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 1h4i_1_A DATA FIRST_RESID 1 DATA SEQUENCE NDKLVELSKS DDNWVMPGKN YDSNNFSDLK QINKGNVKQL RPAWTFSTGL DATA SEQUENCE LNGHEGAPLV VDGKMYIHTS FPNNTFALGL DDPGTILWQD KPKQNPAARA DATA SEQUENCE VACCDLVNRG LAYWPGDGKT PALILKTQLD GNVAALNAET GETVWKVENS DATA SEQUENCE DIKVGSTLTI APYVVKDKVI IGSSGAELGV RGYLTAYDVK TGEQVWRAYA DATA SEQUENCE TGPDKDLLLA SDFNIKNPHY GQKGLGTGTW EGDAWKIGGG TNWGWYAYDP DATA SEQUENCE GTNLIYFGTG NPAPWNETMR PGDNKWTMTI FGRDADTGEA KFGYQKTPHD DATA SEQUENCE EWDYAGVNVM MLSEQKDKDG KARKLLTHPD RNGIVYTLDR TDGALVSANK DATA SEQUENCE LDDTVNVFKS VDLKTGQPVR DPEYGTRMDH LAKDIcPSAM GYHNQGHDSY DATA SEQUENCE DPKRELFFMG INHIcMDWEP FMLPYRAGQF FVGATLNMYP GPKGDRQNYE DATA SEQUENCE GLGQIKAYNA ITGDYKWEKM ERFAVWGGTM ATAGDLVFYG TLDGYLKARD DATA SEQUENCE SDTGDLLWKF KIPSGAIGYP MTYTHKGTQY VAIYYGVGGW PGVGLVFDLA DATA SEQUENCE DPTAGLGAVG AFKKLANYTQ MGGGVVVFSL DGKGPYDDPN VGEWK 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 1 N HA 0.000 nan 4.740 nan 0.000 0.220 1 N C 0.000 175.666 175.510 0.260 0.000 1.280 1 N CA 0.000 53.191 53.050 0.234 0.000 0.885 1 N CB 0.000 38.629 38.487 0.236 0.000 1.341 2 D N 1.793 122.297 120.400 0.174 0.000 2.178 2 D HA -0.029 4.611 4.640 -0.001 0.000 0.202 2 D C 1.415 177.780 176.300 0.108 0.000 0.974 2 D CA 1.311 55.398 54.000 0.145 0.000 0.841 2 D CB 0.503 41.365 40.800 0.103 0.000 0.953 2 D HN 0.484 nan 8.370 nan 0.000 0.478 3 K N -0.073 120.366 120.400 0.066 0.000 2.025 3 K HA -0.026 4.294 4.320 -0.001 0.000 0.207 3 K C 1.939 178.566 176.600 0.045 0.000 1.049 3 K CA 0.645 56.945 56.287 0.021 0.000 0.933 3 K CB -0.016 32.445 32.500 -0.066 0.000 0.714 3 K HN 0.106 nan 8.250 nan 0.000 0.438 4 L N 0.175 121.438 121.223 0.067 0.000 2.046 4 L HA -0.205 4.134 4.340 -0.001 0.000 0.208 4 L C 2.186 179.078 176.870 0.035 0.000 1.077 4 L CA 0.895 55.764 54.840 0.048 0.000 0.747 4 L CB -0.454 41.619 42.059 0.025 0.000 0.896 4 L HN 0.034 nan 8.230 nan 0.000 0.432 5 V N -0.473 119.522 119.914 0.135 0.000 2.287 5 V HA -0.273 3.847 4.120 -0.001 0.000 0.248 5 V C 2.580 178.723 176.094 0.083 0.000 1.053 5 V CA 1.709 64.097 62.300 0.147 0.000 1.027 5 V CB -0.472 31.489 31.823 0.230 0.000 0.646 5 V HN 0.425 nan 8.190 nan 0.000 0.447 6 E N 0.001 120.246 120.200 0.075 0.000 2.051 6 E HA -0.143 4.206 4.350 -0.001 0.000 0.192 6 E C 2.254 178.878 176.600 0.041 0.000 0.991 6 E CA 1.142 57.575 56.400 0.055 0.000 0.799 6 E CB -0.402 29.327 29.700 0.049 0.000 0.748 6 E HN 0.518 nan 8.360 nan 0.000 0.449 7 L N 1.314 122.559 121.223 0.037 0.000 2.042 7 L HA -0.206 4.134 4.340 -0.001 0.000 0.210 7 L C 2.533 179.409 176.870 0.010 0.000 1.076 7 L CA 1.596 56.455 54.840 0.031 0.000 0.749 7 L CB -0.611 41.477 42.059 0.047 0.000 0.893 7 L HN 0.147 nan 8.230 nan 0.000 0.432 8 S N -1.055 114.636 115.700 -0.015 0.000 2.500 8 S HA -0.156 4.314 4.470 -0.001 0.000 0.239 8 S C 1.863 176.451 174.600 -0.019 0.000 0.989 8 S CA 0.750 58.918 58.200 -0.053 0.000 0.951 8 S CB -0.169 62.969 63.200 -0.103 0.000 0.759 8 S HN 0.216 nan 8.310 nan 0.000 0.523 9 K N 1.542 121.952 120.400 0.016 0.000 2.404 9 K HA 0.292 4.612 4.320 -0.001 0.000 0.194 9 K C 0.287 176.909 176.600 0.037 0.000 1.023 9 K CA -0.007 56.300 56.287 0.032 0.000 1.094 9 K CB 0.077 32.603 32.500 0.044 0.000 0.841 9 K HN 0.403 nan 8.250 nan 0.000 0.523 10 S N 1.256 116.978 115.700 0.037 0.000 2.499 10 S HA 0.144 4.614 4.470 -0.001 0.000 0.279 10 S C 0.409 175.050 174.600 0.069 0.000 1.219 10 S CA -0.545 57.685 58.200 0.051 0.000 1.062 10 S CB 0.832 64.064 63.200 0.052 0.000 0.978 10 S HN 0.093 nan 8.310 nan 0.000 0.489 11 D N 3.086 123.533 120.400 0.078 0.000 2.363 11 D HA -0.014 4.626 4.640 -0.001 0.000 0.220 11 D C 0.341 176.745 176.300 0.173 0.000 0.994 11 D CA 0.556 54.621 54.000 0.109 0.000 0.890 11 D CB 0.141 40.987 40.800 0.077 0.000 0.906 11 D HN 0.574 nan 8.370 nan 0.000 0.530 12 D N 0.032 120.526 120.400 0.157 0.000 2.355 12 D HA 0.037 4.676 4.640 -0.001 0.000 0.218 12 D C 0.373 176.797 176.300 0.206 0.000 1.004 12 D CA 0.425 54.550 54.000 0.208 0.000 0.880 12 D CB 0.370 41.258 40.800 0.146 0.000 0.911 12 D HN 0.171 nan 8.370 nan 0.000 0.528 13 N N -0.334 118.466 118.700 0.165 0.000 2.381 13 N HA 0.220 4.960 4.740 -0.001 0.000 0.294 13 N C -1.036 174.605 175.510 0.218 0.000 1.216 13 N CA -0.535 52.594 53.050 0.131 0.000 0.803 13 N CB 2.113 40.631 38.487 0.052 0.000 1.372 13 N HN 0.025 nan 8.380 nan 0.000 0.500 14 W N 2.354 123.648 121.300 -0.010 0.000 2.409 14 W HA 0.214 4.874 4.660 -0.000 0.000 0.285 14 W C -0.070 176.443 176.519 -0.011 0.000 1.030 14 W CA -0.603 56.754 57.345 0.019 0.000 1.330 14 W CB 0.361 29.842 29.460 0.034 0.000 1.236 14 W HN 0.343 nan 8.180 nan 0.000 0.341 15 V N 1.992 121.929 119.914 0.038 0.000 3.541 15 V HA 0.262 4.382 4.120 -0.001 0.000 0.267 15 V C 0.401 176.548 176.094 0.088 0.000 1.213 15 V CA 0.979 63.299 62.300 0.033 0.000 1.149 15 V CB -0.207 31.617 31.823 0.002 0.000 0.822 15 V HN 0.342 nan 8.190 nan 0.000 0.462 16 M N -0.761 118.890 119.600 0.086 0.000 2.682 16 M HA 0.517 4.996 4.480 -0.001 0.000 0.272 16 M C -3.214 173.271 176.300 0.308 0.000 1.232 16 M CA -1.729 53.661 55.300 0.150 0.000 0.849 16 M CB 1.723 34.296 32.600 -0.045 0.000 1.695 16 M HN -0.191 nan 8.290 nan 0.000 0.481 17 P HA 0.274 nan 4.420 nan 0.000 0.263 17 P C 0.820 178.342 177.300 0.369 0.000 1.195 17 P CA 1.320 64.783 63.100 0.605 0.000 0.762 17 P CB 0.311 32.504 31.700 0.822 0.000 0.799 18 G N 2.107 110.936 108.800 0.049 0.000 2.176 18 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.253 18 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.253 18 G C 0.994 175.777 174.900 -0.195 0.000 0.979 18 G CA 0.456 45.367 45.100 -0.316 0.000 0.641 18 G HN 0.582 nan 8.290 nan 0.000 0.530 19 K N -1.401 118.753 120.400 -0.410 0.000 7.539 19 K HA -0.255 4.065 4.320 -0.001 0.000 0.483 19 K C 0.705 177.023 176.600 -0.469 0.000 0.357 19 K CA 2.755 58.467 56.287 -0.959 0.000 1.966 19 K CB -1.706 30.243 32.500 -0.918 0.000 0.628 19 K HN 1.214 nan 8.250 nan 0.000 0.851 20 N N -1.774 116.799 118.700 -0.212 0.000 2.761 20 N HA 0.358 5.098 4.740 -0.001 0.000 0.283 20 N C 0.747 176.294 175.510 0.061 0.000 1.377 20 N CA -0.426 52.555 53.050 -0.115 0.000 0.791 20 N CB -0.389 38.084 38.487 -0.023 0.000 1.540 20 N HN 0.094 nan 8.380 nan 0.000 0.539 21 Y N -0.841 119.591 120.300 0.221 0.000 2.352 21 Y HA -0.075 4.475 4.550 -0.001 0.000 0.292 21 Y C 0.932 177.038 175.900 0.343 0.000 1.136 21 Y CA 0.701 59.016 58.100 0.358 0.000 1.227 21 Y CB 0.084 38.783 38.460 0.398 0.000 0.991 21 Y HN 0.514 nan 8.280 nan 0.000 0.545 22 D N -0.619 120.005 120.400 0.373 0.000 2.219 22 D HA -0.123 4.517 4.640 -0.001 0.000 0.205 22 D C 0.971 177.443 176.300 0.286 0.000 0.970 22 D CA 1.221 55.389 54.000 0.280 0.000 0.851 22 D CB -0.165 40.757 40.800 0.204 0.000 0.943 22 D HN 0.008 nan 8.370 nan 0.000 0.488 23 S N -0.523 115.361 115.700 0.306 0.000 3.812 23 S HA -0.173 4.297 4.470 -0.001 0.000 0.341 23 S C 1.047 175.852 174.600 0.341 0.000 1.057 23 S CA 0.219 58.624 58.200 0.343 0.000 1.015 23 S CB -1.312 62.129 63.200 0.401 0.000 0.893 23 S HN 0.254 nan 8.310 nan 0.000 0.476 24 N N 1.760 120.622 118.700 0.269 0.000 2.142 24 N HA 0.002 4.741 4.740 -0.001 0.000 0.186 24 N C 0.870 176.589 175.510 0.349 0.000 1.023 24 N CA 1.157 54.395 53.050 0.314 0.000 0.852 24 N CB -0.369 38.295 38.487 0.295 0.000 0.998 24 N HN 0.664 nan 8.380 nan 0.000 0.424 25 N N -1.087 117.753 118.700 0.234 0.000 2.735 25 N HA -0.234 4.505 4.740 -0.001 0.000 0.248 25 N C -1.253 174.492 175.510 0.393 0.000 1.083 25 N CA 0.437 53.662 53.050 0.291 0.000 0.703 25 N CB -1.556 37.122 38.487 0.319 0.000 1.005 25 N HN 0.252 nan 8.380 nan 0.000 0.550 26 F N 0.084 120.130 119.950 0.160 0.000 2.482 26 F HA 0.611 5.138 4.527 -0.000 0.000 0.331 26 F C 0.133 176.006 175.800 0.123 0.000 1.115 26 F CA -0.782 57.316 58.000 0.163 0.000 0.955 26 F CB 1.665 40.739 39.000 0.123 0.000 1.136 26 F HN -0.086 nan 8.300 nan 0.000 0.452 27 S N 3.798 119.110 115.700 -0.647 0.000 2.503 27 S HA 0.309 4.779 4.470 -0.001 0.000 0.301 27 S C 0.160 174.400 174.600 -0.600 0.000 1.087 27 S CA -0.703 57.268 58.200 -0.382 0.000 1.042 27 S CB 1.040 64.165 63.200 -0.125 0.000 1.043 27 S HN 0.761 nan 8.310 nan 0.000 0.489 28 D N 2.629 122.909 120.400 -0.201 0.000 2.348 28 D HA 0.103 4.743 4.640 -0.001 0.000 0.211 28 D C 0.353 176.615 176.300 -0.064 0.000 0.998 28 D CA 0.314 54.273 54.000 -0.068 0.000 0.873 28 D CB 0.137 40.976 40.800 0.065 0.000 0.925 28 D HN 0.474 nan 8.370 nan 0.000 0.524 29 L N 1.562 122.738 121.223 -0.078 0.000 2.525 29 L HA -0.019 4.321 4.340 -0.001 0.000 0.278 29 L C 1.415 178.247 176.870 -0.063 0.000 1.218 29 L CA 0.654 55.461 54.840 -0.055 0.000 0.878 29 L CB 0.451 42.479 42.059 -0.052 0.000 1.127 29 L HN -0.052 nan 8.230 nan 0.000 0.492 30 K N 2.753 123.126 120.400 -0.045 0.000 2.706 30 K HA 0.084 4.403 4.320 -0.001 0.000 0.203 30 K C 0.767 177.340 176.600 -0.046 0.000 1.102 30 K CA -0.310 55.955 56.287 -0.037 0.000 1.058 30 K CB 0.462 32.953 32.500 -0.015 0.000 0.779 30 K HN 0.564 nan 8.250 nan 0.000 0.483 31 Q N 1.316 121.078 119.800 -0.065 0.000 2.050 31 Q HA 0.013 4.353 4.340 -0.001 0.000 0.202 31 Q C 0.207 176.156 176.000 -0.085 0.000 0.980 31 Q CA 1.072 56.827 55.803 -0.080 0.000 0.840 31 Q CB 0.128 28.800 28.738 -0.110 0.000 0.898 31 Q HN 0.450 nan 8.270 nan 0.000 0.424 32 I N 2.454 122.969 120.570 -0.091 0.000 2.312 32 I HA 0.154 4.323 4.170 -0.001 0.000 0.291 32 I C -0.635 175.455 176.117 -0.046 0.000 1.031 32 I CA -0.615 60.633 61.300 -0.086 0.000 1.293 32 I CB 0.735 38.677 38.000 -0.097 0.000 1.403 32 I HN 0.313 nan 8.210 nan 0.000 0.484 33 N N 4.565 123.230 118.700 -0.059 0.000 2.831 33 N HA 0.335 5.074 4.740 -0.001 0.000 0.276 33 N C 0.316 175.781 175.510 -0.075 0.000 1.416 33 N CA -1.157 51.862 53.050 -0.051 0.000 0.799 33 N CB 0.691 39.156 38.487 -0.038 0.000 1.554 33 N HN 0.397 nan 8.380 nan 0.000 0.541 34 K N -1.562 118.795 120.400 -0.072 0.000 2.281 34 K HA -0.048 4.272 4.320 -0.001 0.000 0.203 34 K C 1.275 177.836 176.600 -0.065 0.000 1.046 34 K CA 1.483 57.720 56.287 -0.082 0.000 0.938 34 K CB -0.548 31.906 32.500 -0.077 0.000 0.737 34 K HN 0.617 nan 8.250 nan 0.000 0.458 35 G N 1.869 110.638 108.800 -0.052 0.000 2.572 35 G HA2 -0.186 3.773 3.960 -0.001 0.000 0.216 35 G HA3 -0.186 3.773 3.960 -0.001 0.000 0.216 35 G C 0.898 175.771 174.900 -0.045 0.000 1.133 35 G CA 0.492 45.568 45.100 -0.041 0.000 0.791 35 G HN 0.610 nan 8.290 nan 0.000 0.538 36 N N -0.565 118.096 118.700 -0.064 0.000 2.167 36 N HA 0.007 4.747 4.740 -0.001 0.000 0.234 36 N C 1.411 176.849 175.510 -0.121 0.000 1.312 36 N CA 0.519 53.526 53.050 -0.072 0.000 0.861 36 N CB -0.091 38.356 38.487 -0.066 0.000 1.217 36 N HN 0.062 nan 8.380 nan 0.000 0.504 37 V N 0.227 120.044 119.914 -0.161 0.000 2.469 37 V HA -0.282 3.837 4.120 -0.001 0.000 0.251 37 V C 1.842 177.704 176.094 -0.387 0.000 1.064 37 V CA 1.935 64.042 62.300 -0.323 0.000 1.066 37 V CB -1.087 30.531 31.823 -0.341 0.000 0.667 37 V HN 0.222 nan 8.190 nan 0.000 0.461 38 K N 1.365 121.706 120.400 -0.098 0.000 2.362 38 K HA -0.206 4.114 4.320 -0.001 0.000 0.202 38 K C 1.804 178.473 176.600 0.115 0.000 1.045 38 K CA 1.398 57.755 56.287 0.116 0.000 0.936 38 K CB -0.664 31.909 32.500 0.121 0.000 0.747 38 K HN 0.571 nan 8.250 nan 0.000 0.467 39 Q N 0.238 120.031 119.800 -0.011 0.000 2.360 39 Q HA 0.204 4.543 4.340 -0.001 0.000 0.202 39 Q C -0.254 175.750 176.000 0.007 0.000 0.915 39 Q CA -0.147 55.670 55.803 0.024 0.000 0.943 39 Q CB 0.287 29.019 28.738 -0.009 0.000 1.064 39 Q HN 0.274 nan 8.270 nan 0.000 0.511 40 L N 1.786 122.932 121.223 -0.128 0.000 2.462 40 L HA 0.158 4.498 4.340 -0.001 0.000 0.272 40 L C -0.201 176.838 176.870 0.281 0.000 1.166 40 L CA 0.333 55.085 54.840 -0.147 0.000 0.880 40 L CB 0.373 41.933 42.059 -0.831 0.000 1.142 40 L HN 0.084 nan 8.230 nan 0.000 0.473 41 R N 4.230 124.880 120.500 0.250 0.000 2.774 41 R HA 0.480 4.820 4.340 -0.001 0.000 0.272 41 R C -2.631 173.659 176.300 -0.017 0.000 1.000 41 R CA -1.757 54.468 56.100 0.208 0.000 0.906 41 R CB 1.880 32.260 30.300 0.133 0.000 1.227 41 R HN 0.220 nan 8.270 nan 0.000 0.468 42 P HA 0.102 nan 4.420 nan 0.000 0.268 42 P C -0.711 176.447 177.300 -0.237 0.000 1.205 42 P CA 0.302 62.998 63.100 -0.675 0.000 0.771 42 P CB 1.134 32.377 31.700 -0.761 0.000 0.858 43 A N 3.803 126.519 122.820 -0.173 0.000 2.035 43 A HA 0.267 4.587 4.320 -0.001 0.000 0.208 43 A C -0.117 177.616 177.584 0.247 0.000 1.206 43 A CA 0.476 52.566 52.037 0.088 0.000 0.773 43 A CB 0.023 19.178 19.000 0.258 0.000 0.878 43 A HN 0.707 nan 8.150 nan 0.000 0.469 44 W N -1.712 119.544 121.300 -0.074 0.000 3.064 44 W HA 0.497 5.157 4.660 -0.001 0.000 0.328 44 W C -1.284 175.205 176.519 -0.049 0.000 1.210 44 W CA -0.037 57.295 57.345 -0.022 0.000 1.178 44 W CB -0.137 29.348 29.460 0.043 0.000 1.416 44 W HN 0.319 nan 8.180 nan 0.000 0.568 45 T N -0.561 114.213 114.554 0.367 0.000 2.865 45 T HA 0.829 5.178 4.350 -0.001 0.000 0.294 45 T C -1.758 173.215 174.700 0.455 0.000 1.119 45 T CA -0.624 61.612 62.100 0.226 0.000 1.007 45 T CB 3.082 72.013 68.868 0.106 0.000 1.225 45 T HN 0.882 nan 8.240 nan 0.000 0.515 46 F N 0.691 120.739 119.950 0.163 0.000 2.651 46 F HA 0.625 5.152 4.527 -0.000 0.000 0.329 46 F C -0.728 175.061 175.800 -0.019 0.000 1.186 46 F CA -0.476 57.580 58.000 0.094 0.000 1.046 46 F CB 1.973 41.060 39.000 0.145 0.000 1.296 46 F HN 0.816 nan 8.300 nan 0.000 0.497 47 S N 2.662 117.945 115.700 -0.694 0.000 2.525 47 S HA 0.342 4.811 4.470 -0.001 0.000 0.278 47 S C 1.057 175.028 174.600 -1.049 0.000 1.234 47 S CA 0.195 58.031 58.200 -0.608 0.000 1.058 47 S CB 1.191 64.179 63.200 -0.353 0.000 0.983 47 S HN 0.844 nan 8.310 nan 0.000 0.495 48 T N 1.495 115.704 114.554 -0.576 0.000 3.067 48 T HA 0.244 4.594 4.350 -0.001 0.000 0.261 48 T C 1.489 176.064 174.700 -0.207 0.000 1.110 48 T CA 0.717 62.621 62.100 -0.327 0.000 1.113 48 T CB -0.491 68.420 68.868 0.073 0.000 0.917 48 T HN 1.556 nan 8.240 nan 0.000 0.499 49 G N 0.950 109.615 108.800 -0.224 0.000 2.143 49 G HA2 -0.178 3.782 3.960 -0.001 0.000 0.249 49 G HA3 -0.178 3.782 3.960 -0.001 0.000 0.249 49 G C -0.164 174.726 174.900 -0.018 0.000 0.981 49 G CA 0.283 45.317 45.100 -0.111 0.000 0.665 49 G HN 0.633 nan 8.290 nan 0.000 0.528 50 L N -0.790 120.442 121.223 0.015 0.000 2.350 50 L HA 0.750 5.090 4.340 -0.001 0.000 0.260 50 L C 0.766 177.689 176.870 0.087 0.000 1.015 50 L CA -1.260 53.627 54.840 0.079 0.000 0.821 50 L CB 1.915 44.056 42.059 0.137 0.000 1.370 50 L HN 0.035 nan 8.230 nan 0.000 0.416 51 L N 0.046 121.318 121.223 0.082 0.000 2.793 51 L HA 0.590 4.930 4.340 -0.001 0.000 0.242 51 L C -0.226 176.712 176.870 0.113 0.000 1.315 51 L CA -0.850 54.022 54.840 0.053 0.000 1.263 51 L CB 0.558 42.616 42.059 -0.003 0.000 2.076 51 L HN 0.710 nan 8.230 nan 0.000 0.575 52 N N -0.846 117.876 118.700 0.038 0.000 5.488 52 N HA -0.141 4.599 4.740 -0.001 0.000 0.373 52 N C -0.392 175.202 175.510 0.140 0.000 1.258 52 N CA 0.770 53.837 53.050 0.029 0.000 2.561 52 N CB -0.483 38.024 38.487 0.033 0.000 0.565 52 N HN 0.854 nan 8.380 nan 0.000 0.714 53 G N 0.461 109.315 108.800 0.091 0.000 2.305 53 G HA2 0.092 4.051 3.960 -0.001 0.000 0.243 53 G HA3 0.092 4.051 3.960 -0.001 0.000 0.243 53 G C -0.220 174.738 174.900 0.096 0.000 1.288 53 G CA 0.100 45.282 45.100 0.136 0.000 0.901 53 G HN 0.537 nan 8.290 nan 0.000 0.516 54 H N 2.831 121.909 119.070 0.013 0.000 2.680 54 H HA 0.192 4.747 4.556 -0.001 0.000 0.260 54 H C 0.168 175.571 175.328 0.125 0.000 1.328 54 H CA -0.211 55.780 56.048 -0.094 0.000 1.269 54 H CB 0.905 30.478 29.762 -0.317 0.000 1.446 54 H HN 0.614 nan 8.280 nan 0.000 0.527 55 E N 0.942 121.298 120.200 0.260 0.000 2.292 55 E HA 0.424 4.774 4.350 -0.001 0.000 0.258 55 E C 0.772 177.771 176.600 0.665 0.000 1.115 55 E CA -0.221 56.468 56.400 0.481 0.000 0.929 55 E CB 1.444 31.434 29.700 0.482 0.000 1.161 55 E HN 0.745 nan 8.360 nan 0.000 0.453 56 G N -0.067 109.154 108.800 0.702 0.000 2.553 56 G HA2 0.047 4.006 3.960 -0.001 0.000 0.242 56 G HA3 0.047 4.006 3.960 -0.001 0.000 0.242 56 G C -0.746 174.239 174.900 0.143 0.000 1.277 56 G CA -0.383 45.120 45.100 0.672 0.000 0.910 56 G HN 0.957 nan 8.290 nan 0.000 0.576 57 A N -0.328 122.478 122.820 -0.024 0.000 2.610 57 A HA 0.912 5.232 4.320 -0.001 0.000 0.291 57 A C -2.906 174.507 177.584 -0.286 0.000 1.086 57 A CA -0.000 51.644 52.037 -0.654 0.000 0.677 57 A CB 1.747 20.035 19.000 -1.187 0.000 1.278 57 A HN 1.075 nan 8.150 nan 0.000 0.414 58 P HA 0.537 nan 4.420 nan 0.000 0.276 58 P C -0.922 176.321 177.300 -0.095 0.000 1.252 58 P CA -0.205 62.823 63.100 -0.121 0.000 0.802 58 P CB 0.754 32.331 31.700 -0.204 0.000 1.035 59 L N 0.659 121.932 121.223 0.084 0.000 2.325 59 L HA 0.519 4.859 4.340 -0.001 0.000 0.278 59 L C -0.115 176.795 176.870 0.066 0.000 1.023 59 L CA -1.147 53.781 54.840 0.146 0.000 0.811 59 L CB 1.912 44.092 42.059 0.201 0.000 1.249 59 L HN 0.070 nan 8.230 nan 0.000 0.431 60 V N 3.467 123.388 119.914 0.013 0.000 2.407 60 V HA 0.539 4.658 4.120 -0.001 0.000 0.291 60 V C -0.511 175.556 176.094 -0.046 0.000 1.018 60 V CA -0.484 61.736 62.300 -0.133 0.000 0.842 60 V CB 2.129 33.683 31.823 -0.448 0.000 0.996 60 V HN 0.461 nan 8.190 nan 0.000 0.426 61 V N 3.096 122.992 119.914 -0.030 0.000 2.711 61 V HA 0.487 4.606 4.120 -0.001 0.000 0.304 61 V C -0.084 175.997 176.094 -0.021 0.000 1.097 61 V CA -0.682 61.550 62.300 -0.112 0.000 0.906 61 V CB 1.661 33.178 31.823 -0.510 0.000 1.015 61 V HN 0.920 nan 8.190 nan 0.000 0.427 62 D N 3.633 124.032 120.400 -0.001 0.000 2.746 62 D HA -0.111 4.529 4.640 -0.001 0.000 0.236 62 D C 1.181 177.509 176.300 0.047 0.000 1.129 62 D CA 2.145 56.170 54.000 0.043 0.000 0.691 62 D CB -1.048 39.794 40.800 0.071 0.000 1.077 62 D HN 1.950 nan 8.370 nan 0.000 0.432 63 G N -0.247 108.585 108.800 0.052 0.000 2.153 63 G HA2 -0.348 3.612 3.960 -0.001 0.000 0.252 63 G HA3 -0.348 3.612 3.960 -0.001 0.000 0.252 63 G C 0.256 175.104 174.900 -0.087 0.000 0.994 63 G CA 0.816 45.956 45.100 0.065 0.000 0.698 63 G HN 0.621 nan 8.290 nan 0.000 0.521 64 K N -0.763 119.545 120.400 -0.153 0.000 2.375 64 K HA 0.705 5.025 4.320 -0.001 0.000 0.249 64 K C -0.243 176.089 176.600 -0.447 0.000 0.942 64 K CA -0.896 55.182 56.287 -0.348 0.000 0.806 64 K CB 2.118 34.360 32.500 -0.431 0.000 1.227 64 K HN 0.178 nan 8.250 nan 0.000 0.430 65 M N 2.703 121.977 119.600 -0.544 0.000 2.364 65 M HA 0.386 4.866 4.480 -0.001 0.000 0.334 65 M C -1.737 174.214 176.300 -0.582 0.000 1.107 65 M CA -0.633 54.409 55.300 -0.430 0.000 0.988 65 M CB 0.898 33.327 32.600 -0.285 0.000 1.673 65 M HN 0.559 nan 8.290 nan 0.000 0.441 66 Y N 4.908 125.125 120.300 -0.138 0.000 2.335 66 Y HA 0.560 5.110 4.550 -0.000 0.000 0.338 66 Y C -0.703 175.213 175.900 0.027 0.000 0.977 66 Y CA -0.510 57.532 58.100 -0.095 0.000 1.114 66 Y CB 1.264 39.711 38.460 -0.022 0.000 1.182 66 Y HN 0.551 nan 8.280 nan 0.000 0.463 67 I N 4.515 125.184 120.570 0.165 0.000 2.530 67 I HA 0.301 4.471 4.170 -0.001 0.000 0.297 67 I C -0.347 175.986 176.117 0.359 0.000 1.011 67 I CA -0.579 60.903 61.300 0.304 0.000 1.107 67 I CB 1.241 39.370 38.000 0.216 0.000 1.285 67 I HN 0.628 nan 8.210 nan 0.000 0.436 68 H N 2.896 122.124 119.070 0.265 0.000 2.731 68 H HA 0.797 5.353 4.556 -0.000 0.000 0.368 68 H C -1.038 174.288 175.328 -0.002 0.000 1.168 68 H CA -0.712 55.420 56.048 0.141 0.000 1.181 68 H CB 1.771 31.628 29.762 0.158 0.000 1.743 68 H HN 0.590 nan 8.280 nan 0.000 0.547 69 T N -1.067 113.419 114.554 -0.113 0.000 2.724 69 T HA 0.477 4.827 4.350 -0.001 0.000 0.274 69 T C 0.226 174.748 174.700 -0.296 0.000 0.984 69 T CA -0.429 61.469 62.100 -0.337 0.000 1.024 69 T CB 0.846 69.686 68.868 -0.046 0.000 1.320 69 T HN 0.800 nan 8.240 nan 0.000 0.555 70 S N -0.039 115.409 115.700 -0.420 0.000 2.661 70 S HA 0.500 4.969 4.470 -0.001 0.000 0.265 70 S C -0.015 174.607 174.600 0.037 0.000 1.225 70 S CA -0.936 57.177 58.200 -0.145 0.000 0.986 70 S CB -0.334 62.786 63.200 -0.133 0.000 1.008 70 S HN 0.711 nan 8.310 nan 0.000 0.565 71 F N 3.195 123.138 119.950 -0.012 0.000 2.629 71 F HA 0.189 4.716 4.527 -0.001 0.000 0.369 71 F C -1.267 174.545 175.800 0.021 0.000 1.125 71 F CA -1.505 56.506 58.000 0.018 0.000 1.330 71 F CB 0.527 39.551 39.000 0.039 0.000 1.071 71 F HN 0.385 nan 8.300 nan 0.000 0.595 72 P HA -0.069 nan 4.420 nan 0.000 0.259 72 P C -1.059 176.033 177.300 -0.347 0.000 1.480 72 P CA 0.247 62.758 63.100 -0.981 0.000 0.842 72 P CB -0.281 30.907 31.700 -0.854 0.000 1.513 73 N N 0.197 118.815 118.700 -0.137 0.000 2.648 73 N HA -0.108 4.632 4.740 -0.001 0.000 0.265 73 N C -0.505 174.967 175.510 -0.063 0.000 1.100 73 N CA 0.769 53.799 53.050 -0.033 0.000 0.715 73 N CB -1.718 36.785 38.487 0.028 0.000 0.881 73 N HN 0.379 nan 8.380 nan 0.000 0.548 74 N N 0.670 119.316 118.700 -0.091 0.000 2.493 74 N HA 0.432 5.171 4.740 -0.001 0.000 0.275 74 N C 0.268 175.634 175.510 -0.240 0.000 1.186 74 N CA 0.251 53.174 53.050 -0.212 0.000 0.978 74 N CB 0.891 39.200 38.487 -0.298 0.000 1.184 74 N HN 0.136 nan 8.380 nan 0.000 0.487 75 T N 0.986 115.310 114.554 -0.382 0.000 2.886 75 T HA 0.602 4.952 4.350 -0.001 0.000 0.292 75 T C -0.840 173.521 174.700 -0.565 0.000 1.012 75 T CA -0.389 61.576 62.100 -0.225 0.000 0.982 75 T CB 0.467 69.403 68.868 0.113 0.000 1.018 75 T HN 0.199 nan 8.240 nan 0.000 0.451 76 F N 1.048 120.915 119.950 -0.138 0.000 2.563 76 F HA 0.755 5.282 4.527 -0.001 0.000 0.316 76 F C 0.143 175.541 175.800 -0.669 0.000 1.076 76 F CA -1.124 56.664 58.000 -0.352 0.000 0.921 76 F CB 1.806 40.674 39.000 -0.221 0.000 1.209 76 F HN 0.659 nan 8.300 nan 0.000 0.462 77 A N 3.732 126.059 122.820 -0.821 0.000 2.330 77 A HA 0.884 5.204 4.320 -0.001 0.000 0.313 77 A C -1.372 175.809 177.584 -0.671 0.000 1.124 77 A CA -0.581 50.847 52.037 -1.015 0.000 0.774 77 A CB 0.782 18.838 19.000 -1.574 0.000 1.198 77 A HN 0.767 nan 8.150 nan 0.000 0.465 78 L N 2.272 123.128 121.223 -0.612 0.000 2.365 78 L HA 0.655 4.995 4.340 -0.001 0.000 0.273 78 L C 0.720 177.328 176.870 -0.437 0.000 1.000 78 L CA -0.920 53.635 54.840 -0.475 0.000 0.819 78 L CB 2.217 43.980 42.059 -0.494 0.000 1.284 78 L HN 0.803 nan 8.230 nan 0.000 0.418 79 G N 1.708 110.300 108.800 -0.346 0.000 2.355 79 G HA2 0.348 4.307 3.960 -0.001 0.000 0.276 79 G HA3 0.348 4.307 3.960 -0.001 0.000 0.276 79 G C 0.672 175.346 174.900 -0.375 0.000 1.198 79 G CA -0.487 44.438 45.100 -0.291 0.000 0.876 79 G HN 0.483 nan 8.290 nan 0.000 0.478 80 L N 1.923 122.903 121.223 -0.404 0.000 2.349 80 L HA -0.040 4.299 4.340 -0.001 0.000 0.220 80 L C 2.069 178.568 176.870 -0.619 0.000 1.130 80 L CA 1.238 55.710 54.840 -0.613 0.000 0.791 80 L CB -0.162 41.367 42.059 -0.884 0.000 0.918 80 L HN 0.472 nan 8.230 nan 0.000 0.444 81 D N -1.258 118.944 120.400 -0.331 0.000 2.323 81 D HA -0.040 4.600 4.640 -0.001 0.000 0.209 81 D C 0.306 176.410 176.300 -0.326 0.000 0.973 81 D CA 0.665 54.551 54.000 -0.190 0.000 0.874 81 D CB 0.388 41.172 40.800 -0.026 0.000 0.930 81 D HN 0.227 nan 8.370 nan 0.000 0.521 82 D N -1.020 119.166 120.400 -0.357 0.000 2.934 82 D HA 0.126 4.765 4.640 -0.001 0.000 0.249 82 D C -2.201 173.914 176.300 -0.308 0.000 1.293 82 D CA -1.387 52.439 54.000 -0.290 0.000 0.812 82 D CB 1.129 41.865 40.800 -0.106 0.000 1.439 82 D HN -0.202 nan 8.370 nan 0.000 0.555 83 P HA 0.014 nan 4.420 nan 0.000 0.221 83 P C 1.503 178.600 177.300 -0.337 0.000 1.145 83 P CA 0.849 63.523 63.100 -0.710 0.000 0.795 83 P CB 0.309 31.010 31.700 -1.664 0.000 0.775 84 G N -1.092 107.658 108.800 -0.083 0.000 2.448 84 G HA2 -0.127 3.832 3.960 -0.001 0.000 0.219 84 G HA3 -0.127 3.832 3.960 -0.001 0.000 0.219 84 G C 0.491 175.375 174.900 -0.027 0.000 1.127 84 G CA 0.637 45.726 45.100 -0.019 0.000 0.766 84 G HN 0.244 nan 8.290 nan 0.000 0.552 85 T N 1.388 115.910 114.554 -0.055 0.000 2.743 85 T HA 0.452 4.802 4.350 -0.001 0.000 0.293 85 T C 0.176 174.835 174.700 -0.069 0.000 0.945 85 T CA -0.294 61.784 62.100 -0.037 0.000 1.030 85 T CB 1.631 70.484 68.868 -0.026 0.000 0.912 85 T HN 0.022 nan 8.240 nan 0.000 0.483 86 I N 5.046 125.607 120.570 -0.015 0.000 2.363 86 I HA 0.022 4.192 4.170 -0.001 0.000 0.292 86 I C 0.941 177.054 176.117 -0.006 0.000 1.075 86 I CA -0.588 60.703 61.300 -0.016 0.000 1.333 86 I CB 0.829 38.895 38.000 0.110 0.000 1.415 86 I HN 0.478 nan 8.210 nan 0.000 0.502 87 L N 7.830 128.998 121.223 -0.091 0.000 1.994 87 L HA -0.035 4.305 4.340 -0.001 0.000 0.208 87 L C 0.538 177.506 176.870 0.163 0.000 1.071 87 L CA 1.664 56.497 54.840 -0.011 0.000 0.745 87 L CB -0.583 41.413 42.059 -0.104 0.000 0.892 87 L HN 0.661 nan 8.230 nan 0.000 0.431 88 W N -0.897 120.433 121.300 0.051 0.000 3.066 88 W HA 0.560 5.220 4.660 -0.001 0.000 0.330 88 W C -1.501 175.066 176.519 0.080 0.000 1.253 88 W CA -0.992 56.389 57.345 0.060 0.000 1.187 88 W CB 0.834 30.320 29.460 0.044 0.000 1.434 88 W HN 0.130 nan 8.180 nan 0.000 0.572 89 Q N 1.345 121.420 119.800 0.458 0.000 2.309 89 Q HA 0.451 4.791 4.340 -0.001 0.000 0.273 89 Q C -2.141 173.988 176.000 0.216 0.000 1.040 89 Q CA -0.729 55.185 55.803 0.184 0.000 0.834 89 Q CB 3.267 32.078 28.738 0.121 0.000 1.345 89 Q HN 0.355 nan 8.270 nan 0.000 0.414 90 D N 1.491 121.948 120.400 0.096 0.000 2.391 90 D HA 0.305 4.945 4.640 -0.001 0.000 0.245 90 D C -1.276 174.969 176.300 -0.092 0.000 1.069 90 D CA -0.438 53.595 54.000 0.054 0.000 0.831 90 D CB 1.199 42.073 40.800 0.122 0.000 1.204 90 D HN 0.397 nan 8.370 nan 0.000 0.503 91 K N 4.683 125.041 120.400 -0.071 0.000 2.579 91 K HA 0.354 4.674 4.320 -0.001 0.000 0.225 91 K C -2.450 174.102 176.600 -0.079 0.000 0.992 91 K CA -1.682 54.549 56.287 -0.093 0.000 1.018 91 K CB 1.622 34.085 32.500 -0.062 0.000 1.249 91 K HN 0.332 nan 8.250 nan 0.000 0.489 92 P HA -0.029 nan 4.420 nan 0.000 0.265 92 P C -1.018 176.224 177.300 -0.095 0.000 1.193 92 P CA -0.094 62.954 63.100 -0.086 0.000 0.765 92 P CB 0.498 32.144 31.700 -0.090 0.000 0.823 93 K N 3.179 123.544 120.400 -0.059 0.000 2.264 93 K HA 0.305 4.625 4.320 -0.001 0.000 0.277 93 K C 0.023 176.612 176.600 -0.019 0.000 1.067 93 K CA -0.463 55.798 56.287 -0.043 0.000 0.900 93 K CB 0.963 33.450 32.500 -0.020 0.000 1.124 93 K HN 0.444 nan 8.250 nan 0.000 0.469 94 Q N 1.363 121.156 119.800 -0.012 0.000 2.387 94 Q HA 0.233 4.573 4.340 -0.001 0.000 0.273 94 Q C -0.706 175.386 176.000 0.153 0.000 1.089 94 Q CA -1.250 54.603 55.803 0.083 0.000 0.824 94 Q CB 1.698 30.527 28.738 0.151 0.000 1.367 94 Q HN 0.368 nan 8.270 nan 0.000 0.443 95 N N 2.880 121.672 118.700 0.154 0.000 2.452 95 N HA 0.037 4.777 4.740 -0.001 0.000 0.266 95 N C -1.637 173.985 175.510 0.187 0.000 1.175 95 N CA -1.334 51.794 53.050 0.130 0.000 0.945 95 N CB 0.870 39.403 38.487 0.077 0.000 1.063 95 N HN 0.391 nan 8.380 nan 0.000 0.472 96 P HA -0.148 nan 4.420 nan 0.000 0.221 96 P C 0.772 178.088 177.300 0.027 0.000 1.145 96 P CA 0.874 64.074 63.100 0.167 0.000 0.795 96 P CB 0.146 31.926 31.700 0.134 0.000 0.775 97 A N 0.852 123.682 122.820 0.016 0.000 2.024 97 A HA -0.080 4.240 4.320 -0.001 0.000 0.220 97 A C 2.491 180.028 177.584 -0.078 0.000 1.164 97 A CA 1.834 53.855 52.037 -0.026 0.000 0.643 97 A CB -1.404 17.589 19.000 -0.013 0.000 0.806 97 A HN 0.252 nan 8.150 nan 0.000 0.451 98 A N 0.082 122.845 122.820 -0.095 0.000 1.986 98 A HA -0.236 4.084 4.320 -0.001 0.000 0.220 98 A C 2.195 179.607 177.584 -0.287 0.000 1.171 98 A CA 1.710 53.647 52.037 -0.168 0.000 0.640 98 A CB -0.483 18.434 19.000 -0.139 0.000 0.811 98 A HN 0.614 nan 8.150 nan 0.000 0.451 99 R N -0.651 119.625 120.500 -0.375 0.000 2.096 99 R HA -0.063 4.277 4.340 -0.001 0.000 0.235 99 R C 2.363 178.559 176.300 -0.172 0.000 1.127 99 R CA 1.154 57.052 56.100 -0.337 0.000 0.968 99 R CB -0.455 29.682 30.300 -0.271 0.000 0.861 99 R HN 0.505 nan 8.270 nan 0.000 0.440 100 A N 0.882 123.631 122.820 -0.118 0.000 2.067 100 A HA -0.075 4.245 4.320 -0.001 0.000 0.219 100 A C 1.962 179.548 177.584 0.003 0.000 1.158 100 A CA 1.363 53.367 52.037 -0.054 0.000 0.661 100 A CB -0.141 18.836 19.000 -0.038 0.000 0.801 100 A HN 0.252 nan 8.150 nan 0.000 0.452 101 V N -4.274 115.595 119.914 -0.076 0.000 3.376 101 V HA 0.649 4.769 4.120 -0.001 0.000 0.313 101 V C 0.736 176.764 176.094 -0.109 0.000 1.393 101 V CA -0.134 62.072 62.300 -0.157 0.000 1.125 101 V CB -0.824 30.873 31.823 -0.209 0.000 1.037 101 V HN 0.502 nan 8.190 nan 0.000 0.440 102 A N 0.412 123.212 122.820 -0.032 0.000 2.309 102 A HA 0.459 4.778 4.320 -0.001 0.000 0.290 102 A C 1.380 179.013 177.584 0.082 0.000 1.206 102 A CA 0.231 52.251 52.037 -0.029 0.000 0.850 102 A CB 0.330 19.290 19.000 -0.066 0.000 1.118 102 A HN 0.909 nan 8.150 nan 0.000 0.523 103 C N 1.135 120.491 119.300 0.093 0.000 2.440 103 C HA 0.054 4.513 4.460 -0.001 0.000 0.278 103 C C 1.523 176.443 174.990 -0.117 0.000 1.295 103 C CA 0.583 59.670 59.018 0.116 0.000 1.738 103 C CB -1.939 25.814 27.740 0.020 0.000 1.987 103 C HN 0.735 nan 8.230 nan 0.000 0.492 104 C N -0.280 118.949 119.300 -0.119 0.000 3.036 104 C HA 0.555 5.015 4.460 -0.001 0.000 0.227 104 C C 0.486 175.517 174.990 0.069 0.000 2.998 104 C CA -0.047 58.918 59.018 -0.089 0.000 1.926 104 C CB -0.222 27.403 27.740 -0.192 0.000 3.074 104 C HN 0.530 nan 8.230 nan 0.000 0.408 105 D N -0.212 120.278 120.400 0.150 0.000 2.433 105 D HA 0.296 4.936 4.640 -0.001 0.000 0.255 105 D C -0.318 176.078 176.300 0.160 0.000 1.226 105 D CA -0.255 53.894 54.000 0.248 0.000 1.015 105 D CB 0.349 41.268 40.800 0.198 0.000 1.091 105 D HN 0.387 nan 8.370 nan 0.000 0.527 106 L N 1.480 122.810 121.223 0.177 0.000 2.873 106 L HA 0.235 4.575 4.340 -0.001 0.000 0.236 106 L C 0.268 177.218 176.870 0.133 0.000 1.375 106 L CA -0.449 54.470 54.840 0.131 0.000 1.239 106 L CB -0.051 42.109 42.059 0.169 0.000 1.603 106 L HN 0.026 nan 8.230 nan 0.000 0.430 107 V N 0.872 120.856 119.914 0.117 0.000 3.036 107 V HA 0.369 4.489 4.120 -0.001 0.000 0.308 107 V C -0.007 176.175 176.094 0.145 0.000 1.070 107 V CA -0.409 61.966 62.300 0.125 0.000 1.056 107 V CB 1.977 33.898 31.823 0.164 0.000 1.084 107 V HN 0.598 nan 8.190 nan 0.000 0.471 108 N N 2.344 121.157 118.700 0.188 0.000 2.406 108 N HA 0.347 5.087 4.740 -0.001 0.000 0.283 108 N C 0.088 175.802 175.510 0.339 0.000 1.074 108 N CA -0.581 52.606 53.050 0.228 0.000 0.916 108 N CB 2.008 40.637 38.487 0.237 0.000 1.639 108 N HN 0.528 nan 8.380 nan 0.000 0.485 109 R N 1.285 121.932 120.500 0.245 0.000 2.299 109 R HA 0.252 4.592 4.340 -0.001 0.000 0.197 109 R C 0.835 177.283 176.300 0.247 0.000 0.971 109 R CA 0.479 56.764 56.100 0.308 0.000 1.030 109 R CB 0.202 30.534 30.300 0.053 0.000 0.932 109 R HN 0.695 nan 8.270 nan 0.000 0.477 110 G N -0.286 108.413 108.800 -0.169 0.000 2.361 110 G HA2 0.069 4.029 3.960 -0.001 0.000 0.305 110 G HA3 0.069 4.029 3.960 -0.001 0.000 0.305 110 G C -1.460 173.326 174.900 -0.191 0.000 1.367 110 G CA -1.079 43.748 45.100 -0.455 0.000 0.951 110 G HN -0.035 nan 8.290 nan 0.000 0.615 111 L N 0.013 121.192 121.223 -0.073 0.000 2.358 111 L HA 0.886 5.225 4.340 -0.001 0.000 0.268 111 L C 0.793 177.755 176.870 0.155 0.000 1.032 111 L CA -0.690 54.188 54.840 0.063 0.000 0.805 111 L CB 1.766 43.887 42.059 0.104 0.000 1.253 111 L HN 1.139 nan 8.230 nan 0.000 0.452 112 A N 0.543 123.447 122.820 0.141 0.000 2.479 112 A HA 0.697 5.017 4.320 -0.001 0.000 0.296 112 A C -2.017 175.674 177.584 0.179 0.000 1.121 112 A CA -0.390 51.748 52.037 0.168 0.000 0.743 112 A CB 1.625 20.713 19.000 0.146 0.000 1.323 112 A HN 0.617 nan 8.150 nan 0.000 0.415 113 Y N -0.399 119.919 120.300 0.031 0.000 2.442 113 Y HA 0.579 5.129 4.550 -0.001 0.000 0.344 113 Y C -1.617 174.350 175.900 0.112 0.000 0.976 113 Y CA -0.767 57.345 58.100 0.020 0.000 1.040 113 Y CB 1.695 40.133 38.460 -0.037 0.000 1.228 113 Y HN 0.844 nan 8.280 nan 0.000 0.451 114 W N 9.981 130.895 121.300 -0.644 0.000 2.538 114 W HA 0.498 5.158 4.660 -0.001 0.000 0.322 114 W C -2.410 173.619 176.519 -0.816 0.000 1.028 114 W CA -2.959 54.092 57.345 -0.491 0.000 1.228 114 W CB 1.972 31.286 29.460 -0.243 0.000 1.356 114 W HN 0.429 nan 8.180 nan 0.000 0.452 115 P HA 0.034 nan 4.420 nan 0.000 0.223 115 P C 0.466 177.216 177.300 -0.917 0.000 1.144 115 P CA 2.077 64.659 63.100 -0.864 0.000 0.783 115 P CB 0.077 31.486 31.700 -0.485 0.000 0.771 116 G N 0.177 107.934 108.800 -1.739 0.000 2.758 116 G HA2 -0.051 3.909 3.960 -0.001 0.000 0.686 116 G HA3 -0.051 3.909 3.960 -0.001 0.000 0.686 116 G C -0.442 173.880 174.900 -0.964 0.000 1.389 116 G CA -0.105 44.150 45.100 -1.408 0.000 0.845 116 G HN 0.285 nan 8.290 nan 0.000 0.572 117 D N -0.484 119.694 120.400 -0.371 0.000 3.435 117 D HA 0.573 5.213 4.640 -0.001 0.000 0.209 117 D C 1.843 178.122 176.300 -0.035 0.000 1.157 117 D CA 1.446 55.388 54.000 -0.097 0.000 1.322 117 D CB -0.474 40.412 40.800 0.144 0.000 0.924 117 D HN 1.273 nan 8.370 nan 0.000 0.180 118 G N -0.691 108.130 108.800 0.036 0.000 2.853 118 G HA2 0.004 3.964 3.960 -0.001 0.000 0.202 118 G HA3 0.004 3.964 3.960 -0.001 0.000 0.202 118 G C 1.357 176.283 174.900 0.044 0.000 1.118 118 G CA 0.562 45.678 45.100 0.027 0.000 0.831 118 G HN 0.479 nan 8.290 nan 0.000 0.613 119 K N 0.063 120.506 120.400 0.070 0.000 2.098 119 K HA 0.115 4.435 4.320 -0.001 0.000 0.203 119 K C 0.320 176.976 176.600 0.094 0.000 1.051 119 K CA 0.873 57.202 56.287 0.070 0.000 0.957 119 K CB -0.356 32.181 32.500 0.063 0.000 0.738 119 K HN 0.086 nan 8.250 nan 0.000 0.447 120 T N 4.628 119.277 114.554 0.159 0.000 2.817 120 T HA 0.263 4.613 4.350 -0.001 0.000 0.293 120 T C -2.419 172.405 174.700 0.208 0.000 0.964 120 T CA -1.590 60.642 62.100 0.220 0.000 1.085 120 T CB 1.571 70.643 68.868 0.340 0.000 0.921 120 T HN 0.183 nan 8.240 nan 0.000 0.502 121 P HA 0.346 nan 4.420 nan 0.000 0.276 121 P C -0.502 176.845 177.300 0.079 0.000 1.261 121 P CA -0.623 62.521 63.100 0.074 0.000 0.800 121 P CB 0.522 32.251 31.700 0.048 0.000 1.066 122 A N 1.382 124.185 122.820 -0.029 0.000 2.520 122 A HA 0.311 4.631 4.320 -0.001 0.000 0.235 122 A C 0.136 177.713 177.584 -0.011 0.000 1.065 122 A CA 0.331 52.288 52.037 -0.134 0.000 0.764 122 A CB -0.758 18.204 19.000 -0.063 0.000 1.002 122 A HN 0.497 nan 8.150 nan 0.000 0.502 123 L N 1.974 123.167 121.223 -0.050 0.000 2.388 123 L HA 0.492 4.832 4.340 -0.001 0.000 0.264 123 L C -0.711 176.142 176.870 -0.027 0.000 0.998 123 L CA -0.840 54.000 54.840 0.000 0.000 0.817 123 L CB 1.813 43.912 42.059 0.066 0.000 1.338 123 L HN 0.473 nan 8.230 nan 0.000 0.414 124 I N 3.208 123.764 120.570 -0.023 0.000 2.354 124 I HA 0.417 4.587 4.170 -0.001 0.000 0.292 124 I C -0.359 175.722 176.117 -0.059 0.000 0.989 124 I CA -0.331 60.972 61.300 0.005 0.000 1.188 124 I CB 1.655 39.697 38.000 0.071 0.000 1.342 124 I HN 0.393 nan 8.210 nan 0.000 0.457 125 L N 7.692 128.897 121.223 -0.031 0.000 2.329 125 L HA 0.546 4.885 4.340 -0.001 0.000 0.279 125 L C -0.081 176.768 176.870 -0.036 0.000 1.014 125 L CA -0.417 54.367 54.840 -0.093 0.000 0.814 125 L CB 1.419 43.447 42.059 -0.053 0.000 1.257 125 L HN 0.554 nan 8.230 nan 0.000 0.424 126 K N 0.180 120.535 120.400 -0.075 0.000 2.527 126 K HA 0.738 5.057 4.320 -0.001 0.000 0.260 126 K C -1.093 175.492 176.600 -0.024 0.000 0.937 126 K CA -0.768 55.507 56.287 -0.020 0.000 0.826 126 K CB 1.962 34.462 32.500 0.000 0.000 1.359 126 K HN 0.502 nan 8.250 nan 0.000 0.434 127 T N -0.396 114.170 114.554 0.019 0.000 2.943 127 T HA 0.390 4.740 4.350 -0.001 0.000 0.284 127 T C -0.319 174.411 174.700 0.049 0.000 1.015 127 T CA -0.786 61.333 62.100 0.031 0.000 1.042 127 T CB 1.421 70.322 68.868 0.055 0.000 1.055 127 T HN 0.625 nan 8.240 nan 0.000 0.500 128 Q N 0.883 120.717 119.800 0.057 0.000 2.377 128 Q HA 0.377 4.717 4.340 -0.001 0.000 0.271 128 Q C 0.530 176.603 176.000 0.120 0.000 1.077 128 Q CA -1.068 54.789 55.803 0.090 0.000 0.820 128 Q CB 2.368 31.146 28.738 0.068 0.000 1.347 128 Q HN 0.432 nan 8.270 nan 0.000 0.444 129 L N 2.358 123.697 121.223 0.194 0.000 2.127 129 L HA -0.161 4.179 4.340 -0.001 0.000 0.211 129 L C 1.255 178.188 176.870 0.106 0.000 1.089 129 L CA 2.238 57.171 54.840 0.155 0.000 0.757 129 L CB -0.588 41.590 42.059 0.198 0.000 0.899 129 L HN 0.888 nan 8.230 nan 0.000 0.434 130 D N -1.178 119.314 120.400 0.153 0.000 2.378 130 D HA 0.010 4.650 4.640 -0.001 0.000 0.227 130 D C 1.471 177.813 176.300 0.071 0.000 1.012 130 D CA 0.909 54.972 54.000 0.104 0.000 0.905 130 D CB -0.297 40.582 40.800 0.132 0.000 0.895 130 D HN 0.423 nan 8.370 nan 0.000 0.532 131 G N -0.431 108.410 108.800 0.069 0.000 2.176 131 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.232 131 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.232 131 G C 0.056 174.992 174.900 0.059 0.000 0.986 131 G CA -0.161 44.977 45.100 0.063 0.000 0.643 131 G HN 0.424 nan 8.290 nan 0.000 0.522 132 N N -0.219 118.510 118.700 0.048 0.000 2.515 132 N HA 0.559 5.299 4.740 -0.001 0.000 0.279 132 N C -0.245 175.268 175.510 0.005 0.000 1.164 132 N CA 0.029 53.094 53.050 0.026 0.000 0.982 132 N CB 2.067 40.565 38.487 0.018 0.000 1.170 132 N HN 0.093 nan 8.380 nan 0.000 0.474 133 V N 0.569 120.470 119.914 -0.022 0.000 2.604 133 V HA 0.756 4.876 4.120 -0.001 0.000 0.305 133 V C -0.259 175.759 176.094 -0.128 0.000 1.043 133 V CA -0.747 61.519 62.300 -0.057 0.000 0.888 133 V CB 1.450 33.229 31.823 -0.074 0.000 0.995 133 V HN 0.818 nan 8.190 nan 0.000 0.429 134 A N 3.157 125.817 122.820 -0.267 0.000 2.475 134 A HA 0.986 5.305 4.320 -0.001 0.000 0.301 134 A C -0.571 176.573 177.584 -0.734 0.000 1.059 134 A CA -0.367 51.390 52.037 -0.467 0.000 0.710 134 A CB 1.925 20.769 19.000 -0.260 0.000 1.288 134 A HN 1.440 nan 8.150 nan 0.000 0.408 135 A N 1.598 123.743 122.820 -1.125 0.000 2.318 135 A HA 0.750 5.070 4.320 -0.001 0.000 0.317 135 A C -0.843 176.391 177.584 -0.584 0.000 1.159 135 A CA -0.358 51.088 52.037 -0.986 0.000 0.799 135 A CB 0.422 18.462 19.000 -1.600 0.000 1.194 135 A HN 0.830 nan 8.150 nan 0.000 0.479 136 L N 2.088 123.098 121.223 -0.355 0.000 2.362 136 L HA 0.424 4.764 4.340 -0.001 0.000 0.271 136 L C 0.247 176.970 176.870 -0.244 0.000 1.002 136 L CA -1.135 53.524 54.840 -0.302 0.000 0.818 136 L CB 1.648 43.541 42.059 -0.277 0.000 1.298 136 L HN 0.762 nan 8.230 nan 0.000 0.420 137 N N 1.544 120.081 118.700 -0.270 0.000 2.440 137 N HA 0.020 4.760 4.740 -0.001 0.000 0.265 137 N C 0.737 176.140 175.510 -0.179 0.000 1.239 137 N CA 0.441 53.381 53.050 -0.184 0.000 0.909 137 N CB 1.800 40.172 38.487 -0.193 0.000 1.066 137 N HN 0.823 nan 8.380 nan 0.000 0.474 138 A N 4.423 127.265 122.820 0.036 0.000 2.070 138 A HA -0.115 4.205 4.320 -0.001 0.000 0.220 138 A C 1.639 179.516 177.584 0.489 0.000 1.159 138 A CA 1.149 53.358 52.037 0.285 0.000 0.656 138 A CB -0.035 19.151 19.000 0.309 0.000 0.800 138 A HN 0.764 nan 8.150 nan 0.000 0.453 139 E N -1.088 119.249 120.200 0.228 0.000 2.307 139 E HA -0.036 4.313 4.350 -0.001 0.000 0.195 139 E C 1.828 178.486 176.600 0.097 0.000 0.975 139 E CA 1.503 58.057 56.400 0.256 0.000 0.878 139 E CB -0.149 29.641 29.700 0.149 0.000 0.845 139 E HN 0.784 nan 8.360 nan 0.000 0.488 140 T N -3.928 110.469 114.554 -0.261 0.000 2.959 140 T HA 0.329 4.679 4.350 -0.001 0.000 0.254 140 T C 1.550 175.645 174.700 -1.008 0.000 1.003 140 T CA 0.715 62.565 62.100 -0.416 0.000 0.950 140 T CB 0.772 69.506 68.868 -0.224 0.000 1.090 140 T HN 0.171 nan 8.240 nan 0.000 0.503 141 G N 1.770 109.611 108.800 -1.599 0.000 2.184 141 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.264 141 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.264 141 G C -0.225 174.201 174.900 -0.791 0.000 0.975 141 G CA 0.208 44.136 45.100 -1.953 0.000 0.642 141 G HN 0.712 nan 8.290 nan 0.000 0.536 142 E N 0.890 120.788 120.200 -0.504 0.000 2.398 142 E HA 0.393 4.743 4.350 -0.001 0.000 0.263 142 E C 0.188 176.628 176.600 -0.265 0.000 1.046 142 E CA 0.230 56.457 56.400 -0.288 0.000 0.908 142 E CB 0.508 30.089 29.700 -0.198 0.000 0.963 142 E HN 0.127 nan 8.360 nan 0.000 0.431 143 T N 2.238 116.672 114.554 -0.200 0.000 2.779 143 T HA 0.064 4.413 4.350 -0.001 0.000 0.296 143 T C 1.107 175.710 174.700 -0.162 0.000 0.938 143 T CA -0.436 61.545 62.100 -0.198 0.000 1.119 143 T CB 0.943 69.721 68.868 -0.149 0.000 0.891 143 T HN 0.229 nan 8.240 nan 0.000 0.526 144 V N 3.474 123.260 119.914 -0.213 0.000 2.374 144 V HA 0.198 4.318 4.120 -0.001 0.000 0.241 144 V C 0.555 176.657 176.094 0.013 0.000 1.034 144 V CA 0.850 63.083 62.300 -0.113 0.000 1.037 144 V CB -0.039 31.707 31.823 -0.129 0.000 0.682 144 V HN 0.893 nan 8.190 nan 0.000 0.463 145 W N -0.727 120.516 121.300 -0.095 0.000 3.118 145 W HA 0.735 5.395 4.660 -0.001 0.000 0.328 145 W C -1.118 175.333 176.519 -0.114 0.000 1.239 145 W CA -1.056 56.228 57.345 -0.102 0.000 1.176 145 W CB 1.819 31.210 29.460 -0.116 0.000 1.433 145 W HN -0.142 nan 8.180 nan 0.000 0.562 146 K N 2.059 122.627 120.400 0.279 0.000 2.588 146 K HA 0.488 4.808 4.320 -0.001 0.000 0.250 146 K C -1.571 175.122 176.600 0.155 0.000 0.972 146 K CA -0.430 55.943 56.287 0.143 0.000 0.821 146 K CB 2.567 35.073 32.500 0.011 0.000 1.249 146 K HN 0.548 nan 8.250 nan 0.000 0.442 147 V N -0.149 119.840 119.914 0.125 0.000 3.040 147 V HA 0.584 4.704 4.120 -0.001 0.000 0.312 147 V C -0.757 175.342 176.094 0.008 0.000 1.115 147 V CA -0.980 61.336 62.300 0.026 0.000 0.998 147 V CB 1.822 33.593 31.823 -0.087 0.000 1.042 147 V HN 0.787 nan 8.190 nan 0.000 0.433 148 E N 1.845 122.064 120.200 0.033 0.000 2.229 148 E HA 0.304 4.654 4.350 -0.001 0.000 0.283 148 E C -0.067 176.596 176.600 0.106 0.000 1.030 148 E CA 0.004 56.439 56.400 0.058 0.000 0.836 148 E CB 1.482 31.217 29.700 0.059 0.000 1.068 148 E HN 0.833 nan 8.360 nan 0.000 0.401 149 N N 1.213 119.989 118.700 0.128 0.000 2.564 149 N HA 0.010 4.749 4.740 -0.001 0.000 0.202 149 N C -0.561 175.102 175.510 0.254 0.000 1.052 149 N CA 0.261 53.445 53.050 0.223 0.000 0.872 149 N CB 0.803 39.410 38.487 0.200 0.000 1.303 149 N HN 0.229 nan 8.380 nan 0.000 0.440 150 S N -0.622 115.183 115.700 0.175 0.000 2.599 150 S HA 0.328 4.798 4.470 -0.001 0.000 0.294 150 S C -1.772 172.899 174.600 0.117 0.000 1.094 150 S CA -0.777 57.531 58.200 0.181 0.000 0.931 150 S CB 1.975 65.243 63.200 0.114 0.000 1.093 150 S HN 0.181 nan 8.310 nan 0.000 0.488 151 D N 1.360 121.826 120.400 0.109 0.000 2.440 151 D HA 0.329 4.968 4.640 -0.001 0.000 0.239 151 D C 1.154 177.475 176.300 0.034 0.000 1.084 151 D CA -0.835 53.203 54.000 0.063 0.000 0.843 151 D CB 0.610 41.444 40.800 0.057 0.000 1.097 151 D HN 0.533 nan 8.370 nan 0.000 0.531 152 I N 0.900 121.478 120.570 0.014 0.000 2.567 152 I HA -0.080 4.089 4.170 -0.001 0.000 0.257 152 I C 1.662 177.757 176.117 -0.035 0.000 1.184 152 I CA 0.477 61.766 61.300 -0.019 0.000 1.451 152 I CB -0.041 37.945 38.000 -0.024 0.000 1.089 152 I HN 0.078 nan 8.210 nan 0.000 0.441 153 K N 1.181 121.569 120.400 -0.020 0.000 2.280 153 K HA -0.001 4.319 4.320 -0.001 0.000 0.202 153 K C 1.677 178.250 176.600 -0.046 0.000 1.047 153 K CA 0.885 57.152 56.287 -0.033 0.000 0.942 153 K CB 0.017 32.506 32.500 -0.020 0.000 0.739 153 K HN 0.363 nan 8.250 nan 0.000 0.457 154 V N -0.414 119.483 119.914 -0.029 0.000 3.427 154 V HA 0.138 4.258 4.120 -0.001 0.000 0.305 154 V C 0.658 176.731 176.094 -0.035 0.000 1.412 154 V CA 0.746 63.033 62.300 -0.023 0.000 1.086 154 V CB 0.439 32.276 31.823 0.022 0.000 0.964 154 V HN 0.527 nan 8.190 nan 0.000 0.439 155 G N 0.548 109.305 108.800 -0.072 0.000 2.132 155 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.234 155 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.234 155 G C 0.313 175.170 174.900 -0.071 0.000 0.989 155 G CA 0.457 45.482 45.100 -0.124 0.000 0.676 155 G HN 0.651 nan 8.290 nan 0.000 0.522 156 S N 0.661 116.354 115.700 -0.012 0.000 2.429 156 S HA 0.786 5.255 4.470 -0.001 0.000 0.302 156 S C 0.490 175.095 174.600 0.008 0.000 1.115 156 S CA 0.797 59.012 58.200 0.025 0.000 1.095 156 S CB 0.951 64.213 63.200 0.104 0.000 0.987 156 S HN 1.257 nan 8.310 nan 0.000 0.474 157 T N 2.477 117.026 114.554 -0.009 0.000 2.831 157 T HA 0.709 5.059 4.350 -0.001 0.000 0.287 157 T C -0.871 173.833 174.700 0.006 0.000 1.070 157 T CA -0.937 61.159 62.100 -0.006 0.000 1.010 157 T CB 0.834 69.680 68.868 -0.037 0.000 1.264 157 T HN 0.460 nan 8.240 nan 0.000 0.532 158 L N 1.364 122.602 121.223 0.025 0.000 2.381 158 L HA 0.560 4.899 4.340 -0.001 0.000 0.274 158 L C 0.798 177.702 176.870 0.057 0.000 0.988 158 L CA -0.733 54.131 54.840 0.039 0.000 0.824 158 L CB 2.488 44.576 42.059 0.049 0.000 1.263 158 L HN 1.167 nan 8.230 nan 0.000 0.410 159 T N -0.834 113.758 114.554 0.064 0.000 2.969 159 T HA 0.254 4.604 4.350 -0.001 0.000 0.258 159 T C 0.594 175.353 174.700 0.098 0.000 0.962 159 T CA -0.071 62.079 62.100 0.084 0.000 0.903 159 T CB 0.492 69.394 68.868 0.056 0.000 1.177 159 T HN 0.300 nan 8.240 nan 0.000 0.511 160 I N 2.681 123.304 120.570 0.088 0.000 2.779 160 I HA 0.528 4.698 4.170 -0.001 0.000 0.285 160 I C 0.480 176.634 176.117 0.063 0.000 1.134 160 I CA -0.746 60.582 61.300 0.046 0.000 1.398 160 I CB 0.820 38.849 38.000 0.048 0.000 1.404 160 I HN 0.364 nan 8.210 nan 0.000 0.587 161 A N 7.999 130.852 122.820 0.055 0.000 2.354 161 A HA 0.572 4.891 4.320 -0.001 0.000 0.269 161 A C -2.449 175.274 177.584 0.233 0.000 1.109 161 A CA -1.320 50.806 52.037 0.149 0.000 0.800 161 A CB -0.019 19.132 19.000 0.251 0.000 1.045 161 A HN 0.516 nan 8.150 nan 0.000 0.489 162 P HA 0.281 nan 4.420 nan 0.000 0.272 162 P C -1.240 176.247 177.300 0.312 0.000 1.240 162 P CA 0.275 63.493 63.100 0.197 0.000 0.791 162 P CB 0.274 32.046 31.700 0.119 0.000 0.978 163 Y N 0.429 120.748 120.300 0.031 0.000 2.373 163 Y HA 0.446 4.996 4.550 -0.001 0.000 0.336 163 Y C -1.122 174.767 175.900 -0.018 0.000 0.979 163 Y CA -0.820 57.293 58.100 0.021 0.000 1.080 163 Y CB 1.471 39.824 38.460 -0.178 0.000 1.190 163 Y HN -0.011 nan 8.280 nan 0.000 0.446 164 V N 6.789 126.583 119.914 -0.200 0.000 2.347 164 V HA 0.542 4.661 4.120 -0.001 0.000 0.280 164 V C -0.915 175.110 176.094 -0.116 0.000 1.021 164 V CA -0.679 61.564 62.300 -0.096 0.000 0.847 164 V CB 1.311 33.156 31.823 0.036 0.000 0.990 164 V HN 0.545 nan 8.190 nan 0.000 0.444 165 V N 6.506 126.340 119.914 -0.134 0.000 2.483 165 V HA 0.564 4.684 4.120 -0.001 0.000 0.297 165 V C 0.473 176.484 176.094 -0.138 0.000 1.027 165 V CA -0.818 61.314 62.300 -0.281 0.000 0.855 165 V CB 1.341 32.801 31.823 -0.604 0.000 0.995 165 V HN 0.953 nan 8.190 nan 0.000 0.424 166 K N 2.592 122.970 120.400 -0.037 0.000 1.791 166 K HA -0.237 4.083 4.320 -0.001 0.000 0.140 166 K C -0.134 176.555 176.600 0.148 0.000 1.312 166 K CA 1.728 58.057 56.287 0.070 0.000 0.382 166 K CB -0.736 31.782 32.500 0.030 0.000 0.635 166 K HN 0.757 nan 8.250 nan 0.000 0.838 167 D N 2.636 123.080 120.400 0.074 0.000 2.643 167 D HA 0.248 4.888 4.640 -0.001 0.000 0.244 167 D C -0.484 175.706 176.300 -0.183 0.000 1.257 167 D CA 0.335 54.321 54.000 -0.022 0.000 0.831 167 D CB 0.268 41.070 40.800 0.002 0.000 1.043 167 D HN 0.144 nan 8.370 nan 0.000 0.488 168 K N -0.336 119.984 120.400 -0.133 0.000 2.385 168 K HA 0.647 4.967 4.320 -0.001 0.000 0.248 168 K C -0.857 175.663 176.600 -0.132 0.000 0.955 168 K CA -0.986 55.206 56.287 -0.159 0.000 0.816 168 K CB 3.115 35.528 32.500 -0.145 0.000 1.250 168 K HN -0.267 nan 8.250 nan 0.000 0.434 169 V N 3.071 122.922 119.914 -0.105 0.000 2.409 169 V HA 0.370 4.489 4.120 -0.001 0.000 0.291 169 V C -0.392 175.652 176.094 -0.084 0.000 1.020 169 V CA -1.009 61.272 62.300 -0.032 0.000 0.848 169 V CB 1.181 33.063 31.823 0.097 0.000 0.990 169 V HN 0.581 nan 8.190 nan 0.000 0.430 170 I N 5.778 126.262 120.570 -0.144 0.000 2.331 170 I HA 0.472 4.641 4.170 -0.001 0.000 0.292 170 I C -0.288 175.752 176.117 -0.128 0.000 0.998 170 I CA -0.542 60.590 61.300 -0.280 0.000 1.267 170 I CB 1.400 39.119 38.000 -0.469 0.000 1.386 170 I HN 0.354 nan 8.210 nan 0.000 0.476 171 I N 5.119 125.639 120.570 -0.083 0.000 2.436 171 I HA 0.431 4.600 4.170 -0.001 0.000 0.289 171 I C 0.855 176.962 176.117 -0.016 0.000 1.010 171 I CA -0.211 61.111 61.300 0.035 0.000 1.098 171 I CB 1.273 39.359 38.000 0.143 0.000 1.266 171 I HN 0.643 nan 8.210 nan 0.000 0.434 172 G N 4.671 113.492 108.800 0.035 0.000 2.624 172 G HA2 0.589 4.548 3.960 -0.001 0.000 0.217 172 G HA3 0.589 4.548 3.960 -0.001 0.000 0.217 172 G C -0.332 174.478 174.900 -0.151 0.000 1.506 172 G CA 0.012 45.081 45.100 -0.051 0.000 1.072 172 G HN 0.711 nan 8.290 nan 0.000 0.568 173 S N -3.018 112.615 115.700 -0.112 0.000 2.567 173 S HA 0.711 5.181 4.470 -0.001 0.000 0.270 173 S C -1.056 173.569 174.600 0.042 0.000 1.152 173 S CA -0.647 57.456 58.200 -0.160 0.000 0.835 173 S CB 1.735 64.651 63.200 -0.472 0.000 1.115 173 S HN 0.774 nan 8.310 nan 0.000 0.459 174 S N -0.735 114.977 115.700 0.021 0.000 2.564 174 S HA 0.901 5.371 4.470 -0.001 0.000 0.274 174 S C 0.410 175.019 174.600 0.014 0.000 1.124 174 S CA -0.101 58.123 58.200 0.039 0.000 0.869 174 S CB 1.581 64.758 63.200 -0.038 0.000 1.105 174 S HN 2.227 nan 8.310 nan 0.000 0.472 175 G N 0.288 109.097 108.800 0.015 0.000 2.321 175 G HA2 0.018 3.977 3.960 -0.001 0.000 0.174 175 G HA3 0.018 3.977 3.960 -0.001 0.000 0.174 175 G C 0.803 175.760 174.900 0.095 0.000 1.008 175 G CA 0.351 45.462 45.100 0.018 0.000 0.739 175 G HN 0.980 nan 8.290 nan 0.000 0.502 176 A N 0.403 123.326 122.820 0.172 0.000 2.032 176 A HA 0.090 4.410 4.320 -0.001 0.000 0.221 176 A C 1.882 179.645 177.584 0.298 0.000 1.165 176 A CA 2.326 54.519 52.037 0.260 0.000 0.645 176 A CB -0.223 18.971 19.000 0.323 0.000 0.807 176 A HN 0.410 nan 8.150 nan 0.000 0.453 177 E N -1.039 119.310 120.200 0.249 0.000 2.418 177 E HA 0.041 4.390 4.350 -0.001 0.000 0.197 177 E C 0.548 177.258 176.600 0.184 0.000 1.026 177 E CA 0.510 57.063 56.400 0.256 0.000 0.862 177 E CB -0.049 29.804 29.700 0.255 0.000 0.799 177 E HN 0.564 nan 8.360 nan 0.000 0.518 178 L N -1.378 119.899 121.223 0.090 0.000 3.066 178 L HA 0.369 4.709 4.340 -0.001 0.000 0.265 178 L C 0.983 177.996 176.870 0.238 0.000 1.232 178 L CA 0.109 54.960 54.840 0.019 0.000 1.031 178 L CB 0.634 42.527 42.059 -0.277 0.000 1.379 178 L HN 0.064 nan 8.230 nan 0.000 0.563 179 G N 0.222 109.240 108.800 0.363 0.000 2.249 179 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.273 179 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.273 179 G C 0.151 175.137 174.900 0.143 0.000 1.036 179 G CA 0.257 45.550 45.100 0.322 0.000 0.824 179 G HN 0.152 nan 8.290 nan 0.000 0.504 180 V N 0.640 120.654 119.914 0.167 0.000 2.488 180 V HA 0.316 4.435 4.120 -0.001 0.000 0.277 180 V C 1.263 177.472 176.094 0.192 0.000 1.046 180 V CA -0.470 61.924 62.300 0.158 0.000 0.986 180 V CB 1.402 33.317 31.823 0.153 0.000 0.989 180 V HN 0.537 nan 8.190 nan 0.000 0.475 181 R N 3.799 124.418 120.500 0.199 0.000 2.347 181 R HA 0.368 4.707 4.340 -0.001 0.000 0.304 181 R C 0.535 177.067 176.300 0.388 0.000 1.072 181 R CA -0.114 56.141 56.100 0.258 0.000 0.980 181 R CB 0.558 30.993 30.300 0.225 0.000 0.986 181 R HN 0.902 nan 8.270 nan 0.000 0.448 182 G N 3.628 112.633 108.800 0.341 0.000 2.491 182 G HA2 0.235 4.195 3.960 -0.001 0.000 0.242 182 G HA3 0.235 4.195 3.960 -0.001 0.000 0.242 182 G C -1.163 173.928 174.900 0.319 0.000 1.266 182 G CA -0.224 45.044 45.100 0.280 0.000 0.844 182 G HN 0.736 nan 8.290 nan 0.000 0.571 183 Y N -0.430 119.865 120.300 -0.010 0.000 2.558 183 Y HA 0.650 5.199 4.550 -0.001 0.000 0.333 183 Y C -0.960 174.847 175.900 -0.155 0.000 1.125 183 Y CA -1.794 56.164 58.100 -0.238 0.000 1.039 183 Y CB 1.174 39.218 38.460 -0.693 0.000 1.331 183 Y HN 0.700 nan 8.280 nan 0.000 0.456 184 L N 0.675 121.855 121.223 -0.072 0.000 2.341 184 L HA 1.078 5.418 4.340 -0.001 0.000 0.267 184 L C -1.208 175.563 176.870 -0.165 0.000 1.009 184 L CA -0.715 54.041 54.840 -0.139 0.000 0.819 184 L CB 2.697 44.653 42.059 -0.172 0.000 1.323 184 L HN 0.798 nan 8.230 nan 0.000 0.425 185 T N 1.247 115.600 114.554 -0.336 0.000 2.900 185 T HA 0.804 5.153 4.350 -0.001 0.000 0.295 185 T C -0.656 173.495 174.700 -0.914 0.000 1.044 185 T CA -0.482 61.258 62.100 -0.601 0.000 0.995 185 T CB 1.832 70.431 68.868 -0.449 0.000 1.072 185 T HN 0.919 nan 8.240 nan 0.000 0.473 186 A N 2.237 124.250 122.820 -1.346 0.000 2.318 186 A HA 0.815 5.135 4.320 -0.001 0.000 0.317 186 A C -1.599 175.451 177.584 -0.891 0.000 1.159 186 A CA -0.637 50.696 52.037 -1.173 0.000 0.799 186 A CB 0.565 18.494 19.000 -1.785 0.000 1.194 186 A HN 0.782 nan 8.150 nan 0.000 0.479 187 Y N 0.261 120.305 120.300 -0.428 0.000 2.509 187 Y HA 0.419 4.969 4.550 -0.000 0.000 0.341 187 Y C 0.190 175.869 175.900 -0.368 0.000 1.038 187 Y CA -0.672 57.200 58.100 -0.380 0.000 1.089 187 Y CB 1.631 39.862 38.460 -0.381 0.000 1.241 187 Y HN 0.804 nan 8.280 nan 0.000 0.468 188 D N 0.815 121.076 120.400 -0.232 0.000 2.371 188 D HA 0.017 4.657 4.640 -0.001 0.000 0.256 188 D C 0.760 176.841 176.300 -0.365 0.000 1.193 188 D CA 0.235 54.067 54.000 -0.280 0.000 0.881 188 D CB 1.439 42.077 40.800 -0.270 0.000 1.143 188 D HN 0.429 nan 8.370 nan 0.000 0.473 189 V N 4.266 123.972 119.914 -0.347 0.000 2.828 189 V HA -0.221 3.899 4.120 -0.001 0.000 0.260 189 V C 1.585 177.509 176.094 -0.284 0.000 1.101 189 V CA 1.865 63.966 62.300 -0.331 0.000 1.123 189 V CB -0.357 31.023 31.823 -0.738 0.000 0.704 189 V HN 0.596 nan 8.190 nan 0.000 0.493 190 K N -0.386 119.766 120.400 -0.412 0.000 2.284 190 K HA 0.066 4.385 4.320 -0.001 0.000 0.198 190 K C 1.686 178.164 176.600 -0.204 0.000 1.048 190 K CA 1.276 57.411 56.287 -0.253 0.000 0.987 190 K CB 0.068 32.414 32.500 -0.256 0.000 0.800 190 K HN 0.653 nan 8.250 nan 0.000 0.486 191 T N -4.154 110.102 114.554 -0.497 0.000 2.958 191 T HA 0.253 4.603 4.350 -0.001 0.000 0.256 191 T C 1.376 175.443 174.700 -1.056 0.000 0.983 191 T CA 0.326 62.088 62.100 -0.564 0.000 0.924 191 T CB 0.945 69.621 68.868 -0.320 0.000 1.136 191 T HN 0.243 nan 8.240 nan 0.000 0.506 192 G N 1.684 109.532 108.800 -1.587 0.000 2.157 192 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.248 192 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.248 192 G C -0.181 174.349 174.900 -0.615 0.000 0.979 192 G CA 0.195 44.259 45.100 -1.727 0.000 0.650 192 G HN 0.883 nan 8.290 nan 0.000 0.529 193 E N 0.646 120.590 120.200 -0.426 0.000 2.324 193 E HA 0.367 4.717 4.350 -0.001 0.000 0.271 193 E C 0.669 177.187 176.600 -0.137 0.000 1.028 193 E CA -0.359 55.916 56.400 -0.208 0.000 0.890 193 E CB 0.259 29.839 29.700 -0.200 0.000 1.004 193 E HN 0.441 nan 8.360 nan 0.000 0.431 194 Q N 3.553 123.284 119.800 -0.115 0.000 2.286 194 Q HA 0.047 4.386 4.340 -0.001 0.000 0.267 194 Q C 0.030 175.875 176.000 -0.258 0.000 1.028 194 Q CA -0.338 55.270 55.803 -0.324 0.000 0.901 194 Q CB 1.036 29.605 28.738 -0.283 0.000 1.183 194 Q HN 0.604 nan 8.270 nan 0.000 0.392 195 V N 5.649 125.367 119.914 -0.327 0.000 2.492 195 V HA 0.168 4.287 4.120 -0.001 0.000 0.241 195 V C 0.274 176.369 176.094 0.001 0.000 1.041 195 V CA 0.724 62.931 62.300 -0.155 0.000 1.057 195 V CB -0.099 31.634 31.823 -0.149 0.000 0.711 195 V HN 0.869 nan 8.190 nan 0.000 0.468 196 W N -0.155 121.010 121.300 -0.224 0.000 3.213 196 W HA 0.730 5.389 4.660 -0.000 0.000 0.318 196 W C -1.072 175.319 176.519 -0.212 0.000 1.248 196 W CA -0.997 56.240 57.345 -0.181 0.000 1.187 196 W CB 1.722 31.096 29.460 -0.142 0.000 1.403 196 W HN -0.048 nan 8.180 nan 0.000 0.556 197 R N 1.906 122.558 120.500 0.252 0.000 2.515 197 R HA 0.654 4.994 4.340 -0.001 0.000 0.291 197 R C -1.610 174.775 176.300 0.141 0.000 1.046 197 R CA -0.273 55.885 56.100 0.096 0.000 0.914 197 R CB 1.785 32.039 30.300 -0.078 0.000 1.191 197 R HN 0.692 nan 8.270 nan 0.000 0.435 198 A N 4.041 126.939 122.820 0.130 0.000 2.342 198 A HA 0.610 4.929 4.320 -0.001 0.000 0.323 198 A C -1.571 175.976 177.584 -0.061 0.000 1.125 198 A CA -0.549 51.526 52.037 0.065 0.000 0.785 198 A CB 0.709 19.729 19.000 0.033 0.000 1.221 198 A HN 0.652 nan 8.150 nan 0.000 0.463 199 Y N 0.536 120.883 120.300 0.077 0.000 2.432 199 Y HA 0.506 5.056 4.550 -0.001 0.000 0.322 199 Y C 1.363 177.332 175.900 0.116 0.000 1.246 199 Y CA 0.279 58.460 58.100 0.135 0.000 1.268 199 Y CB 1.682 40.213 38.460 0.118 0.000 1.276 199 Y HN 0.703 nan 8.280 nan 0.000 0.499 200 A N -0.123 122.923 122.820 0.377 0.000 2.115 200 A HA 0.197 4.516 4.320 -0.001 0.000 0.211 200 A C 0.711 178.577 177.584 0.469 0.000 1.169 200 A CA 1.085 53.359 52.037 0.396 0.000 0.787 200 A CB -0.412 18.831 19.000 0.405 0.000 0.858 200 A HN 0.711 nan 8.150 nan 0.000 0.474 201 T N -5.181 109.600 114.554 0.379 0.000 2.838 201 T HA 0.656 5.006 4.350 -0.001 0.000 0.292 201 T C 0.322 175.061 174.700 0.065 0.000 1.113 201 T CA 0.141 62.411 62.100 0.284 0.000 1.008 201 T CB 1.329 70.304 68.868 0.178 0.000 1.259 201 T HN 1.985 nan 8.240 nan 0.000 0.520 202 G N 1.007 109.640 108.800 -0.278 0.000 2.587 202 G HA2 0.046 4.006 3.960 -0.001 0.000 0.212 202 G HA3 0.046 4.006 3.960 -0.001 0.000 0.212 202 G C -3.046 171.466 174.900 -0.648 0.000 1.327 202 G CA -0.636 43.871 45.100 -0.988 0.000 0.898 202 G HN 0.872 nan 8.290 nan 0.000 0.551 203 P HA 0.213 nan 4.420 nan 0.000 0.266 203 P C 0.343 177.530 177.300 -0.189 0.000 1.195 203 P CA 0.186 63.075 63.100 -0.352 0.000 0.768 203 P CB 0.365 31.885 31.700 -0.300 0.000 0.838 204 D N 2.799 123.128 120.400 -0.118 0.000 2.190 204 D HA -0.189 4.450 4.640 -0.001 0.000 0.200 204 D C 1.620 177.858 176.300 -0.104 0.000 0.992 204 D CA 1.381 55.327 54.000 -0.091 0.000 0.854 204 D CB -0.048 40.714 40.800 -0.062 0.000 0.936 204 D HN 0.456 nan 8.370 nan 0.000 0.462 205 K N 0.830 121.172 120.400 -0.096 0.000 2.097 205 K HA -0.121 4.199 4.320 -0.001 0.000 0.206 205 K C 1.349 177.911 176.600 -0.063 0.000 1.049 205 K CA 0.957 57.197 56.287 -0.078 0.000 0.933 205 K CB -0.498 31.960 32.500 -0.069 0.000 0.717 205 K HN 0.117 nan 8.250 nan 0.000 0.442 206 D N 1.237 121.591 120.400 -0.077 0.000 2.149 206 D HA 0.003 4.643 4.640 -0.001 0.000 0.201 206 D C 2.115 178.465 176.300 0.082 0.000 0.972 206 D CA 0.585 54.577 54.000 -0.013 0.000 0.835 206 D CB -0.120 40.575 40.800 -0.175 0.000 0.966 206 D HN 0.126 nan 8.370 nan 0.000 0.476 207 L N 0.081 121.291 121.223 -0.022 0.000 2.275 207 L HA 0.015 4.355 4.340 -0.001 0.000 0.215 207 L C 0.978 177.734 176.870 -0.190 0.000 1.119 207 L CA 0.089 54.880 54.840 -0.082 0.000 0.790 207 L CB 0.022 42.002 42.059 -0.133 0.000 0.919 207 L HN 0.089 nan 8.230 nan 0.000 0.443 208 L N 1.209 122.337 121.223 -0.159 0.000 3.664 208 L HA -0.209 4.130 4.340 -0.001 0.000 0.560 208 L C -0.488 176.207 176.870 -0.291 0.000 1.285 208 L CA -0.185 54.535 54.840 -0.200 0.000 0.864 208 L CB -0.674 41.267 42.059 -0.197 0.000 1.512 208 L HN 0.196 nan 8.230 nan 0.000 0.853 209 L N 1.331 122.377 121.223 -0.296 0.000 2.350 209 L HA 0.626 4.966 4.340 -0.001 0.000 0.275 209 L C 1.043 177.815 176.870 -0.162 0.000 1.099 209 L CA -0.006 54.622 54.840 -0.353 0.000 0.808 209 L CB 1.294 43.059 42.059 -0.490 0.000 1.149 209 L HN 0.448 nan 8.230 nan 0.000 0.442 210 A N 1.436 124.218 122.820 -0.064 0.000 2.386 210 A HA 0.272 4.592 4.320 -0.001 0.000 0.248 210 A C 1.256 178.868 177.584 0.047 0.000 1.082 210 A CA 0.161 52.194 52.037 -0.006 0.000 0.789 210 A CB 0.527 19.547 19.000 0.033 0.000 1.025 210 A HN 0.922 nan 8.150 nan 0.000 0.490 211 S N 0.638 116.352 115.700 0.023 0.000 2.400 211 S HA -0.188 4.282 4.470 -0.001 0.000 0.232 211 S C 0.784 175.425 174.600 0.068 0.000 1.025 211 S CA 1.538 59.760 58.200 0.036 0.000 0.993 211 S CB -0.430 62.779 63.200 0.014 0.000 0.808 211 S HN 0.828 nan 8.310 nan 0.000 0.478 212 D N 0.240 120.683 120.400 0.071 0.000 2.460 212 D HA 0.119 4.759 4.640 -0.001 0.000 0.229 212 D C -0.051 176.310 176.300 0.102 0.000 1.170 212 D CA -0.903 53.138 54.000 0.068 0.000 0.827 212 D CB -1.042 39.781 40.800 0.038 0.000 0.973 212 D HN 0.392 nan 8.370 nan 0.000 0.496 213 F N 2.484 122.434 119.950 -0.001 0.000 2.590 213 F HA 0.077 4.604 4.527 -0.000 0.000 0.389 213 F C 0.747 176.565 175.800 0.030 0.000 1.049 213 F CA 0.002 58.004 58.000 0.004 0.000 1.199 213 F CB 0.073 39.055 39.000 -0.031 0.000 1.058 213 F HN -0.083 nan 8.300 nan 0.000 0.556 214 N N 4.595 122.908 118.700 -0.644 0.000 2.714 214 N HA -0.304 4.436 4.740 -0.001 0.000 0.250 214 N C 1.344 176.698 175.510 -0.260 0.000 1.117 214 N CA 1.101 53.823 53.050 -0.546 0.000 0.719 214 N CB -1.466 36.557 38.487 -0.773 0.000 1.081 214 N HN 0.808 nan 8.380 nan 0.000 0.557 215 I N 0.127 120.608 120.570 -0.148 0.000 2.264 215 I HA -0.275 3.894 4.170 -0.001 0.000 0.248 215 I C 1.962 178.016 176.117 -0.105 0.000 1.111 215 I CA 1.326 62.575 61.300 -0.085 0.000 1.382 215 I CB 0.053 38.029 38.000 -0.040 0.000 1.060 215 I HN 0.166 nan 8.210 nan 0.000 0.418 216 K N 0.230 120.545 120.400 -0.141 0.000 2.243 216 K HA 0.067 4.387 4.320 -0.001 0.000 0.201 216 K C 0.253 176.730 176.600 -0.204 0.000 1.051 216 K CA 0.611 56.806 56.287 -0.154 0.000 0.970 216 K CB -0.018 32.386 32.500 -0.160 0.000 0.755 216 K HN 0.379 nan 8.250 nan 0.000 0.465 217 N N 1.451 119.954 118.700 -0.328 0.000 2.723 217 N HA 0.110 4.850 4.740 -0.001 0.000 0.290 217 N C -2.257 173.004 175.510 -0.415 0.000 1.882 217 N CA -0.934 51.811 53.050 -0.507 0.000 0.851 217 N CB 1.440 39.075 38.487 -1.420 0.000 1.234 217 N HN -0.033 nan 8.380 nan 0.000 0.491 218 P HA -0.175 nan 4.420 nan 0.000 0.221 218 P C 1.055 178.393 177.300 0.064 0.000 1.145 218 P CA 1.291 64.376 63.100 -0.024 0.000 0.795 218 P CB -0.054 31.651 31.700 0.009 0.000 0.775 219 H N -2.263 116.764 119.070 -0.073 0.000 2.546 219 H HA -0.026 4.530 4.556 -0.001 0.000 0.277 219 H C 1.741 177.184 175.328 0.192 0.000 1.004 219 H CA 0.337 56.405 56.048 0.034 0.000 1.231 219 H CB -1.543 28.227 29.762 0.012 0.000 1.382 219 H HN 0.282 nan 8.280 nan 0.000 0.580 220 Y N 1.695 121.824 120.300 -0.285 0.000 2.439 220 Y HA 0.101 4.651 4.550 -0.000 0.000 0.292 220 Y C 1.268 177.216 175.900 0.080 0.000 1.130 220 Y CA 0.145 58.168 58.100 -0.128 0.000 1.254 220 Y CB 0.459 38.863 38.460 -0.092 0.000 1.000 220 Y HN 0.514 nan 8.280 nan 0.000 0.554 221 G N 0.152 109.112 108.800 0.266 0.000 2.640 221 G HA2 -0.096 3.863 3.960 -0.001 0.000 0.686 221 G HA3 -0.096 3.863 3.960 -0.001 0.000 0.686 221 G C -0.956 174.206 174.900 0.438 0.000 1.229 221 G CA -0.545 44.740 45.100 0.309 0.000 0.796 221 G HN 0.199 nan 8.290 nan 0.000 0.654 222 Q N -0.043 120.008 119.800 0.418 0.000 2.282 222 Q HA 0.339 4.678 4.340 -0.001 0.000 0.193 222 Q C 0.553 176.871 176.000 0.530 0.000 0.742 222 Q CA -0.484 55.617 55.803 0.497 0.000 0.560 222 Q CB 0.612 29.515 28.738 0.275 0.000 2.766 222 Q HN 0.538 nan 8.270 nan 0.000 0.318 223 K N 0.370 120.960 120.400 0.317 0.000 2.118 223 K HA 0.393 4.712 4.320 -0.001 0.000 0.264 223 K C 0.348 177.059 176.600 0.186 0.000 1.000 223 K CA 0.481 56.902 56.287 0.223 0.000 0.929 223 K CB 0.965 33.547 32.500 0.137 0.000 1.021 223 K HN 0.730 nan 8.250 nan 0.000 0.463 224 G N 1.044 109.929 108.800 0.141 0.000 2.168 224 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.263 224 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.263 224 G C 0.668 175.626 174.900 0.098 0.000 0.977 224 G CA 0.371 45.524 45.100 0.088 0.000 0.659 224 G HN 0.556 nan 8.290 nan 0.000 0.533 225 L N 0.259 121.587 121.223 0.175 0.000 2.313 225 L HA 0.182 4.521 4.340 -0.001 0.000 0.214 225 L C 2.937 179.822 176.870 0.024 0.000 1.119 225 L CA 1.029 55.905 54.840 0.061 0.000 0.809 225 L CB -0.511 41.533 42.059 -0.025 0.000 0.933 225 L HN 0.294 nan 8.230 nan 0.000 0.449 226 G N 0.052 108.939 108.800 0.145 0.000 2.470 226 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.220 226 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.220 226 G C 1.616 176.540 174.900 0.041 0.000 1.121 226 G CA 1.500 46.697 45.100 0.162 0.000 0.766 226 G HN 0.468 nan 8.290 nan 0.000 0.553 227 T N -3.631 110.883 114.554 -0.065 0.000 2.999 227 T HA 0.242 4.592 4.350 -0.001 0.000 0.247 227 T C 2.407 177.201 174.700 0.158 0.000 1.012 227 T CA 1.138 63.160 62.100 -0.130 0.000 1.048 227 T CB -0.028 68.629 68.868 -0.352 0.000 1.020 227 T HN 0.125 nan 8.240 nan 0.000 0.478 228 G N 2.355 111.212 108.800 0.096 0.000 2.432 228 G HA2 -0.104 3.856 3.960 -0.001 0.000 0.219 228 G HA3 -0.104 3.856 3.960 -0.001 0.000 0.219 228 G C 1.540 176.484 174.900 0.073 0.000 1.135 228 G CA 1.428 46.577 45.100 0.082 0.000 0.767 228 G HN 0.700 nan 8.290 nan 0.000 0.550 229 T N -3.451 111.134 114.554 0.052 0.000 3.273 229 T HA 0.398 4.747 4.350 -0.001 0.000 0.254 229 T C -0.291 174.285 174.700 -0.206 0.000 1.002 229 T CA -0.805 61.225 62.100 -0.118 0.000 0.913 229 T CB -0.316 68.385 68.868 -0.279 0.000 1.056 229 T HN 0.259 nan 8.240 nan 0.000 0.576 230 W N 0.422 121.755 121.300 0.055 0.000 3.033 230 W HA 0.543 5.203 4.660 -0.001 0.000 0.336 230 W C -0.486 176.105 176.519 0.120 0.000 1.173 230 W CA -1.074 56.344 57.345 0.122 0.000 1.185 230 W CB 1.529 31.135 29.460 0.243 0.000 1.425 230 W HN 0.052 nan 8.180 nan 0.000 0.536 231 E N 1.685 122.109 120.200 0.374 0.000 2.146 231 E HA 0.492 4.842 4.350 -0.001 0.000 0.282 231 E C 0.802 177.543 176.600 0.234 0.000 0.989 231 E CA 0.516 57.057 56.400 0.235 0.000 0.799 231 E CB 0.574 30.367 29.700 0.155 0.000 1.088 231 E HN 0.661 nan 8.360 nan 0.000 0.397 232 G N 4.803 113.723 108.800 0.201 0.000 2.552 232 G HA2 -0.312 3.648 3.960 -0.001 0.000 0.265 232 G HA3 -0.312 3.648 3.960 -0.001 0.000 0.265 232 G C 0.293 175.274 174.900 0.135 0.000 1.234 232 G CA 0.138 45.325 45.100 0.145 0.000 0.944 232 G HN 0.704 nan 8.290 nan 0.000 0.568 233 D N 1.297 121.639 120.400 -0.097 0.000 2.336 233 D HA 0.346 4.986 4.640 -0.001 0.000 0.229 233 D C 2.373 178.202 176.300 -0.785 0.000 1.061 233 D CA 1.184 54.854 54.000 -0.550 0.000 0.875 233 D CB -0.407 40.115 40.800 -0.463 0.000 0.904 233 D HN 0.808 nan 8.370 nan 0.000 0.525 234 A N 1.152 123.772 122.820 -0.332 0.000 2.084 234 A HA -0.171 4.149 4.320 -0.001 0.000 0.221 234 A C 1.942 179.194 177.584 -0.553 0.000 1.161 234 A CA 0.850 52.750 52.037 -0.227 0.000 0.653 234 A CB -1.048 18.061 19.000 0.182 0.000 0.802 234 A HN 0.562 nan 8.150 nan 0.000 0.457 235 W N -0.151 120.707 121.300 -0.737 0.000 2.525 235 W HA -0.014 4.646 4.660 -0.000 0.000 0.259 235 W C 1.087 177.210 176.519 -0.660 0.000 1.253 235 W CA 0.851 57.406 57.345 -1.317 0.000 1.262 235 W CB -0.629 28.066 29.460 -1.275 0.000 1.122 235 W HN 0.276 nan 8.180 nan 0.000 0.607 236 K N 1.676 121.447 120.400 -1.048 0.000 2.211 236 K HA -0.084 4.235 4.320 -0.001 0.000 0.203 236 K C 1.530 177.869 176.600 -0.434 0.000 1.050 236 K CA 1.633 57.446 56.287 -0.790 0.000 0.945 236 K CB -0.218 31.717 32.500 -0.942 0.000 0.732 236 K HN 0.381 nan 8.250 nan 0.000 0.451 237 I N -4.043 116.251 120.570 -0.459 0.000 3.176 237 I HA 0.331 4.501 4.170 -0.001 0.000 0.339 237 I C 0.712 176.748 176.117 -0.135 0.000 1.505 237 I CA -0.491 60.586 61.300 -0.372 0.000 0.969 237 I CB 0.843 38.358 38.000 -0.809 0.000 1.636 237 I HN -0.157 nan 8.210 nan 0.000 0.523 238 G N 0.729 109.437 108.800 -0.153 0.000 2.985 238 G HA2 0.466 4.426 3.960 -0.001 0.000 0.209 238 G HA3 0.466 4.426 3.960 -0.001 0.000 0.209 238 G C 0.881 175.956 174.900 0.292 0.000 1.165 238 G CA 0.425 45.504 45.100 -0.035 0.000 0.776 238 G HN 0.872 nan 8.290 nan 0.000 0.541 239 G N -0.478 108.473 108.800 0.252 0.000 2.525 239 G HA2 0.306 4.266 3.960 -0.001 0.000 0.248 239 G HA3 0.306 4.266 3.960 -0.001 0.000 0.248 239 G C 1.031 176.125 174.900 0.324 0.000 1.238 239 G CA 0.851 46.134 45.100 0.305 0.000 0.926 239 G HN 1.890 nan 8.290 nan 0.000 0.574 240 G N -2.253 106.748 108.800 0.334 0.000 2.141 240 G HA2 0.165 4.125 3.960 -0.001 0.000 0.242 240 G HA3 0.165 4.125 3.960 -0.001 0.000 0.242 240 G C 1.014 176.092 174.900 0.298 0.000 0.982 240 G CA 1.524 46.825 45.100 0.335 0.000 0.662 240 G HN 2.798 nan 8.290 nan 0.000 0.527 241 T N -0.134 114.592 114.554 0.286 0.000 2.903 241 T HA 0.419 4.769 4.350 -0.001 0.000 0.314 241 T C 0.280 175.118 174.700 0.230 0.000 1.078 241 T CA 0.268 62.511 62.100 0.239 0.000 1.114 241 T CB 1.302 70.328 68.868 0.263 0.000 0.987 241 T HN 0.952 nan 8.240 nan 0.000 0.548 242 N N 2.728 121.498 118.700 0.116 0.000 2.518 242 N HA 0.140 4.880 4.740 -0.001 0.000 0.254 242 N C -0.036 175.442 175.510 -0.054 0.000 0.979 242 N CA -1.095 51.940 53.050 -0.025 0.000 0.930 242 N CB 1.073 39.555 38.487 -0.009 0.000 1.152 242 N HN 1.067 nan 8.380 nan 0.000 0.505 243 W N 1.755 123.005 121.300 -0.084 0.000 2.684 243 W HA 0.445 5.105 4.660 -0.000 0.000 0.381 243 W C -0.228 176.148 176.519 -0.239 0.000 0.975 243 W CA -0.674 56.593 57.345 -0.130 0.000 1.789 243 W CB -0.493 28.934 29.460 -0.054 0.000 1.161 243 W HN 0.384 nan 8.180 nan 0.000 0.564 244 G N 1.534 109.973 108.800 -0.602 0.000 3.286 244 G HA2 0.399 4.359 3.960 -0.001 0.000 0.173 244 G HA3 0.399 4.359 3.960 -0.001 0.000 0.173 244 G C -1.316 173.109 174.900 -0.791 0.000 1.704 244 G CA -0.279 44.397 45.100 -0.707 0.000 1.041 244 G HN 0.133 nan 8.290 nan 0.000 0.561 245 W N -2.067 119.111 121.300 -0.204 0.000 2.850 245 W HA 0.718 5.378 4.660 -0.001 0.000 0.349 245 W C -1.200 175.122 176.519 -0.328 0.000 1.133 245 W CA -0.797 56.463 57.345 -0.142 0.000 1.117 245 W CB 1.210 30.712 29.460 0.069 0.000 1.442 245 W HN 0.320 nan 8.180 nan 0.000 0.575 246 Y N 0.357 120.717 120.300 0.099 0.000 2.633 246 Y HA 0.826 5.376 4.550 -0.001 0.000 0.339 246 Y C 0.228 176.129 175.900 0.002 0.000 1.045 246 Y CA -1.544 56.507 58.100 -0.082 0.000 1.098 246 Y CB 1.846 39.954 38.460 -0.588 0.000 1.296 246 Y HN 0.470 nan 8.280 nan 0.000 0.494 247 A N 0.692 123.767 122.820 0.425 0.000 2.566 247 A HA 0.769 5.089 4.320 -0.001 0.000 0.292 247 A C -2.528 175.498 177.584 0.736 0.000 1.112 247 A CA -0.703 51.679 52.037 0.574 0.000 0.707 247 A CB 1.778 21.067 19.000 0.482 0.000 1.302 247 A HN 0.690 nan 8.150 nan 0.000 0.409 248 Y N 0.697 121.341 120.300 0.574 0.000 2.479 248 Y HA 0.587 5.137 4.550 -0.000 0.000 0.338 248 Y C -1.792 174.278 175.900 0.282 0.000 1.055 248 Y CA -0.990 57.312 58.100 0.338 0.000 1.023 248 Y CB 2.040 40.576 38.460 0.128 0.000 1.287 248 Y HN 0.652 nan 8.280 nan 0.000 0.447 249 D N 7.434 127.637 120.400 -0.327 0.000 2.453 249 D HA 0.400 5.039 4.640 -0.001 0.000 0.238 249 D C -2.317 173.481 176.300 -0.836 0.000 1.088 249 D CA -2.521 51.289 54.000 -0.317 0.000 0.854 249 D CB 2.478 43.328 40.800 0.083 0.000 1.076 249 D HN 0.329 nan 8.370 nan 0.000 0.533 250 P HA -0.012 nan 4.420 nan 0.000 0.219 250 P C 1.280 178.437 177.300 -0.238 0.000 1.146 250 P CA 0.795 63.562 63.100 -0.554 0.000 0.808 250 P CB 0.379 31.984 31.700 -0.159 0.000 0.779 251 G N -0.750 107.952 108.800 -0.162 0.000 2.422 251 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.218 251 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.218 251 G C 1.347 176.220 174.900 -0.046 0.000 1.140 251 G CA 1.511 46.573 45.100 -0.064 0.000 0.775 251 G HN 0.382 nan 8.290 nan 0.000 0.545 252 T N -3.303 111.212 114.554 -0.064 0.000 3.001 252 T HA 0.134 4.483 4.350 -0.001 0.000 0.251 252 T C 1.199 175.872 174.700 -0.045 0.000 1.040 252 T CA 0.624 62.719 62.100 -0.008 0.000 0.985 252 T CB -0.007 68.916 68.868 0.091 0.000 1.011 252 T HN 0.252 nan 8.240 nan 0.000 0.509 253 N N 0.225 118.846 118.700 -0.131 0.000 2.753 253 N HA -0.133 4.607 4.740 -0.001 0.000 0.251 253 N C -0.791 174.747 175.510 0.046 0.000 1.097 253 N CA 0.497 53.531 53.050 -0.027 0.000 0.786 253 N CB -2.013 36.505 38.487 0.051 0.000 1.137 253 N HN 0.648 nan 8.380 nan 0.000 0.566 254 L N 1.100 122.246 121.223 -0.129 0.000 2.325 254 L HA 0.519 4.858 4.340 -0.001 0.000 0.279 254 L C 0.900 177.565 176.870 -0.341 0.000 1.054 254 L CA -1.115 53.564 54.840 -0.269 0.000 0.804 254 L CB 1.082 42.849 42.059 -0.488 0.000 1.200 254 L HN 0.153 nan 8.230 nan 0.000 0.436 255 I N -0.486 119.985 120.570 -0.165 0.000 2.359 255 I HA 0.422 4.591 4.170 -0.001 0.000 0.294 255 I C -1.209 174.865 176.117 -0.071 0.000 0.987 255 I CA -0.633 60.704 61.300 0.061 0.000 1.225 255 I CB 0.898 39.059 38.000 0.268 0.000 1.366 255 I HN 0.326 nan 8.210 nan 0.000 0.466 256 Y N 6.744 127.267 120.300 0.372 0.000 2.360 256 Y HA 0.762 5.311 4.550 -0.001 0.000 0.337 256 Y C -0.151 175.967 175.900 0.363 0.000 1.039 256 Y CA -0.694 57.538 58.100 0.221 0.000 1.109 256 Y CB 1.480 40.027 38.460 0.145 0.000 1.201 256 Y HN 0.698 nan 8.280 nan 0.000 0.458 257 F N -1.102 118.960 119.950 0.187 0.000 2.842 257 F HA 0.834 5.361 4.527 -0.001 0.000 0.319 257 F C -0.789 175.012 175.800 0.001 0.000 1.159 257 F CA -1.619 56.397 58.000 0.027 0.000 0.902 257 F CB 0.876 39.844 39.000 -0.053 0.000 1.311 257 F HN 0.634 nan 8.300 nan 0.000 0.453 258 G N 0.099 108.937 108.800 0.063 0.000 2.453 258 G HA2 0.606 4.566 3.960 -0.001 0.000 0.323 258 G HA3 0.606 4.566 3.960 -0.001 0.000 0.323 258 G C -1.248 173.759 174.900 0.178 0.000 1.198 258 G CA -0.651 44.448 45.100 -0.001 0.000 0.959 258 G HN 0.961 nan 8.290 nan 0.000 0.482 259 T N -0.745 113.929 114.554 0.200 0.000 2.907 259 T HA 0.677 5.027 4.350 -0.001 0.000 0.284 259 T C 0.973 175.780 174.700 0.178 0.000 1.004 259 T CA -0.015 62.244 62.100 0.265 0.000 1.063 259 T CB 1.738 70.847 68.868 0.401 0.000 0.992 259 T HN 0.757 nan 8.240 nan 0.000 0.483 260 G N 1.811 110.724 108.800 0.187 0.000 2.525 260 G HA2 0.298 4.258 3.960 -0.001 0.000 0.276 260 G HA3 0.298 4.258 3.960 -0.001 0.000 0.276 260 G C 0.241 175.292 174.900 0.252 0.000 1.388 260 G CA -0.960 44.274 45.100 0.224 0.000 1.050 260 G HN 1.032 nan 8.290 nan 0.000 0.520 261 N N 0.760 119.622 118.700 0.269 0.000 2.482 261 N HA 0.220 4.960 4.740 -0.001 0.000 0.260 261 N C -2.691 172.964 175.510 0.242 0.000 1.236 261 N CA -1.078 52.095 53.050 0.205 0.000 0.938 261 N CB 1.294 39.858 38.487 0.128 0.000 1.128 261 N HN 0.180 nan 8.380 nan 0.000 0.448 262 P HA 0.238 nan 4.420 nan 0.000 0.276 262 P C -1.133 176.343 177.300 0.293 0.000 1.244 262 P CA -0.440 62.845 63.100 0.308 0.000 0.801 262 P CB 0.948 32.771 31.700 0.205 0.000 1.006 263 A N 2.943 125.986 122.820 0.371 0.000 2.350 263 A HA 0.746 5.065 4.320 -0.001 0.000 0.324 263 A C -2.381 175.376 177.584 0.288 0.000 1.118 263 A CA -1.943 50.296 52.037 0.337 0.000 0.783 263 A CB 0.822 20.082 19.000 0.434 0.000 1.236 263 A HN 0.395 nan 8.150 nan 0.000 0.457 264 P HA 0.160 nan 4.420 nan 0.000 0.293 264 P C -0.022 177.332 177.300 0.091 0.000 1.304 264 P CA -0.358 62.544 63.100 -0.329 0.000 0.767 264 P CB 0.532 31.622 31.700 -1.016 0.000 1.247 265 W N -1.169 120.022 121.300 -0.182 0.000 2.467 265 W HA 0.017 4.677 4.660 -0.000 0.000 0.275 265 W C 1.127 177.667 176.519 0.035 0.000 1.239 265 W CA 0.509 57.864 57.345 0.017 0.000 1.266 265 W CB -1.832 27.652 29.460 0.041 0.000 1.112 265 W HN 0.287 nan 8.180 nan 0.000 0.576 266 N N 2.146 120.895 118.700 0.082 0.000 2.406 266 N HA -0.075 4.664 4.740 -0.001 0.000 0.274 266 N C 1.188 176.698 175.510 -0.001 0.000 1.249 266 N CA 0.612 53.676 53.050 0.024 0.000 0.951 266 N CB 0.664 39.075 38.487 -0.127 0.000 1.241 266 N HN 0.322 nan 8.380 nan 0.000 0.485 267 E N 1.668 121.851 120.200 -0.028 0.000 2.204 267 E HA -0.134 4.216 4.350 -0.001 0.000 0.195 267 E C 0.972 177.595 176.600 0.039 0.000 0.990 267 E CA 1.597 57.918 56.400 -0.132 0.000 0.821 267 E CB -0.507 29.013 29.700 -0.300 0.000 0.750 267 E HN 0.476 nan 8.360 nan 0.000 0.477 268 T N 0.414 114.998 114.554 0.050 0.000 3.007 268 T HA 0.013 4.363 4.350 -0.001 0.000 0.270 268 T C 1.384 176.128 174.700 0.074 0.000 1.107 268 T CA 1.260 63.400 62.100 0.068 0.000 1.118 268 T CB -0.178 68.725 68.868 0.058 0.000 0.889 268 T HN 0.222 nan 8.240 nan 0.000 0.506 269 M N 1.099 120.740 119.600 0.068 0.000 2.495 269 M HA 0.151 4.631 4.480 -0.001 0.000 0.237 269 M C 0.449 176.832 176.300 0.138 0.000 1.131 269 M CA 0.432 55.788 55.300 0.093 0.000 1.032 269 M CB 0.316 32.960 32.600 0.073 0.000 1.513 269 M HN 0.160 nan 8.290 nan 0.000 0.488 270 R N -0.013 120.571 120.500 0.141 0.000 2.754 270 R HA 0.362 4.701 4.340 -0.001 0.000 0.255 270 R C -3.127 173.260 176.300 0.146 0.000 1.723 270 R CA -1.385 54.825 56.100 0.183 0.000 1.596 270 R CB -0.291 30.145 30.300 0.228 0.000 1.424 270 R HN -0.142 nan 8.270 nan 0.000 0.662 271 P HA 0.264 nan 4.420 nan 0.000 0.268 271 P C 0.253 177.504 177.300 -0.083 0.000 1.205 271 P CA 0.876 63.965 63.100 -0.018 0.000 0.771 271 P CB 1.268 32.953 31.700 -0.024 0.000 0.858 272 G N 2.330 111.002 108.800 -0.213 0.000 2.459 272 G HA2 -0.119 3.841 3.960 -0.001 0.000 0.685 272 G HA3 -0.119 3.841 3.960 -0.001 0.000 0.685 272 G C -0.004 174.741 174.900 -0.259 0.000 1.303 272 G CA -0.528 44.428 45.100 -0.239 0.000 0.907 272 G HN 0.332 nan 8.290 nan 0.000 0.632 273 D N 0.139 120.362 120.400 -0.294 0.000 2.350 273 D HA -0.015 4.625 4.640 -0.001 0.000 0.216 273 D C 1.440 177.482 176.300 -0.429 0.000 0.968 273 D CA 1.113 54.948 54.000 -0.276 0.000 0.894 273 D CB -0.314 40.322 40.800 -0.272 0.000 0.909 273 D HN 0.731 nan 8.370 nan 0.000 0.520 274 N N 0.134 118.362 118.700 -0.788 0.000 2.725 274 N HA -0.212 4.528 4.740 -0.001 0.000 0.251 274 N C -0.494 174.709 175.510 -0.512 0.000 1.031 274 N CA 0.192 52.417 53.050 -1.374 0.000 0.720 274 N CB -0.836 36.980 38.487 -1.118 0.000 0.930 274 N HN 0.233 nan 8.380 nan 0.000 0.543 275 K N -0.404 119.741 120.400 -0.424 0.000 2.469 275 K HA -0.124 4.196 4.320 -0.001 0.000 0.274 275 K C 0.251 176.787 176.600 -0.107 0.000 0.983 275 K CA 1.038 57.046 56.287 -0.465 0.000 0.974 275 K CB 0.134 31.975 32.500 -1.098 0.000 0.913 275 K HN 0.460 nan 8.250 nan 0.000 0.493 276 W N -1.472 119.953 121.300 0.208 0.000 1.619 276 W HA -0.287 4.373 4.660 -0.000 0.000 0.250 276 W C 0.504 177.200 176.519 0.294 0.000 1.014 276 W CA 0.274 57.779 57.345 0.268 0.000 0.427 276 W CB -2.288 27.426 29.460 0.424 0.000 2.027 276 W HN 0.628 nan 8.180 nan 0.000 1.216 277 T N -1.500 113.276 114.554 0.370 0.000 2.913 277 T HA 0.518 4.868 4.350 -0.001 0.000 0.287 277 T C 0.896 175.704 174.700 0.180 0.000 1.008 277 T CA 0.207 62.495 62.100 0.314 0.000 1.067 277 T CB 1.227 70.274 68.868 0.298 0.000 0.996 277 T HN 0.290 nan 8.240 nan 0.000 0.513 278 M N -0.329 119.367 119.600 0.160 0.000 2.537 278 M HA -0.147 4.333 4.480 -0.001 0.000 0.205 278 M C 0.254 176.538 176.300 -0.026 0.000 0.450 278 M CA 1.151 56.498 55.300 0.078 0.000 0.553 278 M CB -3.380 29.256 32.600 0.059 0.000 2.046 278 M HN 1.179 nan 8.290 nan 0.000 0.797 279 T N -1.579 112.971 114.554 -0.007 0.000 2.876 279 T HA 0.796 5.146 4.350 -0.001 0.000 0.289 279 T C 0.016 174.544 174.700 -0.288 0.000 1.014 279 T CA -0.884 61.097 62.100 -0.198 0.000 0.986 279 T CB 2.255 71.006 68.868 -0.194 0.000 1.021 279 T HN 0.262 nan 8.240 nan 0.000 0.458 280 I N 3.754 124.122 120.570 -0.337 0.000 2.379 280 I HA 0.316 4.486 4.170 -0.001 0.000 0.290 280 I C -0.472 175.416 176.117 -0.382 0.000 1.063 280 I CA -0.429 60.688 61.300 -0.305 0.000 1.351 280 I CB 0.075 37.972 38.000 -0.172 0.000 1.410 280 I HN 0.548 nan 8.210 nan 0.000 0.505 281 F N 3.308 122.964 119.950 -0.490 0.000 2.483 281 F HA 0.675 5.201 4.527 -0.001 0.000 0.329 281 F C 0.808 176.166 175.800 -0.736 0.000 1.064 281 F CA -0.582 57.037 58.000 -0.634 0.000 0.986 281 F CB 2.088 40.588 39.000 -0.834 0.000 1.218 281 F HN 0.371 nan 8.300 nan 0.000 0.484 282 G N 2.466 110.853 108.800 -0.687 0.000 2.782 282 G HA2 0.568 4.528 3.960 -0.001 0.000 0.289 282 G HA3 0.568 4.528 3.960 -0.001 0.000 0.289 282 G C -1.252 173.384 174.900 -0.439 0.000 1.463 282 G CA -0.659 43.944 45.100 -0.830 0.000 1.019 282 G HN 0.502 nan 8.290 nan 0.000 0.536 283 R N 1.409 121.761 120.500 -0.247 0.000 2.637 283 R HA 0.292 4.632 4.340 -0.001 0.000 0.291 283 R C -1.074 175.127 176.300 -0.165 0.000 0.963 283 R CA -0.892 55.102 56.100 -0.178 0.000 0.901 283 R CB 2.388 32.635 30.300 -0.087 0.000 1.160 283 R HN 0.616 nan 8.270 nan 0.000 0.457 284 D N 1.118 121.391 120.400 -0.211 0.000 2.425 284 D HA 0.068 4.708 4.640 -0.001 0.000 0.247 284 D C 1.034 177.270 176.300 -0.106 0.000 1.147 284 D CA 0.231 54.144 54.000 -0.145 0.000 0.879 284 D CB 1.297 41.997 40.800 -0.166 0.000 1.179 284 D HN 0.575 nan 8.370 nan 0.000 0.456 285 A N 3.901 126.758 122.820 0.062 0.000 1.933 285 A HA -0.186 4.133 4.320 -0.001 0.000 0.218 285 A C 1.670 179.399 177.584 0.242 0.000 1.175 285 A CA 1.454 53.592 52.037 0.167 0.000 0.628 285 A CB -0.210 18.868 19.000 0.130 0.000 0.814 285 A HN 0.732 nan 8.150 nan 0.000 0.444 286 D N -1.296 119.169 120.400 0.109 0.000 2.240 286 D HA -0.051 4.588 4.640 -0.001 0.000 0.206 286 D C 1.952 178.277 176.300 0.043 0.000 0.963 286 D CA 1.870 55.944 54.000 0.123 0.000 0.863 286 D CB -0.147 40.687 40.800 0.056 0.000 0.973 286 D HN 0.640 nan 8.370 nan 0.000 0.501 287 T N -3.727 110.676 114.554 -0.251 0.000 2.971 287 T HA 0.352 4.701 4.350 -0.001 0.000 0.252 287 T C 1.694 175.716 174.700 -1.129 0.000 1.022 287 T CA 0.754 62.584 62.100 -0.450 0.000 0.980 287 T CB 0.999 69.702 68.868 -0.276 0.000 1.044 287 T HN 0.147 nan 8.240 nan 0.000 0.501 288 G N 1.682 109.559 108.800 -1.539 0.000 2.162 288 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.260 288 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.260 288 G C -0.231 174.068 174.900 -1.001 0.000 0.976 288 G CA 0.148 43.927 45.100 -2.201 0.000 0.655 288 G HN 0.678 nan 8.290 nan 0.000 0.533 289 E N 0.659 120.491 120.200 -0.614 0.000 2.344 289 E HA 0.479 4.829 4.350 -0.001 0.000 0.270 289 E C 0.728 177.162 176.600 -0.278 0.000 1.021 289 E CA 0.172 56.348 56.400 -0.374 0.000 0.887 289 E CB 0.954 30.506 29.700 -0.247 0.000 0.997 289 E HN 0.612 nan 8.360 nan 0.000 0.429 290 A N 3.833 126.506 122.820 -0.244 0.000 2.404 290 A HA 0.045 4.365 4.320 -0.001 0.000 0.273 290 A C 0.800 178.475 177.584 0.153 0.000 1.144 290 A CA -0.071 51.911 52.037 -0.090 0.000 0.806 290 A CB 0.330 19.248 19.000 -0.136 0.000 1.080 290 A HN 0.651 nan 8.150 nan 0.000 0.509 291 K N 1.211 121.671 120.400 0.100 0.000 2.166 291 K HA 0.151 4.470 4.320 -0.001 0.000 0.201 291 K C -0.327 176.434 176.600 0.267 0.000 1.052 291 K CA 0.984 57.373 56.287 0.169 0.000 0.969 291 K CB 0.089 32.659 32.500 0.116 0.000 0.761 291 K HN 0.828 nan 8.250 nan 0.000 0.459 292 F N -2.149 117.892 119.950 0.151 0.000 2.668 292 F HA 0.632 5.159 4.527 -0.001 0.000 0.309 292 F C -0.856 174.977 175.800 0.056 0.000 1.117 292 F CA -1.292 56.674 58.000 -0.057 0.000 0.951 292 F CB 1.396 40.368 39.000 -0.047 0.000 1.323 292 F HN -0.162 nan 8.300 nan 0.000 0.451 293 G N 1.431 110.277 108.800 0.077 0.000 2.618 293 G HA2 0.446 4.405 3.960 -0.001 0.000 0.280 293 G HA3 0.446 4.405 3.960 -0.001 0.000 0.280 293 G C -2.859 171.986 174.900 -0.092 0.000 1.458 293 G CA -0.675 44.229 45.100 -0.326 0.000 1.224 293 G HN 0.962 nan 8.290 nan 0.000 0.576 294 Y N 2.450 122.588 120.300 -0.270 0.000 2.334 294 Y HA 0.563 5.113 4.550 -0.000 0.000 0.336 294 Y C 0.279 175.973 175.900 -0.343 0.000 0.960 294 Y CA -0.982 56.830 58.100 -0.480 0.000 1.164 294 Y CB 1.701 39.731 38.460 -0.716 0.000 1.155 294 Y HN 0.521 nan 8.280 nan 0.000 0.478 295 Q N 6.186 125.495 119.800 -0.818 0.000 2.323 295 Q HA 0.153 4.492 4.340 -0.001 0.000 0.257 295 Q C 0.287 175.632 176.000 -1.092 0.000 1.022 295 Q CA -0.029 55.356 55.803 -0.696 0.000 0.919 295 Q CB 0.920 29.409 28.738 -0.415 0.000 1.220 295 Q HN 0.910 nan 8.270 nan 0.000 0.427 296 K N 1.515 121.441 120.400 -0.790 0.000 2.062 296 K HA 0.009 4.328 4.320 -0.001 0.000 0.205 296 K C 0.092 176.577 176.600 -0.193 0.000 1.051 296 K CA 1.069 57.015 56.287 -0.567 0.000 0.941 296 K CB 0.454 32.711 32.500 -0.406 0.000 0.719 296 K HN 0.422 nan 8.250 nan 0.000 0.440 297 T N 3.059 117.574 114.554 -0.066 0.000 3.150 297 T HA 0.274 4.623 4.350 -0.001 0.000 0.383 297 T C -2.736 172.001 174.700 0.063 0.000 1.313 297 T CA -1.598 60.592 62.100 0.149 0.000 1.235 297 T CB 1.559 70.652 68.868 0.374 0.000 1.088 297 T HN -0.151 nan 8.240 nan 0.000 0.556 298 P HA 0.093 nan 4.420 nan 0.000 0.271 298 P C 0.245 177.572 177.300 0.045 0.000 1.216 298 P CA 0.019 63.086 63.100 -0.056 0.000 0.771 298 P CB 0.132 31.780 31.700 -0.087 0.000 0.864 299 H N 1.098 120.066 119.070 -0.169 0.000 2.604 299 H HA -0.247 4.309 4.556 -0.001 0.000 0.324 299 H C -0.344 174.865 175.328 -0.199 0.000 1.068 299 H CA -0.005 55.918 56.048 -0.209 0.000 1.091 299 H CB -0.704 28.939 29.762 -0.199 0.000 1.611 299 H HN 0.499 nan 8.280 nan 0.000 0.387 300 D N 1.827 122.029 120.400 -0.330 0.000 2.488 300 D HA -0.009 4.631 4.640 -0.001 0.000 0.238 300 D C 0.876 176.693 176.300 -0.805 0.000 1.138 300 D CA 0.853 54.644 54.000 -0.349 0.000 0.873 300 D CB 0.605 41.311 40.800 -0.156 0.000 1.183 300 D HN 0.677 nan 8.370 nan 0.000 0.458 301 E N 2.644 122.022 120.200 -1.370 0.000 2.676 301 E HA 0.134 4.483 4.350 -0.001 0.000 0.222 301 E C -0.092 175.265 176.600 -2.073 0.000 0.968 301 E CA -0.272 55.080 56.400 -1.748 0.000 1.090 301 E CB 0.614 29.012 29.700 -2.169 0.000 1.066 301 E HN 0.637 nan 8.360 nan 0.000 0.496 302 W N 0.413 121.102 121.300 -1.018 0.000 2.036 302 W HA 0.169 4.829 4.660 -0.001 0.000 0.298 302 W C -0.091 175.899 176.519 -0.880 0.000 0.885 302 W CA -0.503 56.038 57.345 -1.341 0.000 1.488 302 W CB 0.356 28.793 29.460 -1.706 0.000 1.079 302 W HN 0.050 nan 8.180 nan 0.000 0.506 303 D N 1.105 121.213 120.400 -0.486 0.000 2.699 303 D HA -0.268 4.371 4.640 -0.001 0.000 0.239 303 D C -0.438 175.852 176.300 -0.017 0.000 1.136 303 D CA 0.880 54.613 54.000 -0.444 0.000 0.668 303 D CB -1.778 38.386 40.800 -1.060 0.000 1.060 303 D HN 0.430 nan 8.370 nan 0.000 0.429 304 Y N -0.113 120.236 120.300 0.082 0.000 2.955 304 Y HA 0.473 5.022 4.550 -0.000 0.000 0.386 304 Y C 1.565 177.549 175.900 0.140 0.000 1.069 304 Y CA -0.823 57.353 58.100 0.126 0.000 1.764 304 Y CB -0.117 38.414 38.460 0.119 0.000 1.646 304 Y HN 0.359 nan 8.280 nan 0.000 0.486 305 A N 0.878 123.883 122.820 0.308 0.000 2.573 305 A HA -0.084 4.236 4.320 -0.001 0.000 0.266 305 A C 1.455 179.147 177.584 0.181 0.000 1.007 305 A CA 0.876 53.082 52.037 0.281 0.000 0.878 305 A CB -0.341 18.932 19.000 0.456 0.000 0.886 305 A HN 0.804 nan 8.150 nan 0.000 0.507 306 G N 1.848 110.734 108.800 0.144 0.000 3.375 306 G HA2 0.280 4.240 3.960 -0.001 0.000 0.247 306 G HA3 0.280 4.240 3.960 -0.001 0.000 0.247 306 G C 0.811 175.751 174.900 0.067 0.000 1.343 306 G CA 0.535 45.705 45.100 0.116 0.000 1.368 306 G HN 1.650 nan 8.290 nan 0.000 0.549 307 V N -3.074 116.771 119.914 -0.115 0.000 3.649 307 V HA 0.171 4.290 4.120 -0.001 0.000 0.275 307 V C 0.611 176.609 176.094 -0.161 0.000 1.281 307 V CA -0.998 61.124 62.300 -0.296 0.000 1.143 307 V CB -0.881 30.345 31.823 -0.994 0.000 0.892 307 V HN 0.119 nan 8.190 nan 0.000 0.441 308 N N 1.227 119.926 118.700 -0.000 0.000 2.267 308 N HA 0.095 4.834 4.740 -0.001 0.000 0.226 308 N C 0.040 175.681 175.510 0.219 0.000 1.314 308 N CA 0.232 53.302 53.050 0.033 0.000 0.887 308 N CB 0.593 38.950 38.487 -0.217 0.000 1.120 308 N HN 0.258 nan 8.380 nan 0.000 0.440 309 V N 1.482 121.502 119.914 0.177 0.000 2.814 309 V HA -0.063 4.057 4.120 -0.001 0.000 0.307 309 V C -0.062 176.106 176.094 0.122 0.000 1.089 309 V CA 0.452 62.799 62.300 0.077 0.000 1.212 309 V CB -0.027 31.605 31.823 -0.317 0.000 0.912 309 V HN 0.395 nan 8.190 nan 0.000 0.497 310 M N 8.132 127.794 119.600 0.103 0.000 2.167 310 M HA 0.504 4.984 4.480 -0.001 0.000 0.333 310 M C -0.687 175.658 176.300 0.075 0.000 1.030 310 M CA -0.015 55.351 55.300 0.109 0.000 0.963 310 M CB 1.318 34.014 32.600 0.160 0.000 1.589 310 M HN 0.570 nan 8.290 nan 0.000 0.431 311 M N 4.917 124.545 119.600 0.047 0.000 2.134 311 M HA 0.533 5.013 4.480 -0.001 0.000 0.310 311 M C -0.804 175.530 176.300 0.057 0.000 0.966 311 M CA -0.428 54.938 55.300 0.111 0.000 0.922 311 M CB 1.951 34.693 32.600 0.237 0.000 1.537 311 M HN 0.490 nan 8.290 nan 0.000 0.424 312 L N 2.557 123.809 121.223 0.048 0.000 2.350 312 L HA 0.729 5.069 4.340 -0.001 0.000 0.275 312 L C 0.328 177.131 176.870 -0.113 0.000 1.099 312 L CA -0.337 54.483 54.840 -0.033 0.000 0.808 312 L CB 1.298 43.370 42.059 0.021 0.000 1.149 312 L HN 0.848 nan 8.230 nan 0.000 0.442 313 S N 0.986 116.588 115.700 -0.164 0.000 2.625 313 S HA 0.549 5.019 4.470 -0.001 0.000 0.271 313 S C -1.196 173.340 174.600 -0.106 0.000 1.161 313 S CA -1.064 57.001 58.200 -0.226 0.000 0.820 313 S CB 2.315 65.160 63.200 -0.592 0.000 1.137 313 S HN 0.611 nan 8.310 nan 0.000 0.470 314 E N 0.642 120.807 120.200 -0.059 0.000 2.255 314 E HA 0.445 4.795 4.350 -0.001 0.000 0.256 314 E C -1.240 175.346 176.600 -0.023 0.000 0.887 314 E CA -0.420 55.959 56.400 -0.035 0.000 0.782 314 E CB 1.945 31.637 29.700 -0.013 0.000 1.214 314 E HN 0.569 nan 8.360 nan 0.000 0.417 315 Q N 1.473 121.252 119.800 -0.035 0.000 2.495 315 Q HA 0.423 4.762 4.340 -0.001 0.000 0.287 315 Q C -0.955 175.022 176.000 -0.038 0.000 1.078 315 Q CA -1.030 54.756 55.803 -0.029 0.000 0.793 315 Q CB 2.733 31.454 28.738 -0.028 0.000 1.459 315 Q HN 0.183 nan 8.270 nan 0.000 0.422 316 K N 1.803 122.180 120.400 -0.038 0.000 2.234 316 K HA 0.118 4.438 4.320 -0.001 0.000 0.282 316 K C -0.471 176.099 176.600 -0.049 0.000 1.039 316 K CA -0.439 55.824 56.287 -0.041 0.000 0.928 316 K CB 0.542 33.020 32.500 -0.037 0.000 1.039 316 K HN 0.538 nan 8.250 nan 0.000 0.470 317 D N 1.959 122.328 120.400 -0.052 0.000 2.325 317 D HA -0.016 4.624 4.640 -0.001 0.000 0.262 317 D C 0.558 176.825 176.300 -0.054 0.000 1.263 317 D CA -0.065 53.900 54.000 -0.058 0.000 1.020 317 D CB 0.489 41.253 40.800 -0.061 0.000 1.117 317 D HN 0.259 nan 8.370 nan 0.000 0.545 318 K N -1.093 119.274 120.400 -0.056 0.000 2.283 318 K HA -0.063 4.257 4.320 -0.001 0.000 0.202 318 K C 0.526 177.100 176.600 -0.043 0.000 1.048 318 K CA 1.052 57.309 56.287 -0.050 0.000 0.948 318 K CB -0.056 32.414 32.500 -0.051 0.000 0.742 318 K HN 0.389 nan 8.250 nan 0.000 0.458 319 D N -0.382 119.993 120.400 -0.043 0.000 2.328 319 D HA 0.047 4.686 4.640 -0.001 0.000 0.221 319 D C 1.017 177.296 176.300 -0.035 0.000 1.072 319 D CA 0.548 54.526 54.000 -0.038 0.000 0.850 319 D CB 0.832 41.608 40.800 -0.039 0.000 0.922 319 D HN 0.366 nan 8.370 nan 0.000 0.516 320 G N 1.478 110.256 108.800 -0.037 0.000 2.179 320 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.260 320 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.260 320 G C 0.261 175.141 174.900 -0.033 0.000 0.977 320 G CA -0.152 44.928 45.100 -0.033 0.000 0.641 320 G HN 0.301 nan 8.290 nan 0.000 0.533 321 K N 0.818 121.196 120.400 -0.037 0.000 2.276 321 K HA 0.597 4.917 4.320 -0.001 0.000 0.283 321 K C 0.604 177.182 176.600 -0.038 0.000 1.044 321 K CA 0.220 56.485 56.287 -0.037 0.000 0.944 321 K CB 1.384 33.859 32.500 -0.041 0.000 1.012 321 K HN 0.476 nan 8.250 nan 0.000 0.472 322 A N 4.795 127.596 122.820 -0.033 0.000 2.396 322 A HA 0.165 4.485 4.320 -0.001 0.000 0.279 322 A C -0.172 177.390 177.584 -0.037 0.000 1.165 322 A CA -0.462 51.556 52.037 -0.032 0.000 0.824 322 A CB 0.183 19.168 19.000 -0.024 0.000 1.100 322 A HN 0.567 nan 8.150 nan 0.000 0.516 323 R N 2.239 122.712 120.500 -0.044 0.000 2.720 323 R HA 0.491 4.831 4.340 -0.001 0.000 0.272 323 R C -0.915 175.353 176.300 -0.053 0.000 0.991 323 R CA -0.921 55.147 56.100 -0.053 0.000 1.010 323 R CB 1.000 31.260 30.300 -0.067 0.000 1.141 323 R HN 0.467 nan 8.270 nan 0.000 0.494 324 K N 2.729 123.095 120.400 -0.056 0.000 2.281 324 K HA 0.449 4.769 4.320 -0.001 0.000 0.272 324 K C 0.014 176.559 176.600 -0.090 0.000 1.048 324 K CA -0.307 55.947 56.287 -0.056 0.000 0.898 324 K CB 0.671 33.151 32.500 -0.033 0.000 1.128 324 K HN 0.423 nan 8.250 nan 0.000 0.460 325 L N 2.526 123.686 121.223 -0.106 0.000 2.286 325 L HA 0.634 4.974 4.340 -0.001 0.000 0.265 325 L C -0.446 176.321 176.870 -0.172 0.000 1.012 325 L CA -1.611 53.147 54.840 -0.136 0.000 0.818 325 L CB 1.039 43.032 42.059 -0.110 0.000 1.337 325 L HN 0.338 nan 8.230 nan 0.000 0.438 326 L N -1.741 119.370 121.223 -0.187 0.000 2.431 326 L HA 0.812 5.152 4.340 -0.001 0.000 0.266 326 L C -0.738 176.042 176.870 -0.149 0.000 0.978 326 L CA -0.205 54.521 54.840 -0.190 0.000 0.822 326 L CB 1.887 43.774 42.059 -0.286 0.000 1.310 326 L HN 0.354 nan 8.230 nan 0.000 0.409 327 T N 2.238 116.691 114.554 -0.168 0.000 2.824 327 T HA 0.486 4.836 4.350 -0.001 0.000 0.282 327 T C -1.293 173.311 174.700 -0.160 0.000 0.993 327 T CA -0.215 61.711 62.100 -0.291 0.000 0.967 327 T CB 0.620 68.990 68.868 -0.830 0.000 0.960 327 T HN 0.804 nan 8.240 nan 0.000 0.441 328 H N 4.479 123.419 119.070 -0.217 0.000 3.177 328 H HA 0.274 4.829 4.556 -0.000 0.000 0.314 328 H C -2.988 172.254 175.328 -0.143 0.000 1.059 328 H CA -2.050 53.907 56.048 -0.152 0.000 1.515 328 H CB 2.041 31.772 29.762 -0.051 0.000 1.672 328 H HN 0.300 nan 8.280 nan 0.000 0.514 329 P HA 0.106 nan 4.420 nan 0.000 0.280 329 P C -0.332 176.604 177.300 -0.607 0.000 1.300 329 P CA -0.018 62.761 63.100 -0.534 0.000 0.785 329 P CB 1.421 32.728 31.700 -0.654 0.000 0.874 330 D N 2.324 122.507 120.400 -0.361 0.000 2.387 330 D HA 0.144 4.784 4.640 -0.001 0.000 0.251 330 D C 1.683 177.905 176.300 -0.130 0.000 1.141 330 D CA -0.639 53.211 54.000 -0.250 0.000 0.987 330 D CB 1.093 41.910 40.800 0.030 0.000 1.116 330 D HN 0.047 nan 8.370 nan 0.000 0.491 331 R N 0.666 121.125 120.500 -0.068 0.000 2.096 331 R HA -0.119 4.221 4.340 -0.001 0.000 0.235 331 R C 1.376 177.403 176.300 -0.455 0.000 1.127 331 R CA 1.008 57.076 56.100 -0.053 0.000 0.968 331 R CB -0.786 29.605 30.300 0.152 0.000 0.861 331 R HN 0.577 nan 8.270 nan 0.000 0.440 332 N N 0.113 118.451 118.700 -0.604 0.000 2.609 332 N HA -0.077 4.663 4.740 -0.001 0.000 0.190 332 N C 1.020 176.055 175.510 -0.792 0.000 1.157 332 N CA 1.272 53.611 53.050 -1.185 0.000 0.918 332 N CB -0.144 38.105 38.487 -0.396 0.000 0.978 332 N HN 0.327 nan 8.380 nan 0.000 0.448 333 G N -1.163 107.352 108.800 -0.476 0.000 2.175 333 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.244 333 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.244 333 G C -0.420 174.351 174.900 -0.214 0.000 0.982 333 G CA 0.220 45.120 45.100 -0.333 0.000 0.641 333 G HN 0.296 nan 8.290 nan 0.000 0.527 334 I N 1.410 121.841 120.570 -0.233 0.000 2.433 334 I HA 0.501 4.671 4.170 -0.001 0.000 0.292 334 I C 0.494 176.335 176.117 -0.460 0.000 1.001 334 I CA -1.261 59.819 61.300 -0.366 0.000 1.119 334 I CB 1.698 39.368 38.000 -0.550 0.000 1.289 334 I HN -0.085 nan 8.210 nan 0.000 0.438 335 V N 6.816 126.454 119.914 -0.460 0.000 2.383 335 V HA 0.334 4.454 4.120 -0.001 0.000 0.275 335 V C -0.661 175.198 176.094 -0.393 0.000 1.036 335 V CA -0.672 61.389 62.300 -0.398 0.000 0.889 335 V CB 0.453 31.979 31.823 -0.494 0.000 0.985 335 V HN 0.418 nan 8.190 nan 0.000 0.459 336 Y N 1.821 122.058 120.300 -0.105 0.000 2.360 336 Y HA 0.617 5.167 4.550 -0.001 0.000 0.337 336 Y C 0.716 176.554 175.900 -0.103 0.000 1.039 336 Y CA -0.591 57.470 58.100 -0.065 0.000 1.109 336 Y CB 2.078 40.546 38.460 0.013 0.000 1.201 336 Y HN 0.546 nan 8.280 nan 0.000 0.458 337 T N 5.292 119.861 114.554 0.025 0.000 2.847 337 T HA 0.615 4.964 4.350 -0.001 0.000 0.291 337 T C -0.675 173.974 174.700 -0.085 0.000 0.998 337 T CA -0.669 61.394 62.100 -0.063 0.000 0.967 337 T CB 0.291 69.103 68.868 -0.094 0.000 0.954 337 T HN 0.367 nan 8.240 nan 0.000 0.441 338 L N 1.729 122.879 121.223 -0.120 0.000 2.323 338 L HA 0.598 4.938 4.340 -0.001 0.000 0.265 338 L C 0.031 176.786 176.870 -0.193 0.000 1.012 338 L CA -1.255 53.479 54.840 -0.177 0.000 0.820 338 L CB 1.606 43.533 42.059 -0.219 0.000 1.334 338 L HN 0.507 nan 8.230 nan 0.000 0.427 339 D N 1.380 121.648 120.400 -0.221 0.000 2.343 339 D HA 0.032 4.671 4.640 -0.001 0.000 0.255 339 D C 1.023 177.175 176.300 -0.247 0.000 1.187 339 D CA -0.252 53.628 54.000 -0.200 0.000 0.875 339 D CB 1.230 41.919 40.800 -0.186 0.000 1.136 339 D HN 0.571 nan 8.370 nan 0.000 0.469 340 R N 1.728 122.121 120.500 -0.178 0.000 2.316 340 R HA -0.084 4.255 4.340 -0.001 0.000 0.202 340 R C 1.383 177.769 176.300 0.142 0.000 1.029 340 R CA 1.308 57.339 56.100 -0.115 0.000 1.018 340 R CB -0.356 29.740 30.300 -0.340 0.000 0.888 340 R HN 0.395 nan 8.270 nan 0.000 0.471 341 T N -1.538 113.026 114.554 0.016 0.000 2.976 341 T HA -0.040 4.309 4.350 -0.001 0.000 0.257 341 T C 1.081 175.800 174.700 0.031 0.000 1.051 341 T CA 0.854 63.002 62.100 0.079 0.000 1.141 341 T CB 0.097 68.977 68.868 0.019 0.000 0.881 341 T HN 0.512 nan 8.240 nan 0.000 0.461 342 D N -0.645 119.641 120.400 -0.190 0.000 2.514 342 D HA 0.319 4.958 4.640 -0.001 0.000 0.225 342 D C 1.525 177.408 176.300 -0.694 0.000 1.159 342 D CA 0.411 54.242 54.000 -0.282 0.000 0.823 342 D CB -0.334 40.357 40.800 -0.182 0.000 1.097 342 D HN 0.599 nan 8.370 nan 0.000 0.519 343 G N 0.087 108.240 108.800 -1.079 0.000 2.141 343 G HA2 -0.096 3.864 3.960 -0.001 0.000 0.242 343 G HA3 -0.096 3.864 3.960 -0.001 0.000 0.242 343 G C 0.512 175.166 174.900 -0.411 0.000 0.982 343 G CA -0.010 44.384 45.100 -1.176 0.000 0.662 343 G HN 0.848 nan 8.290 nan 0.000 0.527 344 A N 0.230 122.852 122.820 -0.330 0.000 2.488 344 A HA 0.599 4.919 4.320 -0.001 0.000 0.249 344 A C 0.834 178.318 177.584 -0.167 0.000 1.083 344 A CA 0.040 51.962 52.037 -0.192 0.000 0.768 344 A CB 0.323 19.219 19.000 -0.172 0.000 1.017 344 A HN 0.956 nan 8.150 nan 0.000 0.496 345 L N 3.659 124.813 121.223 -0.115 0.000 2.462 345 L HA 0.090 4.429 4.340 -0.001 0.000 0.272 345 L C 0.894 177.698 176.870 -0.110 0.000 1.166 345 L CA -0.233 54.512 54.840 -0.158 0.000 0.880 345 L CB 1.025 42.986 42.059 -0.163 0.000 1.142 345 L HN 0.664 nan 8.230 nan 0.000 0.473 346 V N 1.564 121.414 119.914 -0.108 0.000 2.627 346 V HA 0.101 4.221 4.120 -0.001 0.000 0.239 346 V C 0.539 176.588 176.094 -0.075 0.000 1.077 346 V CA 0.893 63.140 62.300 -0.090 0.000 1.103 346 V CB 0.864 32.630 31.823 -0.096 0.000 0.802 346 V HN 0.863 nan 8.190 nan 0.000 0.482 347 S N -0.683 114.975 115.700 -0.070 0.000 2.556 347 S HA 0.835 5.305 4.470 -0.001 0.000 0.271 347 S C -0.847 173.711 174.600 -0.070 0.000 1.135 347 S CA -0.039 58.124 58.200 -0.063 0.000 0.858 347 S CB 2.308 65.472 63.200 -0.060 0.000 1.114 347 S HN 0.854 nan 8.310 nan 0.000 0.468 348 A N 2.324 125.079 122.820 -0.108 0.000 2.876 348 A HA 0.617 4.936 4.320 -0.001 0.000 0.309 348 A C -0.861 176.586 177.584 -0.228 0.000 1.168 348 A CA -0.739 51.142 52.037 -0.261 0.000 0.762 348 A CB 0.070 18.937 19.000 -0.222 0.000 1.262 348 A HN 0.666 nan 8.150 nan 0.000 0.435 349 N N 1.027 119.613 118.700 -0.189 0.000 2.489 349 N HA 0.342 5.082 4.740 -0.001 0.000 0.284 349 N C -0.455 174.967 175.510 -0.147 0.000 1.158 349 N CA -0.311 52.677 53.050 -0.103 0.000 0.965 349 N CB 1.180 39.685 38.487 0.030 0.000 1.195 349 N HN 0.526 nan 8.380 nan 0.000 0.506 350 K N 1.080 121.447 120.400 -0.055 0.000 2.270 350 K HA 0.207 4.527 4.320 -0.001 0.000 0.276 350 K C 1.207 177.806 176.600 -0.002 0.000 1.023 350 K CA -0.236 56.021 56.287 -0.049 0.000 0.955 350 K CB 1.021 33.512 32.500 -0.015 0.000 0.975 350 K HN 0.369 nan 8.250 nan 0.000 0.471 351 L N 1.068 122.271 121.223 -0.033 0.000 2.217 351 L HA -0.099 4.241 4.340 -0.001 0.000 0.211 351 L C 0.367 177.159 176.870 -0.131 0.000 1.107 351 L CA 1.073 55.891 54.840 -0.037 0.000 0.783 351 L CB -0.008 42.065 42.059 0.022 0.000 0.919 351 L HN 0.735 nan 8.230 nan 0.000 0.442 352 D N -2.355 118.039 120.400 -0.011 0.000 2.803 352 D HA 0.043 4.683 4.640 -0.001 0.000 0.218 352 D C -0.079 176.246 176.300 0.043 0.000 1.245 352 D CA -0.503 53.473 54.000 -0.040 0.000 0.821 352 D CB 1.197 41.997 40.800 -0.000 0.000 1.626 352 D HN 0.048 nan 8.370 nan 0.000 0.487 353 D N 0.187 120.591 120.400 0.007 0.000 2.351 353 D HA -0.150 4.489 4.640 -0.001 0.000 0.216 353 D C 1.320 177.639 176.300 0.033 0.000 0.968 353 D CA 1.387 55.399 54.000 0.020 0.000 0.899 353 D CB -0.365 40.442 40.800 0.011 0.000 0.907 353 D HN 0.351 nan 8.370 nan 0.000 0.514 354 T N -2.954 111.655 114.554 0.092 0.000 3.129 354 T HA 0.125 4.475 4.350 -0.001 0.000 0.251 354 T C 1.754 176.439 174.700 -0.024 0.000 1.117 354 T CA -0.071 62.075 62.100 0.077 0.000 1.034 354 T CB -0.299 68.675 68.868 0.176 0.000 0.968 354 T HN 0.029 nan 8.240 nan 0.000 0.526 355 V N 3.278 123.154 119.914 -0.064 0.000 2.215 355 V HA -0.381 3.739 4.120 -0.001 0.000 0.249 355 V C 2.406 178.279 176.094 -0.370 0.000 1.054 355 V CA 2.644 64.772 62.300 -0.287 0.000 1.012 355 V CB -1.137 30.527 31.823 -0.265 0.000 0.639 355 V HN 0.966 nan 8.190 nan 0.000 0.448 356 N N -1.800 116.738 118.700 -0.271 0.000 2.927 356 N HA -0.268 4.472 4.740 -0.001 0.000 0.220 356 N C 0.871 176.210 175.510 -0.285 0.000 0.845 356 N CA 2.047 54.904 53.050 -0.323 0.000 1.089 356 N CB -1.897 36.227 38.487 -0.605 0.000 0.994 356 N HN 0.441 nan 8.380 nan 0.000 0.616 357 V N -0.743 118.899 119.914 -0.453 0.000 2.548 357 V HA 0.291 4.410 4.120 -0.001 0.000 0.249 357 V C 0.518 176.357 176.094 -0.424 0.000 1.055 357 V CA 1.598 63.563 62.300 -0.558 0.000 1.065 357 V CB -0.326 30.810 31.823 -1.145 0.000 0.681 357 V HN 0.332 nan 8.190 nan 0.000 0.462 358 F N -0.478 119.371 119.950 -0.168 0.000 2.540 358 F HA 0.436 4.963 4.527 -0.000 0.000 0.317 358 F C 1.074 176.838 175.800 -0.059 0.000 1.104 358 F CA -0.984 56.961 58.000 -0.091 0.000 0.913 358 F CB 1.882 40.814 39.000 -0.114 0.000 1.170 358 F HN -0.239 nan 8.300 nan 0.000 0.450 359 K N 0.934 121.446 120.400 0.186 0.000 2.103 359 K HA 0.015 4.335 4.320 -0.001 0.000 0.204 359 K C 0.305 176.948 176.600 0.071 0.000 1.052 359 K CA 1.044 57.390 56.287 0.100 0.000 0.945 359 K CB 0.063 32.613 32.500 0.084 0.000 0.722 359 K HN 0.719 nan 8.250 nan 0.000 0.443 360 S N -1.458 114.285 115.700 0.071 0.000 2.663 360 S HA 0.265 4.735 4.470 -0.001 0.000 0.264 360 S C -1.233 173.349 174.600 -0.029 0.000 1.112 360 S CA -1.206 57.006 58.200 0.020 0.000 0.823 360 S CB 1.320 64.525 63.200 0.008 0.000 1.111 360 S HN -0.170 nan 8.310 nan 0.000 0.476 361 V N 1.931 121.818 119.914 -0.045 0.000 2.409 361 V HA 0.484 4.604 4.120 -0.001 0.000 0.291 361 V C -0.720 175.365 176.094 -0.014 0.000 1.020 361 V CA -0.524 61.745 62.300 -0.052 0.000 0.848 361 V CB 1.449 33.254 31.823 -0.030 0.000 0.990 361 V HN 0.934 nan 8.190 nan 0.000 0.430 362 D N 4.138 124.537 120.400 -0.001 0.000 2.338 362 D HA 0.172 4.812 4.640 -0.001 0.000 0.255 362 D C 1.020 177.344 176.300 0.039 0.000 1.237 362 D CA 0.033 54.043 54.000 0.017 0.000 0.883 362 D CB 1.440 42.253 40.800 0.023 0.000 1.087 362 D HN 0.468 nan 8.370 nan 0.000 0.485 363 L N 3.732 124.969 121.223 0.022 0.000 2.201 363 L HA -0.193 4.147 4.340 -0.001 0.000 0.212 363 L C 2.325 179.230 176.870 0.058 0.000 1.105 363 L CA 0.908 55.763 54.840 0.026 0.000 0.775 363 L CB -0.285 41.771 42.059 -0.006 0.000 0.913 363 L HN 0.339 nan 8.230 nan 0.000 0.440 364 K N 0.427 120.854 120.400 0.045 0.000 2.044 364 K HA -0.099 4.221 4.320 -0.001 0.000 0.204 364 K C 1.843 178.507 176.600 0.106 0.000 1.049 364 K CA 2.053 58.360 56.287 0.034 0.000 0.945 364 K CB -1.063 31.426 32.500 -0.018 0.000 0.724 364 K HN 0.225 nan 8.250 nan 0.000 0.440 365 T N -3.899 110.733 114.554 0.130 0.000 3.014 365 T HA 0.226 4.576 4.350 -0.001 0.000 0.263 365 T C 1.667 176.559 174.700 0.319 0.000 1.078 365 T CA 0.564 62.794 62.100 0.215 0.000 1.135 365 T CB -0.509 68.429 68.868 0.118 0.000 0.895 365 T HN 0.548 nan 8.240 nan 0.000 0.480 366 G N 0.923 109.867 108.800 0.241 0.000 2.179 366 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.260 366 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.260 366 G C -0.063 174.962 174.900 0.209 0.000 0.977 366 G CA -0.043 45.216 45.100 0.266 0.000 0.641 366 G HN 0.617 nan 8.290 nan 0.000 0.533 367 Q N 0.963 120.826 119.800 0.104 0.000 2.274 367 Q HA 0.399 4.739 4.340 -0.001 0.000 0.256 367 Q C -2.309 173.649 176.000 -0.070 0.000 0.927 367 Q CA -1.862 53.945 55.803 0.005 0.000 0.939 367 Q CB 1.946 30.686 28.738 0.003 0.000 1.201 367 Q HN 0.352 nan 8.270 nan 0.000 0.426 368 P HA 0.081 nan 4.420 nan 0.000 0.282 368 P C -0.345 176.764 177.300 -0.318 0.000 1.262 368 P CA -0.277 62.557 63.100 -0.443 0.000 0.773 368 P CB 0.793 31.841 31.700 -1.087 0.000 0.879 369 V N 5.790 125.613 119.914 -0.152 0.000 2.397 369 V HA 0.106 4.226 4.120 -0.001 0.000 0.262 369 V C 1.291 177.464 176.094 0.131 0.000 1.047 369 V CA -0.129 62.168 62.300 -0.005 0.000 1.003 369 V CB -0.793 31.044 31.823 0.022 0.000 1.037 369 V HN 0.469 nan 8.190 nan 0.000 0.480 370 R N 2.975 123.594 120.500 0.199 0.000 2.594 370 R HA 0.271 4.611 4.340 -0.001 0.000 0.272 370 R C -0.127 176.313 176.300 0.234 0.000 1.074 370 R CA -0.459 55.861 56.100 0.366 0.000 1.105 370 R CB 0.606 31.125 30.300 0.366 0.000 1.008 370 R HN 0.618 nan 8.270 nan 0.000 0.472 371 D N 2.873 123.413 120.400 0.235 0.000 2.427 371 D HA 0.183 4.823 4.640 -0.001 0.000 0.226 371 D C -1.822 174.557 176.300 0.131 0.000 1.076 371 D CA -2.574 51.527 54.000 0.168 0.000 0.849 371 D CB 1.634 42.568 40.800 0.223 0.000 1.052 371 D HN 0.162 nan 8.370 nan 0.000 0.515 372 P HA -0.135 nan 4.420 nan 0.000 0.218 372 P C 1.003 178.268 177.300 -0.058 0.000 1.146 372 P CA 0.786 63.902 63.100 0.026 0.000 0.813 372 P CB 0.378 32.077 31.700 -0.001 0.000 0.778 373 E N -1.686 118.411 120.200 -0.172 0.000 2.268 373 E HA -0.146 4.203 4.350 -0.001 0.000 0.195 373 E C 0.475 176.725 176.600 -0.584 0.000 0.995 373 E CA 0.748 56.903 56.400 -0.409 0.000 0.836 373 E CB -0.105 29.240 29.700 -0.591 0.000 0.763 373 E HN 0.415 nan 8.360 nan 0.000 0.491 374 Y N -0.960 119.399 120.300 0.098 0.000 2.607 374 Y HA 0.297 4.847 4.550 -0.001 0.000 0.266 374 Y C 0.864 176.914 175.900 0.249 0.000 1.178 374 Y CA -0.541 57.628 58.100 0.115 0.000 1.226 374 Y CB 1.032 39.492 38.460 0.001 0.000 1.144 374 Y HN -0.075 nan 8.280 nan 0.000 0.528 375 G N 0.419 109.385 108.800 0.278 0.000 2.528 375 G HA2 0.431 4.391 3.960 -0.001 0.000 0.289 375 G HA3 0.431 4.391 3.960 -0.001 0.000 0.289 375 G C -0.163 174.772 174.900 0.058 0.000 1.192 375 G CA -0.315 44.941 45.100 0.259 0.000 0.921 375 G HN 0.102 nan 8.290 nan 0.000 0.512 376 T N -2.418 111.993 114.554 -0.239 0.000 2.940 376 T HA 0.802 5.152 4.350 -0.001 0.000 0.288 376 T C -0.241 174.406 174.700 -0.089 0.000 1.033 376 T CA -0.833 61.140 62.100 -0.212 0.000 1.033 376 T CB 1.990 70.412 68.868 -0.743 0.000 1.079 376 T HN 1.110 nan 8.240 nan 0.000 0.496 377 R N 1.368 121.922 120.500 0.091 0.000 2.753 377 R HA 0.506 4.845 4.340 -0.001 0.000 0.272 377 R C -1.201 175.197 176.300 0.163 0.000 1.034 377 R CA -1.036 55.114 56.100 0.082 0.000 0.869 377 R CB 0.918 31.231 30.300 0.022 0.000 1.264 377 R HN 0.616 nan 8.270 nan 0.000 0.481 378 M N 2.325 121.998 119.600 0.121 0.000 2.252 378 M HA 0.091 4.570 4.480 -0.001 0.000 0.321 378 M C -0.248 176.140 176.300 0.147 0.000 1.070 378 M CA 1.291 56.669 55.300 0.130 0.000 1.143 378 M CB -0.255 32.401 32.600 0.093 0.000 1.498 378 M HN 0.762 nan 8.290 nan 0.000 0.445 379 D N 1.873 122.362 120.400 0.149 0.000 2.772 379 D HA -0.250 4.390 4.640 -0.001 0.000 0.233 379 D C -0.582 175.839 176.300 0.202 0.000 1.143 379 D CA 1.185 55.271 54.000 0.143 0.000 0.700 379 D CB -1.590 39.275 40.800 0.107 0.000 1.076 379 D HN 0.810 nan 8.370 nan 0.000 0.430 380 H N -0.584 118.545 119.070 0.098 0.000 3.087 380 H HA 0.372 4.927 4.556 -0.001 0.000 0.348 380 H C -1.569 173.840 175.328 0.136 0.000 1.092 380 H CA -0.864 55.241 56.048 0.096 0.000 1.285 380 H CB 1.351 31.157 29.762 0.073 0.000 1.875 380 H HN 0.010 nan 8.280 nan 0.000 0.512 381 L N 4.955 125.919 121.223 -0.431 0.000 2.259 381 L HA 0.581 4.921 4.340 -0.001 0.000 0.288 381 L C -0.418 176.164 176.870 -0.479 0.000 1.051 381 L CA -0.129 54.552 54.840 -0.264 0.000 0.824 381 L CB 0.252 42.261 42.059 -0.084 0.000 1.206 381 L HN 0.654 nan 8.230 nan 0.000 0.429 382 A N 5.673 128.382 122.820 -0.184 0.000 2.327 382 A HA 0.685 5.004 4.320 -0.001 0.000 0.283 382 A C -0.258 177.423 177.584 0.161 0.000 1.127 382 A CA -0.420 51.638 52.037 0.035 0.000 0.810 382 A CB 0.351 19.483 19.000 0.220 0.000 1.066 382 A HN 0.765 nan 8.150 nan 0.000 0.492 383 K N 0.815 121.337 120.400 0.203 0.000 2.435 383 K HA 0.420 4.739 4.320 -0.001 0.000 0.251 383 K C -1.046 175.745 176.600 0.318 0.000 0.954 383 K CA -0.930 55.505 56.287 0.247 0.000 0.820 383 K CB 1.679 34.283 32.500 0.174 0.000 1.292 383 K HN 0.708 nan 8.250 nan 0.000 0.436 384 D N 1.283 121.884 120.400 0.335 0.000 2.751 384 D HA -0.194 4.446 4.640 -0.001 0.000 0.233 384 D C -0.531 175.835 176.300 0.110 0.000 1.149 384 D CA 0.926 55.093 54.000 0.279 0.000 0.682 384 D CB -0.899 40.032 40.800 0.219 0.000 1.068 384 D HN 0.401 nan 8.370 nan 0.000 0.429 385 I N 0.819 121.464 120.570 0.124 0.000 2.396 385 I HA 0.103 4.273 4.170 -0.001 0.000 0.289 385 I C 0.790 176.799 176.117 -0.180 0.000 1.056 385 I CA -0.115 61.167 61.300 -0.030 0.000 1.365 385 I CB 1.044 39.108 38.000 0.107 0.000 1.407 385 I HN 0.015 nan 8.210 nan 0.000 0.509 386 c N 7.554 125.934 118.600 -0.367 0.000 2.408 386 c HA 0.494 5.064 4.570 -0.001 0.000 0.321 386 c C -2.226 171.453 174.090 -0.684 0.000 1.245 386 c CA -1.411 54.647 56.329 -0.451 0.000 1.523 386 c CB 1.533 43.822 42.510 -0.370 0.000 2.178 386 c HN 0.465 nan 8.230 nan 0.000 0.488 387 P HA 0.260 nan 4.420 nan 0.000 0.276 387 P C -0.159 177.060 177.300 -0.135 0.000 1.261 387 P CA -0.093 62.584 63.100 -0.704 0.000 0.800 387 P CB 0.611 31.832 31.700 -0.800 0.000 1.066 388 S N 0.047 115.751 115.700 0.008 0.000 2.641 388 S HA 0.360 4.830 4.470 -0.001 0.000 0.261 388 S C 1.454 176.224 174.600 0.284 0.000 1.257 388 S CA 0.109 58.376 58.200 0.112 0.000 0.983 388 S CB -0.191 63.035 63.200 0.043 0.000 0.990 388 S HN 0.451 nan 8.310 nan 0.000 0.572 389 A N 0.266 123.289 122.820 0.338 0.000 2.076 389 A HA -0.042 4.278 4.320 -0.001 0.000 0.220 389 A C 2.111 179.996 177.584 0.503 0.000 1.160 389 A CA 1.425 53.714 52.037 0.421 0.000 0.653 389 A CB -1.017 18.291 19.000 0.515 0.000 0.801 389 A HN 0.824 nan 8.150 nan 0.000 0.455 390 M N -0.856 118.916 119.600 0.287 0.000 2.557 390 M HA 0.153 4.633 4.480 -0.001 0.000 0.259 390 M C 1.192 177.726 176.300 0.391 0.000 1.086 390 M CA 0.684 56.165 55.300 0.302 0.000 1.096 390 M CB -0.473 32.168 32.600 0.068 0.000 1.424 390 M HN 0.595 nan 8.290 nan 0.000 0.488 391 G N -0.133 108.864 108.800 0.329 0.000 2.860 391 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.553 391 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.553 391 G C -0.258 174.817 174.900 0.291 0.000 1.439 391 G CA -0.531 44.700 45.100 0.218 0.000 0.879 391 G HN 0.524 nan 8.290 nan 0.000 0.545 392 Y N 0.177 120.456 120.300 -0.034 0.000 2.490 392 Y HA 0.163 4.713 4.550 -0.001 0.000 0.281 392 Y C 1.337 177.260 175.900 0.037 0.000 1.174 392 Y CA 0.488 58.579 58.100 -0.015 0.000 1.295 392 Y CB 0.330 38.745 38.460 -0.076 0.000 1.062 392 Y HN 0.656 nan 8.280 nan 0.000 0.522 393 H N -0.509 118.614 119.070 0.088 0.000 3.086 393 H HA 0.231 4.787 4.556 -0.000 0.000 0.353 393 H C -1.516 173.785 175.328 -0.045 0.000 1.134 393 H CA -0.481 55.563 56.048 -0.007 0.000 1.248 393 H CB 1.745 31.475 29.762 -0.053 0.000 1.878 393 H HN 0.098 nan 8.280 nan 0.000 0.527 394 N N 0.784 119.443 118.700 -0.068 0.000 3.427 394 N HA -0.017 4.723 4.740 -0.001 0.000 0.364 394 N C 0.961 176.498 175.510 0.044 0.000 1.538 394 N CA -0.296 52.695 53.050 -0.099 0.000 0.662 394 N CB 1.222 39.287 38.487 -0.704 0.000 1.881 394 N HN 0.652 nan 8.380 nan 0.000 0.634 395 Q N 0.728 120.539 119.800 0.017 0.000 2.458 395 Q HA -0.066 4.274 4.340 -0.001 0.000 0.215 395 Q C 0.035 176.327 176.000 0.486 0.000 0.989 395 Q CA 0.871 56.850 55.803 0.294 0.000 0.895 395 Q CB -0.950 28.055 28.738 0.446 0.000 0.934 395 Q HN 0.602 nan 8.270 nan 0.000 0.475 396 G N 1.176 110.101 108.800 0.208 0.000 2.305 396 G HA2 -0.122 3.838 3.960 -0.001 0.000 0.243 396 G HA3 -0.122 3.838 3.960 -0.001 0.000 0.243 396 G C -0.797 174.287 174.900 0.307 0.000 1.288 396 G CA -0.194 45.086 45.100 0.300 0.000 0.901 396 G HN 0.381 nan 8.290 nan 0.000 0.516 397 H N 2.830 121.922 119.070 0.036 0.000 2.761 397 H HA 0.187 4.742 4.556 -0.001 0.000 0.284 397 H C -0.072 175.177 175.328 -0.132 0.000 1.105 397 H CA -0.530 55.275 56.048 -0.405 0.000 1.352 397 H CB 0.467 29.487 29.762 -1.236 0.000 1.423 397 H HN 0.477 nan 8.280 nan 0.000 0.464 398 D N 1.813 122.253 120.400 0.067 0.000 2.376 398 D HA 0.131 4.771 4.640 -0.001 0.000 0.268 398 D C 0.442 176.944 176.300 0.337 0.000 1.252 398 D CA -0.148 53.999 54.000 0.246 0.000 1.041 398 D CB 0.802 41.758 40.800 0.259 0.000 1.109 398 D HN 0.606 nan 8.370 nan 0.000 0.552 399 S N -1.582 114.362 115.700 0.407 0.000 2.661 399 S HA 0.619 5.088 4.470 -0.001 0.000 0.285 399 S C -1.485 173.392 174.600 0.461 0.000 1.138 399 S CA -0.930 57.546 58.200 0.460 0.000 0.855 399 S CB 1.851 65.356 63.200 0.508 0.000 1.136 399 S HN 0.526 nan 8.310 nan 0.000 0.484 400 Y N 0.848 121.271 120.300 0.205 0.000 2.396 400 Y HA 0.490 5.040 4.550 -0.001 0.000 0.332 400 Y C -1.631 174.156 175.900 -0.189 0.000 1.034 400 Y CA -0.584 57.411 58.100 -0.175 0.000 1.057 400 Y CB 1.717 39.943 38.460 -0.391 0.000 1.220 400 Y HN 0.836 nan 8.280 nan 0.000 0.440 401 D N 8.243 128.087 120.400 -0.926 0.000 2.396 401 D HA 0.284 4.924 4.640 -0.001 0.000 0.225 401 D C -2.140 173.272 176.300 -1.480 0.000 1.121 401 D CA -2.406 50.986 54.000 -1.013 0.000 0.853 401 D CB 2.137 42.793 40.800 -0.241 0.000 1.043 401 D HN 0.383 nan 8.370 nan 0.000 0.500 402 P HA -0.112 nan 4.420 nan 0.000 0.217 402 P C 1.280 178.296 177.300 -0.473 0.000 1.150 402 P CA 1.058 63.711 63.100 -0.746 0.000 0.832 402 P CB 0.373 31.820 31.700 -0.421 0.000 0.787 403 K N -0.042 120.099 120.400 -0.432 0.000 2.057 403 K HA -0.101 4.219 4.320 -0.001 0.000 0.206 403 K C 2.136 178.616 176.600 -0.200 0.000 1.050 403 K CA 1.286 57.444 56.287 -0.216 0.000 0.935 403 K CB -0.097 32.336 32.500 -0.111 0.000 0.715 403 K HN -0.075 nan 8.250 nan 0.000 0.439 404 R N 0.284 120.629 120.500 -0.258 0.000 2.246 404 R HA 0.033 4.372 4.340 -0.001 0.000 0.199 404 R C -0.196 175.937 176.300 -0.277 0.000 0.984 404 R CA 0.539 56.521 56.100 -0.196 0.000 1.015 404 R CB 0.259 30.500 30.300 -0.098 0.000 0.930 404 R HN 0.287 nan 8.270 nan 0.000 0.475 405 E N 0.071 120.002 120.200 -0.448 0.000 2.389 405 E HA -0.222 4.128 4.350 -0.001 0.000 0.243 405 E C -1.231 175.151 176.600 -0.365 0.000 1.154 405 E CA 0.166 56.358 56.400 -0.347 0.000 0.723 405 E CB -0.921 28.708 29.700 -0.118 0.000 1.261 405 E HN 0.013 nan 8.360 nan 0.000 0.390 406 L N 0.534 121.360 121.223 -0.662 0.000 2.365 406 L HA 0.533 4.873 4.340 -0.001 0.000 0.273 406 L C -0.507 175.824 176.870 -0.899 0.000 1.000 406 L CA -0.366 54.084 54.840 -0.650 0.000 0.819 406 L CB 1.180 42.856 42.059 -0.638 0.000 1.284 406 L HN 0.009 nan 8.230 nan 0.000 0.418 407 F N 3.631 123.356 119.950 -0.375 0.000 2.404 407 F HA 0.460 4.987 4.527 -0.001 0.000 0.339 407 F C -0.233 175.288 175.800 -0.464 0.000 1.105 407 F CA -0.126 57.747 58.000 -0.212 0.000 1.087 407 F CB 0.816 39.855 39.000 0.065 0.000 1.143 407 F HN 0.197 nan 8.300 nan 0.000 0.491 408 F N 4.160 124.244 119.950 0.223 0.000 2.332 408 F HA 0.494 5.020 4.527 -0.000 0.000 0.368 408 F C -0.113 175.776 175.800 0.149 0.000 1.110 408 F CA -0.638 57.420 58.000 0.098 0.000 1.087 408 F CB 0.831 39.911 39.000 0.135 0.000 1.235 408 F HN 0.199 nan 8.300 nan 0.000 0.470 409 M N 2.667 122.402 119.600 0.225 0.000 2.364 409 M HA 0.463 4.943 4.480 -0.001 0.000 0.334 409 M C 0.322 176.682 176.300 0.099 0.000 1.107 409 M CA -0.718 54.706 55.300 0.207 0.000 0.988 409 M CB 1.929 34.647 32.600 0.197 0.000 1.673 409 M HN 0.668 nan 8.290 nan 0.000 0.441 410 G N 4.016 112.855 108.800 0.066 0.000 2.356 410 G HA2 0.601 4.561 3.960 -0.001 0.000 0.300 410 G HA3 0.601 4.561 3.960 -0.001 0.000 0.300 410 G C -0.607 174.182 174.900 -0.184 0.000 1.107 410 G CA -0.362 44.715 45.100 -0.039 0.000 0.960 410 G HN 0.654 nan 8.290 nan 0.000 0.418 411 I N 1.638 122.150 120.570 -0.096 0.000 2.707 411 I HA 0.281 4.450 4.170 -0.001 0.000 0.309 411 I C -0.002 176.099 176.117 -0.027 0.000 1.001 411 I CA -0.897 60.341 61.300 -0.103 0.000 1.129 411 I CB 2.187 40.129 38.000 -0.097 0.000 1.308 411 I HN 0.449 nan 8.210 nan 0.000 0.466 412 N N 2.212 120.906 118.700 -0.009 0.000 2.361 412 N HA 0.304 5.044 4.740 -0.001 0.000 0.302 412 N C -0.854 174.598 175.510 -0.098 0.000 1.074 412 N CA -0.683 52.427 53.050 0.100 0.000 0.850 412 N CB 1.328 39.974 38.487 0.265 0.000 1.228 412 N HN 0.555 nan 8.380 nan 0.000 0.491 413 H N 3.069 122.039 119.070 -0.167 0.000 2.418 413 H HA 0.369 4.925 4.556 -0.001 0.000 0.238 413 H C -1.221 174.065 175.328 -0.071 0.000 1.403 413 H CA -0.345 55.511 56.048 -0.319 0.000 1.419 413 H CB 0.155 29.749 29.762 -0.280 0.000 1.463 413 H HN 0.502 nan 8.280 nan 0.000 0.515 414 I N 2.646 123.197 120.570 -0.031 0.000 2.569 414 I HA 0.266 4.435 4.170 -0.001 0.000 0.290 414 I C -0.273 175.832 176.117 -0.020 0.000 1.088 414 I CA -0.602 60.676 61.300 -0.036 0.000 1.047 414 I CB 2.022 40.041 38.000 0.031 0.000 1.237 414 I HN 0.329 nan 8.210 nan 0.000 0.421 415 c N 5.321 123.785 118.600 -0.227 0.000 2.871 415 c HA 0.899 5.469 4.570 -0.001 0.000 0.351 415 c C -0.103 173.597 174.090 -0.649 0.000 1.338 415 c CA -0.592 55.563 56.329 -0.290 0.000 1.686 415 c CB 1.869 44.300 42.510 -0.132 0.000 2.135 415 c HN 0.911 nan 8.230 nan 0.000 0.476 416 M N 0.076 119.432 119.600 -0.406 0.000 2.773 416 M HA 0.624 5.103 4.480 -0.001 0.000 0.270 416 M C -2.483 173.905 176.300 0.147 0.000 1.238 416 M CA -0.291 54.839 55.300 -0.283 0.000 0.832 416 M CB 1.851 34.461 32.600 0.016 0.000 1.672 416 M HN 0.367 nan 8.290 nan 0.000 0.480 417 D N 1.015 121.581 120.400 0.276 0.000 2.269 417 D HA 0.666 5.306 4.640 -0.001 0.000 0.244 417 D C -1.822 174.712 176.300 0.389 0.000 0.992 417 D CA 0.409 54.611 54.000 0.338 0.000 0.894 417 D CB 2.137 43.127 40.800 0.318 0.000 1.248 417 D HN 0.636 nan 8.370 nan 0.000 0.468 418 W N 1.871 123.249 121.300 0.130 0.000 3.624 418 W HA 0.353 5.013 4.660 -0.000 0.000 0.312 418 W C -1.786 174.787 176.519 0.089 0.000 1.203 418 W CA -0.575 56.848 57.345 0.130 0.000 1.225 418 W CB 1.249 30.795 29.460 0.143 0.000 1.321 418 W HN 0.431 nan 8.180 nan 0.000 0.506 419 E N 7.731 128.077 120.200 0.245 0.000 2.278 419 E HA 0.494 4.843 4.350 -0.001 0.000 0.272 419 E C -2.636 174.035 176.600 0.118 0.000 0.890 419 E CA -1.813 54.731 56.400 0.241 0.000 0.770 419 E CB 3.268 33.056 29.700 0.146 0.000 1.212 419 E HN -0.010 nan 8.360 nan 0.000 0.415 420 P HA 0.404 nan 4.420 nan 0.000 0.283 420 P C -1.118 176.251 177.300 0.115 0.000 1.278 420 P CA -0.489 62.647 63.100 0.059 0.000 0.834 420 P CB 0.684 32.493 31.700 0.181 0.000 1.150 421 F N -2.108 117.849 119.950 0.011 0.000 2.645 421 F HA 0.568 5.095 4.527 -0.000 0.000 0.310 421 F C -0.735 175.073 175.800 0.013 0.000 1.102 421 F CA -1.577 56.429 58.000 0.010 0.000 0.952 421 F CB 0.729 39.720 39.000 -0.014 0.000 1.326 421 F HN -0.035 nan 8.300 nan 0.000 0.456 422 M N 4.187 123.931 119.600 0.240 0.000 2.233 422 M HA 0.555 5.035 4.480 -0.001 0.000 0.350 422 M C -0.735 175.712 176.300 0.244 0.000 1.176 422 M CA -0.427 54.968 55.300 0.158 0.000 1.150 422 M CB 1.103 33.787 32.600 0.140 0.000 1.530 422 M HN 0.731 nan 8.290 nan 0.000 0.459 423 L N 1.856 123.187 121.223 0.180 0.000 2.582 423 L HA 0.803 5.142 4.340 -0.001 0.000 0.257 423 L C -3.167 173.874 176.870 0.286 0.000 0.974 423 L CA -2.077 52.904 54.840 0.237 0.000 0.851 423 L CB -0.073 42.142 42.059 0.261 0.000 1.424 423 L HN 0.356 nan 8.230 nan 0.000 0.412 424 P HA 0.453 nan 4.420 nan 0.000 0.278 424 P C -1.654 175.790 177.300 0.241 0.000 1.258 424 P CA -0.144 63.088 63.100 0.219 0.000 0.811 424 P CB 0.540 32.302 31.700 0.103 0.000 1.063 425 Y N 1.256 121.504 120.300 -0.087 0.000 2.328 425 Y HA 0.560 5.110 4.550 -0.000 0.000 0.337 425 Y C -0.544 175.201 175.900 -0.258 0.000 1.008 425 Y CA -0.702 57.116 58.100 -0.469 0.000 1.129 425 Y CB 1.003 38.903 38.460 -0.934 0.000 1.185 425 Y HN 0.192 nan 8.280 nan 0.000 0.476 426 R N 4.611 124.509 120.500 -1.002 0.000 2.502 426 R HA 0.553 4.892 4.340 -0.001 0.000 0.298 426 R C -0.903 174.830 176.300 -0.945 0.000 1.018 426 R CA -0.697 54.950 56.100 -0.756 0.000 0.899 426 R CB 1.459 31.556 30.300 -0.337 0.000 1.181 426 R HN 0.806 nan 8.270 nan 0.000 0.444 427 A N 1.614 123.908 122.820 -0.876 0.000 2.566 427 A HA 0.396 4.716 4.320 -0.001 0.000 0.245 427 A C 1.442 178.846 177.584 -0.299 0.000 1.056 427 A CA 1.339 53.079 52.037 -0.494 0.000 0.757 427 A CB -0.615 18.267 19.000 -0.197 0.000 0.979 427 A HN 1.093 nan 8.150 nan 0.000 0.508 428 G N 1.488 110.146 108.800 -0.236 0.000 2.258 428 G HA2 -0.203 3.757 3.960 -0.001 0.000 0.233 428 G HA3 -0.203 3.757 3.960 -0.001 0.000 0.233 428 G C 0.276 175.043 174.900 -0.222 0.000 1.006 428 G CA 0.442 45.428 45.100 -0.191 0.000 0.620 428 G HN 0.916 nan 8.290 nan 0.000 0.511 429 Q N -0.448 119.211 119.800 -0.235 0.000 2.205 429 Q HA 0.650 4.990 4.340 -0.001 0.000 0.249 429 Q C -0.286 175.635 176.000 -0.131 0.000 0.948 429 Q CA -0.895 54.819 55.803 -0.147 0.000 0.895 429 Q CB 1.117 29.796 28.738 -0.099 0.000 1.249 429 Q HN 0.206 nan 8.270 nan 0.000 0.458 430 F N 1.051 120.988 119.950 -0.021 0.000 2.553 430 F HA 0.017 4.543 4.527 -0.001 0.000 0.356 430 F C 0.348 176.231 175.800 0.138 0.000 1.142 430 F CA 0.600 58.610 58.000 0.016 0.000 1.322 430 F CB 0.321 39.287 39.000 -0.057 0.000 1.126 430 F HN 0.426 nan 8.300 nan 0.000 0.599 431 F N 3.628 123.649 119.950 0.117 0.000 2.627 431 F HA 0.385 4.912 4.527 -0.001 0.000 0.344 431 F C -0.394 175.402 175.800 -0.007 0.000 1.505 431 F CA -0.582 57.472 58.000 0.089 0.000 1.111 431 F CB -0.279 38.840 39.000 0.198 0.000 1.585 431 F HN 0.174 nan 8.300 nan 0.000 0.582 432 V N 1.179 120.957 119.914 -0.227 0.000 2.391 432 V HA 0.277 4.396 4.120 -0.001 0.000 0.237 432 V C 1.806 177.502 176.094 -0.664 0.000 1.046 432 V CA 1.092 63.009 62.300 -0.638 0.000 1.053 432 V CB -0.923 30.386 31.823 -0.856 0.000 0.704 432 V HN 0.738 nan 8.190 nan 0.000 0.475 433 G N 0.483 108.824 108.800 -0.765 0.000 2.198 433 G HA2 0.069 4.029 3.960 -0.001 0.000 0.257 433 G HA3 0.069 4.029 3.960 -0.001 0.000 0.257 433 G C -0.010 174.136 174.900 -1.256 0.000 1.042 433 G CA 0.535 44.850 45.100 -1.309 0.000 0.791 433 G HN 1.378 nan 8.290 nan 0.000 0.502 434 A N -1.275 120.981 122.820 -0.941 0.000 2.547 434 A HA 0.910 5.230 4.320 -0.001 0.000 0.297 434 A C -0.294 177.089 177.584 -0.336 0.000 1.056 434 A CA 0.470 52.121 52.037 -0.642 0.000 0.688 434 A CB 1.834 20.293 19.000 -0.901 0.000 1.282 434 A HN 1.544 nan 8.150 nan 0.000 0.400 435 T N 1.878 116.321 114.554 -0.185 0.000 2.792 435 T HA 0.639 4.989 4.350 -0.001 0.000 0.280 435 T C -1.074 173.561 174.700 -0.109 0.000 0.990 435 T CA -0.245 61.824 62.100 -0.053 0.000 0.960 435 T CB -0.102 68.807 68.868 0.068 0.000 0.939 435 T HN 0.489 nan 8.240 nan 0.000 0.439 436 L N 4.387 125.588 121.223 -0.037 0.000 2.301 436 L HA 0.715 5.054 4.340 -0.001 0.000 0.264 436 L C -0.178 176.767 176.870 0.125 0.000 1.016 436 L CA -0.839 54.042 54.840 0.068 0.000 0.821 436 L CB 1.996 44.138 42.059 0.138 0.000 1.346 436 L HN 0.740 nan 8.230 nan 0.000 0.429 437 N N 1.148 119.951 118.700 0.172 0.000 2.500 437 N HA 0.637 5.376 4.740 -0.001 0.000 0.291 437 N C -1.632 173.964 175.510 0.144 0.000 1.092 437 N CA -0.315 52.857 53.050 0.203 0.000 0.890 437 N CB 1.118 39.762 38.487 0.262 0.000 1.466 437 N HN 0.516 nan 8.380 nan 0.000 0.507 438 M N 2.864 122.517 119.600 0.088 0.000 2.598 438 M HA 0.537 5.016 4.480 -0.001 0.000 0.317 438 M C -1.177 175.098 176.300 -0.042 0.000 1.179 438 M CA -0.832 54.364 55.300 -0.172 0.000 0.936 438 M CB 1.817 34.364 32.600 -0.090 0.000 1.713 438 M HN 0.618 nan 8.290 nan 0.000 0.460 439 Y N -1.379 118.910 120.300 -0.019 0.000 2.725 439 Y HA 0.675 5.224 4.550 -0.000 0.000 0.333 439 Y C -3.169 172.573 175.900 -0.263 0.000 1.242 439 Y CA -2.902 55.066 58.100 -0.221 0.000 1.059 439 Y CB -0.244 38.073 38.460 -0.238 0.000 1.306 439 Y HN 0.374 nan 8.280 nan 0.000 0.454 440 P HA 0.170 nan 4.420 nan 0.000 0.267 440 P C 0.219 177.502 177.300 -0.029 0.000 1.200 440 P CA 0.569 63.595 63.100 -0.124 0.000 0.772 440 P CB 0.672 32.267 31.700 -0.174 0.000 0.855 441 G N 2.718 111.427 108.800 -0.151 0.000 2.621 441 G HA2 0.161 4.121 3.960 -0.001 0.000 0.271 441 G HA3 0.161 4.121 3.960 -0.001 0.000 0.271 441 G C -1.643 173.261 174.900 0.006 0.000 1.236 441 G CA -1.123 43.783 45.100 -0.324 0.000 0.958 441 G HN 0.313 nan 8.290 nan 0.000 0.512 442 P HA -0.094 nan 4.420 nan 0.000 0.218 442 P C 1.382 178.774 177.300 0.154 0.000 1.146 442 P CA 1.410 64.583 63.100 0.122 0.000 0.820 442 P CB 0.182 31.943 31.700 0.101 0.000 0.778 443 K N -1.392 119.195 120.400 0.311 0.000 2.404 443 K HA 0.189 4.509 4.320 -0.001 0.000 0.194 443 K C 1.345 177.942 176.600 -0.005 0.000 1.023 443 K CA 0.018 56.324 56.287 0.031 0.000 1.094 443 K CB 0.159 32.505 32.500 -0.258 0.000 0.841 443 K HN 0.146 nan 8.250 nan 0.000 0.523 444 G N 0.516 109.373 108.800 0.095 0.000 2.642 444 G HA2 0.055 4.015 3.960 -0.001 0.000 0.291 444 G HA3 0.055 4.015 3.960 -0.001 0.000 0.291 444 G C -1.229 173.659 174.900 -0.021 0.000 1.345 444 G CA -0.375 44.737 45.100 0.020 0.000 1.043 444 G HN -0.033 nan 8.290 nan 0.000 0.528 445 D N -0.799 119.569 120.400 -0.054 0.000 2.443 445 D HA 0.170 4.810 4.640 -0.001 0.000 0.221 445 D C 1.217 177.460 176.300 -0.094 0.000 1.097 445 D CA -0.508 53.462 54.000 -0.051 0.000 0.865 445 D CB 1.116 41.895 40.800 -0.034 0.000 1.034 445 D HN 0.386 nan 8.370 nan 0.000 0.511 446 R N 2.430 122.866 120.500 -0.107 0.000 2.276 446 R HA -0.079 4.261 4.340 -0.001 0.000 0.203 446 R C 0.922 177.167 176.300 -0.091 0.000 1.017 446 R CA 1.171 57.148 56.100 -0.204 0.000 1.010 446 R CB 0.432 30.630 30.300 -0.171 0.000 0.900 446 R HN 0.302 nan 8.270 nan 0.000 0.469 447 Q N -0.666 119.146 119.800 0.021 0.000 2.226 447 Q HA 0.030 4.370 4.340 -0.001 0.000 0.199 447 Q C 1.306 177.426 176.000 0.199 0.000 0.945 447 Q CA 1.093 56.965 55.803 0.114 0.000 0.861 447 Q CB -0.029 28.743 28.738 0.057 0.000 0.953 447 Q HN 0.173 nan 8.270 nan 0.000 0.490 448 N N -0.693 118.095 118.700 0.146 0.000 2.353 448 N HA -0.074 4.665 4.740 -0.001 0.000 0.185 448 N C -0.927 174.740 175.510 0.261 0.000 1.098 448 N CA -0.043 53.104 53.050 0.162 0.000 0.872 448 N CB 0.116 38.654 38.487 0.086 0.000 0.970 448 N HN 0.103 nan 8.380 nan 0.000 0.467 449 Y N -0.014 120.295 120.300 0.016 0.000 3.168 449 Y HA -0.271 4.278 4.550 -0.000 0.000 0.207 449 Y C -0.338 175.547 175.900 -0.024 0.000 1.280 449 Y CA 0.628 58.735 58.100 0.012 0.000 1.235 449 Y CB -1.798 36.686 38.460 0.040 0.000 1.370 449 Y HN 0.258 nan 8.280 nan 0.000 0.537 450 E N -0.686 119.496 120.200 -0.031 0.000 2.416 450 E HA 0.644 4.993 4.350 -0.001 0.000 0.273 450 E C 0.540 177.037 176.600 -0.171 0.000 0.935 450 E CA -0.621 55.672 56.400 -0.177 0.000 0.784 450 E CB 2.186 31.775 29.700 -0.186 0.000 1.301 450 E HN 0.318 nan 8.360 nan 0.000 0.454 451 G N 1.576 110.243 108.800 -0.222 0.000 2.325 451 G HA2 -0.159 3.801 3.960 -0.001 0.000 0.248 451 G HA3 -0.159 3.801 3.960 -0.001 0.000 0.248 451 G C 0.067 174.931 174.900 -0.060 0.000 1.108 451 G CA -0.410 44.612 45.100 -0.130 0.000 0.881 451 G HN 0.273 nan 8.290 nan 0.000 0.494 452 L N -0.120 121.072 121.223 -0.051 0.000 2.628 452 L HA 0.428 4.767 4.340 -0.001 0.000 0.229 452 L C 1.426 178.381 176.870 0.142 0.000 1.137 452 L CA 1.455 56.323 54.840 0.048 0.000 0.909 452 L CB -0.486 41.609 42.059 0.059 0.000 1.137 452 L HN 0.645 nan 8.230 nan 0.000 0.470 453 G N -0.696 108.160 108.800 0.093 0.000 2.727 453 G HA2 0.683 4.643 3.960 -0.001 0.000 0.289 453 G HA3 0.683 4.643 3.960 -0.001 0.000 0.289 453 G C -1.282 173.617 174.900 -0.001 0.000 1.418 453 G CA -0.224 44.936 45.100 0.100 0.000 0.818 453 G HN 0.097 nan 8.290 nan 0.000 0.486 454 Q N -1.299 118.493 119.800 -0.014 0.000 2.522 454 Q HA 0.542 4.882 4.340 -0.001 0.000 0.285 454 Q C -1.744 174.235 176.000 -0.035 0.000 0.982 454 Q CA -0.683 55.084 55.803 -0.060 0.000 0.805 454 Q CB 3.295 31.937 28.738 -0.160 0.000 1.457 454 Q HN 0.612 nan 8.270 nan 0.000 0.394 455 I N 0.702 121.268 120.570 -0.007 0.000 2.512 455 I HA 0.502 4.672 4.170 -0.001 0.000 0.287 455 I C -1.844 174.315 176.117 0.070 0.000 1.069 455 I CA -0.212 61.082 61.300 -0.010 0.000 1.056 455 I CB 1.137 39.051 38.000 -0.144 0.000 1.229 455 I HN 0.473 nan 8.210 nan 0.000 0.429 456 K N 5.838 126.201 120.400 -0.060 0.000 2.435 456 K HA 0.820 5.140 4.320 -0.001 0.000 0.251 456 K C -1.266 175.112 176.600 -0.371 0.000 0.954 456 K CA -0.994 55.171 56.287 -0.204 0.000 0.820 456 K CB 2.235 34.679 32.500 -0.093 0.000 1.292 456 K HN 0.551 nan 8.250 nan 0.000 0.436 457 A N 1.930 124.322 122.820 -0.713 0.000 2.271 457 A HA 0.478 4.797 4.320 -0.001 0.000 0.317 457 A C -1.678 175.783 177.584 -0.205 0.000 1.245 457 A CA -0.358 51.278 52.037 -0.669 0.000 0.857 457 A CB 0.195 18.503 19.000 -1.154 0.000 1.175 457 A HN 0.682 nan 8.150 nan 0.000 0.512 458 Y N 3.116 123.238 120.300 -0.297 0.000 2.462 458 Y HA 0.489 5.039 4.550 -0.000 0.000 0.346 458 Y C -0.551 175.248 175.900 -0.168 0.000 0.976 458 Y CA -1.257 56.657 58.100 -0.309 0.000 1.044 458 Y CB 1.659 39.947 38.460 -0.287 0.000 1.230 458 Y HN 0.656 nan 8.280 nan 0.000 0.455 459 N N 3.906 122.123 118.700 -0.805 0.000 2.424 459 N HA 0.333 5.073 4.740 -0.001 0.000 0.271 459 N C 0.088 174.918 175.510 -1.133 0.000 0.985 459 N CA 0.494 53.154 53.050 -0.651 0.000 0.921 459 N CB 2.055 40.306 38.487 -0.392 0.000 1.149 459 N HN 0.956 nan 8.380 nan 0.000 0.492 460 A N 4.614 127.037 122.820 -0.661 0.000 2.015 460 A HA -0.067 4.253 4.320 -0.001 0.000 0.219 460 A C 1.819 179.217 177.584 -0.311 0.000 1.163 460 A CA 0.907 52.636 52.037 -0.514 0.000 0.646 460 A CB -0.138 18.794 19.000 -0.112 0.000 0.806 460 A HN 0.697 nan 8.150 nan 0.000 0.448 461 I N -0.548 119.877 120.570 -0.242 0.000 2.339 461 I HA -0.076 4.093 4.170 -0.001 0.000 0.245 461 I C 2.237 178.251 176.117 -0.172 0.000 1.096 461 I CA 1.687 62.888 61.300 -0.164 0.000 1.408 461 I CB -1.847 36.083 38.000 -0.117 0.000 1.092 461 I HN 0.190 nan 8.210 nan 0.000 0.423 462 T N 0.318 114.746 114.554 -0.210 0.000 3.014 462 T HA 0.132 4.482 4.350 -0.001 0.000 0.263 462 T C 1.565 176.150 174.700 -0.192 0.000 1.078 462 T CA 1.049 63.045 62.100 -0.174 0.000 1.135 462 T CB -0.164 68.609 68.868 -0.158 0.000 0.895 462 T HN 0.569 nan 8.240 nan 0.000 0.480 463 G N 2.141 110.741 108.800 -0.332 0.000 2.148 463 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.254 463 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.254 463 G C -0.143 174.631 174.900 -0.210 0.000 0.981 463 G CA 0.303 45.262 45.100 -0.236 0.000 0.670 463 G HN 0.609 nan 8.290 nan 0.000 0.528 464 D N -0.561 119.667 120.400 -0.288 0.000 2.255 464 D HA 0.535 5.175 4.640 -0.001 0.000 0.249 464 D C -0.125 176.030 176.300 -0.243 0.000 1.078 464 D CA -0.514 53.387 54.000 -0.165 0.000 0.896 464 D CB 0.307 41.049 40.800 -0.097 0.000 1.194 464 D HN 0.191 nan 8.370 nan 0.000 0.429 465 Y N 2.749 123.084 120.300 0.057 0.000 2.385 465 Y HA 0.202 4.752 4.550 -0.000 0.000 0.341 465 Y C 1.281 177.180 175.900 -0.003 0.000 0.965 465 Y CA -0.640 57.480 58.100 0.034 0.000 1.180 465 Y CB 1.714 40.194 38.460 0.034 0.000 1.139 465 Y HN 0.414 nan 8.280 nan 0.000 0.502 466 K N 4.319 124.746 120.400 0.044 0.000 2.147 466 K HA -0.069 4.251 4.320 -0.001 0.000 0.205 466 K C -0.545 176.216 176.600 0.268 0.000 1.049 466 K CA 1.277 57.617 56.287 0.090 0.000 0.936 466 K CB 0.231 32.753 32.500 0.038 0.000 0.722 466 K HN 0.707 nan 8.250 nan 0.000 0.446 467 W N -1.197 120.204 121.300 0.169 0.000 3.275 467 W HA 0.446 5.106 4.660 -0.001 0.000 0.306 467 W C -1.714 174.875 176.519 0.116 0.000 1.259 467 W CA -0.725 56.694 57.345 0.123 0.000 1.194 467 W CB 0.530 30.052 29.460 0.104 0.000 1.375 467 W HN -0.206 nan 8.180 nan 0.000 0.564 468 E N 2.099 122.546 120.200 0.412 0.000 2.292 468 E HA 0.485 4.834 4.350 -0.001 0.000 0.272 468 E C -0.851 175.890 176.600 0.235 0.000 0.881 468 E CA -1.040 55.493 56.400 0.221 0.000 0.754 468 E CB 2.934 32.633 29.700 -0.002 0.000 1.201 468 E HN 0.112 nan 8.360 nan 0.000 0.425 469 K N 2.335 122.856 120.400 0.202 0.000 2.468 469 K HA 0.455 4.775 4.320 -0.001 0.000 0.252 469 K C -0.618 176.002 176.600 0.032 0.000 0.932 469 K CA -0.863 55.492 56.287 0.113 0.000 0.794 469 K CB 1.952 34.540 32.500 0.147 0.000 1.241 469 K HN 0.458 nan 8.250 nan 0.000 0.428 470 M N 1.459 121.047 119.600 -0.020 0.000 2.255 470 M HA 0.284 4.764 4.480 -0.001 0.000 0.336 470 M C 0.233 176.524 176.300 -0.014 0.000 1.135 470 M CA 0.164 55.430 55.300 -0.057 0.000 1.145 470 M CB 0.518 33.062 32.600 -0.093 0.000 1.473 470 M HN 0.372 nan 8.290 nan 0.000 0.462 471 E N 0.498 120.692 120.200 -0.011 0.000 2.367 471 E HA 0.301 4.651 4.350 -0.001 0.000 0.273 471 E C 0.284 176.853 176.600 -0.052 0.000 0.903 471 E CA -0.430 55.986 56.400 0.027 0.000 0.764 471 E CB 2.432 32.216 29.700 0.139 0.000 1.252 471 E HN 0.591 nan 8.360 nan 0.000 0.446 472 R N 1.567 121.988 120.500 -0.132 0.000 2.083 472 R HA -0.052 4.288 4.340 -0.001 0.000 0.237 472 R C 0.077 176.061 176.300 -0.526 0.000 1.137 472 R CA 1.533 57.392 56.100 -0.402 0.000 0.951 472 R CB 0.152 30.096 30.300 -0.594 0.000 0.851 472 R HN 0.302 nan 8.270 nan 0.000 0.434 473 F N -0.845 119.157 119.950 0.087 0.000 2.618 473 F HA 0.517 5.043 4.527 -0.001 0.000 0.332 473 F C 0.176 176.127 175.800 0.251 0.000 1.061 473 F CA -1.249 56.866 58.000 0.192 0.000 0.974 473 F CB 1.123 40.274 39.000 0.252 0.000 1.310 473 F HN -0.004 nan 8.300 nan 0.000 0.491 474 A N 0.700 123.886 122.820 0.610 0.000 2.567 474 A HA 0.304 4.624 4.320 -0.001 0.000 0.240 474 A C -0.328 177.548 177.584 0.487 0.000 1.053 474 A CA -0.300 52.050 52.037 0.521 0.000 0.755 474 A CB -0.310 19.121 19.000 0.719 0.000 0.978 474 A HN 0.517 nan 8.150 nan 0.000 0.507 475 V N 5.700 125.830 119.914 0.359 0.000 2.229 475 V HA 0.011 4.130 4.120 -0.001 0.000 0.245 475 V C 0.626 176.937 176.094 0.362 0.000 1.243 475 V CA -0.359 62.151 62.300 0.349 0.000 1.176 475 V CB -1.078 30.871 31.823 0.210 0.000 1.323 475 V HN 0.871 nan 8.190 nan 0.000 0.499 476 W N 3.129 124.557 121.300 0.214 0.000 1.779 476 W HA 0.458 5.118 4.660 -0.000 0.000 0.409 476 W C 1.431 178.121 176.519 0.284 0.000 1.812 476 W CA 0.884 58.364 57.345 0.224 0.000 1.994 476 W CB 1.238 30.823 29.460 0.210 0.000 1.415 476 W HN 0.651 nan 8.180 nan 0.000 0.745 477 G N 0.625 109.741 108.800 0.525 0.000 2.708 477 G HA2 -0.080 3.880 3.960 -0.001 0.000 0.229 477 G HA3 -0.080 3.880 3.960 -0.001 0.000 0.229 477 G C 0.541 175.728 174.900 0.477 0.000 1.236 477 G CA 0.841 46.248 45.100 0.512 0.000 0.749 477 G HN 1.816 nan 8.290 nan 0.000 0.515 478 G N -2.442 106.588 108.800 0.383 0.000 2.466 478 G HA2 0.464 4.424 3.960 -0.001 0.000 0.316 478 G HA3 0.464 4.424 3.960 -0.001 0.000 0.316 478 G C -0.445 174.689 174.900 0.390 0.000 1.270 478 G CA 0.378 45.690 45.100 0.353 0.000 0.982 478 G HN 1.712 nan 8.290 nan 0.000 0.506 479 T N 0.173 114.958 114.554 0.384 0.000 2.843 479 T HA 0.743 5.093 4.350 -0.001 0.000 0.302 479 T C -0.609 174.349 174.700 0.429 0.000 1.232 479 T CA -0.164 62.185 62.100 0.415 0.000 1.009 479 T CB 1.772 70.860 68.868 0.367 0.000 1.254 479 T HN 1.055 nan 8.240 nan 0.000 0.504 480 M N 1.911 121.778 119.600 0.446 0.000 2.322 480 M HA 0.714 5.194 4.480 -0.001 0.000 0.286 480 M C -1.992 174.556 176.300 0.414 0.000 1.111 480 M CA -0.640 54.924 55.300 0.441 0.000 0.941 480 M CB 1.609 34.456 32.600 0.411 0.000 1.671 480 M HN 0.811 nan 8.290 nan 0.000 0.470 481 A N 2.992 126.051 122.820 0.398 0.000 2.356 481 A HA 0.955 5.274 4.320 -0.001 0.000 0.323 481 A C -0.814 176.805 177.584 0.058 0.000 1.119 481 A CA -0.459 51.774 52.037 0.326 0.000 0.790 481 A CB 1.848 21.188 19.000 0.566 0.000 1.273 481 A HN 0.766 nan 8.150 nan 0.000 0.452 482 T N 0.331 114.864 114.554 -0.035 0.000 2.906 482 T HA 0.537 4.887 4.350 -0.001 0.000 0.295 482 T C 0.928 175.515 174.700 -0.188 0.000 1.075 482 T CA 0.282 62.199 62.100 -0.305 0.000 1.005 482 T CB 1.780 70.648 68.868 -0.000 0.000 1.136 482 T HN 1.139 nan 8.240 nan 0.000 0.498 483 A N 0.693 123.361 122.820 -0.252 0.000 2.239 483 A HA 0.301 4.620 4.320 -0.001 0.000 0.209 483 A C 1.780 179.392 177.584 0.047 0.000 1.171 483 A CA 0.867 52.945 52.037 0.067 0.000 0.768 483 A CB -0.629 18.417 19.000 0.076 0.000 0.790 483 A HN 0.871 nan 8.150 nan 0.000 0.478 484 G N -0.841 107.964 108.800 0.008 0.000 3.371 484 G HA2 0.310 4.270 3.960 -0.001 0.000 0.248 484 G HA3 0.310 4.270 3.960 -0.001 0.000 0.248 484 G C -0.039 174.862 174.900 0.001 0.000 1.161 484 G CA 0.419 45.521 45.100 0.003 0.000 0.796 484 G HN 0.425 nan 8.290 nan 0.000 0.539 485 D N -0.995 119.425 120.400 0.032 0.000 2.800 485 D HA -0.127 4.513 4.640 -0.001 0.000 0.232 485 D C -0.307 175.959 176.300 -0.056 0.000 1.137 485 D CA 0.648 54.661 54.000 0.022 0.000 0.718 485 D CB -0.957 39.851 40.800 0.015 0.000 1.084 485 D HN 0.179 nan 8.370 nan 0.000 0.432 486 L N 0.194 121.363 121.223 -0.090 0.000 2.370 486 L HA 0.559 4.899 4.340 -0.001 0.000 0.266 486 L C -0.063 176.660 176.870 -0.245 0.000 1.002 486 L CA -1.117 53.575 54.840 -0.247 0.000 0.818 486 L CB 2.323 44.165 42.059 -0.362 0.000 1.325 486 L HN -0.152 nan 8.230 nan 0.000 0.418 487 V N 3.429 123.140 119.914 -0.337 0.000 2.407 487 V HA 0.483 4.602 4.120 -0.001 0.000 0.291 487 V C -0.628 175.413 176.094 -0.089 0.000 1.018 487 V CA -0.571 61.612 62.300 -0.196 0.000 0.842 487 V CB 1.363 33.015 31.823 -0.285 0.000 0.996 487 V HN 0.416 nan 8.190 nan 0.000 0.426 488 F N 5.303 125.365 119.950 0.186 0.000 2.450 488 F HA 0.808 5.335 4.527 -0.001 0.000 0.332 488 F C -0.096 175.950 175.800 0.411 0.000 1.093 488 F CA -0.519 57.622 58.000 0.235 0.000 1.003 488 F CB 1.624 40.694 39.000 0.115 0.000 1.151 488 F HN 0.605 nan 8.300 nan 0.000 0.474 489 Y N -0.497 120.014 120.300 0.352 0.000 2.604 489 Y HA 0.751 5.301 4.550 -0.000 0.000 0.331 489 Y C -0.684 175.391 175.900 0.293 0.000 1.158 489 Y CA -1.820 56.467 58.100 0.311 0.000 1.056 489 Y CB 0.894 39.522 38.460 0.280 0.000 1.330 489 Y HN 0.750 nan 8.280 nan 0.000 0.457 490 G N 0.670 109.664 108.800 0.324 0.000 2.410 490 G HA2 0.585 4.544 3.960 -0.001 0.000 0.330 490 G HA3 0.585 4.544 3.960 -0.001 0.000 0.330 490 G C -0.879 174.208 174.900 0.312 0.000 1.142 490 G CA -0.478 44.766 45.100 0.240 0.000 0.902 490 G HN 0.997 nan 8.290 nan 0.000 0.491 491 T N -0.799 113.912 114.554 0.262 0.000 2.924 491 T HA 0.425 4.775 4.350 -0.001 0.000 0.291 491 T C 1.329 176.189 174.700 0.267 0.000 1.045 491 T CA -0.872 61.421 62.100 0.321 0.000 1.015 491 T CB 1.619 70.683 68.868 0.326 0.000 1.103 491 T HN 0.182 nan 8.240 nan 0.000 0.496 492 L N 0.645 122.029 121.223 0.269 0.000 2.201 492 L HA 0.002 4.342 4.340 -0.001 0.000 0.212 492 L C 1.783 178.689 176.870 0.061 0.000 1.105 492 L CA 1.295 56.201 54.840 0.110 0.000 0.775 492 L CB -0.480 41.577 42.059 -0.003 0.000 0.913 492 L HN 0.798 nan 8.230 nan 0.000 0.440 493 D N -0.407 120.127 120.400 0.223 0.000 2.324 493 D HA 0.054 4.694 4.640 -0.001 0.000 0.235 493 D C 1.207 177.501 176.300 -0.011 0.000 1.095 493 D CA 0.643 54.763 54.000 0.200 0.000 0.871 493 D CB -0.019 40.987 40.800 0.344 0.000 0.906 493 D HN 0.217 nan 8.370 nan 0.000 0.522 494 G N -0.441 108.334 108.800 -0.042 0.000 2.207 494 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.216 494 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.216 494 G C -0.641 174.014 174.900 -0.408 0.000 1.053 494 G CA -0.285 44.685 45.100 -0.216 0.000 0.764 494 G HN 0.378 nan 8.290 nan 0.000 0.495 495 Y N -1.921 118.401 120.300 0.038 0.000 2.576 495 Y HA 0.738 5.287 4.550 -0.001 0.000 0.346 495 Y C -0.003 175.892 175.900 -0.008 0.000 1.018 495 Y CA -1.434 56.651 58.100 -0.023 0.000 1.050 495 Y CB 1.952 40.345 38.460 -0.111 0.000 1.280 495 Y HN 0.280 nan 8.280 nan 0.000 0.474 496 L N 2.697 124.012 121.223 0.154 0.000 2.305 496 L HA 0.583 4.923 4.340 -0.001 0.000 0.284 496 L C -1.280 175.571 176.870 -0.032 0.000 1.013 496 L CA -0.689 54.207 54.840 0.093 0.000 0.819 496 L CB 0.792 42.923 42.059 0.121 0.000 1.227 496 L HN 0.563 nan 8.230 nan 0.000 0.417 497 K N 4.034 124.339 120.400 -0.158 0.000 2.281 497 K HA 0.925 5.245 4.320 -0.001 0.000 0.242 497 K C -1.218 175.363 176.600 -0.031 0.000 0.971 497 K CA -0.953 55.208 56.287 -0.210 0.000 0.834 497 K CB 2.128 34.309 32.500 -0.532 0.000 1.181 497 K HN 0.672 nan 8.250 nan 0.000 0.435 498 A N 2.385 125.225 122.820 0.033 0.000 2.353 498 A HA 0.520 4.840 4.320 -0.001 0.000 0.299 498 A C -0.875 176.620 177.584 -0.148 0.000 1.089 498 A CA -0.846 51.041 52.037 -0.250 0.000 0.736 498 A CB 0.829 19.569 19.000 -0.435 0.000 1.195 498 A HN 0.709 nan 8.150 nan 0.000 0.447 499 R N 1.482 121.891 120.500 -0.152 0.000 2.778 499 R HA 0.396 4.736 4.340 -0.001 0.000 0.277 499 R C -1.124 175.027 176.300 -0.249 0.000 0.977 499 R CA -0.979 55.020 56.100 -0.169 0.000 0.950 499 R CB 1.631 31.854 30.300 -0.129 0.000 1.165 499 R HN 0.751 nan 8.270 nan 0.000 0.474 500 D N 0.790 121.021 120.400 -0.283 0.000 2.358 500 D HA 0.005 4.645 4.640 -0.001 0.000 0.258 500 D C 0.306 176.486 176.300 -0.200 0.000 1.223 500 D CA 0.384 54.248 54.000 -0.228 0.000 0.886 500 D CB 1.106 41.775 40.800 -0.218 0.000 1.120 500 D HN 0.411 nan 8.370 nan 0.000 0.482 501 S N 3.121 118.788 115.700 -0.055 0.000 2.420 501 S HA -0.161 4.308 4.470 -0.001 0.000 0.237 501 S C 1.102 176.007 174.600 0.509 0.000 1.023 501 S CA 0.893 59.190 58.200 0.162 0.000 0.991 501 S CB 0.154 63.421 63.200 0.112 0.000 0.792 501 S HN 0.592 nan 8.310 nan 0.000 0.488 502 D N 0.426 120.974 120.400 0.245 0.000 2.240 502 D HA 0.015 4.655 4.640 -0.001 0.000 0.206 502 D C 2.141 178.556 176.300 0.192 0.000 0.963 502 D CA 1.593 55.754 54.000 0.268 0.000 0.863 502 D CB -0.140 40.738 40.800 0.130 0.000 0.973 502 D HN 0.614 nan 8.370 nan 0.000 0.501 503 T N -4.107 110.344 114.554 -0.172 0.000 2.955 503 T HA 0.365 4.715 4.350 -0.001 0.000 0.251 503 T C 1.680 175.776 174.700 -1.007 0.000 1.002 503 T CA 0.801 62.681 62.100 -0.367 0.000 0.970 503 T CB 1.149 69.889 68.868 -0.214 0.000 1.091 503 T HN 0.142 nan 8.240 nan 0.000 0.495 504 G N 1.617 109.474 108.800 -1.570 0.000 2.176 504 G HA2 -0.194 3.766 3.960 -0.001 0.000 0.253 504 G HA3 -0.194 3.766 3.960 -0.001 0.000 0.253 504 G C -0.337 174.100 174.900 -0.772 0.000 0.979 504 G CA 0.007 43.951 45.100 -1.928 0.000 0.641 504 G HN 0.585 nan 8.290 nan 0.000 0.530 505 D N 0.298 120.401 120.400 -0.496 0.000 2.458 505 D HA 0.296 4.936 4.640 -0.001 0.000 0.243 505 D C 0.742 176.910 176.300 -0.219 0.000 1.146 505 D CA -0.132 53.705 54.000 -0.272 0.000 0.877 505 D CB 1.179 41.862 40.800 -0.195 0.000 1.176 505 D HN 0.246 nan 8.370 nan 0.000 0.461 506 L N 3.790 124.924 121.223 -0.148 0.000 2.369 506 L HA 0.065 4.405 4.340 -0.001 0.000 0.279 506 L C 0.593 177.417 176.870 -0.076 0.000 1.108 506 L CA 0.378 55.157 54.840 -0.101 0.000 0.852 506 L CB 0.294 42.298 42.059 -0.091 0.000 1.169 506 L HN 0.430 nan 8.230 nan 0.000 0.452 507 L N 4.445 125.640 121.223 -0.046 0.000 2.515 507 L HA 0.276 4.616 4.340 -0.001 0.000 0.223 507 L C -0.327 176.624 176.870 0.136 0.000 1.079 507 L CA -0.220 54.622 54.840 0.004 0.000 0.857 507 L CB 0.120 42.158 42.059 -0.035 0.000 1.050 507 L HN 0.693 nan 8.230 nan 0.000 0.476 508 W N 1.350 122.578 121.300 -0.121 0.000 3.298 508 W HA 0.404 5.063 4.660 -0.000 0.000 0.302 508 W C -1.825 174.638 176.519 -0.094 0.000 1.255 508 W CA -1.066 56.230 57.345 -0.082 0.000 1.196 508 W CB 1.003 30.427 29.460 -0.060 0.000 1.364 508 W HN -0.152 nan 8.180 nan 0.000 0.566 509 K N 3.503 123.394 120.400 -0.850 0.000 2.551 509 K HA 0.764 5.084 4.320 -0.001 0.000 0.269 509 K C -2.431 173.486 176.600 -1.137 0.000 0.949 509 K CA -0.854 54.876 56.287 -0.929 0.000 0.849 509 K CB 2.672 34.843 32.500 -0.548 0.000 1.411 509 K HN 0.462 nan 8.250 nan 0.000 0.432 510 F N 1.466 120.901 119.950 -0.858 0.000 2.561 510 F HA 0.385 4.912 4.527 -0.000 0.000 0.313 510 F C -0.931 174.875 175.800 0.011 0.000 1.126 510 F CA -0.760 57.008 58.000 -0.387 0.000 0.918 510 F CB 2.249 41.127 39.000 -0.204 0.000 1.199 510 F HN 0.631 nan 8.300 nan 0.000 0.444 511 K N 7.760 127.762 120.400 -0.663 0.000 2.237 511 K HA 0.289 4.608 4.320 -0.001 0.000 0.283 511 K C -0.530 175.877 176.600 -0.321 0.000 1.080 511 K CA -0.104 55.875 56.287 -0.512 0.000 0.965 511 K CB -0.720 31.488 32.500 -0.486 0.000 1.098 511 K HN 0.592 nan 8.250 nan 0.000 0.434 512 I N 1.746 122.287 120.570 -0.047 0.000 2.834 512 I HA 0.393 4.562 4.170 -0.001 0.000 0.305 512 I C -1.562 174.444 176.117 -0.184 0.000 1.008 512 I CA -2.454 58.879 61.300 0.055 0.000 1.273 512 I CB 0.778 38.892 38.000 0.191 0.000 1.432 512 I HN 0.317 nan 8.210 nan 0.000 0.557 513 P HA -0.115 nan 4.420 nan 0.000 0.214 513 P C -0.196 176.979 177.300 -0.208 0.000 1.163 513 P CA 1.518 64.374 63.100 -0.407 0.000 0.889 513 P CB 0.047 31.244 31.700 -0.838 0.000 0.790 514 S N -2.669 112.977 115.700 -0.089 0.000 2.732 514 S HA 0.650 5.119 4.470 -0.001 0.000 0.293 514 S C 0.182 174.815 174.600 0.055 0.000 1.159 514 S CA -0.722 57.483 58.200 0.009 0.000 0.847 514 S CB 0.804 64.050 63.200 0.077 0.000 1.169 514 S HN 0.172 nan 8.310 nan 0.000 0.501 515 G N -0.158 108.669 108.800 0.045 0.000 2.614 515 G HA2 0.488 4.447 3.960 -0.001 0.000 0.239 515 G HA3 0.488 4.447 3.960 -0.001 0.000 0.239 515 G C -0.251 174.740 174.900 0.151 0.000 1.240 515 G CA -0.154 44.990 45.100 0.074 0.000 0.842 515 G HN 1.036 nan 8.290 nan 0.000 0.584 516 A N 0.857 123.796 122.820 0.199 0.000 2.304 516 A HA 0.609 4.929 4.320 -0.001 0.000 0.323 516 A C 0.699 178.467 177.584 0.307 0.000 1.195 516 A CA -0.728 51.468 52.037 0.264 0.000 0.826 516 A CB 0.675 19.842 19.000 0.280 0.000 1.184 516 A HN 1.156 nan 8.150 nan 0.000 0.496 517 I N 0.301 121.080 120.570 0.349 0.000 4.050 517 I HA 0.467 4.637 4.170 -0.001 0.000 0.327 517 I C 0.585 177.018 176.117 0.526 0.000 1.473 517 I CA -0.225 61.352 61.300 0.462 0.000 1.124 517 I CB 0.383 38.635 38.000 0.420 0.000 1.129 517 I HN 0.506 nan 8.210 nan 0.000 0.428 518 G N 1.036 110.108 108.800 0.453 0.000 2.820 518 G HA2 0.582 4.542 3.960 -0.001 0.000 0.291 518 G HA3 0.582 4.542 3.960 -0.001 0.000 0.291 518 G C -1.410 173.711 174.900 0.369 0.000 1.323 518 G CA -0.683 44.676 45.100 0.431 0.000 1.055 518 G HN 0.332 nan 8.290 nan 0.000 0.520 519 Y N -1.724 118.729 120.300 0.255 0.000 2.487 519 Y HA 0.760 5.310 4.550 -0.000 0.000 0.337 519 Y C -2.648 173.284 175.900 0.053 0.000 1.076 519 Y CA -3.413 54.801 58.100 0.190 0.000 1.115 519 Y CB 0.952 39.520 38.460 0.181 0.000 1.235 519 Y HN 0.280 nan 8.280 nan 0.000 0.468 520 P HA 0.322 nan 4.420 nan 0.000 0.274 520 P C -0.986 176.209 177.300 -0.174 0.000 1.231 520 P CA -0.337 62.746 63.100 -0.028 0.000 0.790 520 P CB 0.961 32.713 31.700 0.088 0.000 0.951 521 M N -0.988 118.343 119.600 -0.448 0.000 2.631 521 M HA 0.825 5.305 4.480 -0.001 0.000 0.288 521 M C -0.568 175.489 176.300 -0.405 0.000 1.260 521 M CA -0.392 54.375 55.300 -0.888 0.000 0.842 521 M CB 1.910 33.513 32.600 -1.662 0.000 1.743 521 M HN 0.122 nan 8.290 nan 0.000 0.461 522 T N 0.214 114.690 114.554 -0.130 0.000 2.883 522 T HA 0.878 5.228 4.350 -0.001 0.000 0.301 522 T C -2.123 172.806 174.700 0.382 0.000 1.158 522 T CA -0.456 61.682 62.100 0.063 0.000 1.007 522 T CB 1.302 70.141 68.868 -0.048 0.000 1.186 522 T HN 1.060 nan 8.240 nan 0.000 0.499 523 Y N -1.595 118.775 120.300 0.118 0.000 2.779 523 Y HA 0.692 5.242 4.550 -0.001 0.000 0.340 523 Y C -1.031 174.969 175.900 0.167 0.000 1.252 523 Y CA -1.136 57.066 58.100 0.170 0.000 1.072 523 Y CB 0.855 39.427 38.460 0.186 0.000 1.343 523 Y HN 0.511 nan 8.280 nan 0.000 0.450 524 T N 0.834 115.543 114.554 0.259 0.000 2.885 524 T HA 0.289 4.639 4.350 -0.001 0.000 0.285 524 T C -0.396 174.539 174.700 0.392 0.000 1.019 524 T CA -0.347 61.844 62.100 0.153 0.000 1.010 524 T CB 1.345 70.260 68.868 0.078 0.000 1.022 524 T HN 0.921 nan 8.240 nan 0.000 0.466 525 H N 1.719 120.954 119.070 0.275 0.000 2.247 525 H HA 0.393 4.949 4.556 -0.000 0.000 0.267 525 H C 0.142 175.569 175.328 0.166 0.000 0.952 525 H CA 0.152 56.384 56.048 0.307 0.000 1.250 525 H CB 0.688 30.702 29.762 0.420 0.000 1.441 525 H HN 0.320 nan 8.280 nan 0.000 0.553 526 K N 0.138 120.490 120.400 -0.080 0.000 3.309 526 K HA 0.225 4.545 4.320 -0.001 0.000 0.187 526 K C -0.192 176.371 176.600 -0.061 0.000 1.085 526 K CA 0.317 56.499 56.287 -0.175 0.000 0.867 526 K CB 1.510 33.866 32.500 -0.240 0.000 0.846 526 K HN 0.627 nan 8.250 nan 0.000 0.522 527 G N 0.800 109.577 108.800 -0.038 0.000 2.194 527 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.236 527 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.236 527 G C 0.224 175.075 174.900 -0.081 0.000 0.987 527 G CA 0.438 45.510 45.100 -0.047 0.000 0.635 527 G HN 0.454 nan 8.290 nan 0.000 0.520 528 T N -1.747 112.742 114.554 -0.108 0.000 2.823 528 T HA 0.665 5.015 4.350 -0.001 0.000 0.279 528 T C -0.230 174.200 174.700 -0.450 0.000 0.998 528 T CA 0.011 61.940 62.100 -0.285 0.000 0.994 528 T CB 2.250 70.894 68.868 -0.373 0.000 0.960 528 T HN 0.475 nan 8.240 nan 0.000 0.448 529 Q N 2.517 122.045 119.800 -0.454 0.000 2.286 529 Q HA 0.359 4.699 4.340 -0.001 0.000 0.257 529 Q C -1.617 173.972 176.000 -0.685 0.000 0.941 529 Q CA -0.576 54.964 55.803 -0.439 0.000 0.912 529 Q CB 0.496 29.073 28.738 -0.268 0.000 1.192 529 Q HN 0.794 nan 8.270 nan 0.000 0.410 530 Y N 1.605 121.599 120.300 -0.510 0.000 2.446 530 Y HA 0.498 5.048 4.550 -0.001 0.000 0.345 530 Y C -0.482 175.112 175.900 -0.510 0.000 0.984 530 Y CA -0.980 56.796 58.100 -0.539 0.000 1.058 530 Y CB 2.065 40.057 38.460 -0.779 0.000 1.220 530 Y HN 0.298 nan 8.280 nan 0.000 0.455 531 V N 2.891 122.693 119.914 -0.186 0.000 2.417 531 V HA 0.828 4.948 4.120 -0.001 0.000 0.291 531 V C -0.383 175.662 176.094 -0.081 0.000 1.024 531 V CA -0.674 61.470 62.300 -0.260 0.000 0.861 531 V CB 1.255 32.756 31.823 -0.536 0.000 0.985 531 V HN 0.868 nan 8.190 nan 0.000 0.436 532 A N 5.688 128.441 122.820 -0.112 0.000 2.374 532 A HA 0.965 5.285 4.320 -0.001 0.000 0.317 532 A C -1.010 176.484 177.584 -0.150 0.000 1.094 532 A CA -0.624 51.349 52.037 -0.107 0.000 0.765 532 A CB 1.513 20.419 19.000 -0.157 0.000 1.268 532 A HN 0.852 nan 8.150 nan 0.000 0.438 533 I N 0.468 121.003 120.570 -0.058 0.000 2.841 533 I HA 0.422 4.592 4.170 -0.001 0.000 0.298 533 I C -1.468 174.687 176.117 0.065 0.000 1.304 533 I CA -0.721 60.553 61.300 -0.044 0.000 1.019 533 I CB 1.755 39.820 38.000 0.107 0.000 1.282 533 I HN 0.799 nan 8.210 nan 0.000 0.432 534 Y N 5.105 125.424 120.300 0.032 0.000 2.301 534 Y HA 0.312 4.862 4.550 -0.000 0.000 0.328 534 Y C -0.609 175.350 175.900 0.099 0.000 1.242 534 Y CA -0.527 57.568 58.100 -0.007 0.000 1.323 534 Y CB 1.096 39.560 38.460 0.007 0.000 1.266 534 Y HN 0.461 nan 8.280 nan 0.000 0.527 535 Y N -1.528 118.879 120.300 0.180 0.000 2.536 535 Y HA 0.837 5.386 4.550 -0.001 0.000 0.347 535 Y C -0.233 175.651 175.900 -0.027 0.000 1.000 535 Y CA -2.087 56.063 58.100 0.083 0.000 1.051 535 Y CB 1.916 40.401 38.460 0.042 0.000 1.259 535 Y HN 0.683 nan 8.280 nan 0.000 0.468 536 G N 1.286 110.186 108.800 0.166 0.000 2.273 536 G HA2 0.131 4.091 3.960 -0.001 0.000 0.208 536 G HA3 0.131 4.091 3.960 -0.001 0.000 0.208 536 G C -1.650 173.318 174.900 0.113 0.000 1.779 536 G CA -0.648 44.477 45.100 0.043 0.000 1.173 536 G HN 0.872 nan 8.290 nan 0.000 0.616 537 V N 1.672 121.629 119.914 0.072 0.000 2.843 537 V HA 0.805 4.924 4.120 -0.001 0.000 0.305 537 V C 1.184 177.277 176.094 -0.003 0.000 1.065 537 V CA 2.343 64.658 62.300 0.025 0.000 1.116 537 V CB 1.352 33.157 31.823 -0.031 0.000 0.968 537 V HN 2.183 nan 8.190 nan 0.000 0.487 538 G N 2.920 111.697 108.800 -0.038 0.000 2.512 538 G HA2 0.587 4.546 3.960 -0.001 0.000 0.181 538 G HA3 0.587 4.546 3.960 -0.001 0.000 0.181 538 G C 0.258 175.129 174.900 -0.048 0.000 1.173 538 G CA 0.280 45.355 45.100 -0.041 0.000 0.988 538 G HN 2.023 nan 8.290 nan 0.000 0.485 539 G N -1.415 107.425 108.800 0.066 0.000 2.601 539 G HA2 -0.136 3.824 3.960 -0.001 0.000 0.252 539 G HA3 -0.136 3.824 3.960 -0.001 0.000 0.252 539 G C 0.911 175.891 174.900 0.134 0.000 1.294 539 G CA 0.969 46.159 45.100 0.150 0.000 0.912 539 G HN 1.673 nan 8.290 nan 0.000 0.574 540 W N 2.589 123.867 121.300 -0.037 0.000 2.355 540 W HA 0.019 4.679 4.660 -0.001 0.000 0.309 540 W C 0.502 176.818 176.519 -0.338 0.000 1.206 540 W CA 3.135 60.441 57.345 -0.066 0.000 1.284 540 W CB -1.555 28.008 29.460 0.172 0.000 1.145 540 W HN 0.511 nan 8.180 nan 0.000 0.502 541 P HA -0.053 nan 4.420 nan 0.000 0.220 541 P C 1.297 178.160 177.300 -0.728 0.000 1.148 541 P CA 2.296 64.642 63.100 -1.255 0.000 0.803 541 P CB -0.434 30.061 31.700 -2.010 0.000 0.782 542 G N -0.320 108.233 108.800 -0.412 0.000 3.337 542 G HA2 0.054 4.014 3.960 -0.001 0.000 0.246 542 G HA3 0.054 4.014 3.960 -0.001 0.000 0.246 542 G C 1.261 176.119 174.900 -0.070 0.000 1.131 542 G CA -0.114 44.850 45.100 -0.226 0.000 0.773 542 G HN 0.163 nan 8.290 nan 0.000 0.544 543 V N 1.050 120.991 119.914 0.046 0.000 2.594 543 V HA -0.033 4.087 4.120 -0.001 0.000 0.253 543 V C 2.665 178.894 176.094 0.225 0.000 1.069 543 V CA 2.609 65.051 62.300 0.237 0.000 1.082 543 V CB -0.262 31.770 31.823 0.348 0.000 0.680 543 V HN 0.341 nan 8.190 nan 0.000 0.469 544 G N -0.413 108.462 108.800 0.126 0.000 2.404 544 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.215 544 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.215 544 G C 1.479 176.414 174.900 0.058 0.000 1.174 544 G CA 1.040 46.206 45.100 0.109 0.000 0.780 544 G HN 0.486 nan 8.290 nan 0.000 0.537 545 L N 0.858 122.084 121.223 0.004 0.000 2.027 545 L HA 0.058 4.397 4.340 -0.001 0.000 0.206 545 L C 2.878 179.692 176.870 -0.094 0.000 1.074 545 L CA 1.408 56.225 54.840 -0.037 0.000 0.745 545 L CB -0.614 41.410 42.059 -0.057 0.000 0.898 545 L HN 0.073 nan 8.230 nan 0.000 0.433 546 V N -0.696 119.115 119.914 -0.170 0.000 2.343 546 V HA -0.256 3.864 4.120 -0.001 0.000 0.247 546 V C 1.856 177.614 176.094 -0.559 0.000 1.051 546 V CA 2.074 64.127 62.300 -0.412 0.000 1.036 546 V CB -0.632 30.840 31.823 -0.585 0.000 0.654 546 V HN 0.401 nan 8.190 nan 0.000 0.451 547 F N -0.878 119.076 119.950 0.006 0.000 2.641 547 F HA 0.326 4.852 4.527 -0.001 0.000 0.302 547 F C 0.829 176.629 175.800 0.001 0.000 1.098 547 F CA -0.078 57.924 58.000 0.004 0.000 1.318 547 F CB 0.093 39.092 39.000 -0.001 0.000 1.035 547 F HN 0.072 nan 8.300 nan 0.000 0.551 548 D N 2.118 122.571 120.400 0.087 0.000 2.697 548 D HA -0.203 4.437 4.640 -0.001 0.000 0.238 548 D C -0.548 175.798 176.300 0.077 0.000 1.152 548 D CA 0.546 54.582 54.000 0.059 0.000 0.666 548 D CB -0.900 39.925 40.800 0.041 0.000 1.037 548 D HN 0.220 nan 8.370 nan 0.000 0.423 549 L N -0.491 120.787 121.223 0.091 0.000 2.343 549 L HA 0.693 5.033 4.340 -0.001 0.000 0.275 549 L C 1.519 178.419 176.870 0.050 0.000 1.056 549 L CA -0.076 54.808 54.840 0.074 0.000 0.804 549 L CB 1.583 43.699 42.059 0.094 0.000 1.203 549 L HN 0.107 nan 8.230 nan 0.000 0.440 550 A N 0.205 123.045 122.820 0.033 0.000 2.009 550 A HA 0.060 4.380 4.320 -0.001 0.000 0.197 550 A C 0.546 178.139 177.584 0.016 0.000 1.471 550 A CA -0.028 52.022 52.037 0.021 0.000 0.973 550 A CB 0.133 19.139 19.000 0.010 0.000 1.020 550 A HN 0.693 nan 8.150 nan 0.000 0.476 551 D N 1.652 122.060 120.400 0.014 0.000 2.412 551 D HA 0.071 4.710 4.640 -0.001 0.000 0.257 551 D C -1.320 174.996 176.300 0.027 0.000 1.217 551 D CA -1.417 52.590 54.000 0.011 0.000 0.897 551 D CB 1.169 41.970 40.800 0.001 0.000 1.132 551 D HN 0.132 nan 8.370 nan 0.000 0.493 552 P HA -0.138 nan 4.420 nan 0.000 0.220 552 P C 1.068 178.412 177.300 0.073 0.000 1.144 552 P CA 0.965 64.094 63.100 0.049 0.000 0.800 552 P CB 0.297 32.020 31.700 0.040 0.000 0.772 553 T N -1.017 113.569 114.554 0.053 0.000 3.043 553 T HA 0.228 4.577 4.350 -0.001 0.000 0.263 553 T C 1.144 175.868 174.700 0.041 0.000 1.094 553 T CA 0.354 62.484 62.100 0.050 0.000 1.127 553 T CB -0.259 68.623 68.868 0.024 0.000 0.905 553 T HN 0.148 nan 8.240 nan 0.000 0.490 554 A N 0.302 123.142 122.820 0.034 0.000 2.366 554 A HA 0.525 4.845 4.320 -0.001 0.000 0.250 554 A C 1.530 179.158 177.584 0.073 0.000 1.099 554 A CA 0.218 52.267 52.037 0.020 0.000 0.794 554 A CB -0.687 18.319 19.000 0.010 0.000 1.056 554 A HN 0.777 nan 8.150 nan 0.000 0.499 555 G N -1.074 107.757 108.800 0.052 0.000 2.273 555 G HA2 -0.064 3.895 3.960 -0.001 0.000 0.280 555 G HA3 -0.064 3.895 3.960 -0.001 0.000 0.280 555 G C 0.369 175.468 174.900 0.331 0.000 1.047 555 G CA 0.233 45.428 45.100 0.158 0.000 0.869 555 G HN 1.790 nan 8.290 nan 0.000 0.502 556 L N -3.225 118.105 121.223 0.178 0.000 3.717 556 L HA -0.221 4.118 4.340 -0.001 0.000 0.414 556 L C 2.020 179.122 176.870 0.386 0.000 1.228 556 L CA 1.154 56.149 54.840 0.258 0.000 0.918 556 L CB -1.537 40.761 42.059 0.398 0.000 1.865 556 L HN 2.067 nan 8.230 nan 0.000 0.922 557 G N -1.933 107.004 108.800 0.228 0.000 2.199 557 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.254 557 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.254 557 G C 0.918 175.909 174.900 0.152 0.000 0.982 557 G CA 0.608 45.818 45.100 0.183 0.000 0.632 557 G HN 1.037 nan 8.290 nan 0.000 0.529 558 A N -0.057 122.858 122.820 0.158 0.000 2.014 558 A HA 0.427 4.746 4.320 -0.001 0.000 0.218 558 A C 2.530 180.240 177.584 0.208 0.000 1.163 558 A CA 2.225 54.315 52.037 0.088 0.000 0.652 558 A CB -0.283 18.631 19.000 -0.142 0.000 0.808 558 A HN 1.061 nan 8.150 nan 0.000 0.449 559 V N 0.054 120.072 119.914 0.173 0.000 2.255 559 V HA -0.227 3.893 4.120 -0.001 0.000 0.247 559 V C 2.837 179.010 176.094 0.133 0.000 1.051 559 V CA 2.129 64.518 62.300 0.149 0.000 1.018 559 V CB -1.458 30.430 31.823 0.109 0.000 0.641 559 V HN 0.577 nan 8.190 nan 0.000 0.445 560 G N -0.565 108.304 108.800 0.115 0.000 2.418 560 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.217 560 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.217 560 G C 1.765 176.754 174.900 0.149 0.000 1.158 560 G CA 1.046 46.196 45.100 0.084 0.000 0.771 560 G HN 0.626 nan 8.290 nan 0.000 0.545 561 A N 0.087 123.028 122.820 0.202 0.000 1.933 561 A HA 0.187 4.507 4.320 -0.001 0.000 0.218 561 A C 1.605 179.108 177.584 -0.135 0.000 1.175 561 A CA 0.863 52.967 52.037 0.111 0.000 0.628 561 A CB -0.351 18.587 19.000 -0.104 0.000 0.814 561 A HN 0.329 nan 8.150 nan 0.000 0.444 562 F N 0.076 120.126 119.950 0.167 0.000 2.750 562 F HA 0.178 4.704 4.527 -0.001 0.000 0.297 562 F C 1.686 177.551 175.800 0.107 0.000 1.138 562 F CA 0.038 58.116 58.000 0.131 0.000 1.346 562 F CB 0.259 39.241 39.000 -0.030 0.000 0.965 562 F HN 0.316 nan 8.300 nan 0.000 0.514 563 K N -0.334 120.167 120.400 0.168 0.000 2.211 563 K HA -0.135 4.185 4.320 -0.001 0.000 0.204 563 K C 1.341 178.026 176.600 0.141 0.000 1.047 563 K CA 1.235 57.572 56.287 0.084 0.000 0.935 563 K CB -0.086 32.369 32.500 -0.075 0.000 0.728 563 K HN 0.046 nan 8.250 nan 0.000 0.452 564 K N 0.623 121.184 120.400 0.268 0.000 2.400 564 K HA 0.047 4.367 4.320 -0.001 0.000 0.194 564 K C 1.812 178.707 176.600 0.492 0.000 1.033 564 K CA 0.128 56.644 56.287 0.381 0.000 1.021 564 K CB -0.122 32.678 32.500 0.501 0.000 0.808 564 K HN 0.113 nan 8.250 nan 0.000 0.505 565 L N 1.880 123.279 121.223 0.294 0.000 2.013 565 L HA -0.178 4.162 4.340 -0.001 0.000 0.212 565 L C 2.089 179.030 176.870 0.118 0.000 1.073 565 L CA 1.978 56.819 54.840 0.001 0.000 0.753 565 L CB -0.888 41.055 42.059 -0.194 0.000 0.890 565 L HN 0.185 nan 8.230 nan 0.000 0.432 566 A N -1.073 121.797 122.820 0.082 0.000 2.131 566 A HA -0.227 4.093 4.320 -0.001 0.000 0.220 566 A C 1.922 179.510 177.584 0.006 0.000 1.158 566 A CA 1.902 53.958 52.037 0.032 0.000 0.665 566 A CB -1.021 17.987 19.000 0.014 0.000 0.795 566 A HN 0.755 nan 8.150 nan 0.000 0.460 567 N N -2.318 116.378 118.700 -0.006 0.000 2.461 567 N HA 0.038 4.778 4.740 -0.001 0.000 0.188 567 N C 0.355 175.606 175.510 -0.432 0.000 1.134 567 N CA 0.687 53.591 53.050 -0.243 0.000 0.878 567 N CB 0.016 38.266 38.487 -0.395 0.000 0.972 567 N HN 0.686 nan 8.380 nan 0.000 0.456 568 Y N -1.258 119.091 120.300 0.082 0.000 2.448 568 Y HA 0.296 4.846 4.550 -0.000 0.000 0.257 568 Y C 0.580 176.480 175.900 -0.002 0.000 1.089 568 Y CA -0.222 57.925 58.100 0.079 0.000 1.245 568 Y CB 1.297 39.886 38.460 0.216 0.000 1.282 568 Y HN -0.194 nan 8.280 nan 0.000 0.529 569 T N -0.153 114.461 114.554 0.101 0.000 2.830 569 T HA 0.416 4.765 4.350 -0.001 0.000 0.322 569 T C -1.808 172.884 174.700 -0.014 0.000 1.501 569 T CA -0.657 61.454 62.100 0.017 0.000 1.036 569 T CB 1.570 70.439 68.868 0.003 0.000 1.379 569 T HN -0.163 nan 8.240 nan 0.000 0.493 570 Q N 1.565 121.347 119.800 -0.029 0.000 2.552 570 Q HA 0.542 4.881 4.340 -0.001 0.000 0.289 570 Q C -0.063 175.918 176.000 -0.031 0.000 1.097 570 Q CA -0.935 54.847 55.803 -0.035 0.000 0.812 570 Q CB 1.920 30.635 28.738 -0.038 0.000 1.460 570 Q HN 0.727 nan 8.270 nan 0.000 0.452 571 M N 0.021 119.598 119.600 -0.037 0.000 2.184 571 M HA 0.416 4.896 4.480 -0.001 0.000 0.296 571 M C 0.620 176.918 176.300 -0.003 0.000 1.165 571 M CA 0.639 55.922 55.300 -0.028 0.000 1.175 571 M CB 0.239 32.809 32.600 -0.049 0.000 1.392 571 M HN 0.820 nan 8.290 nan 0.000 0.457 572 G N -0.777 108.028 108.800 0.008 0.000 2.489 572 G HA2 0.629 4.588 3.960 -0.001 0.000 0.305 572 G HA3 0.629 4.588 3.960 -0.001 0.000 0.305 572 G C -1.524 173.285 174.900 -0.151 0.000 1.311 572 G CA -0.176 44.944 45.100 0.034 0.000 0.813 572 G HN 0.977 nan 8.290 nan 0.000 0.480 573 G N -1.350 107.249 108.800 -0.335 0.000 1.984 573 G HA2 0.799 4.758 3.960 -0.001 0.000 0.313 573 G HA3 0.799 4.758 3.960 -0.001 0.000 0.313 573 G C -0.229 174.010 174.900 -1.102 0.000 1.632 573 G CA 0.918 45.353 45.100 -1.108 0.000 0.963 573 G HN 2.152 nan 8.290 nan 0.000 0.595 574 G N -0.924 106.977 108.800 -1.498 0.000 2.323 574 G HA2 0.663 4.622 3.960 -0.001 0.000 0.291 574 G HA3 0.663 4.622 3.960 -0.001 0.000 0.291 574 G C -1.711 172.766 174.900 -0.704 0.000 1.278 574 G CA 0.267 44.762 45.100 -1.009 0.000 0.860 574 G HN 1.440 nan 8.290 nan 0.000 0.504 575 V N -0.426 119.433 119.914 -0.092 0.000 2.656 575 V HA 0.749 4.869 4.120 -0.001 0.000 0.307 575 V C -0.291 175.880 176.094 0.128 0.000 1.051 575 V CA -0.839 61.529 62.300 0.113 0.000 0.893 575 V CB 1.579 33.462 31.823 0.100 0.000 0.999 575 V HN 0.760 nan 8.190 nan 0.000 0.426 576 V N 4.318 124.283 119.914 0.085 0.000 2.448 576 V HA 0.560 4.680 4.120 -0.001 0.000 0.295 576 V C -0.362 175.519 176.094 -0.355 0.000 1.025 576 V CA -0.568 61.646 62.300 -0.144 0.000 0.859 576 V CB 2.001 33.769 31.823 -0.091 0.000 0.988 576 V HN 0.657 nan 8.190 nan 0.000 0.431 577 V N 5.341 124.849 119.914 -0.677 0.000 2.448 577 V HA 0.574 4.694 4.120 -0.001 0.000 0.295 577 V C -0.624 175.154 176.094 -0.525 0.000 1.025 577 V CA -0.484 61.438 62.300 -0.630 0.000 0.859 577 V CB 1.415 32.509 31.823 -1.216 0.000 0.988 577 V HN 0.645 nan 8.190 nan 0.000 0.431 578 F N 2.180 122.004 119.950 -0.210 0.000 2.497 578 F HA 0.852 5.378 4.527 -0.001 0.000 0.331 578 F C 0.565 176.306 175.800 -0.097 0.000 1.060 578 F CA -0.302 57.608 58.000 -0.148 0.000 0.989 578 F CB 2.249 41.158 39.000 -0.151 0.000 1.245 578 F HN 0.606 nan 8.300 nan 0.000 0.486 579 S N 0.181 115.928 115.700 0.080 0.000 2.595 579 S HA 0.543 5.012 4.470 -0.001 0.000 0.270 579 S C -1.485 173.066 174.600 -0.082 0.000 1.145 579 S CA -1.178 56.960 58.200 -0.103 0.000 0.825 579 S CB 0.599 63.681 63.200 -0.197 0.000 1.107 579 S HN 0.584 nan 8.310 nan 0.000 0.461 580 L N 2.510 123.650 121.223 -0.139 0.000 2.513 580 L HA 0.204 4.544 4.340 -0.001 0.000 0.272 580 L C 0.096 176.940 176.870 -0.043 0.000 1.187 580 L CA 0.480 55.263 54.840 -0.095 0.000 0.895 580 L CB -0.465 41.528 42.059 -0.110 0.000 1.147 580 L HN 0.867 nan 8.230 nan 0.000 0.483 581 D N 2.276 122.675 120.400 -0.002 0.000 3.077 581 D HA -0.205 4.434 4.640 -0.001 0.000 0.217 581 D C 1.125 177.449 176.300 0.040 0.000 1.162 581 D CA 1.268 55.284 54.000 0.027 0.000 0.943 581 D CB -1.267 39.542 40.800 0.015 0.000 1.122 581 D HN 1.099 nan 8.370 nan 0.000 0.413 582 G N 0.230 109.053 108.800 0.039 0.000 2.225 582 G HA2 -0.402 3.558 3.960 -0.001 0.000 0.267 582 G HA3 -0.402 3.558 3.960 -0.001 0.000 0.267 582 G C 0.249 175.200 174.900 0.086 0.000 1.024 582 G CA 0.933 46.066 45.100 0.055 0.000 0.784 582 G HN 0.500 nan 8.290 nan 0.000 0.507 583 K N 0.024 120.461 120.400 0.062 0.000 2.382 583 K HA 0.508 4.828 4.320 -0.001 0.000 0.275 583 K C 0.915 177.626 176.600 0.184 0.000 1.009 583 K CA 0.596 56.932 56.287 0.081 0.000 0.970 583 K CB 1.016 33.529 32.500 0.022 0.000 0.934 583 K HN 0.529 nan 8.250 nan 0.000 0.479 584 G N 1.707 110.625 108.800 0.197 0.000 2.650 584 G HA2 0.229 4.189 3.960 -0.001 0.000 0.310 584 G HA3 0.229 4.189 3.960 -0.001 0.000 0.310 584 G C -2.449 172.498 174.900 0.078 0.000 1.270 584 G CA -0.828 44.434 45.100 0.270 0.000 0.810 584 G HN 0.278 nan 8.290 nan 0.000 0.493 585 P HA -0.002 nan 4.420 nan 0.000 0.219 585 P C 0.397 177.418 177.300 -0.464 0.000 1.146 585 P CA 1.118 63.972 63.100 -0.409 0.000 0.808 585 P CB -0.021 31.176 31.700 -0.838 0.000 0.779 586 Y N -1.132 119.168 120.300 0.000 0.000 2.583 586 Y HA 0.109 4.659 4.550 -0.000 0.000 0.294 586 Y C 1.431 177.346 175.900 0.024 0.000 1.170 586 Y CA -0.440 57.660 58.100 0.001 0.000 1.265 586 Y CB -0.523 37.931 38.460 -0.011 0.000 1.119 586 Y HN -0.124 nan 8.280 nan 0.000 0.522 587 D N 0.325 120.788 120.400 0.106 0.000 2.263 587 D HA -0.138 4.502 4.640 -0.001 0.000 0.208 587 D C 0.361 176.706 176.300 0.076 0.000 0.971 587 D CA 1.331 55.383 54.000 0.088 0.000 0.867 587 D CB 0.032 40.869 40.800 0.063 0.000 0.929 587 D HN 0.262 nan 8.370 nan 0.000 0.492 588 D N -0.167 120.277 120.400 0.075 0.000 2.427 588 D HA 0.083 4.723 4.640 -0.001 0.000 0.226 588 D C -1.750 174.611 176.300 0.102 0.000 1.076 588 D CA -2.250 51.788 54.000 0.065 0.000 0.849 588 D CB 1.670 42.496 40.800 0.043 0.000 1.052 588 D HN -0.055 nan 8.370 nan 0.000 0.515 589 P HA -0.120 nan 4.420 nan 0.000 0.223 589 P C 0.564 177.912 177.300 0.079 0.000 1.144 589 P CA 0.578 63.732 63.100 0.090 0.000 0.783 589 P CB 0.461 32.193 31.700 0.052 0.000 0.771 590 N N -0.194 118.547 118.700 0.068 0.000 2.494 590 N HA -0.004 4.736 4.740 -0.001 0.000 0.182 590 N C 0.488 176.040 175.510 0.070 0.000 1.076 590 N CA 0.290 53.371 53.050 0.052 0.000 0.908 590 N CB -0.108 38.397 38.487 0.030 0.000 0.967 590 N HN 0.099 nan 8.380 nan 0.000 0.449 591 V N 0.829 120.812 119.914 0.115 0.000 2.529 591 V HA 0.235 4.355 4.120 -0.001 0.000 0.292 591 V C 1.467 177.694 176.094 0.222 0.000 1.028 591 V CA 0.803 63.186 62.300 0.139 0.000 1.074 591 V CB 0.479 32.372 31.823 0.118 0.000 0.958 591 V HN 0.569 nan 8.190 nan 0.000 0.481 592 G N 3.589 112.478 108.800 0.148 0.000 2.199 592 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.254 592 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.254 592 G C 0.116 175.053 174.900 0.062 0.000 0.982 592 G CA -0.086 45.092 45.100 0.130 0.000 0.632 592 G HN 0.607 nan 8.290 nan 0.000 0.529 593 E N -0.595 119.640 120.200 0.058 0.000 2.366 593 E HA 0.341 4.690 4.350 -0.001 0.000 0.266 593 E C 0.156 176.822 176.600 0.110 0.000 1.051 593 E CA -0.809 55.634 56.400 0.072 0.000 0.884 593 E CB 0.727 30.459 29.700 0.054 0.000 1.006 593 E HN 0.359 nan 8.360 nan 0.000 0.417 594 W N 3.016 124.306 121.300 -0.016 0.000 2.190 594 W HA 0.155 4.815 4.660 -0.000 0.000 0.330 594 W C 0.329 176.844 176.519 -0.006 0.000 1.299 594 W CA 0.380 57.719 57.345 -0.010 0.000 1.215 594 W CB 0.522 29.974 29.460 -0.013 0.000 1.147 594 W HN 0.319 nan 8.180 nan 0.000 0.563 595 K N 0.000 119.867 120.400 -0.888 0.000 2.780 595 K HA 0.000 4.320 4.320 -0.001 0.000 0.191 595 K CA 0.000 55.794 56.287 -0.822 0.000 0.838 595 K CB 0.000 32.266 32.500 -0.390 0.000 1.064 595 K HN 0.000 nan 8.250 nan 0.000 0.543