVIKEAFD STSRFARLQK LHTSIAGRNL DATA SEQUENCE YIRFQSRSGD AMGMNMISKG TEKALSKLHE YFPEMQILAV SGNYCTDKKP DATA SEQUENCE AAINWIEGRG KSVVCEAVIP AKVVREVLKT TTEAMIEVNI NKNLVGSAMA DATA SEQUENCE GSIGGYNAHA ANIVTAIYIA CGQDAAQNVG SSNCITLMEA SGPTNEDLYI DATA SEQUENCE SCTMPSIEIG TVGGGTNLLP QQACLQMLGV QGACKDNPGE NARQLARIVC DATA SEQUENCE GTVMAGELSL MAALAAG 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 444 P HA 0.000 nan 4.420 nan 0.000 0.216 444 P C 0.000 177.302 177.300 0.003 0.000 1.155 444 P CA 0.000 63.103 63.100 0.004 0.000 0.800 444 P CB 0.000 31.703 31.700 0.006 0.000 0.726 445 N N -0.935 117.766 118.700 0.001 0.000 2.979 445 N HA 0.035 4.775 4.740 -0.000 0.000 0.247 445 N C 0.918 176.427 175.510 -0.001 0.000 1.012 445 N CA 0.032 53.082 53.050 0.000 0.000 1.061 445 N CB 0.221 38.707 38.487 -0.001 0.000 1.677 445 N HN 0.338 nan 8.380 nan 0.000 0.558 446 E N 1.083 121.281 120.200 -0.002 0.000 2.158 446 E HA -0.109 4.241 4.350 -0.000 0.000 0.191 446 E C 1.185 177.781 176.600 -0.006 0.000 0.982 446 E CA 0.676 57.073 56.400 -0.004 0.000 0.823 446 E CB 0.090 29.787 29.700 -0.005 0.000 0.766 446 E HN 0.466 nan 8.360 nan 0.000 0.468 447 E N 0.174 120.370 120.200 -0.005 0.000 2.208 447 E HA -0.117 4.233 4.350 -0.000 0.000 0.193 447 E C 1.788 178.385 176.600 -0.005 0.000 0.988 447 E CA 0.638 57.033 56.400 -0.008 0.000 0.828 447 E CB 0.088 29.784 29.700 -0.007 0.000 0.763 447 E HN 0.144 nan 8.360 nan 0.000 0.478 448 C N 0.190 119.491 119.300 0.001 0.000 2.435 448 C HA -0.034 4.426 4.460 -0.000 0.000 0.279 448 C C 2.404 177.398 174.990 0.005 0.000 1.321 448 C CA 0.282 59.304 59.018 0.008 0.000 1.752 448 C CB -0.809 26.936 27.740 0.010 0.000 1.959 448 C HN 0.459 nan 8.230 nan 0.000 0.500 449 L N 0.231 121.454 121.223 -0.000 0.000 2.109 449 L HA -0.162 4.178 4.340 -0.000 0.000 0.207 449 L C 2.741 179.607 176.870 -0.006 0.000 1.086 449 L CA 1.358 56.197 54.840 -0.002 0.000 0.760 449 L CB -0.671 41.386 42.059 -0.004 0.000 0.910 449 L HN 0.424 nan 8.230 nan 0.000 0.437 450 Q N -0.034 119.758 119.800 -0.013 0.000 2.119 450 Q HA -0.132 4.208 4.340 -0.000 0.000 0.201 450 Q C 2.306 178.286 176.000 -0.033 0.000 0.972 450 Q CA 1.277 57.066 55.803 -0.023 0.000 0.847 450 Q CB -0.029 28.691 28.738 -0.029 0.000 0.903 450 Q HN 0.536 nan 8.270 nan 0.000 0.433 451 I N 0.379 120.930 120.570 -0.031 0.000 2.439 451 I HA -0.229 3.940 4.170 -0.000 0.000 0.251 451 I C 2.181 178.296 176.117 -0.004 0.000 1.139 451 I CA 0.612 61.886 61.300 -0.044 0.000 1.438 451 I CB -0.040 37.945 38.000 -0.025 0.000 1.085 451 I HN 0.171 nan 8.210 nan 0.000 0.427 452 L N 0.602 121.833 121.223 0.013 0.000 2.201 452 L HA -0.044 4.296 4.340 -0.000 0.000 0.212 452 L C 2.353 179.234 176.870 0.017 0.000 1.105 452 L CA 1.404 56.260 54.840 0.026 0.000 0.775 452 L CB -0.468 41.603 42.059 0.020 0.000 0.913 452 L HN 0.221 nan 8.230 nan 0.000 0.440 453 G N -0.345 108.456 108.800 0.002 0.000 2.422 453 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.218 453 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.218 453 G C 0.864 175.763 174.900 -0.001 0.000 1.140 453 G CA 0.154 45.253 45.100 -0.001 0.000 0.775 453 G HN 0.372 nan 8.290 nan 0.000 0.545 459 A N -0.501 122.397 122.820 0.131 0.000 2.067 459 A HA 0.181 4.500 4.320 -0.000 0.000 0.217 459 A C 1.987 179.610 177.584 0.065 0.000 1.156 459 A CA 2.036 54.125 52.037 0.086 0.000 0.683 459 A CB -0.303 18.723 19.000 0.044 0.000 0.808 459 A HN 0.479 nan 8.150 nan 0.000 0.455 460 K N -0.887 119.526 120.400 0.022 0.000 2.148 460 K HA -0.107 4.213 4.320 -0.000 0.000 0.204 460 K C 1.310 177.812 176.600 -0.163 0.000 1.050 460 K CA 1.276 57.493 56.287 -0.118 0.000 0.942 460 K CB -0.252 32.094 32.500 -0.255 0.000 0.724 460 K HN 0.496 nan 8.250 nan 0.000 0.446 461 F N 1.316 121.271 119.950 0.008 0.000 2.259 461 F HA -0.006 4.521 4.527 -0.000 0.000 0.298 461 F C 1.087 176.891 175.800 0.006 0.000 1.088 461 F CA 0.285 58.289 58.000 0.007 0.000 1.358 461 F CB -0.125 38.878 39.000 0.005 0.000 1.040 461 F HN -0.135 nan 8.300 nan 0.000 0.505 462 L N 0.338 121.667 121.223 0.175 0.000 2.452 462 L HA 0.174 4.514 4.340 -0.000 0.000 0.267 462 L C 0.890 177.793 176.870 0.056 0.000 1.188 462 L CA -0.582 54.316 54.840 0.098 0.000 0.821 462 L CB 0.615 42.719 42.059 0.075 0.000 1.102 462 L HN 0.047 nan 8.230 nan 0.000 0.470 463 S N -0.330 115.395 115.700 0.042 0.000 2.713 463 S HA 0.223 4.693 4.470 -0.000 0.000 0.277 463 S C 0.356 174.967 174.600 0.018 0.000 1.168 463 S CA -0.666 57.550 58.200 0.026 0.000 0.994 463 S CB 1.355 64.569 63.200 0.024 0.000 1.054 463 S HN 0.605 nan 8.310 nan 0.000 0.555 464 D N 0.941 121.349 120.400 0.012 0.000 2.117 464 D HA 0.107 4.747 4.640 -0.000 0.000 0.198 464 D C 2.085 178.386 176.300 0.002 0.000 0.982 464 D CA 1.705 55.709 54.000 0.006 0.000 0.828 464 D CB -0.576 40.228 40.800 0.006 0.000 0.967 464 D HN 0.666 nan 8.370 nan 0.000 0.464 465 A N 0.429 123.251 122.820 0.004 0.000 2.066 465 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 465 A C 1.916 179.502 177.584 0.003 0.000 1.157 465 A CA 1.102 53.139 52.037 0.001 0.000 0.670 465 A CB -0.352 18.649 19.000 0.002 0.000 0.804 465 A HN 0.159 nan 8.150 nan 0.000 0.453 466 E N -0.361 119.844 120.200 0.008 0.000 2.107 466 E HA -0.062 4.288 4.350 -0.000 0.000 0.191 466 E C 1.693 178.297 176.600 0.006 0.000 0.982 466 E CA 0.988 57.394 56.400 0.010 0.000 0.809 466 E CB -0.182 29.529 29.700 0.018 0.000 0.756 466 E HN 0.698 nan 8.360 nan 0.000 0.459 467 I N 0.784 121.357 120.570 0.006 0.000 2.439 467 I HA -0.217 3.953 4.170 -0.000 0.000 0.251 467 I C 2.107 178.220 176.117 -0.006 0.000 1.139 467 I CA 0.872 62.173 61.300 0.001 0.000 1.438 467 I CB -0.064 37.935 38.000 -0.000 0.000 1.085 467 I HN 0.086 nan 8.210 nan 0.000 0.427 468 I N 0.153 120.718 120.570 -0.008 0.000 2.394 468 I HA -0.269 3.901 4.170 -0.000 0.000 0.251 468 I C 2.613 178.725 176.117 -0.010 0.000 1.136 468 I CA 1.131 62.424 61.300 -0.012 0.000 1.425 468 I CB -0.331 37.660 38.000 -0.015 0.000 1.079 468 I HN 0.321 nan 8.210 nan 0.000 0.425 469 Q N 0.690 120.486 119.800 -0.006 0.000 2.119 469 Q HA -0.204 4.136 4.340 -0.000 0.000 0.201 469 Q C 2.280 178.277 176.000 -0.005 0.000 0.972 469 Q CA 1.425 57.225 55.803 -0.005 0.000 0.847 469 Q CB 0.126 28.863 28.738 -0.002 0.000 0.903 469 Q HN 0.387 nan 8.270 nan 0.000 0.433 470 L N -0.365 120.855 121.223 -0.004 0.000 2.027 470 L HA -0.103 4.237 4.340 -0.000 0.000 0.206 470 L C 1.181 178.047 176.870 -0.007 0.000 1.074 470 L CA 0.993 55.830 54.840 -0.004 0.000 0.745 470 L CB -0.456 41.601 42.059 -0.003 0.000 0.898 470 L HN -0.032 nan 8.230 nan 0.000 0.433 483 T N -0.257 114.254 114.554 -0.072 0.000 3.014 483 T HA 0.077 4.427 4.350 -0.000 0.000 0.263 483 T C 1.706 176.386 174.700 -0.033 0.000 1.078 483 T CA 0.855 62.924 62.100 -0.052 0.000 1.135 483 T CB -0.021 68.830 68.868 -0.029 0.000 0.895 483 T HN 0.051 nan 8.240 nan 0.000 0.480 484 L N 0.679 121.884 121.223 -0.029 0.000 2.027 484 L HA 0.311 4.651 4.340 -0.000 0.000 0.206 484 L C 1.275 178.140 176.870 -0.008 0.000 1.074 484 L CA 1.078 55.911 54.840 -0.012 0.000 0.745 484 L CB -0.554 41.498 42.059 -0.011 0.000 0.898 484 L HN 0.305 nan 8.230 nan 0.000 0.433 485 I N -0.484 120.073 120.570 -0.022 0.000 2.720 485 I HA -0.023 4.147 4.170 -0.000 0.000 0.287 485 I C 1.324 177.435 176.117 -0.011 0.000 1.090 485 I CA -0.164 61.128 61.300 -0.015 0.000 1.384 485 I CB 0.913 38.898 38.000 -0.025 0.000 1.420 485 I HN 0.138 nan 8.210 nan 0.000 0.575 486 E N 1.803 122.010 120.200 0.011 0.000 2.008 486 E HA -0.067 4.283 4.350 -0.000 0.000 0.191 486 E C 0.613 177.254 176.600 0.069 0.000 0.986 486 E CA 1.046 57.465 56.400 0.031 0.000 0.807 486 E CB -0.299 29.415 29.700 0.024 0.000 0.766 486 E HN 0.795 nan 8.360 nan 0.000 0.450 487 T N -1.340 113.266 114.554 0.088 0.000 2.902 487 T HA 0.233 4.583 4.350 -0.000 0.000 0.280 487 T C 0.348 175.171 174.700 0.204 0.000 0.992 487 T CA -0.623 61.587 62.100 0.184 0.000 1.015 487 T CB 1.000 69.946 68.868 0.130 0.000 1.044 487 T HN -0.002 nan 8.240 nan 0.000 0.520 488 H N -0.430 118.677 119.070 0.061 0.000 2.403 488 H HA 0.172 4.728 4.556 -0.000 0.000 0.298 488 H C 2.122 177.457 175.328 0.012 0.000 1.059 488 H CA 1.381 57.463 56.048 0.058 0.000 1.363 488 H CB -0.024 29.823 29.762 0.142 0.000 1.410 488 H HN 0.826 nan 8.280 nan 0.000 0.528 489 E N 0.883 121.231 120.200 0.247 0.000 2.150 489 E HA -0.158 4.192 4.350 -0.000 0.000 0.193 489 E C 2.227 178.914 176.600 0.145 0.000 0.985 489 E CA 0.340 56.870 56.400 0.215 0.000 0.814 489 E CB 0.186 30.059 29.700 0.289 0.000 0.752 489 E HN 0.298 nan 8.360 nan 0.000 0.466 490 R N -0.296 120.269 120.500 0.108 0.000 2.092 490 R HA -0.085 4.255 4.340 -0.000 0.000 0.231 490 R C 2.275 178.586 176.300 0.018 0.000 1.119 490 R CA 1.307 57.450 56.100 0.072 0.000 0.970 490 R CB -0.345 29.987 30.300 0.053 0.000 0.864 490 R HN 0.184 nan 8.270 nan 0.000 0.440 491 G N -0.196 108.593 108.800 -0.017 0.000 2.422 491 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.218 491 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.218 491 G C 1.318 176.157 174.900 -0.102 0.000 1.140 491 G CA 0.689 45.750 45.100 -0.065 0.000 0.775 491 G HN 0.215 nan 8.290 nan 0.000 0.545 492 V N 0.550 120.380 119.914 -0.140 0.000 2.548 492 V HA -0.117 4.003 4.120 -0.000 0.000 0.249 492 V C 2.950 178.919 176.094 -0.209 0.000 1.055 492 V CA 1.971 64.151 62.300 -0.201 0.000 1.065 492 V CB 0.035 31.666 31.823 -0.320 0.000 0.681 492 V HN 0.461 nan 8.190 nan 0.000 0.462 493 S N -0.148 115.480 115.700 -0.120 0.000 2.368 493 S HA -0.126 4.344 4.470 -0.000 0.000 0.224 493 S C 1.874 176.390 174.600 -0.141 0.000 1.029 493 S CA 1.402 59.500 58.200 -0.171 0.000 0.988 493 S CB -0.247 62.990 63.200 0.061 0.000 0.838 493 S HN 0.428 nan 8.310 nan 0.000 0.462 494 I N 1.473 121.993 120.570 -0.083 0.000 2.394 494 I HA 0.015 4.185 4.170 -0.000 0.000 0.251 494 I C 2.554 178.620 176.117 -0.085 0.000 1.136 494 I CA 1.009 62.269 61.300 -0.067 0.000 1.425 494 I CB -0.330 37.644 38.000 -0.043 0.000 1.079 494 I HN 0.218 nan 8.210 nan 0.000 0.425 495 R N 0.272 120.710 120.500 -0.103 0.000 2.115 495 R HA -0.084 4.256 4.340 -0.000 0.000 0.230 495 R C 2.338 178.568 176.300 -0.116 0.000 1.111 495 R CA 1.069 57.109 56.100 -0.099 0.000 0.976 495 R CB -0.003 30.236 30.300 -0.101 0.000 0.870 495 R HN 0.259 nan 8.270 nan 0.000 0.445 496 R N -0.349 120.050 120.500 -0.169 0.000 2.115 496 R HA -0.063 4.277 4.340 -0.000 0.000 0.226 496 R C 2.286 178.505 176.300 -0.136 0.000 1.100 496 R CA 1.287 57.275 56.100 -0.187 0.000 0.980 496 R CB 0.014 30.119 30.300 -0.324 0.000 0.875 496 R HN 0.320 nan 8.270 nan 0.000 0.445 497 Q N 0.250 119.980 119.800 -0.117 0.000 2.123 497 Q HA -0.058 4.282 4.340 -0.000 0.000 0.199 497 Q C 2.070 178.033 176.000 -0.061 0.000 0.966 497 Q CA 1.028 56.783 55.803 -0.080 0.000 0.845 497 Q CB 0.053 28.753 28.738 -0.064 0.000 0.907 497 Q HN 0.299 nan 8.270 nan 0.000 0.439 498 L N 0.153 121.340 121.223 -0.059 0.000 2.093 498 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 498 L C 2.260 179.103 176.870 -0.045 0.000 1.085 498 L CA 0.521 55.334 54.840 -0.046 0.000 0.755 498 L CB -0.320 41.714 42.059 -0.043 0.000 0.904 498 L HN 0.246 nan 8.230 nan 0.000 0.435 499 L N -0.372 120.818 121.223 -0.055 0.000 2.093 499 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 499 L C 2.753 179.596 176.870 -0.045 0.000 1.085 499 L CA 1.957 56.768 54.840 -0.049 0.000 0.755 499 L CB -0.507 41.517 42.059 -0.059 0.000 0.904 499 L HN 0.352 nan 8.230 nan 0.000 0.435 500 S N -1.174 114.495 115.700 -0.052 0.000 2.383 500 S HA -0.211 4.259 4.470 -0.000 0.000 0.227 500 S C 1.979 176.558 174.600 -0.034 0.000 1.026 500 S CA 1.152 59.324 58.200 -0.046 0.000 0.981 500 S CB -0.566 62.602 63.200 -0.053 0.000 0.818 500 S HN 0.526 nan 8.310 nan 0.000 0.472 501 K N 1.194 121.575 120.400 -0.032 0.000 2.217 501 K HA 0.085 4.405 4.320 -0.000 0.000 0.202 501 K C 2.107 178.695 176.600 -0.021 0.000 1.051 501 K CA 0.993 57.266 56.287 -0.024 0.000 0.952 501 K CB -0.060 32.426 32.500 -0.023 0.000 0.736 501 K HN 0.415 nan 8.250 nan 0.000 0.453 502 K N 0.475 120.862 120.400 -0.022 0.000 2.228 502 K HA 0.047 4.367 4.320 -0.000 0.000 0.202 502 K C 0.418 177.008 176.600 -0.017 0.000 1.051 502 K CA 0.340 56.616 56.287 -0.019 0.000 0.960 502 K CB 0.075 32.563 32.500 -0.020 0.000 0.743 502 K HN 0.031 nan 8.250 nan 0.000 0.458 503 L N 1.356 122.567 121.223 -0.019 0.000 2.417 503 L HA 0.016 4.356 4.340 -0.000 0.000 0.268 503 L C 1.693 178.555 176.870 -0.013 0.000 1.158 503 L CA -0.377 54.454 54.840 -0.016 0.000 0.819 503 L CB 1.311 43.358 42.059 -0.019 0.000 1.112 503 L HN 0.138 nan 8.230 nan 0.000 0.458 504 S N 0.452 116.147 115.700 -0.009 0.000 2.402 504 S HA -0.151 4.319 4.470 -0.000 0.000 0.229 504 S C 0.702 175.298 174.600 -0.007 0.000 1.021 504 S CA 0.617 58.813 58.200 -0.007 0.000 0.974 504 S CB -0.137 63.060 63.200 -0.005 0.000 0.800 504 S HN 0.670 nan 8.310 nan 0.000 0.484 505 E N 1.897 122.093 120.200 -0.007 0.000 2.256 505 E HA 0.409 4.759 4.350 -0.000 0.000 0.243 505 E C -2.339 174.254 176.600 -0.011 0.000 0.925 505 E CA -2.534 53.862 56.400 -0.006 0.000 0.748 505 E CB 1.426 31.127 29.700 0.000 0.000 1.206 505 E HN 0.071 nan 8.360 nan 0.000 0.428 506 P HA -0.154 nan 4.420 nan 0.000 0.223 506 P C 0.692 177.974 177.300 -0.030 0.000 1.144 506 P CA 0.943 64.028 63.100 -0.025 0.000 0.783 506 P CB 0.189 31.874 31.700 -0.024 0.000 0.771 507 S N -2.609 113.077 115.700 -0.023 0.000 2.701 507 S HA 0.103 4.572 4.470 -0.000 0.000 0.220 507 S C 1.622 176.210 174.600 -0.020 0.000 0.954 507 S CA 0.092 58.274 58.200 -0.031 0.000 0.936 507 S CB -0.939 62.248 63.200 -0.021 0.000 0.777 507 S HN -0.027 nan 8.310 nan 0.000 0.518 508 S N 2.090 117.783 115.700 -0.012 0.000 2.383 508 S HA 0.140 4.610 4.470 -0.000 0.000 0.227 508 S C 1.484 176.083 174.600 -0.001 0.000 1.026 508 S CA 0.941 59.144 58.200 0.004 0.000 0.981 508 S CB -0.415 62.784 63.200 -0.002 0.000 0.818 508 S HN 0.565 nan 8.310 nan 0.000 0.472 509 L N 1.473 122.676 121.223 -0.033 0.000 2.610 509 L HA 0.060 4.400 4.340 -0.000 0.000 0.232 509 L C 2.459 179.291 176.870 -0.063 0.000 1.149 509 L CA 0.296 55.107 54.840 -0.049 0.000 0.872 509 L CB -0.446 41.565 42.059 -0.080 0.000 0.992 509 L HN 0.350 nan 8.230 nan 0.000 0.447 510 Q N 0.436 120.175 119.800 -0.103 0.000 2.077 510 Q HA -0.241 4.099 4.340 -0.000 0.000 0.206 510 Q C 1.449 177.273 176.000 -0.293 0.000 0.989 510 Q CA 2.105 57.764 55.803 -0.240 0.000 0.853 510 Q CB -0.064 28.439 28.738 -0.392 0.000 0.907 510 Q HN 0.582 nan 8.270 nan 0.000 0.418 511 Y N -0.772 119.523 120.300 -0.010 0.000 2.458 511 Y HA 0.158 4.708 4.550 -0.000 0.000 0.256 511 Y C -0.084 175.788 175.900 -0.047 0.000 1.159 511 Y CA -0.839 57.250 58.100 -0.019 0.000 1.261 511 Y CB 0.782 39.231 38.460 -0.018 0.000 1.119 511 Y HN 0.125 nan 8.280 nan 0.000 0.524 512 L N 4.751 126.006 121.223 0.053 0.000 2.385 512 L HA 0.313 4.653 4.340 -0.000 0.000 0.281 512 L C -2.355 174.479 176.870 -0.059 0.000 1.106 512 L CA -2.213 52.608 54.840 -0.032 0.000 0.856 512 L CB 0.046 42.083 42.059 -0.038 0.000 1.186 512 L HN -0.152 nan 8.230 nan 0.000 0.453 513 P HA 0.175 nan 4.420 nan 0.000 0.276 513 P C -0.985 176.200 177.300 -0.191 0.000 1.252 513 P CA 0.133 63.087 63.100 -0.244 0.000 0.802 513 P CB 0.939 32.339 31.700 -0.501 0.000 1.035 514 Y N -1.907 118.370 120.300 -0.038 0.000 2.473 514 Y HA 0.394 4.944 4.550 -0.000 0.000 0.291 514 Y C 0.554 176.728 175.900 0.457 0.000 1.042 514 Y CA -0.638 57.627 58.100 0.274 0.000 0.996 514 Y CB -0.215 38.356 38.460 0.185 0.000 1.385 514 Y HN -0.010 nan 8.280 nan 0.000 0.578 515 R N 3.059 123.251 120.500 -0.514 0.000 2.694 515 R HA 0.115 4.455 4.340 -0.000 0.000 0.268 515 R C -0.299 176.014 176.300 0.022 0.000 1.061 515 R CA 1.165 57.056 56.100 -0.348 0.000 1.133 515 R CB -0.047 29.979 30.300 -0.457 0.000 1.020 515 R HN 0.383 nan 8.270 nan 0.000 0.475 516 D N -0.309 120.113 120.400 0.035 0.000 2.945 516 D HA -0.268 4.372 4.640 -0.000 0.000 0.225 516 D C -0.921 175.386 176.300 0.011 0.000 1.158 516 D CA 1.168 55.182 54.000 0.024 0.000 0.805 516 D CB -1.346 39.458 40.800 0.007 0.000 1.098 516 D HN 0.419 nan 8.370 nan 0.000 0.426 517 Y N 1.087 121.298 120.300 -0.149 0.000 2.409 517 Y HA 0.415 4.965 4.550 -0.000 0.000 0.339 517 Y C 0.221 175.833 175.900 -0.481 0.000 1.033 517 Y CA -1.358 56.495 58.100 -0.412 0.000 1.094 517 Y CB 1.105 39.188 38.460 -0.629 0.000 1.210 517 Y HN -0.224 nan 8.280 nan 0.000 0.456 518 N N 4.504 122.492 118.700 -1.188 0.000 2.466 518 N HA 0.018 4.758 4.740 -0.000 0.000 0.263 518 N C -0.572 174.519 175.510 -0.698 0.000 1.178 518 N CA 0.457 53.047 53.050 -0.766 0.000 0.983 518 N CB -0.358 37.763 38.487 -0.611 0.000 1.331 518 N HN 0.703 nan 8.380 nan 0.000 0.500 519 Y N 0.457 120.689 120.300 -0.113 0.000 2.529 519 Y HA -0.057 4.493 4.550 -0.000 0.000 0.290 519 Y C 2.343 178.289 175.900 0.077 0.000 1.177 519 Y CA 0.292 58.460 58.100 0.113 0.000 1.305 519 Y CB 0.160 38.782 38.460 0.270 0.000 1.047 519 Y HN 0.576 nan 8.280 nan 0.000 0.522 520 S N 0.022 115.696 115.700 -0.043 0.000 2.382 520 S HA -0.169 4.301 4.470 -0.000 0.000 0.228 520 S C 1.581 176.192 174.600 0.019 0.000 1.027 520 S CA 1.132 59.246 58.200 -0.143 0.000 0.991 520 S CB -0.672 62.359 63.200 -0.282 0.000 0.823 520 S HN 0.539 nan 8.310 nan 0.000 0.469 521 L N 0.784 121.999 121.223 -0.013 0.000 2.509 521 L HA 0.218 4.557 4.340 -0.000 0.000 0.222 521 L C 2.009 178.921 176.870 0.070 0.000 1.123 521 L CA 0.061 54.906 54.840 0.009 0.000 0.856 521 L CB -0.068 41.964 42.059 -0.046 0.000 0.985 521 L HN 0.231 nan 8.230 nan 0.000 0.456 522 V N -1.455 118.542 119.914 0.138 0.000 2.825 522 V HA 0.056 4.176 4.120 -0.000 0.000 0.246 522 V C 1.108 177.316 176.094 0.191 0.000 1.068 522 V CA 0.432 62.849 62.300 0.195 0.000 1.088 522 V CB -0.102 31.915 31.823 0.322 0.000 0.733 522 V HN 0.205 nan 8.190 nan 0.000 0.468 523 M N 0.992 120.727 119.600 0.225 0.000 2.217 523 M HA 0.398 4.878 4.480 -0.000 0.000 0.352 523 M C 1.277 177.647 176.300 0.116 0.000 1.376 523 M CA 0.117 55.520 55.300 0.172 0.000 1.107 523 M CB -0.849 31.869 32.600 0.197 0.000 1.723 523 M HN 0.384 nan 8.290 nan 0.000 0.461 524 G N 2.587 111.433 108.800 0.077 0.000 2.221 524 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.265 524 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.265 524 G C 0.445 175.378 174.900 0.056 0.000 1.041 524 G CA 0.684 45.817 45.100 0.056 0.000 0.807 524 G HN 1.153 nan 8.290 nan 0.000 0.502 525 A N -2.999 119.858 122.820 0.063 0.000 1.472 525 A HA 0.431 4.750 4.320 -0.000 0.000 0.214 525 A C 1.654 179.271 177.584 0.056 0.000 1.836 525 A CA 1.559 53.629 52.037 0.055 0.000 1.436 525 A CB -0.261 18.773 19.000 0.057 0.000 1.362 525 A HN 0.956 nan 8.150 nan 0.000 0.359 526 C N -0.964 118.380 119.300 0.074 0.000 3.123 526 C HA 0.611 5.071 4.460 -0.000 0.000 0.399 526 C C 0.586 175.624 174.990 0.079 0.000 1.320 526 C CA 0.130 59.193 59.018 0.074 0.000 1.949 526 C CB -0.153 27.639 27.740 0.087 0.000 2.692 526 C HN 0.703 nan 8.230 nan 0.000 0.623 527 C N 1.120 120.476 119.300 0.093 0.000 3.171 527 C HA 0.639 5.099 4.460 -0.000 0.000 0.336 527 C C -1.844 173.193 174.990 0.078 0.000 1.198 527 C CA -0.241 58.829 59.018 0.088 0.000 1.319 527 C CB 1.115 28.923 27.740 0.112 0.000 1.682 527 C HN 0.524 nan 8.230 nan 0.000 0.497 528 E N 1.882 122.115 120.200 0.055 0.000 2.320 528 E HA 0.544 4.894 4.350 -0.000 0.000 0.264 528 E C -0.333 176.281 176.600 0.025 0.000 0.923 528 E CA -0.429 55.993 56.400 0.036 0.000 0.796 528 E CB 0.622 30.336 29.700 0.024 0.000 1.262 528 E HN 0.599 nan 8.360 nan 0.000 0.428 529 N N -0.646 118.058 118.700 0.006 0.000 2.725 529 N HA -0.145 4.595 4.740 -0.000 0.000 0.251 529 N C -0.992 174.512 175.510 -0.009 0.000 1.031 529 N CA 0.451 53.496 53.050 -0.009 0.000 0.720 529 N CB -1.685 36.798 38.487 -0.008 0.000 0.930 529 N HN 0.191 nan 8.380 nan 0.000 0.543 530 V N 1.317 121.227 119.914 -0.006 0.000 2.521 530 V HA 0.100 4.220 4.120 -0.000 0.000 0.286 530 V C 1.873 177.944 176.094 -0.039 0.000 1.034 530 V CA 0.069 62.377 62.300 0.015 0.000 1.045 530 V CB 0.727 32.588 31.823 0.063 0.000 0.974 530 V HN 0.399 nan 8.190 nan 0.000 0.480 531 I N 1.694 122.256 120.570 -0.013 0.000 4.009 531 I HA 0.770 4.940 4.170 -0.000 0.000 0.331 531 I C 0.691 176.802 176.117 -0.011 0.000 1.462 531 I CA 0.256 61.519 61.300 -0.062 0.000 1.117 531 I CB 0.353 38.310 38.000 -0.072 0.000 1.091 531 I HN 0.728 nan 8.210 nan 0.000 0.410 532 G N 1.559 110.435 108.800 0.127 0.000 2.288 532 G HA2 0.150 4.110 3.960 -0.000 0.000 0.227 532 G HA3 0.150 4.110 3.960 -0.000 0.000 0.227 532 G C -1.720 173.308 174.900 0.213 0.000 1.339 532 G CA -0.239 45.000 45.100 0.232 0.000 1.057 532 G HN 0.468 nan 8.290 nan 0.000 0.470 533 Y N -2.521 117.774 120.300 -0.009 0.000 2.625 533 Y HA 0.868 5.418 4.550 0.000 0.000 0.338 533 Y C -0.645 175.214 175.900 -0.068 0.000 1.123 533 Y CA -1.794 56.223 58.100 -0.139 0.000 1.046 533 Y CB 1.930 40.123 38.460 -0.445 0.000 1.299 533 Y HN 0.790 nan 8.280 nan 0.000 0.464 534 M N 4.728 124.389 119.600 0.102 0.000 2.044 534 M HA 0.528 5.007 4.480 -0.000 0.000 0.333 534 M C -2.946 173.434 176.300 0.133 0.000 1.004 534 M CA -3.133 52.197 55.300 0.051 0.000 0.954 534 M CB 0.918 33.538 32.600 0.034 0.000 1.468 534 M HN 0.495 nan 8.290 nan 0.000 0.414 535 P HA 0.247 nan 4.420 nan 0.000 0.276 535 P C -1.099 176.248 177.300 0.078 0.000 1.264 535 P CA -0.107 63.084 63.100 0.152 0.000 0.769 535 P CB 0.120 31.919 31.700 0.165 0.000 0.840 536 I N 5.653 126.263 120.570 0.066 0.000 2.321 536 I HA 0.270 4.440 4.170 -0.000 0.000 0.291 536 I C -2.054 174.085 176.117 0.038 0.000 0.998 536 I CA -3.058 58.268 61.300 0.043 0.000 1.227 536 I CB 0.625 38.648 38.000 0.039 0.000 1.368 536 I HN 0.124 nan 8.210 nan 0.000 0.466 537 P HA 0.071 nan 4.420 nan 0.000 0.262 537 P C -0.497 176.816 177.300 0.022 0.000 1.182 537 P CA 0.079 63.194 63.100 0.025 0.000 0.761 537 P CB 0.528 32.238 31.700 0.017 0.000 0.795 538 V N 3.684 123.611 119.914 0.022 0.000 2.384 538 V HA 0.646 4.766 4.120 -0.000 0.000 0.287 538 V C 0.819 176.923 176.094 0.017 0.000 1.020 538 V CA -0.244 62.068 62.300 0.020 0.000 0.850 538 V CB 1.483 33.318 31.823 0.020 0.000 0.987 538 V HN 0.755 nan 8.190 nan 0.000 0.436 539 G N 2.533 111.342 108.800 0.015 0.000 2.597 539 G HA2 0.670 4.629 3.960 -0.000 0.000 0.317 539 G HA3 0.670 4.629 3.960 -0.000 0.000 0.317 539 G C -1.338 173.572 174.900 0.016 0.000 1.230 539 G CA -0.713 44.396 45.100 0.014 0.000 0.996 539 G HN 0.643 nan 8.290 nan 0.000 0.490 540 V N -0.361 119.563 119.914 0.017 0.000 2.588 540 V HA 0.778 4.898 4.120 -0.000 0.000 0.304 540 V C -0.392 175.715 176.094 0.022 0.000 1.042 540 V CA -0.506 61.807 62.300 0.021 0.000 0.877 540 V CB 1.400 33.237 31.823 0.023 0.000 0.996 540 V HN 1.300 nan 8.190 nan 0.000 0.425 541 A N 4.677 127.512 122.820 0.026 0.000 2.304 541 A HA 1.022 5.342 4.320 -0.000 0.000 0.314 541 A C 0.111 177.718 177.584 0.039 0.000 1.187 541 A CA 0.259 52.312 52.037 0.027 0.000 0.810 541 A CB 1.148 20.160 19.000 0.020 0.000 1.183 541 A HN 2.002 nan 8.150 nan 0.000 0.487 542 G N 1.824 110.646 108.800 0.037 0.000 2.315 542 G HA2 0.564 4.524 3.960 -0.000 0.000 0.294 542 G HA3 0.564 4.524 3.960 -0.000 0.000 0.294 542 G C -3.437 171.482 174.900 0.032 0.000 1.300 542 G CA -0.561 44.567 45.100 0.046 0.000 0.843 542 G HN 0.605 nan 8.290 nan 0.000 0.527 543 P HA 0.424 nan 4.420 nan 0.000 0.276 543 P C -0.678 176.657 177.300 0.059 0.000 1.230 543 P CA -0.356 62.768 63.100 0.039 0.000 0.776 543 P CB 1.702 33.408 31.700 0.010 0.000 0.888 544 L N 4.829 126.116 121.223 0.107 0.000 2.268 544 L HA 0.251 4.591 4.340 -0.000 0.000 0.289 544 L C -0.563 176.402 176.870 0.158 0.000 1.064 544 L CA -0.417 54.502 54.840 0.131 0.000 0.824 544 L CB -0.274 41.881 42.059 0.160 0.000 1.202 544 L HN 0.357 nan 8.230 nan 0.000 0.433 545 C N 6.365 125.722 119.300 0.094 0.000 2.383 545 C HA 0.495 4.955 4.460 -0.000 0.000 0.350 545 C C 0.018 175.073 174.990 0.109 0.000 1.173 545 C CA -0.603 58.458 59.018 0.072 0.000 1.645 545 C CB -1.109 26.652 27.740 0.035 0.000 2.221 545 C HN 0.689 nan 8.230 nan 0.000 0.528 546 L N 4.495 125.824 121.223 0.177 0.000 2.404 546 L HA 0.453 4.793 4.340 -0.000 0.000 0.272 546 L C -0.304 176.685 176.870 0.199 0.000 0.980 546 L CA 0.532 55.494 54.840 0.203 0.000 0.836 546 L CB 0.832 43.057 42.059 0.275 0.000 1.238 546 L HN 0.675 nan 8.230 nan 0.000 0.408 547 D N 4.308 124.778 120.400 0.116 0.000 2.699 547 D HA -0.227 4.413 4.640 -0.000 0.000 0.239 547 D C 0.179 176.517 176.300 0.063 0.000 1.136 547 D CA 1.254 55.308 54.000 0.090 0.000 0.668 547 D CB -0.468 40.397 40.800 0.109 0.000 1.060 547 D HN 0.975 nan 8.370 nan 0.000 0.429 548 E N -2.191 118.031 120.200 0.037 0.000 2.971 548 E HA -0.280 4.070 4.350 -0.000 0.000 0.278 548 E C 0.175 176.755 176.600 -0.035 0.000 1.009 548 E CA 1.236 57.639 56.400 0.005 0.000 0.862 548 E CB -0.610 29.093 29.700 0.006 0.000 1.436 548 E HN 0.543 nan 8.360 nan 0.000 0.434 549 K N 0.026 120.390 120.400 -0.060 0.000 2.378 549 K HA 0.560 4.880 4.320 -0.000 0.000 0.244 549 K C -0.494 175.934 176.600 -0.287 0.000 1.039 549 K CA -0.810 55.342 56.287 -0.225 0.000 0.863 549 K CB 1.640 33.917 32.500 -0.370 0.000 1.326 549 K HN -0.047 nan 8.250 nan 0.000 0.460 550 E N 1.041 120.958 120.200 -0.473 0.000 2.256 550 E HA 0.361 4.711 4.350 -0.000 0.000 0.268 550 E C -1.405 174.883 176.600 -0.519 0.000 0.877 550 E CA -0.523 55.677 56.400 -0.333 0.000 0.757 550 E CB 1.582 31.184 29.700 -0.163 0.000 1.183 550 E HN 0.258 nan 8.360 nan 0.000 0.418 551 F N 1.283 121.235 119.950 0.002 0.000 2.520 551 F HA 0.260 4.786 4.527 -0.000 0.000 0.322 551 F C 0.301 176.102 175.800 0.002 0.000 1.103 551 F CA -1.018 56.983 58.000 0.002 0.000 0.926 551 F CB 1.811 40.813 39.000 0.003 0.000 1.154 551 F HN 0.104 nan 8.300 nan 0.000 0.453 552 Q N 3.245 123.154 119.800 0.182 0.000 2.398 552 Q HA 0.349 4.689 4.340 -0.000 0.000 0.251 552 Q C -0.787 175.277 176.000 0.106 0.000 0.999 552 Q CA -0.481 55.387 55.803 0.108 0.000 0.874 552 Q CB 1.958 30.733 28.738 0.063 0.000 1.215 552 Q HN 0.389 nan 8.270 nan 0.000 0.470 553 V N 5.953 125.917 119.914 0.084 0.000 2.385 553 V HA 0.252 4.372 4.120 -0.000 0.000 0.269 553 V C -1.931 174.184 176.094 0.035 0.000 1.043 553 V CA -1.568 60.764 62.300 0.054 0.000 0.906 553 V CB 0.945 32.788 31.823 0.035 0.000 0.995 553 V HN 0.531 nan 8.190 nan 0.000 0.467 554 P HA 0.394 nan 4.420 nan 0.000 0.280 554 P C -0.891 176.422 177.300 0.021 0.000 1.244 554 P CA -0.376 62.739 63.100 0.025 0.000 0.784 554 P CB 0.921 32.635 31.700 0.024 0.000 0.913 555 M N 2.165 121.775 119.600 0.018 0.000 2.122 555 M HA 0.424 4.904 4.480 -0.000 0.000 0.269 555 M C -0.547 175.761 176.300 0.014 0.000 0.954 555 M CA -0.608 54.700 55.300 0.013 0.000 0.998 555 M CB 2.320 34.920 32.600 0.001 0.000 1.755 555 M HN 0.275 nan 8.290 nan 0.000 0.459 556 A N 2.499 125.331 122.820 0.020 0.000 2.310 556 A HA 0.737 5.057 4.320 -0.000 0.000 0.300 556 A C -0.094 177.500 177.584 0.015 0.000 1.269 556 A CA -0.096 51.954 52.037 0.022 0.000 0.909 556 A CB 0.494 19.512 19.000 0.031 0.000 1.144 556 A HN 0.731 nan 8.150 nan 0.000 0.540 557 T N 0.286 114.846 114.554 0.011 0.000 2.840 557 T HA 0.518 4.868 4.350 -0.000 0.000 0.317 557 T C 0.442 175.146 174.700 0.007 0.000 1.401 557 T CA 0.332 62.435 62.100 0.005 0.000 1.028 557 T CB 1.327 70.192 68.868 -0.005 0.000 1.317 557 T HN 0.972 nan 8.240 nan 0.000 0.495 558 T N -0.563 113.993 114.554 0.004 0.000 3.132 558 T HA 0.372 4.722 4.350 -0.000 0.000 0.274 558 T C 0.264 174.965 174.700 0.002 0.000 1.011 558 T CA -0.321 61.782 62.100 0.004 0.000 0.899 558 T CB -0.033 68.837 68.868 0.003 0.000 1.089 558 T HN 0.588 nan 8.240 nan 0.000 0.543 559 E N 1.513 121.714 120.200 0.002 0.000 2.130 559 E HA 0.506 4.856 4.350 -0.000 0.000 0.284 559 E C 0.586 177.190 176.600 0.007 0.000 1.018 559 E CA -0.745 55.657 56.400 0.004 0.000 0.817 559 E CB 0.430 30.133 29.700 0.005 0.000 1.078 559 E HN 0.454 nan 8.360 nan 0.000 0.396 560 G N 2.718 111.522 108.800 0.007 0.000 2.432 560 G HA2 0.084 4.044 3.960 -0.000 0.000 0.239 560 G HA3 0.084 4.044 3.960 -0.000 0.000 0.239 560 G C 0.510 175.418 174.900 0.013 0.000 1.291 560 G CA -0.006 45.099 45.100 0.008 0.000 0.863 560 G HN 0.951 nan 8.290 nan 0.000 0.560 561 C N 0.907 120.215 119.300 0.014 0.000 5.189 561 C HA -0.186 4.274 4.460 -0.000 0.000 0.253 561 C C 2.296 177.303 174.990 0.028 0.000 1.601 561 C CA 0.573 59.602 59.018 0.019 0.000 1.533 561 C CB -2.073 25.678 27.740 0.020 0.000 2.164 561 C HN 0.841 nan 8.230 nan 0.000 0.604 562 L N 1.374 122.612 121.223 0.024 0.000 2.027 562 L HA -0.000 4.340 4.340 -0.000 0.000 0.206 562 L C 2.258 179.135 176.870 0.012 0.000 1.074 562 L CA 2.569 57.423 54.840 0.023 0.000 0.745 562 L CB -0.588 41.471 42.059 -0.001 0.000 0.898 562 L HN 0.314 nan 8.230 nan 0.000 0.433 563 V N 0.144 120.062 119.914 0.007 0.000 2.358 563 V HA -0.230 3.890 4.120 -0.000 0.000 0.246 563 V C 2.799 178.902 176.094 0.014 0.000 1.047 563 V CA 1.541 63.845 62.300 0.007 0.000 1.035 563 V CB -1.340 30.488 31.823 0.007 0.000 0.658 563 V HN 0.591 nan 8.190 nan 0.000 0.452 564 A N -0.775 122.055 122.820 0.017 0.000 1.930 564 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 564 A C 2.546 180.145 177.584 0.024 0.000 1.175 564 A CA 2.150 54.197 52.037 0.018 0.000 0.627 564 A CB -0.643 18.366 19.000 0.016 0.000 0.815 564 A HN 0.478 nan 8.150 nan 0.000 0.443 565 S N -0.988 114.732 115.700 0.033 0.000 2.371 565 S HA -0.115 4.355 4.470 -0.000 0.000 0.224 565 S C 2.037 176.667 174.600 0.050 0.000 1.029 565 S CA 2.010 60.237 58.200 0.046 0.000 0.978 565 S CB -0.555 62.689 63.200 0.072 0.000 0.833 565 S HN 0.592 nan 8.310 nan 0.000 0.466 566 T N 1.891 116.470 114.554 0.043 0.000 2.833 566 T HA -0.069 4.281 4.350 -0.000 0.000 0.269 566 T C 1.695 176.411 174.700 0.026 0.000 1.054 566 T CA 1.543 63.661 62.100 0.030 0.000 1.135 566 T CB -0.618 68.250 68.868 0.000 0.000 0.869 566 T HN 0.537 nan 8.240 nan 0.000 0.466 567 N N 0.903 119.617 118.700 0.024 0.000 2.244 567 N HA -0.046 4.694 4.740 -0.000 0.000 0.183 567 N C 1.914 177.437 175.510 0.023 0.000 1.016 567 N CA 0.882 53.945 53.050 0.023 0.000 0.866 567 N CB -0.088 38.411 38.487 0.020 0.000 0.980 567 N HN 0.275 nan 8.380 nan 0.000 0.430 568 R N -0.636 119.878 120.500 0.023 0.000 2.092 568 R HA -0.007 4.333 4.340 -0.000 0.000 0.231 568 R C 2.065 178.378 176.300 0.022 0.000 1.119 568 R CA 1.404 57.517 56.100 0.021 0.000 0.970 568 R CB -0.573 29.739 30.300 0.020 0.000 0.864 568 R HN 0.318 nan 8.270 nan 0.000 0.440 569 G N 0.021 108.837 108.800 0.027 0.000 2.422 569 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.218 569 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.218 569 G C 1.491 176.405 174.900 0.023 0.000 1.146 569 G CA 0.887 46.002 45.100 0.026 0.000 0.769 569 G HN 0.404 nan 8.290 nan 0.000 0.547 570 C N -0.130 119.186 119.300 0.026 0.000 2.429 570 C HA 0.062 4.522 4.460 -0.000 0.000 0.277 570 C C 2.838 177.843 174.990 0.025 0.000 1.262 570 C CA 0.913 59.948 59.018 0.029 0.000 1.733 570 C CB -0.600 27.161 27.740 0.034 0.000 2.010 570 C HN 0.475 nan 8.230 nan 0.000 0.483 571 R N 1.803 122.316 120.500 0.021 0.000 2.096 571 R HA -0.040 4.300 4.340 -0.000 0.000 0.235 571 R C 2.089 178.398 176.300 0.015 0.000 1.127 571 R CA 2.048 58.158 56.100 0.017 0.000 0.968 571 R CB -0.791 29.517 30.300 0.015 0.000 0.861 571 R HN 0.452 nan 8.270 nan 0.000 0.440 572 A N 0.224 123.053 122.820 0.015 0.000 1.898 572 A HA -0.071 4.249 4.320 -0.000 0.000 0.216 572 A C 2.291 179.883 177.584 0.013 0.000 1.181 572 A CA 1.571 53.615 52.037 0.012 0.000 0.620 572 A CB -0.536 18.470 19.000 0.010 0.000 0.819 572 A HN 0.356 nan 8.150 nan 0.000 0.442 573 I N -0.327 120.252 120.570 0.014 0.000 2.315 573 I HA -0.175 3.995 4.170 -0.000 0.000 0.248 573 I C 2.607 178.736 176.117 0.019 0.000 1.117 573 I CA 1.101 62.410 61.300 0.015 0.000 1.404 573 I CB -0.410 37.601 38.000 0.018 0.000 1.071 573 I HN 0.395 nan 8.210 nan 0.000 0.419 574 G N 0.647 109.459 108.800 0.020 0.000 2.421 574 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.217 574 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.217 574 G C 1.624 176.532 174.900 0.014 0.000 1.143 574 G CA 0.242 45.352 45.100 0.018 0.000 0.784 574 G HN 0.282 nan 8.290 nan 0.000 0.541 575 L N 0.638 121.869 121.223 0.013 0.000 2.492 575 L HA 0.187 4.527 4.340 -0.000 0.000 0.223 575 L C 2.345 179.223 176.870 0.014 0.000 1.132 575 L CA 0.451 55.298 54.840 0.012 0.000 0.850 575 L CB 0.209 42.275 42.059 0.011 0.000 0.966 575 L HN 0.282 nan 8.230 nan 0.000 0.454 576 G N -1.374 107.436 108.800 0.016 0.000 3.609 576 G HA2 0.382 4.342 3.960 -0.000 0.000 0.280 576 G HA3 0.382 4.342 3.960 -0.000 0.000 0.280 576 G C 1.137 176.051 174.900 0.023 0.000 1.155 576 G CA 0.406 45.518 45.100 0.020 0.000 0.876 576 G HN 0.374 nan 8.290 nan 0.000 0.535 577 G N -1.176 107.636 108.800 0.020 0.000 2.217 577 G HA2 0.261 4.221 3.960 -0.000 0.000 0.246 577 G HA3 0.261 4.221 3.960 -0.000 0.000 0.246 577 G C 0.957 175.871 174.900 0.024 0.000 0.990 577 G CA 0.607 45.720 45.100 0.021 0.000 0.627 577 G HN 2.238 nan 8.290 nan 0.000 0.522 578 G N -1.087 107.728 108.800 0.026 0.000 2.619 578 G HA2 0.512 4.472 3.960 -0.000 0.000 0.686 578 G HA3 0.512 4.472 3.960 -0.000 0.000 0.686 578 G C 0.007 174.927 174.900 0.034 0.000 1.256 578 G CA 0.797 45.915 45.100 0.031 0.000 0.826 578 G HN 2.170 nan 8.290 nan 0.000 0.619 579 A N -0.033 122.810 122.820 0.039 0.000 2.269 579 A HA 0.955 5.274 4.320 -0.000 0.000 0.319 579 A C 0.509 178.120 177.584 0.045 0.000 1.110 579 A CA 0.458 52.515 52.037 0.033 0.000 0.847 579 A CB 1.401 20.416 19.000 0.025 0.000 1.161 579 A HN 1.924 nan 8.150 nan 0.000 0.497 580 S N 0.010 115.733 115.700 0.040 0.000 2.538 580 S HA 0.709 5.179 4.470 -0.000 0.000 0.288 580 S C -0.414 174.206 174.600 0.033 0.000 1.108 580 S CA -0.384 57.842 58.200 0.044 0.000 0.971 580 S CB 1.631 64.859 63.200 0.048 0.000 1.041 580 S HN 1.268 nan 8.310 nan 0.000 0.483 581 S N 2.639 118.358 115.700 0.031 0.000 2.599 581 S HA 0.841 5.311 4.470 -0.000 0.000 0.287 581 S C -1.340 173.269 174.600 0.015 0.000 1.105 581 S CA -1.097 57.113 58.200 0.017 0.000 0.899 581 S CB 1.565 64.768 63.200 0.005 0.000 1.100 581 S HN 0.504 nan 8.310 nan 0.000 0.482 582 R N 0.900 121.404 120.500 0.006 0.000 2.564 582 R HA 0.460 4.800 4.340 -0.000 0.000 0.284 582 R C -1.577 174.719 176.300 -0.007 0.000 1.031 582 R CA -0.662 55.439 56.100 0.002 0.000 0.904 582 R CB 1.831 32.133 30.300 0.004 0.000 1.199 582 R HN 0.632 nan 8.270 nan 0.000 0.443 583 V N 5.395 125.303 119.914 -0.009 0.000 2.455 583 V HA 0.144 4.264 4.120 -0.000 0.000 0.273 583 V C 1.634 177.717 176.094 -0.018 0.000 1.045 583 V CA 0.042 62.332 62.300 -0.015 0.000 0.976 583 V CB 0.854 32.668 31.823 -0.015 0.000 0.993 583 V HN 0.629 nan 8.190 nan 0.000 0.475 584 L N 3.990 125.197 121.223 -0.027 0.000 2.298 584 L HA 0.507 4.847 4.340 -0.000 0.000 0.209 584 L C 0.925 177.773 176.870 -0.036 0.000 1.084 584 L CA 0.822 55.641 54.840 -0.034 0.000 0.816 584 L CB -0.041 41.989 42.059 -0.048 0.000 0.967 584 L HN 0.738 nan 8.230 nan 0.000 0.460 585 A N -0.846 121.953 122.820 -0.035 0.000 2.610 585 A HA 0.633 4.953 4.320 -0.000 0.000 0.291 585 A C -1.949 175.621 177.584 -0.022 0.000 1.086 585 A CA -0.387 51.631 52.037 -0.032 0.000 0.677 585 A CB 1.924 20.896 19.000 -0.046 0.000 1.278 585 A HN -0.036 nan 8.150 nan 0.000 0.414 586 D N -0.670 119.722 120.400 -0.014 0.000 2.891 586 D HA 0.578 5.218 4.640 -0.000 0.000 0.224 586 D C -0.579 175.725 176.300 0.007 0.000 1.321 586 D CA 0.929 54.925 54.000 -0.006 0.000 0.929 586 D CB 1.737 42.531 40.800 -0.009 0.000 1.551 586 D HN 1.553 nan 8.370 nan 0.000 0.574 587 G N 2.461 111.271 108.800 0.015 0.000 1.843 587 G HA2 0.357 4.317 3.960 -0.000 0.000 0.278 587 G HA3 0.357 4.317 3.960 -0.000 0.000 0.278 587 G C -0.856 174.074 174.900 0.049 0.000 1.708 587 G CA -0.922 44.201 45.100 0.038 0.000 0.918 587 G HN 0.386 nan 8.290 nan 0.000 0.661 588 M N 2.529 122.171 119.600 0.069 0.000 2.240 588 M HA 0.697 5.177 4.480 -0.000 0.000 0.333 588 M C 0.819 177.190 176.300 0.118 0.000 1.110 588 M CA -0.053 55.296 55.300 0.083 0.000 1.173 588 M CB 0.751 33.401 32.600 0.083 0.000 1.458 588 M HN 0.882 nan 8.290 nan 0.000 0.458 589 T N 2.101 116.726 114.554 0.118 0.000 2.916 589 T HA 0.842 5.192 4.350 -0.000 0.000 0.292 589 T C -0.926 173.883 174.700 0.181 0.000 1.055 589 T CA -1.059 61.134 62.100 0.155 0.000 1.009 589 T CB 1.654 70.586 68.868 0.107 0.000 1.118 589 T HN 0.812 nan 8.240 nan 0.000 0.497 590 R N -0.065 120.587 120.500 0.255 0.000 2.621 590 R HA 0.665 5.005 4.340 -0.000 0.000 0.284 590 R C -0.334 176.177 176.300 0.351 0.000 0.998 590 R CA -0.393 55.861 56.100 0.257 0.000 0.895 590 R CB 1.775 32.211 30.300 0.226 0.000 1.195 590 R HN 1.078 nan 8.270 nan 0.000 0.450 591 G N 5.109 114.099 108.800 0.317 0.000 4.782 591 G HA2 0.307 4.266 3.960 -0.000 0.000 0.327 591 G HA3 0.307 4.266 3.960 -0.000 0.000 0.327 591 G C -2.533 172.594 174.900 0.379 0.000 1.466 591 G CA -1.208 44.138 45.100 0.409 0.000 1.017 591 G HN 0.462 nan 8.290 nan 0.000 0.543 592 P HA 0.151 nan 4.420 nan 0.000 0.270 592 P C -0.162 177.212 177.300 0.124 0.000 1.223 592 P CA -0.137 63.091 63.100 0.214 0.000 0.785 592 P CB 2.208 34.031 31.700 0.205 0.000 0.923 593 V N 2.944 122.851 119.914 -0.013 0.000 2.448 593 V HA 0.438 4.558 4.120 -0.000 0.000 0.295 593 V C -0.077 175.890 176.094 -0.212 0.000 1.025 593 V CA -0.686 61.427 62.300 -0.312 0.000 0.859 593 V CB 1.409 32.978 31.823 -0.424 0.000 0.988 593 V HN 0.456 nan 8.190 nan 0.000 0.431 594 V N 4.966 124.732 119.914 -0.248 0.000 3.103 594 V HA 0.802 4.922 4.120 -0.000 0.000 0.318 594 V C -0.535 175.452 176.094 -0.179 0.000 1.114 594 V CA -1.024 61.189 62.300 -0.146 0.000 1.020 594 V CB 2.205 33.984 31.823 -0.072 0.000 1.085 594 V HN 0.903 nan 8.190 nan 0.000 0.446 595 R N 1.275 121.710 120.500 -0.107 0.000 2.533 595 R HA 0.697 5.037 4.340 -0.000 0.000 0.288 595 R C -1.835 174.432 176.300 -0.054 0.000 1.039 595 R CA -0.582 55.464 56.100 -0.091 0.000 0.909 595 R CB 2.038 32.297 30.300 -0.069 0.000 1.195 595 R HN 0.672 nan 8.270 nan 0.000 0.438 596 L N 3.034 124.222 121.223 -0.058 0.000 2.313 596 L HA 0.498 4.838 4.340 -0.000 0.000 0.268 596 L C -1.557 175.301 176.870 -0.020 0.000 1.010 596 L CA -1.973 52.846 54.840 -0.035 0.000 0.814 596 L CB 1.381 43.402 42.059 -0.063 0.000 1.304 596 L HN 0.353 nan 8.230 nan 0.000 0.441 597 P HA -0.091 nan 4.420 nan 0.000 0.216 597 P C -0.502 176.796 177.300 -0.004 0.000 1.150 597 P CA 1.447 64.547 63.100 0.001 0.000 0.843 597 P CB 0.263 31.969 31.700 0.010 0.000 0.787 598 R N -2.944 117.552 120.500 -0.007 0.000 2.836 598 R HA 0.635 4.974 4.340 -0.000 0.000 0.269 598 R C 0.831 177.122 176.300 -0.016 0.000 1.010 598 R CA -0.495 55.600 56.100 -0.007 0.000 0.930 598 R CB 0.745 31.044 30.300 -0.000 0.000 1.218 598 R HN -0.247 nan 8.270 nan 0.000 0.473 599 A N 0.479 123.291 122.820 -0.013 0.000 2.019 599 A HA -0.153 4.167 4.320 -0.000 0.000 0.219 599 A C 2.065 179.639 177.584 -0.016 0.000 1.164 599 A CA 1.758 53.785 52.037 -0.017 0.000 0.644 599 A CB -0.879 18.116 19.000 -0.009 0.000 0.805 599 A HN 0.904 nan 8.150 nan 0.000 0.449 600 C N -0.667 118.629 119.300 -0.006 0.000 2.435 600 C HA -0.067 4.393 4.460 -0.000 0.000 0.279 600 C C 1.877 176.866 174.990 -0.001 0.000 1.321 600 C CA 1.170 60.189 59.018 0.001 0.000 1.752 600 C CB -0.949 26.797 27.740 0.010 0.000 1.959 600 C HN 0.572 nan 8.230 nan 0.000 0.500 601 D N 1.695 122.089 120.400 -0.011 0.000 2.137 601 D HA -0.063 4.577 4.640 -0.000 0.000 0.202 601 D C 2.604 178.848 176.300 -0.093 0.000 0.970 601 D CA 1.983 55.969 54.000 -0.023 0.000 0.837 601 D CB -0.383 40.410 40.800 -0.011 0.000 0.981 601 D HN 0.766 nan 8.370 nan 0.000 0.475 602 S N 0.980 116.626 115.700 -0.091 0.000 2.402 602 S HA -0.030 4.440 4.470 -0.000 0.000 0.229 602 S C 2.165 176.700 174.600 -0.109 0.000 1.021 602 S CA 1.019 59.143 58.200 -0.126 0.000 0.974 602 S CB -0.204 62.939 63.200 -0.095 0.000 0.800 602 S HN 0.208 nan 8.310 nan 0.000 0.484 603 A N 1.578 124.362 122.820 -0.061 0.000 1.969 603 A HA -0.020 4.300 4.320 -0.000 0.000 0.218 603 A C 2.177 179.750 177.584 -0.017 0.000 1.169 603 A CA 1.349 53.367 52.037 -0.033 0.000 0.635 603 A CB -0.700 18.293 19.000 -0.012 0.000 0.810 603 A HN 0.655 nan 8.150 nan 0.000 0.445 604 E N -0.099 120.089 120.200 -0.020 0.000 2.106 604 E HA -0.120 4.230 4.350 -0.000 0.000 0.192 604 E C 1.785 178.382 176.600 -0.006 0.000 0.984 604 E CA 1.385 57.808 56.400 0.039 0.000 0.806 604 E CB -0.032 29.722 29.700 0.090 0.000 0.750 604 E HN 0.378 nan 8.360 nan 0.000 0.458 605 V N 1.366 121.113 119.914 -0.279 0.000 2.548 605 V HA -0.180 3.940 4.120 -0.000 0.000 0.249 605 V C 2.447 178.507 176.094 -0.057 0.000 1.055 605 V CA 1.487 63.506 62.300 -0.468 0.000 1.065 605 V CB -0.402 30.989 31.823 -0.720 0.000 0.681 605 V HN 0.199 nan 8.190 nan 0.000 0.462 606 K N 0.540 120.912 120.400 -0.047 0.000 2.025 606 K HA -0.137 4.183 4.320 -0.000 0.000 0.207 606 K C 2.208 178.836 176.600 0.048 0.000 1.049 606 K CA 1.552 57.836 56.287 -0.006 0.000 0.933 606 K CB -0.252 32.226 32.500 -0.035 0.000 0.714 606 K HN 0.422 nan 8.250 nan 0.000 0.438 607 A N 0.187 123.051 122.820 0.073 0.000 1.969 607 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 607 A C 1.872 179.545 177.584 0.149 0.000 1.169 607 A CA 1.201 53.291 52.037 0.089 0.000 0.635 607 A CB -0.882 18.174 19.000 0.093 0.000 0.810 607 A HN 0.677 nan 8.150 nan 0.000 0.445 608 W N 0.497 121.829 121.300 0.054 0.000 2.381 608 W HA -0.083 4.577 4.660 -0.000 0.000 0.301 608 W C 1.594 178.159 176.519 0.076 0.000 1.205 608 W CA 1.692 59.104 57.345 0.111 0.000 1.285 608 W CB -0.175 29.446 29.460 0.268 0.000 1.133 608 W HN 0.238 nan 8.180 nan 0.000 0.521 609 L N 0.308 121.676 121.223 0.241 0.000 2.275 609 L HA -0.120 4.220 4.340 -0.000 0.000 0.215 609 L C 2.080 178.924 176.870 -0.043 0.000 1.119 609 L CA 1.287 56.178 54.840 0.084 0.000 0.790 609 L CB -0.621 41.532 42.059 0.157 0.000 0.919 609 L HN 0.004 nan 8.230 nan 0.000 0.443 610 E N -0.560 119.609 120.200 -0.052 0.000 2.299 610 E HA -0.051 4.298 4.350 -0.000 0.000 0.193 610 E C 0.886 177.415 176.600 -0.119 0.000 0.998 610 E CA 0.549 56.892 56.400 -0.095 0.000 0.851 610 E CB 0.143 29.808 29.700 -0.060 0.000 0.795 610 E HN 0.494 nan 8.360 nan 0.000 0.492 611 T N -1.085 113.386 114.554 -0.138 0.000 2.860 611 T HA 0.034 4.384 4.350 -0.000 0.000 0.299 611 T C 1.466 176.084 174.700 -0.137 0.000 1.045 611 T CA -0.035 61.978 62.100 -0.145 0.000 1.071 611 T CB 1.589 70.348 68.868 -0.181 0.000 0.985 611 T HN 0.017 nan 8.240 nan 0.000 0.537 612 S N 0.534 116.180 115.700 -0.090 0.000 2.402 612 S HA -0.122 4.348 4.470 -0.000 0.000 0.229 612 S C 1.570 176.137 174.600 -0.054 0.000 1.021 612 S CA 0.820 59.003 58.200 -0.029 0.000 0.974 612 S CB -0.558 62.631 63.200 -0.018 0.000 0.800 612 S HN 0.797 nan 8.310 nan 0.000 0.484 613 E N 1.797 121.913 120.200 -0.142 0.000 2.051 613 E HA 0.160 4.510 4.350 -0.000 0.000 0.189 613 E C 2.336 178.718 176.600 -0.363 0.000 0.979 613 E CA 0.986 57.281 56.400 -0.176 0.000 0.803 613 E CB -0.961 28.661 29.700 -0.131 0.000 0.761 613 E HN 0.605 nan 8.360 nan 0.000 0.451 614 G N 0.204 108.568 108.800 -0.727 0.000 2.408 614 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.217 614 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.217 614 G C 1.387 175.808 174.900 -0.798 0.000 1.150 614 G CA 0.448 44.615 45.100 -1.555 0.000 0.776 614 G HN 0.253 nan 8.290 nan 0.000 0.542 615 F N 2.454 122.103 119.950 -0.502 0.000 2.234 615 F HA 0.178 4.704 4.527 -0.000 0.000 0.299 615 F C 2.619 178.331 175.800 -0.147 0.000 1.087 615 F CA 0.908 58.761 58.000 -0.246 0.000 1.340 615 F CB -0.149 38.742 39.000 -0.182 0.000 1.031 615 F HN 0.209 nan 8.300 nan 0.000 0.500 616 A N -0.373 122.298 122.820 -0.249 0.000 1.930 616 A HA -0.061 4.259 4.320 -0.000 0.000 0.217 616 A C 2.284 179.752 177.584 -0.193 0.000 1.175 616 A CA 1.701 53.592 52.037 -0.243 0.000 0.627 616 A CB -1.234 17.706 19.000 -0.100 0.000 0.815 616 A HN 0.246 nan 8.150 nan 0.000 0.443 617 V N 0.450 120.274 119.914 -0.150 0.000 2.379 617 V HA -0.186 3.934 4.120 -0.000 0.000 0.245 617 V C 2.349 178.450 176.094 0.011 0.000 1.044 617 V CA 1.523 63.807 62.300 -0.026 0.000 1.036 617 V CB -0.539 31.293 31.823 0.015 0.000 0.664 617 V HN 0.501 nan 8.190 nan 0.000 0.453 618 I N 0.259 120.824 120.570 -0.010 0.000 2.439 618 I HA -0.165 4.005 4.170 -0.000 0.000 0.251 618 I C 2.366 178.501 176.117 0.030 0.000 1.139 618 I CA 1.519 62.880 61.300 0.100 0.000 1.438 618 I CB -1.043 37.081 38.000 0.207 0.000 1.085 618 I HN 0.378 nan 8.210 nan 0.000 0.427 619 K N 1.197 121.456 120.400 -0.236 0.000 2.155 619 K HA -0.190 4.130 4.320 -0.000 0.000 0.203 619 K C 2.053 178.628 176.600 -0.041 0.000 1.052 619 K CA 1.173 57.301 56.287 -0.266 0.000 0.948 619 K CB 0.077 32.188 32.500 -0.649 0.000 0.728 619 K HN 0.238 nan 8.250 nan 0.000 0.448 620 E N -0.257 119.923 120.200 -0.034 0.000 2.072 620 E HA -0.149 4.201 4.350 -0.000 0.000 0.190 620 E C 1.733 178.372 176.600 0.065 0.000 0.982 620 E CA 0.912 57.323 56.400 0.019 0.000 0.803 620 E CB -0.052 29.657 29.700 0.016 0.000 0.755 620 E HN 0.436 nan 8.360 nan 0.000 0.453 621 A N 0.479 123.354 122.820 0.092 0.000 1.898 621 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 621 A C 1.960 179.603 177.584 0.098 0.000 1.181 621 A CA 0.968 53.062 52.037 0.095 0.000 0.620 621 A CB -0.810 18.260 19.000 0.118 0.000 0.819 621 A HN 0.465 nan 8.150 nan 0.000 0.442 622 F N 1.112 121.066 119.950 0.005 0.000 2.102 622 F HA -0.193 4.334 4.527 -0.000 0.000 0.298 622 F C 1.489 177.291 175.800 0.004 0.000 1.105 622 F CA 2.132 60.132 58.000 0.000 0.000 1.239 622 F CB -0.020 39.007 39.000 0.045 0.000 0.991 622 F HN 0.236 nan 8.300 nan 0.000 0.474 623 D N -0.705 119.852 120.400 0.262 0.000 2.317 623 D HA -0.089 4.551 4.640 -0.000 0.000 0.211 623 D C 2.383 178.710 176.300 0.045 0.000 0.966 623 D CA 1.167 55.270 54.000 0.171 0.000 0.876 623 D CB -0.351 40.532 40.800 0.139 0.000 0.927 623 D HN 0.352 nan 8.370 nan 0.000 0.519 624 S N -0.527 115.183 115.700 0.017 0.000 2.489 624 S HA -0.118 4.352 4.470 -0.000 0.000 0.228 624 S C 1.953 176.525 174.600 -0.046 0.000 0.995 624 S CA 1.266 59.459 58.200 -0.011 0.000 0.934 624 S CB -0.617 62.583 63.200 -0.001 0.000 0.771 624 S HN 0.320 nan 8.310 nan 0.000 0.522 625 T N -1.453 113.048 114.554 -0.088 0.000 2.942 625 T HA 0.189 4.539 4.350 -0.000 0.000 0.265 625 T C 0.851 175.495 174.700 -0.094 0.000 1.062 625 T CA 0.745 62.775 62.100 -0.116 0.000 1.139 625 T CB -0.279 68.465 68.868 -0.208 0.000 0.883 625 T HN 0.397 nan 8.240 nan 0.000 0.468 626 S N -0.307 115.343 115.700 -0.082 0.000 2.579 626 S HA 0.466 4.936 4.470 -0.000 0.000 0.272 626 S C 0.734 175.289 174.600 -0.076 0.000 1.141 626 S CA -0.763 57.400 58.200 -0.062 0.000 0.843 626 S CB 1.920 65.106 63.200 -0.024 0.000 1.122 626 S HN 0.437 nan 8.310 nan 0.000 0.468 627 R N 1.219 121.617 120.500 -0.171 0.000 2.096 627 R HA 0.014 4.354 4.340 -0.000 0.000 0.235 627 R C 0.814 176.932 176.300 -0.303 0.000 1.127 627 R CA 1.999 57.908 56.100 -0.318 0.000 0.968 627 R CB -0.524 29.442 30.300 -0.557 0.000 0.861 627 R HN 0.661 nan 8.270 nan 0.000 0.440 628 F N 1.125 121.094 119.950 0.032 0.000 2.765 628 F HA 0.350 4.877 4.527 -0.000 0.000 0.302 628 F C 0.943 176.797 175.800 0.090 0.000 1.111 628 F CA -0.307 57.723 58.000 0.051 0.000 1.359 628 F CB 0.393 39.418 39.000 0.042 0.000 1.097 628 F HN 0.071 nan 8.300 nan 0.000 0.577 629 A N 1.808 124.762 122.820 0.222 0.000 2.489 629 A HA 0.292 4.612 4.320 -0.000 0.000 0.289 629 A C 0.315 178.082 177.584 0.306 0.000 1.216 629 A CA 0.006 52.214 52.037 0.285 0.000 0.883 629 A CB -0.193 18.884 19.000 0.127 0.000 1.110 629 A HN 0.153 nan 8.150 nan 0.000 0.523 630 R N 2.947 123.628 120.500 0.302 0.000 2.467 630 R HA 0.223 4.563 4.340 -0.000 0.000 0.299 630 R C -1.402 174.970 176.300 0.120 0.000 1.120 630 R CA -0.771 55.443 56.100 0.191 0.000 0.940 630 R CB 1.188 31.576 30.300 0.147 0.000 1.161 630 R HN 0.677 nan 8.270 nan 0.000 0.506 631 L N 3.727 124.962 121.223 0.019 0.000 2.418 631 L HA 0.144 4.484 4.340 -0.000 0.000 0.274 631 L C 0.325 177.226 176.870 0.052 0.000 1.135 631 L CA 0.553 55.282 54.840 -0.185 0.000 0.870 631 L CB 0.683 42.492 42.059 -0.418 0.000 1.154 631 L HN 0.470 nan 8.230 nan 0.000 0.462 632 Q N 3.126 122.959 119.800 0.054 0.000 2.308 632 Q HA 0.226 4.566 4.340 -0.000 0.000 0.207 632 Q C -0.302 175.774 176.000 0.126 0.000 1.035 632 Q CA -0.626 55.236 55.803 0.099 0.000 1.008 632 Q CB 0.483 29.238 28.738 0.027 0.000 1.168 632 Q HN 0.477 nan 8.270 nan 0.000 0.565 633 K N 0.875 121.243 120.400 -0.054 0.000 2.484 633 K HA 0.014 4.334 4.320 -0.000 0.000 0.280 633 K C -0.759 175.744 176.600 -0.161 0.000 1.013 633 K CA -0.029 56.080 56.287 -0.297 0.000 1.029 633 K CB 0.153 32.480 32.500 -0.288 0.000 0.902 633 K HN 0.353 nan 8.250 nan 0.000 0.481 634 L N 3.192 124.296 121.223 -0.199 0.000 2.452 634 L HA 0.123 4.462 4.340 -0.000 0.000 0.267 634 L C 0.049 176.900 176.870 -0.030 0.000 1.188 634 L CA -0.225 54.544 54.840 -0.118 0.000 0.821 634 L CB 0.424 42.393 42.059 -0.151 0.000 1.102 634 L HN 0.658 nan 8.230 nan 0.000 0.470 635 H N 0.915 119.933 119.070 -0.087 0.000 2.887 635 H HA 0.336 4.892 4.556 -0.000 0.000 0.300 635 H C -0.589 174.797 175.328 0.097 0.000 1.038 635 H CA -0.696 55.350 56.048 -0.005 0.000 1.352 635 H CB 0.861 30.626 29.762 0.005 0.000 1.473 635 H HN 0.655 nan 8.280 nan 0.000 0.503 636 T N 1.132 115.560 114.554 -0.209 0.000 2.944 636 T HA 0.648 4.998 4.350 -0.000 0.000 0.284 636 T C -0.311 174.251 174.700 -0.230 0.000 1.010 636 T CA -1.003 61.005 62.100 -0.154 0.000 1.025 636 T CB 1.669 70.469 68.868 -0.113 0.000 1.079 636 T HN 0.466 nan 8.240 nan 0.000 0.516 637 S N 0.566 116.153 115.700 -0.189 0.000 2.592 637 S HA 0.495 4.965 4.470 -0.000 0.000 0.275 637 S C -1.181 173.367 174.600 -0.086 0.000 1.169 637 S CA -0.883 57.214 58.200 -0.172 0.000 0.958 637 S CB 0.381 63.441 63.200 -0.233 0.000 1.095 637 S HN 0.739 nan 8.310 nan 0.000 0.471 638 I N 3.552 124.094 120.570 -0.046 0.000 2.499 638 I HA 0.657 4.827 4.170 -0.000 0.000 0.296 638 I C 0.423 176.558 176.117 0.029 0.000 0.992 638 I CA -0.385 60.912 61.300 -0.004 0.000 1.297 638 I CB 1.726 39.711 38.000 -0.025 0.000 1.410 638 I HN 0.817 nan 8.210 nan 0.000 0.507 639 A N 4.872 127.741 122.820 0.081 0.000 2.943 639 A HA 0.659 4.979 4.320 -0.000 0.000 0.327 639 A C 0.353 177.968 177.584 0.052 0.000 1.141 639 A CA 0.110 52.193 52.037 0.077 0.000 0.773 639 A CB 0.113 19.201 19.000 0.147 0.000 1.143 639 A HN 1.083 nan 8.150 nan 0.000 0.463 640 G N 2.665 111.477 108.800 0.020 0.000 2.543 640 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.286 640 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.286 640 G C 1.147 176.042 174.900 -0.008 0.000 1.153 640 G CA 0.755 45.860 45.100 0.007 0.000 0.968 640 G HN 1.543 nan 8.290 nan 0.000 0.544 641 R N 1.498 121.989 120.500 -0.014 0.000 2.313 641 R HA 0.149 4.489 4.340 -0.000 0.000 0.199 641 R C 0.237 176.499 176.300 -0.063 0.000 0.958 641 R CA 0.617 56.697 56.100 -0.034 0.000 1.047 641 R CB -0.274 30.011 30.300 -0.026 0.000 0.955 641 R HN 0.395 nan 8.270 nan 0.000 0.481 642 N N 1.409 120.073 118.700 -0.061 0.000 2.530 642 N HA 0.205 4.945 4.740 -0.000 0.000 0.277 642 N C -1.225 174.181 175.510 -0.173 0.000 1.168 642 N CA -0.391 52.567 53.050 -0.152 0.000 0.979 642 N CB 1.411 39.819 38.487 -0.131 0.000 1.141 642 N HN 0.102 nan 8.380 nan 0.000 0.459 643 L N 2.477 123.514 121.223 -0.310 0.000 2.404 643 L HA 0.409 4.749 4.340 -0.000 0.000 0.272 643 L C -1.802 174.832 176.870 -0.393 0.000 0.980 643 L CA -0.627 54.069 54.840 -0.241 0.000 0.836 643 L CB 0.717 42.676 42.059 -0.167 0.000 1.238 643 L HN 0.416 nan 8.230 nan 0.000 0.408 644 Y N 5.835 125.983 120.300 -0.254 0.000 2.367 644 Y HA 0.589 5.139 4.550 -0.000 0.000 0.342 644 Y C -0.050 175.710 175.900 -0.233 0.000 0.979 644 Y CA -0.394 57.505 58.100 -0.336 0.000 1.161 644 Y CB 1.057 39.021 38.460 -0.827 0.000 1.155 644 Y HN 0.394 nan 8.280 nan 0.000 0.503 645 I N 4.186 124.813 120.570 0.096 0.000 2.362 645 I HA 0.409 4.579 4.170 -0.000 0.000 0.289 645 I C -0.123 176.116 176.117 0.203 0.000 0.994 645 I CA -0.805 60.532 61.300 0.060 0.000 1.158 645 I CB 1.570 39.549 38.000 -0.035 0.000 1.315 645 I HN 0.444 nan 8.210 nan 0.000 0.451 646 R N 6.228 126.834 120.500 0.177 0.000 2.233 646 R HA 0.433 4.773 4.340 -0.000 0.000 0.334 646 R C -1.257 175.058 176.300 0.024 0.000 1.037 646 R CA -0.522 55.710 56.100 0.220 0.000 0.920 646 R CB 0.396 30.836 30.300 0.233 0.000 1.137 646 R HN 0.355 nan 8.270 nan 0.000 0.492 647 F N 2.185 122.224 119.950 0.148 0.000 2.412 647 F HA 0.244 4.771 4.527 -0.000 0.000 0.348 647 F C 0.640 176.464 175.800 0.041 0.000 1.102 647 F CA 0.167 58.203 58.000 0.060 0.000 1.196 647 F CB 1.258 40.334 39.000 0.127 0.000 1.144 647 F HN 0.386 nan 8.300 nan 0.000 0.541 648 Q N 1.983 121.846 119.800 0.105 0.000 2.345 648 Q HA 0.630 4.970 4.340 -0.000 0.000 0.275 648 Q C -1.372 174.651 176.000 0.038 0.000 1.063 648 Q CA -0.630 55.223 55.803 0.084 0.000 0.819 648 Q CB 2.198 30.962 28.738 0.042 0.000 1.356 648 Q HN 0.729 nan 8.270 nan 0.000 0.418 649 S N 2.386 118.153 115.700 0.111 0.000 2.558 649 S HA 0.480 4.950 4.470 -0.000 0.000 0.277 649 S C -1.462 173.225 174.600 0.144 0.000 1.143 649 S CA -0.769 57.514 58.200 0.140 0.000 0.865 649 S CB 1.194 64.556 63.200 0.270 0.000 1.102 649 S HN 0.743 nan 8.310 nan 0.000 0.454 650 R N 1.287 121.859 120.500 0.120 0.000 2.774 650 R HA 0.446 4.786 4.340 -0.000 0.000 0.269 650 R C 0.481 176.845 176.300 0.107 0.000 1.068 650 R CA 0.575 56.724 56.100 0.083 0.000 1.180 650 R CB 0.430 30.767 30.300 0.061 0.000 1.077 650 R HN 0.788 nan 8.270 nan 0.000 0.513 651 S N -0.539 115.169 115.700 0.013 0.000 2.949 651 S HA 0.289 4.759 4.470 -0.000 0.000 0.246 651 S C 0.723 175.153 174.600 -0.283 0.000 0.899 651 S CA -0.306 57.891 58.200 -0.005 0.000 1.091 651 S CB 0.639 63.857 63.200 0.030 0.000 1.199 651 S HN 1.069 nan 8.310 nan 0.000 0.507 652 G N 3.104 111.535 108.800 -0.614 0.000 2.622 652 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.307 652 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.307 652 G C 0.198 174.823 174.900 -0.459 0.000 1.226 652 G CA 0.876 45.356 45.100 -1.033 0.000 0.997 652 G HN 0.490 nan 8.290 nan 0.000 0.551 653 D N 1.878 122.054 120.400 -0.374 0.000 2.360 653 D HA 0.410 5.050 4.640 -0.000 0.000 0.210 653 D C 1.434 177.653 176.300 -0.135 0.000 1.047 653 D CA 0.765 54.650 54.000 -0.193 0.000 0.854 653 D CB 0.236 40.953 40.800 -0.140 0.000 0.936 653 D HN 0.743 nan 8.370 nan 0.000 0.514 654 A N 1.247 123.988 122.820 -0.132 0.000 2.386 654 A HA 0.139 4.459 4.320 -0.000 0.000 0.248 654 A C 1.383 178.930 177.584 -0.060 0.000 1.082 654 A CA -0.316 51.678 52.037 -0.071 0.000 0.789 654 A CB 0.818 19.798 19.000 -0.033 0.000 1.025 654 A HN 0.001 nan 8.150 nan 0.000 0.490 655 M N 1.468 121.040 119.600 -0.046 0.000 2.159 655 M HA -0.050 4.430 4.480 -0.000 0.000 0.263 655 M C 1.332 177.632 176.300 -0.000 0.000 1.063 655 M CA 2.530 57.811 55.300 -0.031 0.000 1.110 655 M CB -0.802 31.777 32.600 -0.035 0.000 1.374 655 M HN 1.705 nan 8.290 nan 0.000 0.411 656 G N -0.313 108.493 108.800 0.009 0.000 2.131 656 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.223 656 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.223 656 G C 0.743 175.673 174.900 0.049 0.000 0.990 656 G CA 0.549 45.669 45.100 0.034 0.000 0.671 656 G HN 0.407 nan 8.290 nan 0.000 0.521 657 M N 0.144 119.768 119.600 0.040 0.000 2.132 657 M HA -0.012 4.468 4.480 -0.000 0.000 0.263 657 M C 2.309 178.631 176.300 0.036 0.000 1.065 657 M CA 1.431 56.760 55.300 0.047 0.000 1.122 657 M CB -0.676 31.950 32.600 0.043 0.000 1.365 657 M HN 0.340 nan 8.290 nan 0.000 0.411 658 N N -0.086 118.628 118.700 0.023 0.000 2.216 658 N HA -0.106 4.634 4.740 -0.000 0.000 0.183 658 N C 1.705 177.211 175.510 -0.008 0.000 1.017 658 N CA 0.969 54.024 53.050 0.008 0.000 0.861 658 N CB -0.224 38.267 38.487 0.008 0.000 0.986 658 N HN 0.387 nan 8.380 nan 0.000 0.428 659 M N 0.490 120.094 119.600 0.006 0.000 2.200 659 M HA -0.040 4.439 4.480 -0.000 0.000 0.265 659 M C 1.394 177.660 176.300 -0.056 0.000 1.066 659 M CA 1.119 56.412 55.300 -0.010 0.000 1.127 659 M CB 0.123 32.750 32.600 0.045 0.000 1.379 659 M HN -0.039 nan 8.290 nan 0.000 0.420 660 I N -0.355 120.226 120.570 0.018 0.000 2.617 660 I HA -0.137 4.033 4.170 -0.000 0.000 0.256 660 I C 2.191 178.300 176.117 -0.012 0.000 1.167 660 I CA 0.877 62.223 61.300 0.077 0.000 1.469 660 I CB -1.150 36.975 38.000 0.209 0.000 1.098 660 I HN 0.250 nan 8.210 nan 0.000 0.436 661 S N 0.628 116.315 115.700 -0.022 0.000 2.406 661 S HA -0.147 4.323 4.470 -0.000 0.000 0.228 661 S C 2.014 176.547 174.600 -0.112 0.000 1.020 661 S CA 1.044 59.220 58.200 -0.040 0.000 0.965 661 S CB -0.009 63.185 63.200 -0.009 0.000 0.798 661 S HN 0.386 nan 8.310 nan 0.000 0.488 662 K N 0.960 121.273 120.400 -0.145 0.000 2.062 662 K HA -0.016 4.304 4.320 -0.000 0.000 0.205 662 K C 2.207 178.627 176.600 -0.300 0.000 1.051 662 K CA 1.053 57.235 56.287 -0.175 0.000 0.941 662 K CB -0.443 31.972 32.500 -0.141 0.000 0.719 662 K HN 0.357 nan 8.250 nan 0.000 0.440 663 G N -0.345 108.136 108.800 -0.532 0.000 2.422 663 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.218 663 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.218 663 G C 1.342 175.811 174.900 -0.718 0.000 1.140 663 G CA 1.167 45.645 45.100 -1.036 0.000 0.775 663 G HN 0.296 nan 8.290 nan 0.000 0.545 664 T N 0.577 114.866 114.554 -0.441 0.000 2.857 664 T HA -0.006 4.343 4.350 -0.000 0.000 0.266 664 T C 2.148 176.667 174.700 -0.302 0.000 1.048 664 T CA 1.204 63.035 62.100 -0.447 0.000 1.139 664 T CB -0.064 68.618 68.868 -0.310 0.000 0.874 664 T HN 0.413 nan 8.240 nan 0.000 0.455 665 E N 0.675 120.759 120.200 -0.193 0.000 2.077 665 E HA -0.138 4.212 4.350 -0.000 0.000 0.193 665 E C 2.210 178.760 176.600 -0.084 0.000 0.989 665 E CA 0.961 57.294 56.400 -0.111 0.000 0.800 665 E CB -0.033 29.615 29.700 -0.088 0.000 0.746 665 E HN 0.174 nan 8.360 nan 0.000 0.452 666 K N 0.746 121.082 120.400 -0.107 0.000 2.155 666 K HA -0.018 4.302 4.320 -0.000 0.000 0.203 666 K C 1.718 178.323 176.600 0.009 0.000 1.052 666 K CA 1.060 57.317 56.287 -0.051 0.000 0.948 666 K CB -0.097 32.356 32.500 -0.078 0.000 0.728 666 K HN 0.081 nan 8.250 nan 0.000 0.448 667 A N 0.238 123.052 122.820 -0.010 0.000 1.929 667 A HA -0.021 4.299 4.320 -0.000 0.000 0.216 667 A C 2.004 179.685 177.584 0.161 0.000 1.176 667 A CA 1.155 53.260 52.037 0.112 0.000 0.628 667 A CB -0.460 18.599 19.000 0.099 0.000 0.816 667 A HN 0.290 nan 8.150 nan 0.000 0.444 668 L N -1.157 120.113 121.223 0.079 0.000 2.240 668 L HA -0.036 4.304 4.340 -0.000 0.000 0.211 668 L C 2.753 179.705 176.870 0.137 0.000 1.106 668 L CA 1.061 55.980 54.840 0.132 0.000 0.793 668 L CB -0.224 41.879 42.059 0.072 0.000 0.927 668 L HN 0.432 nan 8.230 nan 0.000 0.446 669 S N 0.137 115.896 115.700 0.099 0.000 2.387 669 S HA -0.185 4.285 4.470 -0.000 0.000 0.226 669 S C 2.038 176.746 174.600 0.180 0.000 1.026 669 S CA 1.366 59.636 58.200 0.117 0.000 0.972 669 S CB 0.040 63.279 63.200 0.065 0.000 0.814 669 S HN 0.192 nan 8.310 nan 0.000 0.477 670 K N 1.073 121.580 120.400 0.179 0.000 2.148 670 K HA 0.093 4.413 4.320 -0.000 0.000 0.204 670 K C 1.833 178.608 176.600 0.292 0.000 1.050 670 K CA 0.925 57.349 56.287 0.228 0.000 0.942 670 K CB -0.704 31.925 32.500 0.215 0.000 0.724 670 K HN 0.358 nan 8.250 nan 0.000 0.446 671 L N 0.482 121.866 121.223 0.268 0.000 2.141 671 L HA -0.087 4.253 4.340 -0.000 0.000 0.209 671 L C 2.206 179.249 176.870 0.289 0.000 1.094 671 L CA 1.789 56.787 54.840 0.263 0.000 0.763 671 L CB -0.604 41.618 42.059 0.271 0.000 0.908 671 L HN 0.458 nan 8.230 nan 0.000 0.437 672 H N -0.599 118.566 119.070 0.159 0.000 2.462 672 H HA -0.101 4.455 4.556 -0.000 0.000 0.292 672 H C 1.719 177.094 175.328 0.078 0.000 1.049 672 H CA 1.383 57.501 56.048 0.117 0.000 1.334 672 H CB 0.474 30.281 29.762 0.075 0.000 1.404 672 H HN 0.526 nan 8.280 nan 0.000 0.544 673 E N -0.214 120.018 120.200 0.055 0.000 2.110 673 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 673 E C 1.523 177.975 176.600 -0.247 0.000 0.988 673 E CA 1.098 57.444 56.400 -0.090 0.000 0.804 673 E CB 0.005 29.703 29.700 -0.002 0.000 0.745 673 E HN 0.559 nan 8.360 nan 0.000 0.458 674 Y N -1.156 118.956 120.300 -0.314 0.000 2.420 674 Y HA 0.058 4.608 4.550 -0.000 0.000 0.292 674 Y C 0.426 175.746 175.900 -0.965 0.000 1.119 674 Y CA 0.484 58.188 58.100 -0.661 0.000 1.229 674 Y CB 0.485 38.378 38.460 -0.945 0.000 1.026 674 Y HN -0.105 nan 8.280 nan 0.000 0.554 675 F N 0.759 120.609 119.950 -0.168 0.000 2.809 675 F HA 0.343 4.870 4.527 -0.000 0.000 0.369 675 F C -1.985 173.689 175.800 -0.210 0.000 1.225 675 F CA -2.268 55.630 58.000 -0.170 0.000 1.201 675 F CB 1.241 40.158 39.000 -0.139 0.000 1.527 675 F HN -0.184 nan 8.300 nan 0.000 0.565 676 P HA -0.114 nan 4.420 nan 0.000 0.226 676 P C 0.729 177.999 177.300 -0.050 0.000 1.153 676 P CA 1.272 64.112 63.100 -0.433 0.000 0.777 676 P CB 0.349 31.862 31.700 -0.312 0.000 0.794 677 E N -0.955 119.272 120.200 0.045 0.000 2.427 677 E HA 0.028 4.377 4.350 -0.000 0.000 0.196 677 E C 1.150 177.823 176.600 0.122 0.000 1.028 677 E CA -0.139 56.313 56.400 0.087 0.000 0.864 677 E CB -0.201 29.535 29.700 0.060 0.000 0.813 677 E HN 0.282 nan 8.360 nan 0.000 0.514 678 M N 1.777 121.484 119.600 0.179 0.000 2.245 678 M HA -0.027 4.453 4.480 -0.000 0.000 0.344 678 M C -0.313 176.071 176.300 0.141 0.000 1.170 678 M CA 0.575 55.965 55.300 0.149 0.000 1.135 678 M CB 0.664 33.367 32.600 0.171 0.000 1.574 678 M HN -0.116 nan 8.290 nan 0.000 0.452 679 Q N 4.941 124.765 119.800 0.039 0.000 2.330 679 Q HA 0.419 4.759 4.340 -0.000 0.000 0.269 679 Q C -1.543 174.437 176.000 -0.033 0.000 1.022 679 Q CA -0.598 55.198 55.803 -0.011 0.000 0.796 679 Q CB 1.281 30.012 28.738 -0.013 0.000 1.271 679 Q HN 0.800 nan 8.270 nan 0.000 0.450 680 I N 5.572 126.110 120.570 -0.054 0.000 2.311 680 I HA -0.038 4.132 4.170 -0.000 0.000 0.297 680 I C 0.921 177.015 176.117 -0.037 0.000 1.131 680 I CA -0.135 61.141 61.300 -0.040 0.000 1.289 680 I CB 0.548 38.522 38.000 -0.042 0.000 1.446 680 I HN 0.707 nan 8.210 nan 0.000 0.524 681 L N 6.677 127.877 121.223 -0.039 0.000 2.072 681 L HA 0.215 4.555 4.340 -0.000 0.000 0.205 681 L C 0.894 177.758 176.870 -0.010 0.000 1.079 681 L CA 1.244 56.066 54.840 -0.029 0.000 0.752 681 L CB -0.005 42.029 42.059 -0.042 0.000 0.906 681 L HN 0.698 nan 8.230 nan 0.000 0.436 682 A N -2.560 120.259 122.820 -0.002 0.000 2.540 682 A HA 0.407 4.727 4.320 -0.000 0.000 0.297 682 A C 0.236 177.844 177.584 0.040 0.000 1.056 682 A CA 0.028 52.079 52.037 0.023 0.000 0.700 682 A CB 0.641 19.666 19.000 0.041 0.000 1.280 682 A HN -0.160 nan 8.150 nan 0.000 0.398 683 V N 1.475 121.413 119.914 0.040 0.000 2.759 683 V HA 0.035 4.155 4.120 -0.000 0.000 0.256 683 V C 1.002 177.152 176.094 0.094 0.000 1.080 683 V CA 2.585 64.916 62.300 0.052 0.000 1.101 683 V CB 0.177 32.015 31.823 0.025 0.000 0.698 683 V HN 1.146 nan 8.190 nan 0.000 0.477 684 S N -0.431 115.327 115.700 0.097 0.000 2.640 684 S HA 0.608 5.078 4.470 -0.000 0.000 0.320 684 S C 0.464 175.152 174.600 0.147 0.000 1.097 684 S CA -0.019 58.261 58.200 0.133 0.000 1.092 684 S CB 1.204 64.471 63.200 0.111 0.000 0.988 684 S HN 0.455 nan 8.310 nan 0.000 0.470 685 G N 3.172 112.098 108.800 0.210 0.000 3.702 685 G HA2 0.211 4.171 3.960 -0.000 0.000 0.288 685 G HA3 0.211 4.171 3.960 -0.000 0.000 0.288 685 G C 0.359 175.444 174.900 0.308 0.000 1.193 685 G CA -0.645 44.615 45.100 0.266 0.000 0.952 685 G HN 0.821 nan 8.290 nan 0.000 0.544 686 N N -1.417 117.420 118.700 0.228 0.000 2.741 686 N HA -0.236 4.504 4.740 -0.000 0.000 0.251 686 N C 0.257 175.907 175.510 0.234 0.000 1.112 686 N CA 0.776 53.937 53.050 0.186 0.000 0.750 686 N CB -1.550 37.018 38.487 0.134 0.000 1.119 686 N HN 0.538 nan 8.380 nan 0.000 0.561 687 Y N -0.583 119.799 120.300 0.137 0.000 2.485 687 Y HA 0.256 4.806 4.550 -0.000 0.000 0.260 687 Y C 1.653 177.632 175.900 0.132 0.000 1.173 687 Y CA -0.209 57.963 58.100 0.120 0.000 1.252 687 Y CB 0.039 38.616 38.460 0.195 0.000 1.123 687 Y HN 0.352 nan 8.280 nan 0.000 0.524 688 C N -0.845 118.536 119.300 0.135 0.000 2.473 688 C HA -0.029 4.431 4.460 -0.000 0.000 0.279 688 C C 1.172 176.164 174.990 0.004 0.000 1.250 688 C CA 0.951 60.022 59.018 0.088 0.000 1.713 688 C CB -1.167 26.645 27.740 0.119 0.000 2.066 688 C HN 0.314 nan 8.230 nan 0.000 0.474 689 T N 0.958 115.515 114.554 0.005 0.000 2.829 689 T HA 0.384 4.734 4.350 -0.000 0.000 0.282 689 T C -1.000 173.733 174.700 0.055 0.000 0.990 689 T CA 0.110 62.236 62.100 0.043 0.000 1.028 689 T CB 1.368 70.255 68.868 0.031 0.000 0.951 689 T HN 0.304 nan 8.240 nan 0.000 0.460 690 D N 1.957 122.398 120.400 0.068 0.000 2.280 690 D HA 0.314 4.954 4.640 -0.000 0.000 0.236 690 D C 0.096 176.430 176.300 0.057 0.000 1.082 690 D CA -0.480 53.559 54.000 0.065 0.000 0.834 690 D CB 0.422 41.265 40.800 0.072 0.000 1.100 690 D HN 0.508 nan 8.370 nan 0.000 0.486 691 K N 0.808 121.240 120.400 0.053 0.000 3.274 691 K HA -0.233 4.087 4.320 -0.000 0.000 0.300 691 K C -0.549 176.072 176.600 0.035 0.000 1.230 691 K CA 0.797 57.111 56.287 0.045 0.000 0.884 691 K CB -0.950 31.578 32.500 0.047 0.000 1.242 691 K HN 0.325 nan 8.250 nan 0.000 0.467 692 K N 0.137 120.557 120.400 0.034 0.000 2.435 692 K HA 0.388 4.708 4.320 -0.000 0.000 0.251 692 K C -2.699 173.912 176.600 0.018 0.000 0.954 692 K CA -2.110 54.191 56.287 0.024 0.000 0.820 692 K CB 1.317 33.834 32.500 0.029 0.000 1.292 692 K HN -0.232 nan 8.250 nan 0.000 0.436 693 P HA 0.249 nan 4.420 nan 0.000 0.268 693 P C -1.396 175.906 177.300 0.004 0.000 1.204 693 P CA -0.357 62.739 63.100 -0.007 0.000 0.768 693 P CB 0.965 32.646 31.700 -0.032 0.000 0.842 694 A N 2.281 125.111 122.820 0.016 0.000 2.513 694 A HA 0.553 4.873 4.320 -0.000 0.000 0.296 694 A C 0.813 178.433 177.584 0.060 0.000 1.052 694 A CA -0.124 51.929 52.037 0.027 0.000 0.714 694 A CB 1.070 20.083 19.000 0.022 0.000 1.279 694 A HN 0.387 nan 8.150 nan 0.000 0.397 695 A N 1.867 124.726 122.820 0.065 0.000 2.070 695 A HA -0.024 4.296 4.320 -0.000 0.000 0.220 695 A C 1.724 179.393 177.584 0.143 0.000 1.159 695 A CA 1.750 53.866 52.037 0.132 0.000 0.656 695 A CB -0.520 18.545 19.000 0.109 0.000 0.800 695 A HN 1.245 nan 8.150 nan 0.000 0.453 696 I N -0.242 120.358 120.570 0.051 0.000 2.315 696 I HA -0.245 3.925 4.170 -0.000 0.000 0.248 696 I C 1.758 177.865 176.117 -0.017 0.000 1.117 696 I CA 1.449 62.736 61.300 -0.023 0.000 1.404 696 I CB -0.138 37.766 38.000 -0.160 0.000 1.071 696 I HN 0.267 nan 8.210 nan 0.000 0.419 697 N N 0.413 119.133 118.700 0.033 0.000 2.188 697 N HA -0.241 4.499 4.740 -0.000 0.000 0.184 697 N C 1.457 177.038 175.510 0.119 0.000 1.018 697 N CA 1.330 54.413 53.050 0.055 0.000 0.858 697 N CB -0.573 37.960 38.487 0.077 0.000 0.989 697 N HN 0.622 nan 8.380 nan 0.000 0.426 698 W N 1.288 122.573 121.300 -0.024 0.000 2.388 698 W HA -0.023 4.637 4.660 -0.000 0.000 0.294 698 W C 1.353 177.860 176.519 -0.020 0.000 1.212 698 W CA 0.740 58.081 57.345 -0.006 0.000 1.271 698 W CB -0.038 29.433 29.460 0.018 0.000 1.126 698 W HN -0.014 nan 8.180 nan 0.000 0.535 699 I N 0.223 120.760 120.570 -0.056 0.000 2.429 699 I HA -0.158 4.012 4.170 -0.000 0.000 0.247 699 I C 2.347 178.347 176.117 -0.195 0.000 1.099 699 I CA 0.937 62.130 61.300 -0.177 0.000 1.422 699 I CB -0.499 37.476 38.000 -0.041 0.000 1.112 699 I HN -0.247 nan 8.210 nan 0.000 0.430 700 E N 1.013 121.117 120.200 -0.161 0.000 2.318 700 E HA 0.158 4.508 4.350 -0.000 0.000 0.193 700 E C 0.877 177.389 176.600 -0.148 0.000 0.998 700 E CA 0.667 56.953 56.400 -0.191 0.000 0.859 700 E CB 0.186 29.733 29.700 -0.253 0.000 0.812 700 E HN 0.434 nan 8.360 nan 0.000 0.492 701 G N 1.507 110.238 108.800 -0.116 0.000 2.712 701 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.686 701 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.686 701 G C -0.570 174.305 174.900 -0.042 0.000 1.321 701 G CA -0.133 44.919 45.100 -0.080 0.000 0.813 701 G HN 0.189 nan 8.290 nan 0.000 0.599 702 R N 0.828 121.322 120.500 -0.010 0.000 2.535 702 R HA 0.605 4.945 4.340 -0.000 0.000 0.274 702 R C 1.039 177.354 176.300 0.025 0.000 1.090 702 R CA 0.838 56.946 56.100 0.013 0.000 0.930 702 R CB 1.190 31.507 30.300 0.028 0.000 1.223 702 R HN 2.761 nan 8.270 nan 0.000 0.441 703 G N 3.417 112.233 108.800 0.027 0.000 2.561 703 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.289 703 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.289 703 G C -1.095 173.812 174.900 0.010 0.000 1.169 703 G CA -0.019 45.096 45.100 0.025 0.000 0.980 703 G HN 0.478 nan 8.290 nan 0.000 0.550 704 K N 1.449 121.856 120.400 0.011 0.000 2.248 704 K HA 0.570 4.890 4.320 -0.000 0.000 0.281 704 K C -0.295 176.302 176.600 -0.004 0.000 1.054 704 K CA -0.181 56.106 56.287 -0.001 0.000 0.903 704 K CB 1.451 33.950 32.500 -0.001 0.000 1.077 704 K HN 0.432 nan 8.250 nan 0.000 0.474 705 S N 1.773 117.459 115.700 -0.022 0.000 2.475 705 S HA 0.478 4.948 4.470 -0.000 0.000 0.281 705 S C -0.006 174.574 174.600 -0.033 0.000 1.198 705 S CA -0.768 57.409 58.200 -0.038 0.000 1.063 705 S CB 0.934 64.095 63.200 -0.066 0.000 0.972 705 S HN 0.285 nan 8.310 nan 0.000 0.486 706 V N 3.021 122.918 119.914 -0.028 0.000 3.007 706 V HA 0.710 4.830 4.120 -0.000 0.000 0.311 706 V C -0.604 175.479 176.094 -0.020 0.000 1.120 706 V CA -0.780 61.508 62.300 -0.020 0.000 0.980 706 V CB 2.107 33.923 31.823 -0.012 0.000 1.033 706 V HN 0.593 nan 8.190 nan 0.000 0.429 707 V N 2.807 122.713 119.914 -0.014 0.000 2.841 707 V HA 0.819 4.939 4.120 -0.000 0.000 0.310 707 V C -0.670 175.423 176.094 -0.003 0.000 1.090 707 V CA -0.304 61.992 62.300 -0.008 0.000 0.930 707 V CB 1.773 33.592 31.823 -0.005 0.000 1.014 707 V HN 1.291 nan 8.190 nan 0.000 0.425 708 C N 4.028 123.324 119.300 -0.007 0.000 2.889 708 C HA 1.030 5.490 4.460 -0.000 0.000 0.307 708 C C -0.717 174.251 174.990 -0.036 0.000 1.251 708 C CA -0.566 58.445 59.018 -0.012 0.000 1.593 708 C CB 1.083 28.812 27.740 -0.017 0.000 2.104 708 C HN 1.103 nan 8.230 nan 0.000 0.476 709 E N 1.062 121.239 120.200 -0.039 0.000 2.412 709 E HA 0.787 5.137 4.350 -0.000 0.000 0.279 709 E C -1.327 175.226 176.600 -0.078 0.000 0.984 709 E CA -0.758 55.576 56.400 -0.111 0.000 0.788 709 E CB 1.910 31.609 29.700 -0.003 0.000 1.277 709 E HN 1.688 nan 8.360 nan 0.000 0.455 710 A N 0.907 123.635 122.820 -0.153 0.000 2.605 710 A HA 0.538 4.858 4.320 -0.000 0.000 0.294 710 A C -1.620 175.942 177.584 -0.038 0.000 1.062 710 A CA -0.703 51.303 52.037 -0.051 0.000 0.682 710 A CB 1.851 20.827 19.000 -0.040 0.000 1.278 710 A HN 0.357 nan 8.150 nan 0.000 0.410 711 V N 3.073 123.019 119.914 0.054 0.000 2.384 711 V HA 0.399 4.519 4.120 -0.000 0.000 0.287 711 V C -0.556 175.565 176.094 0.044 0.000 1.020 711 V CA -0.505 61.846 62.300 0.085 0.000 0.850 711 V CB 1.261 33.160 31.823 0.127 0.000 0.987 711 V HN 0.638 nan 8.190 nan 0.000 0.436 712 I N 6.988 127.577 120.570 0.032 0.000 2.297 712 I HA 0.381 4.550 4.170 -0.000 0.000 0.291 712 I C -2.257 173.877 176.117 0.028 0.000 1.033 712 I CA -2.939 58.374 61.300 0.022 0.000 1.253 712 I CB 0.999 39.006 38.000 0.011 0.000 1.396 712 I HN 0.339 nan 8.210 nan 0.000 0.476 713 P HA 0.022 nan 4.420 nan 0.000 0.267 713 P C 0.738 178.050 177.300 0.020 0.000 1.201 713 P CA 0.104 63.218 63.100 0.023 0.000 0.775 713 P CB 0.824 32.535 31.700 0.019 0.000 0.854 714 A N 3.562 126.393 122.820 0.019 0.000 1.940 714 A HA -0.241 4.079 4.320 -0.000 0.000 0.219 714 A C 2.079 179.671 177.584 0.012 0.000 1.176 714 A CA 1.734 53.780 52.037 0.016 0.000 0.631 714 A CB -1.055 17.954 19.000 0.015 0.000 0.814 714 A HN 0.581 nan 8.150 nan 0.000 0.446 715 K N -0.303 120.104 120.400 0.011 0.000 2.097 715 K HA -0.085 4.235 4.320 -0.000 0.000 0.206 715 K C 1.723 178.328 176.600 0.009 0.000 1.049 715 K CA 1.553 57.845 56.287 0.009 0.000 0.933 715 K CB -0.193 32.312 32.500 0.009 0.000 0.717 715 K HN 0.284 nan 8.250 nan 0.000 0.442 716 V N 0.636 120.556 119.914 0.011 0.000 2.548 716 V HA -0.173 3.947 4.120 -0.000 0.000 0.249 716 V C 2.219 178.319 176.094 0.009 0.000 1.055 716 V CA 1.132 63.438 62.300 0.010 0.000 1.065 716 V CB 0.071 31.901 31.823 0.012 0.000 0.681 716 V HN 0.123 nan 8.190 nan 0.000 0.462 717 V N -0.022 119.898 119.914 0.010 0.000 2.427 717 V HA -0.213 3.907 4.120 -0.000 0.000 0.248 717 V C 2.579 178.677 176.094 0.007 0.000 1.051 717 V CA 1.896 64.201 62.300 0.008 0.000 1.048 717 V CB -0.734 31.095 31.823 0.010 0.000 0.666 717 V HN 0.475 nan 8.190 nan 0.000 0.456 718 R N -0.232 120.272 120.500 0.007 0.000 2.062 718 R HA -0.081 4.259 4.340 -0.000 0.000 0.229 718 R C 2.328 178.631 176.300 0.005 0.000 1.128 718 R CA 1.495 57.599 56.100 0.005 0.000 0.960 718 R CB -0.184 30.120 30.300 0.006 0.000 0.855 718 R HN 0.600 nan 8.270 nan 0.000 0.432 719 E N -0.010 120.193 120.200 0.006 0.000 2.060 719 E HA -0.075 4.274 4.350 -0.000 0.000 0.189 719 E C 2.066 178.670 176.600 0.005 0.000 0.974 719 E CA 1.000 57.404 56.400 0.005 0.000 0.808 719 E CB 0.205 29.908 29.700 0.006 0.000 0.768 719 E HN 0.056 nan 8.360 nan 0.000 0.453 720 V N 1.231 121.149 119.914 0.006 0.000 2.379 720 V HA -0.130 3.990 4.120 -0.000 0.000 0.243 720 V C 2.087 178.185 176.094 0.006 0.000 1.035 720 V CA 1.218 63.522 62.300 0.007 0.000 1.035 720 V CB -0.199 31.629 31.823 0.009 0.000 0.673 720 V HN 0.207 nan 8.190 nan 0.000 0.457 721 L N -0.417 120.810 121.223 0.006 0.000 2.567 721 L HA 0.192 4.532 4.340 -0.000 0.000 0.225 721 L C 0.655 177.526 176.870 0.002 0.000 1.119 721 L CA 0.009 54.851 54.840 0.004 0.000 0.871 721 L CB -0.065 41.996 42.059 0.003 0.000 1.036 721 L HN 0.237 nan 8.230 nan 0.000 0.459 722 K N 0.733 121.134 120.400 0.002 0.000 3.096 722 K HA -0.183 4.137 4.320 -0.000 0.000 0.266 722 K C 0.118 176.718 176.600 -0.000 0.000 1.043 722 K CA 0.944 57.232 56.287 0.001 0.000 0.758 722 K CB -2.277 30.223 32.500 0.000 0.000 1.260 722 K HN 0.453 nan 8.250 nan 0.000 0.481 723 T N -1.688 112.867 114.554 0.001 0.000 2.637 723 T HA 0.582 4.932 4.350 -0.000 0.000 0.303 723 T C -1.131 173.571 174.700 0.003 0.000 1.288 723 T CA 0.273 62.374 62.100 0.001 0.000 1.040 723 T CB 1.690 70.557 68.868 -0.002 0.000 1.644 723 T HN 0.280 nan 8.240 nan 0.000 0.480 724 T N -1.268 113.288 114.554 0.004 0.000 2.930 724 T HA 0.497 4.847 4.350 -0.000 0.000 0.290 724 T C 1.050 175.755 174.700 0.008 0.000 1.052 724 T CA -0.236 61.868 62.100 0.006 0.000 1.017 724 T CB 1.095 69.967 68.868 0.006 0.000 1.137 724 T HN 0.447 nan 8.240 nan 0.000 0.511 725 T N 0.314 114.876 114.554 0.012 0.000 2.746 725 T HA -0.079 4.271 4.350 -0.000 0.000 0.267 725 T C 1.658 176.368 174.700 0.017 0.000 1.039 725 T CA 1.718 63.829 62.100 0.017 0.000 1.142 725 T CB -0.362 68.520 68.868 0.023 0.000 0.866 725 T HN 0.819 nan 8.240 nan 0.000 0.444 726 E N 0.655 120.863 120.200 0.014 0.000 2.077 726 E HA -0.112 4.238 4.350 -0.000 0.000 0.193 726 E C 2.374 178.980 176.600 0.010 0.000 0.989 726 E CA 0.979 57.387 56.400 0.013 0.000 0.800 726 E CB -0.165 29.541 29.700 0.010 0.000 0.746 726 E HN 0.474 nan 8.360 nan 0.000 0.452 727 A N 0.785 123.610 122.820 0.007 0.000 1.930 727 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 727 A C 2.151 179.737 177.584 0.003 0.000 1.175 727 A CA 1.243 53.283 52.037 0.004 0.000 0.627 727 A CB -0.319 18.682 19.000 0.001 0.000 0.815 727 A HN 0.262 nan 8.150 nan 0.000 0.443 728 M N -0.678 118.925 119.600 0.005 0.000 2.175 728 M HA -0.026 4.454 4.480 -0.000 0.000 0.264 728 M C 2.113 178.418 176.300 0.008 0.000 1.063 728 M CA 1.294 56.596 55.300 0.003 0.000 1.119 728 M CB -0.959 31.644 32.600 0.004 0.000 1.377 728 M HN 0.421 nan 8.290 nan 0.000 0.415 729 I N -0.119 120.460 120.570 0.014 0.000 2.315 729 I HA -0.237 3.933 4.170 -0.000 0.000 0.248 729 I C 2.321 178.448 176.117 0.017 0.000 1.117 729 I CA 0.910 62.223 61.300 0.020 0.000 1.404 729 I CB -0.315 37.700 38.000 0.026 0.000 1.071 729 I HN 0.214 nan 8.210 nan 0.000 0.419 730 E N 0.408 120.616 120.200 0.012 0.000 2.150 730 E HA -0.113 4.237 4.350 -0.000 0.000 0.193 730 E C 2.427 179.032 176.600 0.008 0.000 0.985 730 E CA 1.004 57.410 56.400 0.010 0.000 0.814 730 E CB -0.257 29.447 29.700 0.007 0.000 0.752 730 E HN 0.321 nan 8.360 nan 0.000 0.466 731 V N 1.599 121.516 119.914 0.004 0.000 2.453 731 V HA -0.200 3.920 4.120 -0.000 0.000 0.247 731 V C 2.189 178.285 176.094 0.004 0.000 1.048 731 V CA 1.682 63.982 62.300 -0.001 0.000 1.049 731 V CB -0.606 31.212 31.823 -0.009 0.000 0.672 731 V HN 0.207 nan 8.190 nan 0.000 0.457 732 N N 0.376 119.081 118.700 0.009 0.000 2.120 732 N HA -0.117 4.623 4.740 -0.000 0.000 0.188 732 N C 1.652 177.180 175.510 0.030 0.000 1.024 732 N CA 1.539 54.600 53.050 0.019 0.000 0.852 732 N CB -0.216 38.284 38.487 0.021 0.000 1.003 732 N HN 0.449 nan 8.380 nan 0.000 0.424 733 I N 0.305 120.891 120.570 0.027 0.000 2.179 733 I HA -0.234 3.936 4.170 -0.000 0.000 0.242 733 I C 1.433 177.568 176.117 0.031 0.000 1.088 733 I CA 1.007 62.325 61.300 0.030 0.000 1.357 733 I CB -0.234 37.779 38.000 0.023 0.000 1.051 733 I HN 0.264 nan 8.210 nan 0.000 0.409 734 N N 0.099 118.812 118.700 0.021 0.000 2.422 734 N HA -0.069 4.671 4.740 -0.000 0.000 0.181 734 N C 1.569 177.088 175.510 0.014 0.000 1.080 734 N CA 0.530 53.590 53.050 0.017 0.000 0.893 734 N CB 0.442 38.935 38.487 0.009 0.000 0.973 734 N HN 0.450 nan 8.380 nan 0.000 0.456 735 K N 0.776 121.184 120.400 0.014 0.000 2.267 735 K HA 0.131 4.450 4.320 -0.000 0.000 0.213 735 K C 1.047 177.658 176.600 0.019 0.000 1.060 735 K CA 0.155 56.445 56.287 0.005 0.000 0.935 735 K CB 0.209 32.703 32.500 -0.009 0.000 1.096 735 K HN -0.165 nan 8.250 nan 0.000 0.468 736 N N 1.052 119.775 118.700 0.038 0.000 2.396 736 N HA -0.028 4.712 4.740 -0.000 0.000 0.180 736 N C 1.705 177.321 175.510 0.176 0.000 1.028 736 N CA 0.845 53.941 53.050 0.076 0.000 0.893 736 N CB 0.140 38.673 38.487 0.076 0.000 0.967 736 N HN 0.247 nan 8.380 nan 0.000 0.440 737 L N -0.951 120.360 121.223 0.147 0.000 2.379 737 L HA 0.138 4.478 4.340 -0.000 0.000 0.190 737 L C 1.986 178.955 176.870 0.164 0.000 1.111 737 L CA 0.310 55.265 54.840 0.191 0.000 0.820 737 L CB -0.520 41.590 42.059 0.084 0.000 1.046 737 L HN -0.152 nan 8.230 nan 0.000 0.485 738 V N 0.517 120.482 119.914 0.086 0.000 2.379 738 V HA -0.093 4.027 4.120 -0.000 0.000 0.245 738 V C 2.585 178.704 176.094 0.042 0.000 1.044 738 V CA 1.894 64.230 62.300 0.060 0.000 1.036 738 V CB -1.155 30.689 31.823 0.035 0.000 0.664 738 V HN 0.561 nan 8.190 nan 0.000 0.453 739 G N -0.326 108.490 108.800 0.027 0.000 2.421 739 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.216 739 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.216 739 G C 1.847 176.730 174.900 -0.029 0.000 1.171 739 G CA 1.201 46.299 45.100 -0.003 0.000 0.775 739 G HN 0.499 nan 8.290 nan 0.000 0.543 740 S N 0.967 116.643 115.700 -0.041 0.000 2.399 740 S HA 0.027 4.497 4.470 -0.000 0.000 0.231 740 S C 2.745 177.266 174.600 -0.132 0.000 1.022 740 S CA 1.103 59.206 58.200 -0.162 0.000 0.983 740 S CB -0.290 62.705 63.200 -0.341 0.000 0.803 740 S HN 0.589 nan 8.310 nan 0.000 0.480 741 A N 1.748 124.584 122.820 0.026 0.000 1.902 741 A HA -0.064 4.256 4.320 -0.000 0.000 0.217 741 A C 2.047 179.636 177.584 0.008 0.000 1.181 741 A CA 1.358 53.437 52.037 0.070 0.000 0.623 741 A CB -0.489 18.587 19.000 0.125 0.000 0.818 741 A HN 0.358 nan 8.150 nan 0.000 0.443 742 M N -0.303 119.296 119.600 -0.002 0.000 2.229 742 M HA -0.009 4.471 4.480 -0.000 0.000 0.264 742 M C 2.224 178.505 176.300 -0.031 0.000 1.063 742 M CA 1.202 56.495 55.300 -0.012 0.000 1.114 742 M CB -1.512 31.083 32.600 -0.010 0.000 1.387 742 M HN 0.468 nan 8.290 nan 0.000 0.420 743 A N -0.659 122.128 122.820 -0.054 0.000 2.208 743 A HA 0.403 4.723 4.320 -0.000 0.000 0.209 743 A C 1.529 179.064 177.584 -0.083 0.000 1.161 743 A CA 0.844 52.838 52.037 -0.071 0.000 0.782 743 A CB -0.777 18.167 19.000 -0.093 0.000 0.816 743 A HN 0.635 nan 8.150 nan 0.000 0.477 744 G N -0.307 108.444 108.800 -0.081 0.000 2.248 744 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.263 744 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.263 744 G C 0.162 174.983 174.900 -0.132 0.000 1.082 744 G CA 0.508 45.561 45.100 -0.079 0.000 0.863 744 G HN 0.997 nan 8.290 nan 0.000 0.495 745 S N -0.456 115.113 115.700 -0.218 0.000 2.562 745 S HA 0.719 5.189 4.470 -0.000 0.000 0.275 745 S C 0.515 174.883 174.600 -0.387 0.000 1.281 745 S CA -0.779 57.207 58.200 -0.356 0.000 1.045 745 S CB 0.355 63.222 63.200 -0.556 0.000 0.962 745 S HN 0.392 nan 8.310 nan 0.000 0.503 746 I N 4.417 124.768 120.570 -0.366 0.000 2.390 746 I HA 0.369 4.538 4.170 -0.000 0.000 0.283 746 I C 1.247 176.975 176.117 -0.649 0.000 1.016 746 I CA 0.104 61.166 61.300 -0.397 0.000 1.151 746 I CB 0.173 38.041 38.000 -0.220 0.000 1.293 746 I HN 1.025 nan 8.210 nan 0.000 0.458 747 G N 4.769 112.924 108.800 -1.075 0.000 2.176 747 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.253 747 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.253 747 G C 0.779 175.253 174.900 -0.709 0.000 0.979 747 G CA 0.008 44.228 45.100 -1.466 0.000 0.641 747 G HN 0.894 nan 8.290 nan 0.000 0.530 748 G N -0.183 108.209 108.800 -0.680 0.000 4.294 748 G HA2 0.485 4.445 3.960 -0.000 0.000 0.301 748 G HA3 0.485 4.445 3.960 -0.000 0.000 0.301 748 G C 0.090 174.712 174.900 -0.463 0.000 1.321 748 G CA -0.479 44.352 45.100 -0.448 0.000 1.190 748 G HN 0.397 nan 8.290 nan 0.000 0.600 749 Y N 1.592 121.801 120.300 -0.152 0.000 2.960 749 Y HA 0.241 4.791 4.550 -0.000 0.000 0.393 749 Y C 0.742 176.635 175.900 -0.010 0.000 1.118 749 Y CA -0.838 57.226 58.100 -0.061 0.000 1.850 749 Y CB -0.380 38.069 38.460 -0.018 0.000 1.827 749 Y HN 0.573 nan 8.280 nan 0.000 0.463 750 N N -1.919 116.810 118.700 0.047 0.000 2.934 750 N HA 0.665 5.405 4.740 -0.000 0.000 0.253 750 N C 0.126 175.645 175.510 0.014 0.000 1.466 750 N CA -0.514 52.567 53.050 0.052 0.000 0.858 750 N CB 0.738 39.265 38.487 0.067 0.000 1.459 750 N HN -0.054 nan 8.380 nan 0.000 0.532 751 A N -0.460 122.374 122.820 0.023 0.000 1.850 751 A HA 0.077 4.396 4.320 -0.000 0.000 0.212 751 A C 0.716 178.324 177.584 0.042 0.000 1.208 751 A CA 1.510 53.529 52.037 -0.030 0.000 0.609 751 A CB -0.936 17.985 19.000 -0.131 0.000 0.860 751 A HN 0.963 nan 8.150 nan 0.000 0.448 752 H N -4.753 114.300 119.070 -0.028 0.000 3.345 752 H HA 0.622 5.177 4.556 -0.000 0.000 0.215 752 H C 0.771 176.077 175.328 -0.037 0.000 1.368 752 H CA -0.005 56.022 56.048 -0.035 0.000 1.211 752 H CB -0.207 29.537 29.762 -0.031 0.000 2.467 752 H HN 0.291 nan 8.280 nan 0.000 0.530 753 A N 1.362 124.226 122.820 0.074 0.000 1.958 753 A HA -0.191 4.129 4.320 -0.000 0.000 0.221 753 A C 2.568 180.091 177.584 -0.101 0.000 1.178 753 A CA 2.151 54.173 52.037 -0.025 0.000 0.642 753 A CB -0.812 18.190 19.000 0.002 0.000 0.816 753 A HN 0.749 nan 8.150 nan 0.000 0.453 754 A N -0.109 122.662 122.820 -0.081 0.000 1.972 754 A HA -0.215 4.105 4.320 -0.000 0.000 0.219 754 A C 1.955 179.455 177.584 -0.139 0.000 1.169 754 A CA 1.830 53.799 52.037 -0.112 0.000 0.635 754 A CB -0.619 18.335 19.000 -0.076 0.000 0.810 754 A HN 0.556 nan 8.150 nan 0.000 0.446 755 N N -0.109 118.498 118.700 -0.156 0.000 2.069 755 N HA -0.133 4.607 4.740 -0.000 0.000 0.191 755 N C 1.476 176.865 175.510 -0.201 0.000 1.031 755 N CA 1.635 54.573 53.050 -0.187 0.000 0.852 755 N CB -0.400 37.917 38.487 -0.283 0.000 1.018 755 N HN 0.434 nan 8.380 nan 0.000 0.423 756 I N 0.197 120.619 120.570 -0.248 0.000 2.233 756 I HA -0.137 4.033 4.170 -0.000 0.000 0.243 756 I C 2.230 178.262 176.117 -0.143 0.000 1.093 756 I CA 0.498 61.690 61.300 -0.180 0.000 1.380 756 I CB -0.537 37.359 38.000 -0.174 0.000 1.067 756 I HN -0.127 nan 8.210 nan 0.000 0.413 757 V N 0.215 120.010 119.914 -0.197 0.000 2.287 757 V HA -0.332 3.788 4.120 -0.000 0.000 0.248 757 V C 2.475 178.349 176.094 -0.366 0.000 1.053 757 V CA 2.548 64.648 62.300 -0.334 0.000 1.027 757 V CB -1.136 30.417 31.823 -0.449 0.000 0.646 757 V HN 0.457 nan 8.190 nan 0.000 0.447 758 T N 0.247 114.651 114.554 -0.250 0.000 2.746 758 T HA -0.164 4.186 4.350 -0.000 0.000 0.267 758 T C 2.035 176.724 174.700 -0.017 0.000 1.039 758 T CA 1.639 63.663 62.100 -0.128 0.000 1.142 758 T CB -0.441 68.373 68.868 -0.091 0.000 0.866 758 T HN 0.579 nan 8.240 nan 0.000 0.444 759 A N 1.077 123.876 122.820 -0.034 0.000 1.877 759 A HA 0.009 4.328 4.320 -0.000 0.000 0.216 759 A C 2.287 179.896 177.584 0.041 0.000 1.186 759 A CA 1.180 53.216 52.037 -0.001 0.000 0.620 759 A CB -0.734 18.250 19.000 -0.028 0.000 0.822 759 A HN 0.521 nan 8.150 nan 0.000 0.443 760 I N -1.966 118.639 120.570 0.058 0.000 2.315 760 I HA -0.226 3.944 4.170 -0.000 0.000 0.248 760 I C 2.324 178.559 176.117 0.197 0.000 1.117 760 I CA 1.075 62.440 61.300 0.108 0.000 1.404 760 I CB -0.345 37.720 38.000 0.109 0.000 1.071 760 I HN 0.325 nan 8.210 nan 0.000 0.419 761 Y N 0.797 121.084 120.300 -0.021 0.000 2.200 761 Y HA -0.166 4.384 4.550 -0.000 0.000 0.290 761 Y C 2.404 178.301 175.900 -0.005 0.000 1.137 761 Y CA 1.117 59.209 58.100 -0.013 0.000 1.163 761 Y CB -0.590 37.864 38.460 -0.011 0.000 0.988 761 Y HN 0.082 nan 8.280 nan 0.000 0.518 762 I N -0.831 119.833 120.570 0.156 0.000 2.315 762 I HA -0.269 3.901 4.170 -0.000 0.000 0.248 762 I C 2.500 178.650 176.117 0.054 0.000 1.117 762 I CA 1.126 62.477 61.300 0.085 0.000 1.404 762 I CB -0.532 37.508 38.000 0.066 0.000 1.071 762 I HN 0.108 nan 8.210 nan 0.000 0.419 763 A N -0.581 122.271 122.820 0.052 0.000 1.930 763 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 763 A C 2.018 179.612 177.584 0.017 0.000 1.175 763 A CA 1.395 53.452 52.037 0.033 0.000 0.627 763 A CB -0.811 18.208 19.000 0.031 0.000 0.815 763 A HN 0.562 nan 8.150 nan 0.000 0.443 764 C N -0.844 118.461 119.300 0.009 0.000 2.778 764 C HA 0.516 4.976 4.460 -0.000 0.000 0.294 764 C C 1.693 176.652 174.990 -0.051 0.000 1.331 764 C CA -0.169 58.835 59.018 -0.024 0.000 1.741 764 C CB -1.100 26.617 27.740 -0.039 0.000 2.106 764 C HN 1.045 nan 8.230 nan 0.000 0.603 765 G N 1.460 110.241 108.800 -0.031 0.000 2.176 765 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.252 765 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.252 765 G C -0.007 174.849 174.900 -0.074 0.000 1.024 765 G CA 0.070 45.149 45.100 -0.034 0.000 0.755 765 G HN 0.523 nan 8.290 nan 0.000 0.507 766 Q N 0.048 119.771 119.800 -0.129 0.000 2.318 766 Q HA 0.339 4.679 4.340 -0.000 0.000 0.222 766 Q C -0.018 175.936 176.000 -0.077 0.000 1.003 766 Q CA -0.601 55.060 55.803 -0.236 0.000 0.936 766 Q CB 0.596 28.910 28.738 -0.707 0.000 1.204 766 Q HN 0.315 nan 8.270 nan 0.000 0.524 767 D N 0.323 120.691 120.400 -0.053 0.000 2.374 767 D HA 0.204 4.844 4.640 -0.000 0.000 0.240 767 D C 0.327 176.731 176.300 0.174 0.000 1.229 767 D CA -0.034 53.997 54.000 0.053 0.000 0.895 767 D CB 0.815 41.642 40.800 0.045 0.000 1.046 767 D HN 0.536 nan 8.370 nan 0.000 0.498 768 A N 3.713 126.632 122.820 0.165 0.000 2.067 768 A HA -0.042 4.278 4.320 -0.000 0.000 0.219 768 A C 2.054 179.709 177.584 0.119 0.000 1.158 768 A CA 1.413 53.563 52.037 0.189 0.000 0.661 768 A CB -0.124 18.947 19.000 0.117 0.000 0.801 768 A HN 0.601 nan 8.150 nan 0.000 0.452 769 A N -0.572 122.305 122.820 0.095 0.000 2.067 769 A HA -0.149 4.171 4.320 -0.000 0.000 0.219 769 A C 1.894 179.521 177.584 0.071 0.000 1.158 769 A CA 1.260 53.336 52.037 0.065 0.000 0.661 769 A CB -0.407 18.626 19.000 0.055 0.000 0.801 769 A HN 0.648 nan 8.150 nan 0.000 0.452 770 Q N -0.213 119.658 119.800 0.119 0.000 2.482 770 Q HA -0.106 4.234 4.340 -0.000 0.000 0.209 770 Q C 1.329 177.382 176.000 0.088 0.000 0.961 770 Q CA 0.775 56.656 55.803 0.130 0.000 0.945 770 Q CB -0.357 28.494 28.738 0.188 0.000 1.012 770 Q HN 1.002 nan 8.270 nan 0.000 0.515 771 N N -1.182 117.523 118.700 0.007 0.000 2.453 771 N HA -0.133 4.607 4.740 -0.000 0.000 0.183 771 N C 1.404 176.872 175.510 -0.071 0.000 1.041 771 N CA 0.639 53.611 53.050 -0.130 0.000 0.900 771 N CB -0.083 38.300 38.487 -0.172 0.000 0.961 771 N HN -0.081 nan 8.380 nan 0.000 0.443 772 V N 0.357 120.258 119.914 -0.022 0.000 2.252 772 V HA -0.199 3.921 4.120 -0.000 0.000 0.249 772 V C 2.458 178.547 176.094 -0.009 0.000 1.056 772 V CA 2.261 64.551 62.300 -0.016 0.000 1.022 772 V CB -1.153 30.671 31.823 0.002 0.000 0.641 772 V HN 0.703 nan 8.190 nan 0.000 0.445 773 G N -1.874 106.936 108.800 0.017 0.000 2.545 773 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.212 773 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.212 773 G C 1.718 176.647 174.900 0.048 0.000 1.144 773 G CA 0.743 45.868 45.100 0.041 0.000 0.813 773 G HN 0.485 nan 8.290 nan 0.000 0.531 774 S N 1.135 116.850 115.700 0.025 0.000 2.447 774 S HA -0.043 4.427 4.470 -0.000 0.000 0.233 774 S C 2.368 176.948 174.600 -0.035 0.000 1.006 774 S CA 1.075 59.284 58.200 0.014 0.000 0.957 774 S CB -0.009 63.189 63.200 -0.004 0.000 0.773 774 S HN 0.305 nan 8.310 nan 0.000 0.507 775 S N 1.741 117.405 115.700 -0.059 0.000 2.593 775 S HA 0.140 4.610 4.470 -0.000 0.000 0.217 775 S C 0.360 174.966 174.600 0.011 0.000 0.966 775 S CA -0.263 57.902 58.200 -0.058 0.000 0.914 775 S CB -0.183 62.962 63.200 -0.091 0.000 0.776 775 S HN 0.424 nan 8.310 nan 0.000 0.523 776 N N 2.019 120.759 118.700 0.065 0.000 2.301 776 N HA 0.045 4.785 4.740 -0.000 0.000 0.267 776 N C -0.542 175.130 175.510 0.270 0.000 1.304 776 N CA 0.451 53.603 53.050 0.170 0.000 0.851 776 N CB 0.257 38.949 38.487 0.341 0.000 1.070 776 N HN 0.297 nan 8.380 nan 0.000 0.483 777 C N 3.899 123.372 119.300 0.288 0.000 3.113 777 C HA 0.558 5.018 4.460 -0.000 0.000 0.376 777 C C -0.851 174.341 174.990 0.337 0.000 1.077 777 C CA -0.995 58.194 59.018 0.285 0.000 1.253 777 C CB 0.446 28.267 27.740 0.136 0.000 1.637 777 C HN 0.754 nan 8.230 nan 0.000 0.535 778 I N 4.988 125.782 120.570 0.374 0.000 2.389 778 I HA 0.550 4.720 4.170 -0.000 0.000 0.288 778 I C -0.172 176.045 176.117 0.167 0.000 0.999 778 I CA 0.344 61.834 61.300 0.315 0.000 1.129 778 I CB 1.810 40.026 38.000 0.359 0.000 1.288 778 I HN 0.759 nan 8.210 nan 0.000 0.444 779 T N 8.249 122.881 114.554 0.131 0.000 2.758 779 T HA 0.538 4.888 4.350 -0.000 0.000 0.285 779 T C -0.308 174.426 174.700 0.057 0.000 0.981 779 T CA -0.349 61.794 62.100 0.071 0.000 0.965 779 T CB 0.739 69.642 68.868 0.059 0.000 0.927 779 T HN 0.353 nan 8.240 nan 0.000 0.448 780 L N 3.801 125.044 121.223 0.033 0.000 2.342 780 L HA 0.712 5.052 4.340 -0.000 0.000 0.271 780 L C -0.291 176.593 176.870 0.023 0.000 1.008 780 L CA -0.878 53.987 54.840 0.042 0.000 0.818 780 L CB 1.847 43.948 42.059 0.069 0.000 1.296 780 L HN 0.430 nan 8.230 nan 0.000 0.427 781 M N 3.026 122.658 119.600 0.053 0.000 2.324 781 M HA 0.418 4.898 4.480 -0.000 0.000 0.288 781 M C -1.142 175.219 176.300 0.102 0.000 1.097 781 M CA -0.460 54.875 55.300 0.059 0.000 0.928 781 M CB 2.924 35.540 32.600 0.027 0.000 1.648 781 M HN 0.661 nan 8.290 nan 0.000 0.460 782 E N 1.791 122.086 120.200 0.159 0.000 2.449 782 E HA 0.846 5.196 4.350 -0.000 0.000 0.278 782 E C -1.377 175.293 176.600 0.116 0.000 0.992 782 E CA -1.213 55.261 56.400 0.122 0.000 0.807 782 E CB 1.789 31.556 29.700 0.111 0.000 1.350 782 E HN 0.656 nan 8.360 nan 0.000 0.462 783 A N 0.829 123.689 122.820 0.068 0.000 2.386 783 A HA 0.545 4.865 4.320 -0.000 0.000 0.248 783 A C -0.081 177.531 177.584 0.047 0.000 1.082 783 A CA 0.117 52.186 52.037 0.053 0.000 0.789 783 A CB 0.927 19.945 19.000 0.030 0.000 1.025 783 A HN 0.465 nan 8.150 nan 0.000 0.490 784 S N -0.816 114.912 115.700 0.046 0.000 2.596 784 S HA 0.753 5.223 4.470 -0.000 0.000 0.270 784 S C -0.158 174.456 174.600 0.023 0.000 1.155 784 S CA 0.777 58.996 58.200 0.032 0.000 0.827 784 S CB 1.103 64.350 63.200 0.078 0.000 1.130 784 S HN 2.811 nan 8.310 nan 0.000 0.467 785 G N 2.513 111.319 108.800 0.010 0.000 2.757 785 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.638 785 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.638 785 G C -2.052 172.850 174.900 0.003 0.000 1.344 785 G CA -0.102 45.004 45.100 0.009 0.000 0.855 785 G HN 0.614 nan 8.290 nan 0.000 0.537 786 P HA -0.017 nan 4.420 nan 0.000 0.218 786 P C 1.726 179.027 177.300 0.001 0.000 1.152 786 P CA 2.651 65.751 63.100 0.000 0.000 0.826 786 P CB -0.209 31.492 31.700 0.001 0.000 0.790 787 T N -5.272 109.285 114.554 0.005 0.000 3.107 787 T HA 0.143 4.493 4.350 -0.000 0.000 0.249 787 T C 0.851 175.555 174.700 0.007 0.000 1.096 787 T CA 0.171 62.274 62.100 0.005 0.000 1.012 787 T CB -1.020 67.852 68.868 0.006 0.000 0.977 787 T HN -0.033 nan 8.240 nan 0.000 0.527 788 N N 1.093 119.798 118.700 0.008 0.000 2.741 788 N HA -0.162 4.578 4.740 -0.000 0.000 0.250 788 N C 0.255 175.775 175.510 0.016 0.000 1.115 788 N CA 1.156 54.212 53.050 0.011 0.000 0.724 788 N CB -1.411 37.080 38.487 0.007 0.000 1.090 788 N HN 0.767 nan 8.380 nan 0.000 0.558 789 E N -1.108 119.103 120.200 0.018 0.000 2.511 789 E HA 0.092 4.442 4.350 -0.000 0.000 0.209 789 E C -0.652 175.963 176.600 0.025 0.000 0.986 789 E CA -0.249 56.162 56.400 0.019 0.000 0.974 789 E CB 0.380 30.088 29.700 0.014 0.000 1.030 789 E HN 0.382 nan 8.360 nan 0.000 0.490 790 D N 1.119 121.537 120.400 0.031 0.000 2.264 790 D HA 0.133 4.773 4.640 -0.000 0.000 0.249 790 D C -0.468 175.867 176.300 0.058 0.000 1.070 790 D CA -0.377 53.648 54.000 0.041 0.000 0.912 790 D CB 1.787 42.614 40.800 0.045 0.000 1.193 790 D HN -0.040 nan 8.370 nan 0.000 0.427 791 L N 3.236 124.493 121.223 0.058 0.000 2.264 791 L HA 0.208 4.548 4.340 -0.000 0.000 0.287 791 L C -1.187 175.738 176.870 0.093 0.000 1.039 791 L CA -0.721 54.158 54.840 0.065 0.000 0.829 791 L CB 0.263 42.340 42.059 0.031 0.000 1.211 791 L HN 0.232 nan 8.230 nan 0.000 0.427 792 Y N 6.050 126.356 120.300 0.009 0.000 2.359 792 Y HA 0.503 5.053 4.550 -0.000 0.000 0.334 792 Y C -0.549 175.358 175.900 0.012 0.000 1.058 792 Y CA -0.213 57.892 58.100 0.010 0.000 1.244 792 Y CB 0.765 39.229 38.460 0.007 0.000 1.187 792 Y HN 0.663 nan 8.280 nan 0.000 0.510 793 I N 6.058 126.248 120.570 -0.633 0.000 2.608 793 I HA 0.603 4.773 4.170 -0.000 0.000 0.295 793 I C -1.325 174.389 176.117 -0.672 0.000 1.049 793 I CA -0.413 60.597 61.300 -0.483 0.000 1.063 793 I CB 1.634 39.509 38.000 -0.208 0.000 1.248 793 I HN 0.752 nan 8.210 nan 0.000 0.424 794 S N 5.703 121.170 115.700 -0.387 0.000 2.546 794 S HA 0.682 5.152 4.470 -0.000 0.000 0.274 794 S C -1.263 173.291 174.600 -0.078 0.000 1.121 794 S CA -0.684 57.382 58.200 -0.223 0.000 0.887 794 S CB 1.438 64.563 63.200 -0.125 0.000 1.094 794 S HN 0.685 nan 8.310 nan 0.000 0.474 795 C N 2.140 121.417 119.300 -0.040 0.000 2.408 795 C HA 0.848 5.308 4.460 -0.000 0.000 0.321 795 C C -0.057 174.943 174.990 0.018 0.000 1.245 795 C CA -0.396 58.627 59.018 0.008 0.000 1.523 795 C CB 1.215 28.962 27.740 0.012 0.000 2.178 795 C HN 0.964 nan 8.230 nan 0.000 0.488 796 T N 4.479 119.060 114.554 0.044 0.000 2.809 796 T HA 0.536 4.886 4.350 -0.000 0.000 0.284 796 T C -0.446 174.285 174.700 0.051 0.000 0.992 796 T CA -0.226 61.886 62.100 0.020 0.000 0.957 796 T CB 0.759 69.618 68.868 -0.014 0.000 0.942 796 T HN 0.567 nan 8.240 nan 0.000 0.439 797 M N 5.207 124.823 119.600 0.026 0.000 1.999 797 M HA 0.267 4.747 4.480 -0.000 0.000 0.299 797 M C -1.923 174.384 176.300 0.012 0.000 0.900 797 M CA -2.088 53.249 55.300 0.061 0.000 0.904 797 M CB 2.451 35.083 32.600 0.054 0.000 1.477 797 M HN 0.263 nan 8.290 nan 0.000 0.403 798 P HA -0.003 nan 4.420 nan 0.000 0.241 798 P C 0.182 177.471 177.300 -0.019 0.000 1.191 798 P CA 0.735 63.782 63.100 -0.089 0.000 0.771 798 P CB 0.229 31.776 31.700 -0.254 0.000 0.929 799 S N -1.059 114.667 115.700 0.045 0.000 2.569 799 S HA 0.336 4.806 4.470 -0.000 0.000 0.215 799 S C -0.072 174.572 174.600 0.073 0.000 1.096 799 S CA -0.651 57.583 58.200 0.057 0.000 1.183 799 S CB -1.170 62.081 63.200 0.084 0.000 1.324 799 S HN -0.082 nan 8.310 nan 0.000 0.421 800 I N 2.386 122.996 120.570 0.068 0.000 2.406 800 I HA 0.167 4.337 4.170 -0.000 0.000 0.293 800 I C 0.050 176.235 176.117 0.113 0.000 1.101 800 I CA 0.050 61.413 61.300 0.106 0.000 1.334 800 I CB 0.281 38.336 38.000 0.091 0.000 1.421 800 I HN 0.385 nan 8.210 nan 0.000 0.513 801 E N 7.385 127.680 120.200 0.159 0.000 2.089 801 E HA 0.603 4.953 4.350 -0.000 0.000 0.284 801 E C -0.612 176.029 176.600 0.068 0.000 1.023 801 E CA -0.083 56.383 56.400 0.111 0.000 0.819 801 E CB 1.589 31.358 29.700 0.116 0.000 1.076 801 E HN 0.481 nan 8.360 nan 0.000 0.396 802 I N 1.575 122.132 120.570 -0.022 0.000 3.004 802 I HA 0.703 4.873 4.170 -0.000 0.000 0.305 802 I C -0.989 175.059 176.117 -0.114 0.000 1.312 802 I CA -0.495 60.724 61.300 -0.136 0.000 0.992 802 I CB 2.167 40.106 38.000 -0.100 0.000 1.282 802 I HN 0.584 nan 8.210 nan 0.000 0.449 803 G N 0.803 109.513 108.800 -0.150 0.000 2.632 803 G HA2 0.430 4.390 3.960 -0.000 0.000 0.292 803 G HA3 0.430 4.390 3.960 -0.000 0.000 0.292 803 G C -0.452 174.381 174.900 -0.111 0.000 1.465 803 G CA 0.247 45.280 45.100 -0.111 0.000 0.824 803 G HN 0.626 nan 8.290 nan 0.000 0.509 804 T N -2.642 111.860 114.554 -0.086 0.000 3.084 804 T HA 0.458 4.808 4.350 -0.000 0.000 0.270 804 T C 0.488 175.156 174.700 -0.053 0.000 1.008 804 T CA 0.617 62.675 62.100 -0.070 0.000 0.900 804 T CB -0.180 68.652 68.868 -0.060 0.000 1.084 804 T HN 1.613 nan 8.240 nan 0.000 0.538 805 V N -2.300 117.583 119.914 -0.051 0.000 2.876 805 V HA 0.952 5.072 4.120 -0.000 0.000 0.312 805 V C 0.260 176.338 176.094 -0.027 0.000 1.085 805 V CA -0.336 61.945 62.300 -0.032 0.000 0.945 805 V CB 0.837 32.647 31.823 -0.021 0.000 1.017 805 V HN 0.907 nan 8.190 nan 0.000 0.428 806 G N 0.947 109.739 108.800 -0.014 0.000 2.758 806 G HA2 0.450 4.410 3.960 -0.000 0.000 0.686 806 G HA3 0.450 4.410 3.960 -0.000 0.000 0.686 806 G C 0.755 175.649 174.900 -0.011 0.000 1.389 806 G CA 0.185 45.281 45.100 -0.007 0.000 0.845 806 G HN 3.080 nan 8.290 nan 0.000 0.572 807 G N -0.114 108.686 108.800 -0.000 0.000 2.550 807 G HA2 0.182 4.142 3.960 -0.000 0.000 0.277 807 G HA3 0.182 4.142 3.960 -0.000 0.000 0.277 807 G C 1.904 176.807 174.900 0.005 0.000 1.190 807 G CA 1.829 46.930 45.100 0.003 0.000 0.971 807 G HN 2.520 nan 8.290 nan 0.000 0.559 808 G N -0.424 108.377 108.800 0.001 0.000 2.598 808 G HA2 0.231 4.191 3.960 -0.000 0.000 0.215 808 G HA3 0.231 4.191 3.960 -0.000 0.000 0.215 808 G C 1.755 176.651 174.900 -0.006 0.000 1.131 808 G CA 2.188 47.292 45.100 0.007 0.000 0.785 808 G HN 1.918 nan 8.290 nan 0.000 0.539 809 T N -2.400 112.141 114.554 -0.022 0.000 3.148 809 T HA 0.054 4.404 4.350 -0.000 0.000 0.253 809 T C 1.784 176.472 174.700 -0.021 0.000 1.134 809 T CA 0.414 62.497 62.100 -0.028 0.000 1.051 809 T CB -0.126 68.716 68.868 -0.043 0.000 0.959 809 T HN 0.112 nan 8.240 nan 0.000 0.525 810 N N 0.829 119.522 118.700 -0.012 0.000 2.446 810 N HA 0.181 4.921 4.740 -0.000 0.000 0.179 810 N C 0.341 175.838 175.510 -0.022 0.000 1.054 810 N CA 0.186 53.228 53.050 -0.013 0.000 0.905 810 N CB -0.034 38.451 38.487 -0.003 0.000 0.973 810 N HN 0.507 nan 8.380 nan 0.000 0.448 811 L N 1.156 122.369 121.223 -0.017 0.000 2.371 811 L HA 0.184 4.524 4.340 -0.000 0.000 0.272 811 L C 1.817 178.659 176.870 -0.047 0.000 1.124 811 L CA -0.366 54.454 54.840 -0.033 0.000 0.816 811 L CB 1.122 43.186 42.059 0.008 0.000 1.129 811 L HN -0.076 nan 8.230 nan 0.000 0.448 812 L N 2.462 123.635 121.223 -0.084 0.000 2.056 812 L HA -0.092 4.248 4.340 -0.000 0.000 0.207 812 L C -0.401 176.434 176.870 -0.058 0.000 1.078 812 L CA 1.217 56.010 54.840 -0.078 0.000 0.749 812 L CB -1.344 40.648 42.059 -0.111 0.000 0.901 812 L HN 0.591 nan 8.230 nan 0.000 0.433 813 P HA -0.176 nan 4.420 nan 0.000 0.215 813 P C 1.406 178.699 177.300 -0.013 0.000 1.153 813 P CA 1.162 64.246 63.100 -0.027 0.000 0.853 813 P CB 0.083 31.778 31.700 -0.008 0.000 0.788 814 Q N -0.717 119.078 119.800 -0.008 0.000 2.167 814 Q HA -0.109 4.231 4.340 -0.000 0.000 0.202 814 Q C 2.259 178.251 176.000 -0.014 0.000 0.970 814 Q CA 1.312 57.111 55.803 -0.006 0.000 0.855 814 Q CB -0.635 28.100 28.738 -0.004 0.000 0.911 814 Q HN 0.384 nan 8.270 nan 0.000 0.438 815 Q N -0.797 118.990 119.800 -0.020 0.000 2.297 815 Q HA -0.022 4.318 4.340 -0.000 0.000 0.204 815 Q C 1.895 177.886 176.000 -0.015 0.000 0.962 815 Q CA 0.902 56.692 55.803 -0.021 0.000 0.879 815 Q CB -0.045 28.678 28.738 -0.026 0.000 0.947 815 Q HN 0.419 nan 8.270 nan 0.000 0.462 816 A N 0.101 122.912 122.820 -0.015 0.000 1.898 816 A HA -0.186 4.134 4.320 -0.000 0.000 0.216 816 A C 2.229 179.813 177.584 0.000 0.000 1.181 816 A CA 1.206 53.238 52.037 -0.009 0.000 0.620 816 A CB -0.824 18.169 19.000 -0.012 0.000 0.819 816 A HN 0.476 nan 8.150 nan 0.000 0.442 817 C N -0.852 118.449 119.300 0.001 0.000 2.440 817 C HA 0.035 4.494 4.460 -0.000 0.000 0.278 817 C C 2.614 177.609 174.990 0.009 0.000 1.295 817 C CA 0.824 59.847 59.018 0.008 0.000 1.738 817 C CB -1.463 26.282 27.740 0.008 0.000 1.987 817 C HN 0.613 nan 8.230 nan 0.000 0.492 818 L N 0.108 121.330 121.223 -0.001 0.000 2.093 818 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 818 L C 2.731 179.608 176.870 0.012 0.000 1.085 818 L CA 1.415 56.252 54.840 -0.004 0.000 0.755 818 L CB -0.636 41.412 42.059 -0.017 0.000 0.904 818 L HN 0.426 nan 8.230 nan 0.000 0.435 819 Q N -0.722 119.084 119.800 0.011 0.000 2.230 819 Q HA -0.149 4.191 4.340 -0.000 0.000 0.202 819 Q C 2.318 178.337 176.000 0.031 0.000 0.963 819 Q CA 1.147 56.960 55.803 0.017 0.000 0.866 819 Q CB -0.016 28.726 28.738 0.006 0.000 0.931 819 Q HN 0.529 nan 8.270 nan 0.000 0.452 820 M N -0.023 119.598 119.600 0.035 0.000 2.108 820 M HA -0.190 4.290 4.480 -0.000 0.000 0.261 820 M C 1.667 178.023 176.300 0.094 0.000 1.066 820 M CA 1.439 56.769 55.300 0.050 0.000 1.107 820 M CB -0.046 32.581 32.600 0.046 0.000 1.356 820 M HN 0.198 nan 8.290 nan 0.000 0.406 821 L N -0.956 120.332 121.223 0.108 0.000 2.558 821 L HA 0.177 4.517 4.340 -0.000 0.000 0.225 821 L C 1.239 178.234 176.870 0.208 0.000 1.128 821 L CA 0.198 55.155 54.840 0.196 0.000 0.868 821 L CB -0.449 41.658 42.059 0.080 0.000 1.006 821 L HN 0.600 nan 8.230 nan 0.000 0.454 822 G N 0.825 109.694 108.800 0.114 0.000 2.160 822 G HA2 -0.253 3.706 3.960 -0.000 0.000 0.244 822 G HA3 -0.253 3.706 3.960 -0.000 0.000 0.244 822 G C 0.558 175.499 174.900 0.069 0.000 1.022 822 G CA 0.378 45.532 45.100 0.090 0.000 0.741 822 G HN 0.367 nan 8.290 nan 0.000 0.508 823 V N -3.395 116.545 119.914 0.042 0.000 3.252 823 V HA 0.487 4.607 4.120 -0.000 0.000 0.320 823 V C 0.661 176.751 176.094 -0.006 0.000 1.459 823 V CA 0.343 62.651 62.300 0.012 0.000 1.095 823 V CB 0.880 32.696 31.823 -0.011 0.000 0.997 823 V HN 0.403 nan 8.190 nan 0.000 0.469 824 Q N 2.032 121.832 119.800 -0.001 0.000 2.311 824 Q HA 0.474 4.814 4.340 -0.000 0.000 0.272 824 Q C 0.746 176.739 176.000 -0.011 0.000 1.012 824 Q CA 1.822 57.619 55.803 -0.010 0.000 0.891 824 Q CB 0.980 29.714 28.738 -0.006 0.000 1.201 824 Q HN 1.141 nan 8.270 nan 0.000 0.391 825 G N 2.572 111.361 108.800 -0.018 0.000 2.693 825 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.226 825 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.226 825 G C -0.845 174.044 174.900 -0.018 0.000 1.354 825 G CA -0.312 44.780 45.100 -0.014 0.000 0.873 825 G HN 0.998 nan 8.290 nan 0.000 0.562 826 A N -1.190 121.625 122.820 -0.008 0.000 2.309 826 A HA 0.576 4.896 4.320 -0.000 0.000 0.298 826 A C 0.670 178.255 177.584 0.002 0.000 1.165 826 A CA 0.605 52.635 52.037 -0.011 0.000 0.821 826 A CB 0.970 19.979 19.000 0.014 0.000 1.102 826 A HN 2.242 nan 8.150 nan 0.000 0.500 827 C N 3.905 123.200 119.300 -0.008 0.000 2.555 827 C HA 0.258 4.718 4.460 -0.000 0.000 0.385 827 C C 1.559 176.567 174.990 0.030 0.000 1.296 827 C CA -0.379 58.644 59.018 0.007 0.000 1.757 827 C CB -1.262 26.477 27.740 -0.002 0.000 2.445 827 C HN 0.992 nan 8.230 nan 0.000 0.571 828 K N 2.460 122.883 120.400 0.038 0.000 2.031 828 K HA -0.076 4.244 4.320 -0.000 0.000 0.205 828 K C 1.384 178.018 176.600 0.056 0.000 1.049 828 K CA 1.589 57.909 56.287 0.055 0.000 0.939 828 K CB 0.046 32.571 32.500 0.042 0.000 0.717 828 K HN 0.715 nan 8.250 nan 0.000 0.438 829 D N 0.551 120.975 120.400 0.040 0.000 2.183 829 D HA -0.098 4.542 4.640 -0.000 0.000 0.203 829 D C 0.459 176.784 176.300 0.042 0.000 0.969 829 D CA 1.058 55.081 54.000 0.038 0.000 0.842 829 D CB -0.052 40.765 40.800 0.027 0.000 0.957 829 D HN 0.046 nan 8.370 nan 0.000 0.484 830 N N 0.267 118.990 118.700 0.038 0.000 2.727 830 N HA 0.193 4.933 4.740 -0.000 0.000 0.252 830 N C -2.911 172.611 175.510 0.021 0.000 1.283 830 N CA -1.790 51.280 53.050 0.033 0.000 0.782 830 N CB 1.206 39.707 38.487 0.022 0.000 1.199 830 N HN -0.279 nan 8.380 nan 0.000 0.520 831 P HA 0.155 nan 4.420 nan 0.000 0.262 831 P C 0.811 178.050 177.300 -0.102 0.000 1.182 831 P CA 0.901 63.986 63.100 -0.024 0.000 0.761 831 P CB 0.515 32.277 31.700 0.103 0.000 0.795 832 G N 2.770 111.472 108.800 -0.163 0.000 2.176 832 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.253 832 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.253 832 G C 1.067 175.921 174.900 -0.077 0.000 0.979 832 G CA 0.496 45.511 45.100 -0.143 0.000 0.641 832 G HN 0.533 nan 8.290 nan 0.000 0.530 833 E N 1.000 121.170 120.200 -0.050 0.000 2.107 833 E HA 0.011 4.361 4.350 -0.000 0.000 0.191 833 E C 2.223 178.808 176.600 -0.025 0.000 0.982 833 E CA 1.678 58.063 56.400 -0.025 0.000 0.809 833 E CB -0.296 29.401 29.700 -0.005 0.000 0.756 833 E HN 0.443 nan 8.360 nan 0.000 0.459 834 N N 0.288 118.968 118.700 -0.033 0.000 2.142 834 N HA -0.066 4.674 4.740 -0.000 0.000 0.186 834 N C 1.533 177.013 175.510 -0.050 0.000 1.023 834 N CA 1.510 54.542 53.050 -0.031 0.000 0.852 834 N CB -0.517 37.952 38.487 -0.030 0.000 0.998 834 N HN 0.293 nan 8.380 nan 0.000 0.424 835 A N 1.251 124.032 122.820 -0.065 0.000 1.930 835 A HA -0.051 4.269 4.320 -0.000 0.000 0.217 835 A C 2.241 179.788 177.584 -0.060 0.000 1.175 835 A CA 0.952 52.946 52.037 -0.072 0.000 0.627 835 A CB -0.309 18.641 19.000 -0.085 0.000 0.815 835 A HN 0.178 nan 8.150 nan 0.000 0.443 836 R N -1.133 119.336 120.500 -0.052 0.000 2.092 836 R HA -0.153 4.187 4.340 -0.000 0.000 0.231 836 R C 2.456 178.729 176.300 -0.046 0.000 1.119 836 R CA 1.603 57.679 56.100 -0.041 0.000 0.970 836 R CB -0.195 30.087 30.300 -0.031 0.000 0.864 836 R HN 0.631 nan 8.270 nan 0.000 0.440 837 Q N 0.927 120.698 119.800 -0.048 0.000 2.119 837 Q HA -0.124 4.216 4.340 -0.000 0.000 0.201 837 Q C 1.831 177.750 176.000 -0.135 0.000 0.972 837 Q CA 1.220 56.983 55.803 -0.067 0.000 0.847 837 Q CB -0.182 28.541 28.738 -0.025 0.000 0.903 837 Q HN 0.210 nan 8.270 nan 0.000 0.433 838 L N -0.041 121.117 121.223 -0.109 0.000 2.141 838 L HA 0.097 4.437 4.340 -0.000 0.000 0.209 838 L C 2.008 178.823 176.870 -0.092 0.000 1.094 838 L CA 1.960 56.728 54.840 -0.120 0.000 0.763 838 L CB -0.943 41.062 42.059 -0.091 0.000 0.908 838 L HN 0.244 nan 8.230 nan 0.000 0.437 839 A N -0.483 122.300 122.820 -0.061 0.000 1.930 839 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 839 A C 2.402 179.959 177.584 -0.045 0.000 1.175 839 A CA 1.538 53.559 52.037 -0.026 0.000 0.627 839 A CB -0.455 18.536 19.000 -0.015 0.000 0.815 839 A HN 0.471 nan 8.150 nan 0.000 0.443 840 R N -0.592 119.863 120.500 -0.075 0.000 2.092 840 R HA 0.015 4.354 4.340 -0.000 0.000 0.231 840 R C 1.880 178.100 176.300 -0.132 0.000 1.119 840 R CA 1.493 57.543 56.100 -0.083 0.000 0.970 840 R CB -0.425 29.829 30.300 -0.076 0.000 0.864 840 R HN 0.560 nan 8.270 nan 0.000 0.440 841 I N 0.005 120.440 120.570 -0.226 0.000 2.315 841 I HA -0.239 3.931 4.170 -0.000 0.000 0.248 841 I C 2.089 178.122 176.117 -0.140 0.000 1.117 841 I CA 0.965 62.087 61.300 -0.295 0.000 1.404 841 I CB -0.111 37.614 38.000 -0.459 0.000 1.071 841 I HN -0.025 nan 8.210 nan 0.000 0.419 842 V N -0.183 119.684 119.914 -0.078 0.000 2.307 842 V HA -0.336 3.784 4.120 -0.000 0.000 0.245 842 V C 2.537 178.615 176.094 -0.027 0.000 1.045 842 V CA 1.908 64.196 62.300 -0.020 0.000 1.024 842 V CB -0.453 31.402 31.823 0.053 0.000 0.651 842 V HN 0.635 nan 8.190 nan 0.000 0.449 843 C N 0.796 120.080 119.300 -0.027 0.000 2.440 843 C HA -0.037 4.423 4.460 -0.000 0.000 0.278 843 C C 2.935 177.912 174.990 -0.022 0.000 1.295 843 C CA 0.916 59.923 59.018 -0.018 0.000 1.738 843 C CB -1.492 26.240 27.740 -0.014 0.000 1.987 843 C HN 0.646 nan 8.230 nan 0.000 0.492 844 G N -0.644 108.136 108.800 -0.033 0.000 2.408 844 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.217 844 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.217 844 G C 1.769 176.660 174.900 -0.014 0.000 1.150 844 G CA 1.552 46.639 45.100 -0.021 0.000 0.776 844 G HN 0.539 nan 8.290 nan 0.000 0.542 845 T N 0.733 115.271 114.554 -0.026 0.000 2.904 845 T HA -0.040 4.310 4.350 -0.000 0.000 0.267 845 T C 2.517 177.203 174.700 -0.023 0.000 1.059 845 T CA 0.867 62.956 62.100 -0.019 0.000 1.137 845 T CB -0.089 68.762 68.868 -0.028 0.000 0.879 845 T HN 0.050 nan 8.240 nan 0.000 0.467 846 V N 1.715 121.613 119.914 -0.028 0.000 2.343 846 V HA -0.189 3.931 4.120 -0.000 0.000 0.247 846 V C 2.436 178.536 176.094 0.009 0.000 1.051 846 V CA 1.744 64.030 62.300 -0.024 0.000 1.036 846 V CB -0.541 31.270 31.823 -0.019 0.000 0.654 846 V HN 0.484 nan 8.190 nan 0.000 0.451 847 M N -0.300 119.302 119.600 0.003 0.000 2.159 847 M HA -0.158 4.322 4.480 -0.000 0.000 0.263 847 M C 2.125 178.433 176.300 0.013 0.000 1.063 847 M CA 2.065 57.366 55.300 0.002 0.000 1.110 847 M CB -0.256 32.333 32.600 -0.019 0.000 1.374 847 M HN 0.359 nan 8.290 nan 0.000 0.411 848 A N -0.006 122.823 122.820 0.015 0.000 1.902 848 A HA -0.059 4.261 4.320 -0.000 0.000 0.217 848 A C 2.254 179.870 177.584 0.052 0.000 1.181 848 A CA 1.813 53.865 52.037 0.025 0.000 0.623 848 A CB -1.633 17.380 19.000 0.021 0.000 0.818 848 A HN 0.617 nan 8.150 nan 0.000 0.443 849 G N -0.568 108.272 108.800 0.066 0.000 2.422 849 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.218 849 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.218 849 G C 1.397 176.485 174.900 0.313 0.000 1.146 849 G CA 0.965 46.171 45.100 0.177 0.000 0.769 849 G HN 0.478 nan 8.290 nan 0.000 0.547 850 E N 0.466 120.769 120.200 0.172 0.000 2.077 850 E HA -0.045 4.305 4.350 -0.000 0.000 0.193 850 E C 2.696 179.315 176.600 0.031 0.000 0.989 850 E CA 0.429 56.886 56.400 0.094 0.000 0.800 850 E CB -0.404 29.331 29.700 0.058 0.000 0.746 850 E HN 0.425 nan 8.360 nan 0.000 0.452 851 L N 0.576 121.817 121.223 0.029 0.000 2.012 851 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 851 L C 2.732 179.606 176.870 0.008 0.000 1.073 851 L CA 1.353 56.198 54.840 0.009 0.000 0.748 851 L CB -0.413 41.650 42.059 0.007 0.000 0.891 851 L HN 0.099 nan 8.230 nan 0.000 0.431 852 S N -0.319 115.397 115.700 0.027 0.000 2.357 852 S HA -0.150 4.320 4.470 -0.000 0.000 0.221 852 S C 1.856 176.449 174.600 -0.011 0.000 1.031 852 S CA 1.105 59.317 58.200 0.021 0.000 0.982 852 S CB -0.188 63.040 63.200 0.047 0.000 0.853 852 S HN 0.270 nan 8.310 nan 0.000 0.458 853 L N 1.700 122.894 121.223 -0.048 0.000 2.056 853 L HA 0.088 4.428 4.340 -0.000 0.000 0.207 853 L C 2.193 178.986 176.870 -0.130 0.000 1.078 853 L CA 1.846 56.587 54.840 -0.164 0.000 0.749 853 L CB -0.698 41.044 42.059 -0.528 0.000 0.901 853 L HN 0.294 nan 8.230 nan 0.000 0.433 854 M N -0.663 118.877 119.600 -0.101 0.000 2.213 854 M HA -0.094 4.385 4.480 -0.000 0.000 0.263 854 M C 2.355 178.630 176.300 -0.042 0.000 1.062 854 M CA 1.576 56.836 55.300 -0.066 0.000 1.105 854 M CB -1.565 31.010 32.600 -0.043 0.000 1.385 854 M HN 0.451 nan 8.290 nan 0.000 0.417 855 A N 0.112 122.914 122.820 -0.031 0.000 1.930 855 A HA 0.084 4.404 4.320 -0.000 0.000 0.217 855 A C 2.413 179.984 177.584 -0.021 0.000 1.175 855 A CA 1.755 53.781 52.037 -0.019 0.000 0.627 855 A CB -0.724 18.270 19.000 -0.010 0.000 0.815 855 A HN 0.460 nan 8.150 nan 0.000 0.443 856 A N -0.366 122.436 122.820 -0.029 0.000 1.969 856 A HA 0.053 4.373 4.320 -0.000 0.000 0.218 856 A C 2.107 179.673 177.584 -0.031 0.000 1.169 856 A CA 1.332 53.353 52.037 -0.027 0.000 0.635 856 A CB -0.475 18.506 19.000 -0.031 0.000 0.810 856 A HN 0.459 nan 8.150 nan 0.000 0.445 857 L N -1.059 120.139 121.223 -0.041 0.000 2.131 857 L HA -0.078 4.261 4.340 -0.000 0.000 0.206 857 L C 3.007 179.861 176.870 -0.026 0.000 1.087 857 L CA 0.858 55.675 54.840 -0.038 0.000 0.767 857 L CB -0.411 41.618 42.059 -0.051 0.000 0.917 857 L HN 0.406 nan 8.230 nan 0.000 0.441 858 A N -0.001 122.805 122.820 -0.023 0.000 1.929 858 A HA -0.054 4.266 4.320 -0.000 0.000 0.216 858 A C 2.452 180.030 177.584 -0.011 0.000 1.176 858 A CA 1.499 53.528 52.037 -0.015 0.000 0.628 858 A CB -0.518 18.475 19.000 -0.012 0.000 0.816 858 A HN 0.361 nan 8.150 nan 0.000 0.444 859 A N -1.246 121.567 122.820 -0.012 0.000 2.016 859 A HA 0.435 4.755 4.320 -0.000 0.000 0.217 859 A C 1.671 179.249 177.584 -0.009 0.000 1.162 859 A CA 1.432 53.464 52.037 -0.009 0.000 0.662 859 A CB -1.134 17.862 19.000 -0.008 0.000 0.812 859 A HN 2.100 nan 8.150 nan 0.000 0.450 860 G N 0.000 108.793 108.800 -0.012 0.000 5.446 860 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 860 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 860 G CA 0.000 45.093 45.100 -0.012 0.000 0.502 860 G HN 0.000 nan 8.290 nan 0.000 0.925