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 1h4j_1_G 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 EWEYAGVNVM 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 0.000 175.642 175.510 0.220 0.000 1.280 1 N CA 0.000 53.181 53.050 0.218 0.000 0.885 1 N CB 0.000 38.620 38.487 0.222 0.000 1.341 2 D N 2.247 122.736 120.400 0.149 0.000 2.144 2 D HA -0.113 4.527 4.640 -0.001 0.000 0.200 2 D C 1.325 177.677 176.300 0.088 0.000 0.978 2 D CA 1.085 55.163 54.000 0.129 0.000 0.833 2 D CB 0.535 41.390 40.800 0.092 0.000 0.961 2 D HN 0.525 nan 8.370 nan 0.000 0.470 3 K N 0.719 121.143 120.400 0.040 0.000 2.074 3 K HA -0.081 4.239 4.320 -0.001 0.000 0.209 3 K C 2.244 178.861 176.600 0.028 0.000 1.048 3 K CA 0.594 56.886 56.287 0.008 0.000 0.926 3 K CB -0.263 32.199 32.500 -0.063 0.000 0.713 3 K HN 0.080 nan 8.250 nan 0.000 0.444 4 L N -0.239 121.010 121.223 0.043 0.000 2.012 4 L HA -0.228 4.112 4.340 -0.001 0.000 0.210 4 L C 2.164 179.032 176.870 -0.004 0.000 1.073 4 L CA 1.170 56.022 54.840 0.020 0.000 0.748 4 L CB -0.483 41.580 42.059 0.007 0.000 0.891 4 L HN 0.055 nan 8.230 nan 0.000 0.431 5 V N -0.217 119.750 119.914 0.089 0.000 2.332 5 V HA -0.327 3.793 4.120 -0.001 0.000 0.248 5 V C 2.452 178.580 176.094 0.057 0.000 1.055 5 V CA 2.051 64.415 62.300 0.106 0.000 1.038 5 V CB -0.530 31.419 31.823 0.211 0.000 0.651 5 V HN 0.507 nan 8.190 nan 0.000 0.450 6 E N -0.024 120.210 120.200 0.056 0.000 2.031 6 E HA -0.211 4.139 4.350 -0.001 0.000 0.193 6 E C 2.304 178.918 176.600 0.025 0.000 0.994 6 E CA 1.426 57.850 56.400 0.040 0.000 0.800 6 E CB -0.152 29.570 29.700 0.037 0.000 0.752 6 E HN 0.533 nan 8.360 nan 0.000 0.447 7 L N 0.998 122.232 121.223 0.020 0.000 2.043 7 L HA -0.216 4.123 4.340 -0.001 0.000 0.212 7 L C 2.721 179.588 176.870 -0.005 0.000 1.075 7 L CA 1.606 56.455 54.840 0.015 0.000 0.752 7 L CB -0.451 41.627 42.059 0.030 0.000 0.891 7 L HN 0.250 nan 8.230 nan 0.000 0.432 8 S N -1.001 114.678 115.700 -0.035 0.000 2.500 8 S HA -0.171 4.299 4.470 -0.001 0.000 0.239 8 S C 1.730 176.304 174.600 -0.043 0.000 0.989 8 S CA 0.739 58.892 58.200 -0.078 0.000 0.951 8 S CB -0.300 62.818 63.200 -0.137 0.000 0.759 8 S HN 0.401 nan 8.310 nan 0.000 0.523 9 K N 1.244 121.642 120.400 -0.005 0.000 2.459 9 K HA 0.188 4.507 4.320 -0.001 0.000 0.193 9 K C 0.637 177.250 176.600 0.022 0.000 1.030 9 K CA 0.137 56.434 56.287 0.016 0.000 1.026 9 K CB 0.087 32.604 32.500 0.029 0.000 0.809 9 K HN 0.337 nan 8.250 nan 0.000 0.504 10 S N 1.022 116.735 115.700 0.022 0.000 2.499 10 S HA 0.059 4.529 4.470 -0.001 0.000 0.279 10 S C 0.361 174.996 174.600 0.058 0.000 1.219 10 S CA -0.743 57.480 58.200 0.038 0.000 1.062 10 S CB 0.927 64.151 63.200 0.039 0.000 0.978 10 S HN 0.066 nan 8.310 nan 0.000 0.489 11 D N 2.603 123.045 120.400 0.070 0.000 2.363 11 D HA 0.001 4.641 4.640 -0.001 0.000 0.220 11 D C 0.146 176.545 176.300 0.166 0.000 0.994 11 D CA 0.737 54.797 54.000 0.100 0.000 0.890 11 D CB 0.018 40.861 40.800 0.071 0.000 0.906 11 D HN 0.762 nan 8.370 nan 0.000 0.530 12 D N -0.585 119.909 120.400 0.156 0.000 2.738 12 D HA 0.134 4.773 4.640 -0.001 0.000 0.246 12 D C -0.169 176.242 176.300 0.185 0.000 1.270 12 D CA -0.523 53.610 54.000 0.222 0.000 0.833 12 D CB -0.065 40.842 40.800 0.179 0.000 1.040 12 D HN -0.206 nan 8.370 nan 0.000 0.487 13 N N 0.393 119.204 118.700 0.184 0.000 2.277 13 N HA 0.307 5.047 4.740 -0.001 0.000 0.286 13 N C -1.722 173.945 175.510 0.262 0.000 1.140 13 N CA -0.581 52.555 53.050 0.142 0.000 0.799 13 N CB 1.999 40.524 38.487 0.062 0.000 1.596 13 N HN 0.177 nan 8.380 nan 0.000 0.473 14 W N 3.005 124.304 121.300 -0.003 0.000 2.258 14 W HA 0.227 4.887 4.660 -0.000 0.000 0.287 14 W C 0.041 176.562 176.519 0.004 0.000 1.024 14 W CA -0.579 56.783 57.345 0.028 0.000 1.377 14 W CB 0.503 30.000 29.460 0.060 0.000 1.351 14 W HN 0.339 nan 8.180 nan 0.000 0.334 15 V N 3.151 123.104 119.914 0.065 0.000 3.646 15 V HA 0.257 4.377 4.120 -0.001 0.000 0.277 15 V C 0.240 176.403 176.094 0.115 0.000 1.274 15 V CA 0.812 63.147 62.300 0.058 0.000 1.164 15 V CB -0.897 30.939 31.823 0.022 0.000 0.926 15 V HN 0.403 nan 8.190 nan 0.000 0.442 16 M N -3.317 116.375 119.600 0.153 0.000 2.790 16 M HA 0.667 5.147 4.480 -0.001 0.000 0.272 16 M C -3.395 173.131 176.300 0.377 0.000 1.168 16 M CA -1.639 53.786 55.300 0.209 0.000 0.829 16 M CB 1.202 33.810 32.600 0.013 0.000 1.675 16 M HN -0.294 nan 8.290 nan 0.000 0.505 17 P HA 0.277 nan 4.420 nan 0.000 0.267 17 P C 0.818 178.341 177.300 0.372 0.000 1.205 17 P CA 1.586 65.054 63.100 0.613 0.000 0.765 17 P CB 0.624 32.807 31.700 0.804 0.000 0.828 18 G N 2.593 111.428 108.800 0.058 0.000 2.157 18 G HA2 -0.339 3.620 3.960 -0.001 0.000 0.248 18 G HA3 -0.339 3.620 3.960 -0.001 0.000 0.248 18 G C 0.899 175.694 174.900 -0.176 0.000 0.979 18 G CA 0.617 45.545 45.100 -0.286 0.000 0.650 18 G HN 0.737 nan 8.290 nan 0.000 0.529 19 K N -1.728 118.458 120.400 -0.356 0.000 5.503 19 K HA -0.389 3.931 4.320 -0.001 0.000 0.447 19 K C 0.629 176.938 176.600 -0.485 0.000 0.396 19 K CA 2.943 58.625 56.287 -1.009 0.000 1.904 19 K CB -1.462 30.257 32.500 -1.302 0.000 0.786 19 K HN 1.497 nan 8.250 nan 0.000 0.639 20 N N -3.105 115.468 118.700 -0.211 0.000 2.972 20 N HA 0.265 5.005 4.740 -0.001 0.000 0.262 20 N C 0.006 175.564 175.510 0.081 0.000 1.478 20 N CA -0.482 52.490 53.050 -0.130 0.000 0.841 20 N CB -0.231 38.219 38.487 -0.062 0.000 1.512 20 N HN -0.078 nan 8.380 nan 0.000 0.548 21 Y N -0.336 120.087 120.300 0.204 0.000 2.403 21 Y HA -0.016 4.534 4.550 -0.001 0.000 0.291 21 Y C 0.896 176.986 175.900 0.317 0.000 1.143 21 Y CA 0.974 59.273 58.100 0.331 0.000 1.257 21 Y CB -0.342 38.319 38.460 0.336 0.000 0.984 21 Y HN 0.580 nan 8.280 nan 0.000 0.550 22 D N -1.255 119.359 120.400 0.358 0.000 2.289 22 D HA -0.042 4.598 4.640 -0.001 0.000 0.207 22 D C 0.802 177.261 176.300 0.265 0.000 0.966 22 D CA 0.873 55.033 54.000 0.267 0.000 0.868 22 D CB -0.145 40.771 40.800 0.194 0.000 0.943 22 D HN -0.043 nan 8.370 nan 0.000 0.514 23 S N 0.236 116.105 115.700 0.282 0.000 3.682 23 S HA -0.215 4.254 4.470 -0.001 0.000 0.354 23 S C 0.908 175.696 174.600 0.313 0.000 1.034 23 S CA 0.636 59.019 58.200 0.305 0.000 1.084 23 S CB -1.582 61.848 63.200 0.383 0.000 0.903 23 S HN 0.552 nan 8.310 nan 0.000 0.470 24 N N 1.205 120.064 118.700 0.266 0.000 2.424 24 N HA 0.047 4.787 4.740 -0.001 0.000 0.178 24 N C 0.263 175.985 175.510 0.353 0.000 1.060 24 N CA 0.698 53.948 53.050 0.333 0.000 0.901 24 N CB -0.559 38.136 38.487 0.346 0.000 0.979 24 N HN 0.679 nan 8.380 nan 0.000 0.451 25 N N -1.273 117.566 118.700 0.231 0.000 2.735 25 N HA -0.231 4.509 4.740 -0.001 0.000 0.248 25 N C -1.501 174.200 175.510 0.317 0.000 1.083 25 N CA 0.107 53.287 53.050 0.216 0.000 0.703 25 N CB -1.169 37.466 38.487 0.248 0.000 1.005 25 N HN 0.345 nan 8.380 nan 0.000 0.550 26 F N 0.886 120.904 119.950 0.113 0.000 2.469 26 F HA 0.527 5.053 4.527 -0.001 0.000 0.332 26 F C 0.032 175.879 175.800 0.078 0.000 1.103 26 F CA -0.539 57.535 58.000 0.123 0.000 0.979 26 F CB 1.703 40.761 39.000 0.098 0.000 1.137 26 F HN -0.141 nan 8.300 nan 0.000 0.463 27 S N 4.038 119.317 115.700 -0.702 0.000 2.482 27 S HA 0.284 4.753 4.470 -0.001 0.000 0.303 27 S C 0.192 174.423 174.600 -0.614 0.000 1.091 27 S CA -0.749 57.201 58.200 -0.418 0.000 1.057 27 S CB 0.913 64.023 63.200 -0.150 0.000 1.031 27 S HN 0.750 nan 8.310 nan 0.000 0.485 28 D N 3.007 123.285 120.400 -0.203 0.000 2.355 28 D HA 0.081 4.721 4.640 -0.001 0.000 0.218 28 D C 0.306 176.571 176.300 -0.059 0.000 1.004 28 D CA 0.365 54.334 54.000 -0.052 0.000 0.880 28 D CB 0.094 40.942 40.800 0.080 0.000 0.911 28 D HN 0.506 nan 8.370 nan 0.000 0.528 29 L N 1.567 122.738 121.223 -0.087 0.000 2.513 29 L HA 0.007 4.347 4.340 -0.001 0.000 0.272 29 L C 1.507 178.337 176.870 -0.066 0.000 1.187 29 L CA 0.435 55.239 54.840 -0.059 0.000 0.895 29 L CB 0.439 42.464 42.059 -0.057 0.000 1.147 29 L HN -0.061 nan 8.230 nan 0.000 0.483 30 K N 2.441 122.817 120.400 -0.041 0.000 2.506 30 K HA 0.083 4.403 4.320 -0.001 0.000 0.204 30 K C 1.038 177.613 176.600 -0.041 0.000 1.045 30 K CA -0.312 55.956 56.287 -0.031 0.000 1.074 30 K CB 0.470 32.966 32.500 -0.008 0.000 0.842 30 K HN 0.563 nan 8.250 nan 0.000 0.514 31 Q N 1.257 121.022 119.800 -0.058 0.000 2.050 31 Q HA 0.002 4.342 4.340 -0.001 0.000 0.202 31 Q C 0.152 176.102 176.000 -0.084 0.000 0.980 31 Q CA 1.040 56.799 55.803 -0.073 0.000 0.840 31 Q CB 0.137 28.817 28.738 -0.097 0.000 0.898 31 Q HN 0.449 nan 8.270 nan 0.000 0.424 32 I N 2.386 122.902 120.570 -0.090 0.000 2.304 32 I HA 0.167 4.337 4.170 -0.001 0.000 0.291 32 I C -0.734 175.357 176.117 -0.044 0.000 1.018 32 I CA -0.640 60.607 61.300 -0.088 0.000 1.260 32 I CB 0.862 38.803 38.000 -0.099 0.000 1.390 32 I HN 0.294 nan 8.210 nan 0.000 0.475 33 N N 4.323 122.987 118.700 -0.060 0.000 2.774 33 N HA 0.285 5.025 4.740 -0.001 0.000 0.264 33 N C 0.140 175.604 175.510 -0.076 0.000 1.415 33 N CA -1.203 51.817 53.050 -0.049 0.000 0.815 33 N CB 0.703 39.169 38.487 -0.035 0.000 1.514 33 N HN 0.409 nan 8.380 nan 0.000 0.523 34 K N -1.490 118.867 120.400 -0.072 0.000 2.520 34 K HA -0.055 4.265 4.320 -0.001 0.000 0.197 34 K C 1.049 177.611 176.600 -0.064 0.000 1.044 34 K CA 1.469 57.707 56.287 -0.081 0.000 0.938 34 K CB -0.521 31.937 32.500 -0.069 0.000 0.767 34 K HN 0.622 nan 8.250 nan 0.000 0.481 35 G N 1.817 110.584 108.800 -0.055 0.000 2.492 35 G HA2 -0.175 3.785 3.960 -0.001 0.000 0.214 35 G HA3 -0.175 3.785 3.960 -0.001 0.000 0.214 35 G C 1.036 175.905 174.900 -0.051 0.000 1.147 35 G CA 0.309 45.383 45.100 -0.044 0.000 0.809 35 G HN 0.579 nan 8.290 nan 0.000 0.533 36 N N -0.061 118.597 118.700 -0.071 0.000 2.159 36 N HA 0.062 4.802 4.740 -0.001 0.000 0.217 36 N C 1.432 176.862 175.510 -0.135 0.000 1.223 36 N CA 0.307 53.308 53.050 -0.083 0.000 0.896 36 N CB 0.164 38.603 38.487 -0.079 0.000 1.064 36 N HN 0.066 nan 8.380 nan 0.000 0.518 37 V N 0.910 120.721 119.914 -0.171 0.000 2.380 37 V HA -0.223 3.896 4.120 -0.001 0.000 0.251 37 V C 2.103 177.963 176.094 -0.389 0.000 1.063 37 V CA 1.588 63.694 62.300 -0.323 0.000 1.055 37 V CB -0.637 31.001 31.823 -0.309 0.000 0.657 37 V HN 0.357 nan 8.190 nan 0.000 0.455 38 K N -0.262 120.064 120.400 -0.124 0.000 2.585 38 K HA -0.127 4.193 4.320 -0.001 0.000 0.194 38 K C 1.770 178.399 176.600 0.048 0.000 1.037 38 K CA 0.835 57.157 56.287 0.060 0.000 0.964 38 K CB -0.057 32.498 32.500 0.091 0.000 0.787 38 K HN 0.639 nan 8.250 nan 0.000 0.488 39 Q N -0.026 119.728 119.800 -0.077 0.000 2.247 39 Q HA 0.084 4.424 4.340 -0.001 0.000 0.211 39 Q C -0.421 175.538 176.000 -0.068 0.000 0.861 39 Q CA -0.362 55.423 55.803 -0.030 0.000 0.949 39 Q CB 0.454 29.166 28.738 -0.043 0.000 1.115 39 Q HN 0.050 nan 8.270 nan 0.000 0.507 40 L N 1.908 122.973 121.223 -0.263 0.000 2.513 40 L HA 0.074 4.413 4.340 -0.001 0.000 0.272 40 L C -0.350 176.585 176.870 0.108 0.000 1.187 40 L CA 0.955 55.617 54.840 -0.295 0.000 0.895 40 L CB 0.093 41.576 42.059 -0.960 0.000 1.147 40 L HN -0.051 nan 8.230 nan 0.000 0.483 41 R N 4.189 124.777 120.500 0.146 0.000 2.739 41 R HA 0.550 4.890 4.340 -0.001 0.000 0.271 41 R C -2.669 173.595 176.300 -0.060 0.000 1.010 41 R CA -2.240 53.937 56.100 0.128 0.000 0.897 41 R CB 1.535 31.884 30.300 0.081 0.000 1.236 41 R HN 0.226 nan 8.270 nan 0.000 0.466 42 P HA 0.095 nan 4.420 nan 0.000 0.267 42 P C -0.619 176.535 177.300 -0.244 0.000 1.209 42 P CA 0.368 63.090 63.100 -0.631 0.000 0.763 42 P CB 1.037 32.349 31.700 -0.647 0.000 0.816 43 A N 4.858 127.567 122.820 -0.185 0.000 1.924 43 A HA 0.202 4.522 4.320 -0.001 0.000 0.211 43 A C 0.134 177.858 177.584 0.234 0.000 1.198 43 A CA 0.712 52.800 52.037 0.086 0.000 0.657 43 A CB -0.085 19.076 19.000 0.269 0.000 0.852 43 A HN 0.697 nan 8.150 nan 0.000 0.454 44 W N -1.843 119.422 121.300 -0.059 0.000 3.059 44 W HA 0.532 5.192 4.660 -0.001 0.000 0.329 44 W C -1.133 175.365 176.519 -0.036 0.000 1.246 44 W CA -0.046 57.294 57.345 -0.009 0.000 1.190 44 W CB -0.019 29.470 29.460 0.049 0.000 1.423 44 W HN 0.328 nan 8.180 nan 0.000 0.571 45 T N -0.736 113.997 114.554 0.298 0.000 2.865 45 T HA 0.816 5.166 4.350 -0.001 0.000 0.294 45 T C -1.821 173.139 174.700 0.434 0.000 1.119 45 T CA -0.575 61.631 62.100 0.177 0.000 1.007 45 T CB 3.039 71.968 68.868 0.101 0.000 1.225 45 T HN 0.767 nan 8.240 nan 0.000 0.515 46 F N 1.133 121.169 119.950 0.144 0.000 2.689 46 F HA 0.602 5.129 4.527 -0.000 0.000 0.332 46 F C -0.476 175.321 175.800 -0.005 0.000 1.209 46 F CA -0.530 57.526 58.000 0.093 0.000 1.028 46 F CB 1.931 41.014 39.000 0.139 0.000 1.291 46 F HN 0.838 nan 8.300 nan 0.000 0.500 47 S N 2.875 118.228 115.700 -0.579 0.000 2.545 47 S HA 0.300 4.770 4.470 -0.001 0.000 0.275 47 S C 1.107 175.139 174.600 -0.946 0.000 1.299 47 S CA 0.252 58.146 58.200 -0.510 0.000 1.048 47 S CB 0.993 64.021 63.200 -0.287 0.000 0.938 47 S HN 0.851 nan 8.310 nan 0.000 0.496 48 T N 1.570 115.800 114.554 -0.540 0.000 3.100 48 T HA 0.288 4.637 4.350 -0.001 0.000 0.253 48 T C 1.492 176.074 174.700 -0.196 0.000 1.118 48 T CA 0.613 62.479 62.100 -0.390 0.000 1.058 48 T CB -0.444 68.432 68.868 0.012 0.000 0.953 48 T HN 1.600 nan 8.240 nan 0.000 0.515 49 G N 0.942 109.629 108.800 -0.190 0.000 2.159 49 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.256 49 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.256 49 G C -0.146 174.759 174.900 0.009 0.000 0.977 49 G CA 0.372 45.426 45.100 -0.077 0.000 0.652 49 G HN 0.636 nan 8.290 nan 0.000 0.531 50 L N -0.518 120.735 121.223 0.051 0.000 2.333 50 L HA 0.743 5.082 4.340 -0.001 0.000 0.263 50 L C 0.854 177.796 176.870 0.120 0.000 1.014 50 L CA -1.273 53.626 54.840 0.098 0.000 0.820 50 L CB 1.845 43.980 42.059 0.127 0.000 1.352 50 L HN 0.018 nan 8.230 nan 0.000 0.421 51 L N 0.489 121.772 121.223 0.100 0.000 2.902 51 L HA 0.539 4.879 4.340 -0.001 0.000 0.229 51 L C -0.273 176.686 176.870 0.148 0.000 1.324 51 L CA -0.734 54.147 54.840 0.069 0.000 1.230 51 L CB 0.807 42.866 42.059 0.000 0.000 2.134 51 L HN 0.723 nan 8.230 nan 0.000 0.567 52 N N -1.847 116.891 118.700 0.062 0.000 5.971 52 N HA -0.130 4.610 4.740 -0.001 0.000 0.390 52 N C -0.449 175.193 175.510 0.220 0.000 1.130 52 N CA 0.752 53.849 53.050 0.077 0.000 2.259 52 N CB -0.423 38.106 38.487 0.071 0.000 0.654 52 N HN 0.914 nan 8.380 nan 0.000 0.614 53 G N -0.225 108.681 108.800 0.178 0.000 2.380 53 G HA2 0.283 4.243 3.960 -0.001 0.000 0.242 53 G HA3 0.283 4.243 3.960 -0.001 0.000 0.242 53 G C -0.928 174.132 174.900 0.266 0.000 1.298 53 G CA 0.098 45.334 45.100 0.228 0.000 0.878 53 G HN 0.553 nan 8.290 nan 0.000 0.542 54 H N 1.396 120.471 119.070 0.009 0.000 2.683 54 H HA 0.297 4.852 4.556 -0.001 0.000 0.270 54 H C 0.427 175.775 175.328 0.033 0.000 1.201 54 H CA -0.443 55.529 56.048 -0.126 0.000 1.277 54 H CB 0.568 30.137 29.762 -0.321 0.000 1.400 54 H HN 0.599 nan 8.280 nan 0.000 0.504 55 E N 0.913 121.236 120.200 0.205 0.000 2.561 55 E HA 0.542 4.892 4.350 -0.001 0.000 0.254 55 E C 0.764 177.689 176.600 0.542 0.000 1.213 55 E CA -0.378 56.270 56.400 0.414 0.000 0.995 55 E CB 1.193 31.167 29.700 0.458 0.000 1.233 55 E HN 0.662 nan 8.360 nan 0.000 0.556 56 G N -0.161 109.020 108.800 0.635 0.000 2.562 56 G HA2 0.046 4.006 3.960 -0.001 0.000 0.250 56 G HA3 0.046 4.006 3.960 -0.001 0.000 0.250 56 G C -0.761 174.239 174.900 0.166 0.000 1.269 56 G CA -0.361 45.109 45.100 0.616 0.000 0.919 56 G HN 0.965 nan 8.290 nan 0.000 0.574 57 A N -0.285 122.574 122.820 0.066 0.000 2.605 57 A HA 0.892 5.212 4.320 -0.001 0.000 0.294 57 A C -2.741 174.738 177.584 -0.176 0.000 1.062 57 A CA 0.045 51.802 52.037 -0.467 0.000 0.682 57 A CB 1.708 20.048 19.000 -1.100 0.000 1.278 57 A HN 1.072 nan 8.150 nan 0.000 0.410 58 P HA 0.466 nan 4.420 nan 0.000 0.273 58 P C -0.800 176.452 177.300 -0.080 0.000 1.250 58 P CA -0.127 62.911 63.100 -0.104 0.000 0.793 58 P CB 0.665 32.229 31.700 -0.227 0.000 1.011 59 L N 0.114 121.386 121.223 0.080 0.000 2.334 59 L HA 0.508 4.847 4.340 -0.001 0.000 0.273 59 L C -0.270 176.637 176.870 0.063 0.000 1.013 59 L CA -1.144 53.777 54.840 0.135 0.000 0.816 59 L CB 2.112 44.290 42.059 0.198 0.000 1.278 59 L HN 0.064 nan 8.230 nan 0.000 0.431 60 V N 3.574 123.502 119.914 0.024 0.000 2.447 60 V HA 0.475 4.595 4.120 -0.001 0.000 0.292 60 V C -0.580 175.486 176.094 -0.046 0.000 1.021 60 V CA -0.468 61.759 62.300 -0.121 0.000 0.850 60 V CB 2.112 33.681 31.823 -0.423 0.000 1.005 60 V HN 0.434 nan 8.190 nan 0.000 0.426 61 V N 3.174 123.068 119.914 -0.033 0.000 2.668 61 V HA 0.498 4.618 4.120 -0.001 0.000 0.304 61 V C -0.033 176.044 176.094 -0.028 0.000 1.071 61 V CA -0.728 61.500 62.300 -0.120 0.000 0.894 61 V CB 1.747 33.273 31.823 -0.496 0.000 1.008 61 V HN 0.915 nan 8.190 nan 0.000 0.425 62 D N 3.739 124.130 120.400 -0.016 0.000 2.697 62 D HA -0.131 4.509 4.640 -0.001 0.000 0.238 62 D C 1.267 177.589 176.300 0.037 0.000 1.152 62 D CA 2.165 56.181 54.000 0.027 0.000 0.666 62 D CB -1.011 39.821 40.800 0.053 0.000 1.037 62 D HN 1.722 nan 8.370 nan 0.000 0.423 63 G N -0.180 108.647 108.800 0.045 0.000 2.189 63 G HA2 -0.361 3.599 3.960 -0.001 0.000 0.267 63 G HA3 -0.361 3.599 3.960 -0.001 0.000 0.267 63 G C 0.316 175.175 174.900 -0.068 0.000 0.975 63 G CA 0.912 46.058 45.100 0.078 0.000 0.644 63 G HN 0.631 nan 8.290 nan 0.000 0.537 64 K N -0.491 119.834 120.400 -0.125 0.000 2.259 64 K HA 0.712 5.031 4.320 -0.001 0.000 0.249 64 K C -0.262 176.107 176.600 -0.385 0.000 0.942 64 K CA -0.887 55.217 56.287 -0.306 0.000 0.816 64 K CB 2.148 34.443 32.500 -0.343 0.000 1.155 64 K HN 0.183 nan 8.250 nan 0.000 0.428 65 M N 2.668 121.959 119.600 -0.515 0.000 2.294 65 M HA 0.343 4.823 4.480 -0.001 0.000 0.335 65 M C -1.766 174.214 176.300 -0.534 0.000 1.079 65 M CA -0.689 54.371 55.300 -0.400 0.000 0.982 65 M CB 0.857 33.279 32.600 -0.296 0.000 1.651 65 M HN 0.535 nan 8.290 nan 0.000 0.437 66 Y N 5.372 125.593 120.300 -0.132 0.000 2.331 66 Y HA 0.539 5.088 4.550 -0.001 0.000 0.338 66 Y C -0.427 175.496 175.900 0.038 0.000 0.976 66 Y CA -0.498 57.555 58.100 -0.079 0.000 1.137 66 Y CB 1.095 39.553 38.460 -0.002 0.000 1.172 66 Y HN 0.532 nan 8.280 nan 0.000 0.478 67 I N 5.012 125.685 120.570 0.173 0.000 2.404 67 I HA 0.279 4.449 4.170 -0.001 0.000 0.293 67 I C -0.320 176.024 176.117 0.378 0.000 0.992 67 I CA -0.801 60.685 61.300 0.310 0.000 1.149 67 I CB 1.211 39.358 38.000 0.246 0.000 1.315 67 I HN 0.649 nan 8.210 nan 0.000 0.446 68 H N 3.539 122.782 119.070 0.288 0.000 2.670 68 H HA 0.723 5.279 4.556 -0.001 0.000 0.361 68 H C -0.992 174.329 175.328 -0.010 0.000 1.169 68 H CA -0.637 55.502 56.048 0.151 0.000 1.198 68 H CB 1.979 31.829 29.762 0.146 0.000 1.700 68 H HN 0.613 nan 8.280 nan 0.000 0.542 69 T N -0.841 113.642 114.554 -0.119 0.000 2.773 69 T HA 0.469 4.819 4.350 -0.001 0.000 0.278 69 T C 0.232 174.771 174.700 -0.270 0.000 1.011 69 T CA -0.428 61.462 62.100 -0.351 0.000 1.014 69 T CB 0.902 69.707 68.868 -0.106 0.000 1.293 69 T HN 0.810 nan 8.240 nan 0.000 0.554 70 S N -0.018 115.447 115.700 -0.392 0.000 2.661 70 S HA 0.524 4.994 4.470 -0.001 0.000 0.265 70 S C -0.018 174.592 174.600 0.017 0.000 1.225 70 S CA -0.903 57.213 58.200 -0.140 0.000 0.986 70 S CB -0.314 62.803 63.200 -0.139 0.000 1.008 70 S HN 0.710 nan 8.310 nan 0.000 0.565 71 F N 3.131 123.072 119.950 -0.015 0.000 2.642 71 F HA 0.187 4.714 4.527 -0.001 0.000 0.371 71 F C -1.318 174.487 175.800 0.009 0.000 1.120 71 F CA -1.506 56.502 58.000 0.012 0.000 1.331 71 F CB 0.442 39.462 39.000 0.033 0.000 1.044 71 F HN 0.397 nan 8.300 nan 0.000 0.594 72 P HA 0.004 nan 4.420 nan 0.000 0.259 72 P C -1.201 175.807 177.300 -0.487 0.000 1.480 72 P CA 0.279 62.651 63.100 -1.212 0.000 0.842 72 P CB -0.607 30.489 31.700 -1.007 0.000 1.513 73 N N -0.583 117.989 118.700 -0.213 0.000 2.699 73 N HA -0.155 4.585 4.740 -0.001 0.000 0.257 73 N C -0.652 174.806 175.510 -0.087 0.000 1.077 73 N CA 0.161 53.165 53.050 -0.076 0.000 0.702 73 N CB -2.021 36.445 38.487 -0.035 0.000 0.886 73 N HN 0.431 nan 8.380 nan 0.000 0.549 74 N N -0.032 118.611 118.700 -0.096 0.000 2.445 74 N HA 0.497 5.236 4.740 -0.001 0.000 0.264 74 N C -0.494 174.918 175.510 -0.164 0.000 1.227 74 N CA 0.018 52.957 53.050 -0.184 0.000 0.963 74 N CB 0.831 39.163 38.487 -0.260 0.000 1.188 74 N HN 0.084 nan 8.380 nan 0.000 0.491 75 T N 1.101 115.476 114.554 -0.299 0.000 2.881 75 T HA 0.493 4.843 4.350 -0.001 0.000 0.290 75 T C -1.250 173.200 174.700 -0.417 0.000 1.000 75 T CA -0.452 61.572 62.100 -0.126 0.000 0.978 75 T CB 0.459 69.411 68.868 0.140 0.000 0.997 75 T HN 0.203 nan 8.240 nan 0.000 0.443 76 F N 1.121 121.008 119.950 -0.104 0.000 2.579 76 F HA 0.795 5.321 4.527 -0.001 0.000 0.324 76 F C 0.163 175.577 175.800 -0.643 0.000 1.058 76 F CA -1.096 56.717 58.000 -0.312 0.000 0.944 76 F CB 1.792 40.705 39.000 -0.145 0.000 1.245 76 F HN 0.636 nan 8.300 nan 0.000 0.477 77 A N 3.076 125.465 122.820 -0.718 0.000 2.353 77 A HA 0.826 5.146 4.320 -0.001 0.000 0.299 77 A C -1.476 175.695 177.584 -0.688 0.000 1.089 77 A CA -0.523 50.915 52.037 -0.998 0.000 0.736 77 A CB 0.744 18.782 19.000 -1.603 0.000 1.195 77 A HN 0.735 nan 8.150 nan 0.000 0.447 78 L N 2.079 122.919 121.223 -0.637 0.000 2.346 78 L HA 0.698 5.037 4.340 -0.001 0.000 0.274 78 L C 0.776 177.365 176.870 -0.469 0.000 1.007 78 L CA -0.946 53.581 54.840 -0.521 0.000 0.818 78 L CB 2.228 43.950 42.059 -0.563 0.000 1.284 78 L HN 0.796 nan 8.230 nan 0.000 0.424 79 G N 1.578 110.144 108.800 -0.389 0.000 2.338 79 G HA2 0.350 4.310 3.960 -0.001 0.000 0.295 79 G HA3 0.350 4.310 3.960 -0.001 0.000 0.295 79 G C 0.679 175.322 174.900 -0.427 0.000 1.132 79 G CA -0.488 44.416 45.100 -0.326 0.000 0.922 79 G HN 0.460 nan 8.290 nan 0.000 0.427 80 L N 2.125 123.077 121.223 -0.453 0.000 2.263 80 L HA -0.069 4.270 4.340 -0.001 0.000 0.216 80 L C 2.075 178.554 176.870 -0.652 0.000 1.111 80 L CA 1.295 55.725 54.840 -0.683 0.000 0.773 80 L CB -0.196 41.262 42.059 -1.002 0.000 0.906 80 L HN 0.439 nan 8.230 nan 0.000 0.439 81 D N -1.273 118.914 120.400 -0.355 0.000 2.289 81 D HA -0.039 4.600 4.640 -0.001 0.000 0.207 81 D C 0.303 176.400 176.300 -0.338 0.000 0.966 81 D CA 0.715 54.583 54.000 -0.220 0.000 0.868 81 D CB 0.285 41.047 40.800 -0.062 0.000 0.943 81 D HN 0.234 nan 8.370 nan 0.000 0.514 82 D N -1.454 118.721 120.400 -0.376 0.000 2.752 82 D HA 0.128 4.768 4.640 -0.001 0.000 0.242 82 D C -2.254 173.848 176.300 -0.331 0.000 1.295 82 D CA -1.247 52.565 54.000 -0.314 0.000 0.846 82 D CB 1.117 41.844 40.800 -0.123 0.000 1.454 82 D HN -0.200 nan 8.370 nan 0.000 0.535 83 P HA 0.039 nan 4.420 nan 0.000 0.220 83 P C 1.499 178.592 177.300 -0.345 0.000 1.148 83 P CA 0.844 63.514 63.100 -0.718 0.000 0.803 83 P CB 0.327 31.047 31.700 -1.632 0.000 0.782 84 G N -1.314 107.439 108.800 -0.078 0.000 2.535 84 G HA2 -0.102 3.857 3.960 -0.001 0.000 0.218 84 G HA3 -0.102 3.857 3.960 -0.001 0.000 0.218 84 G C 0.353 175.246 174.900 -0.012 0.000 1.122 84 G CA 0.590 45.690 45.100 0.000 0.000 0.769 84 G HN 0.240 nan 8.290 nan 0.000 0.549 85 T N 1.272 115.792 114.554 -0.056 0.000 2.756 85 T HA 0.461 4.810 4.350 -0.001 0.000 0.290 85 T C 0.085 174.736 174.700 -0.082 0.000 0.985 85 T CA -0.363 61.713 62.100 -0.039 0.000 0.955 85 T CB 1.653 70.504 68.868 -0.029 0.000 0.930 85 T HN 0.023 nan 8.240 nan 0.000 0.451 86 I N 4.870 125.425 120.570 -0.025 0.000 2.363 86 I HA 0.029 4.199 4.170 -0.001 0.000 0.292 86 I C 0.989 177.090 176.117 -0.025 0.000 1.075 86 I CA -0.532 60.746 61.300 -0.036 0.000 1.333 86 I CB 0.800 38.868 38.000 0.112 0.000 1.415 86 I HN 0.481 nan 8.210 nan 0.000 0.502 87 L N 7.902 129.055 121.223 -0.116 0.000 1.994 87 L HA -0.041 4.298 4.340 -0.001 0.000 0.208 87 L C 0.521 177.479 176.870 0.146 0.000 1.071 87 L CA 1.637 56.459 54.840 -0.031 0.000 0.745 87 L CB -0.482 41.511 42.059 -0.110 0.000 0.892 87 L HN 0.661 nan 8.230 nan 0.000 0.431 88 W N -0.975 120.341 121.300 0.027 0.000 3.146 88 W HA 0.545 5.205 4.660 -0.001 0.000 0.319 88 W C -1.410 175.134 176.519 0.041 0.000 1.258 88 W CA -1.018 56.348 57.345 0.035 0.000 1.189 88 W CB 0.772 30.248 29.460 0.027 0.000 1.412 88 W HN 0.133 nan 8.180 nan 0.000 0.567 89 Q N 1.344 121.413 119.800 0.449 0.000 2.345 89 Q HA 0.460 4.800 4.340 -0.001 0.000 0.275 89 Q C -2.143 173.982 176.000 0.209 0.000 1.063 89 Q CA -0.708 55.204 55.803 0.181 0.000 0.819 89 Q CB 3.247 31.979 28.738 -0.010 0.000 1.356 89 Q HN 0.366 nan 8.270 nan 0.000 0.418 90 D N 1.611 122.071 120.400 0.100 0.000 2.414 90 D HA 0.262 4.902 4.640 -0.001 0.000 0.232 90 D C -1.210 175.031 176.300 -0.099 0.000 1.070 90 D CA -0.399 53.628 54.000 0.045 0.000 0.839 90 D CB 1.082 41.957 40.800 0.125 0.000 1.079 90 D HN 0.391 nan 8.370 nan 0.000 0.521 91 K N 4.869 125.216 120.400 -0.087 0.000 2.484 91 K HA 0.343 4.663 4.320 -0.001 0.000 0.226 91 K C -2.359 174.186 176.600 -0.093 0.000 1.031 91 K CA -1.659 54.562 56.287 -0.109 0.000 1.026 91 K CB 1.351 33.802 32.500 -0.081 0.000 1.412 91 K HN 0.341 nan 8.250 nan 0.000 0.492 92 P HA -0.023 nan 4.420 nan 0.000 0.267 92 P C -0.850 176.382 177.300 -0.113 0.000 1.200 92 P CA -0.035 63.003 63.100 -0.104 0.000 0.772 92 P CB 0.571 32.200 31.700 -0.117 0.000 0.855 93 K N 2.817 123.173 120.400 -0.073 0.000 2.281 93 K HA 0.284 4.604 4.320 -0.001 0.000 0.272 93 K C -0.110 176.473 176.600 -0.030 0.000 1.048 93 K CA -0.341 55.915 56.287 -0.052 0.000 0.898 93 K CB 0.853 33.338 32.500 -0.025 0.000 1.128 93 K HN 0.444 nan 8.250 nan 0.000 0.460 94 Q N 1.380 121.167 119.800 -0.020 0.000 2.387 94 Q HA 0.223 4.562 4.340 -0.001 0.000 0.273 94 Q C -0.654 175.444 176.000 0.162 0.000 1.089 94 Q CA -1.218 54.629 55.803 0.073 0.000 0.824 94 Q CB 1.684 30.485 28.738 0.104 0.000 1.367 94 Q HN 0.372 nan 8.270 nan 0.000 0.443 95 N N 3.235 122.022 118.700 0.146 0.000 2.414 95 N HA -0.009 4.730 4.740 -0.001 0.000 0.268 95 N C -1.660 173.952 175.510 0.171 0.000 1.286 95 N CA -1.036 52.087 53.050 0.122 0.000 0.896 95 N CB 0.771 39.304 38.487 0.077 0.000 1.093 95 N HN 0.390 nan 8.380 nan 0.000 0.480 96 P HA -0.105 nan 4.420 nan 0.000 0.228 96 P C 0.627 177.929 177.300 0.003 0.000 1.151 96 P CA 0.662 63.838 63.100 0.126 0.000 0.770 96 P CB 0.145 31.912 31.700 0.111 0.000 0.786 97 A N 0.650 123.477 122.820 0.011 0.000 2.067 97 A HA 0.052 4.372 4.320 -0.001 0.000 0.219 97 A C 2.429 179.977 177.584 -0.060 0.000 1.158 97 A CA 1.409 53.433 52.037 -0.021 0.000 0.661 97 A CB -1.200 17.796 19.000 -0.006 0.000 0.801 97 A HN 0.241 nan 8.150 nan 0.000 0.452 98 A N 0.168 122.948 122.820 -0.068 0.000 1.978 98 A HA -0.182 4.138 4.320 -0.001 0.000 0.220 98 A C 2.165 179.624 177.584 -0.207 0.000 1.170 98 A CA 1.582 53.557 52.037 -0.103 0.000 0.636 98 A CB -0.432 18.548 19.000 -0.033 0.000 0.810 98 A HN 0.553 nan 8.150 nan 0.000 0.448 99 R N -0.494 119.808 120.500 -0.330 0.000 2.105 99 R HA -0.116 4.224 4.340 -0.001 0.000 0.239 99 R C 2.358 178.591 176.300 -0.112 0.000 1.135 99 R CA 1.288 57.206 56.100 -0.303 0.000 0.967 99 R CB -0.451 29.664 30.300 -0.309 0.000 0.861 99 R HN 0.520 nan 8.270 nan 0.000 0.442 100 A N 0.583 123.358 122.820 -0.075 0.000 2.015 100 A HA -0.081 4.239 4.320 -0.001 0.000 0.219 100 A C 1.837 179.423 177.584 0.003 0.000 1.163 100 A CA 1.416 53.445 52.037 -0.014 0.000 0.646 100 A CB -0.136 18.856 19.000 -0.014 0.000 0.806 100 A HN 0.241 nan 8.150 nan 0.000 0.448 101 V N -3.945 115.921 119.914 -0.080 0.000 3.249 101 V HA 0.678 4.797 4.120 -0.001 0.000 0.338 101 V C 0.523 176.544 176.094 -0.121 0.000 1.363 101 V CA -0.135 62.055 62.300 -0.184 0.000 1.205 101 V CB -0.770 30.923 31.823 -0.216 0.000 1.164 101 V HN 0.545 nan 8.190 nan 0.000 0.458 102 A N 0.266 123.078 122.820 -0.013 0.000 2.273 102 A HA 0.506 4.826 4.320 -0.001 0.000 0.320 102 A C 1.345 178.959 177.584 0.050 0.000 1.358 102 A CA 0.172 52.204 52.037 -0.009 0.000 0.910 102 A CB 0.326 19.309 19.000 -0.028 0.000 1.159 102 A HN 0.946 nan 8.150 nan 0.000 0.526 103 C N 0.776 120.112 119.300 0.059 0.000 2.398 103 C HA -0.133 4.327 4.460 -0.001 0.000 0.276 103 C C 1.204 176.092 174.990 -0.170 0.000 1.222 103 C CA 1.197 60.227 59.018 0.019 0.000 1.746 103 C CB -1.618 26.088 27.740 -0.057 0.000 2.039 103 C HN 0.754 nan 8.230 nan 0.000 0.470 104 C N 1.942 121.150 119.300 -0.153 0.000 2.987 104 C HA 0.596 5.056 4.460 -0.001 0.000 0.262 104 C C -0.429 174.602 174.990 0.068 0.000 1.531 104 C CA -0.315 58.638 59.018 -0.108 0.000 1.571 104 C CB -2.319 25.302 27.740 -0.198 0.000 2.381 104 C HN 0.847 nan 8.230 nan 0.000 0.519 105 D N 0.476 120.950 120.400 0.124 0.000 10.788 105 D HA -0.161 4.479 4.640 -0.001 0.000 0.346 105 D C -0.215 176.203 176.300 0.196 0.000 3.133 105 D CA 0.275 54.458 54.000 0.304 0.000 2.671 105 D CB 0.077 41.064 40.800 0.312 0.000 1.209 105 D HN 0.477 nan 8.370 nan 0.000 0.941 106 L N 1.458 122.806 121.223 0.208 0.000 2.672 106 L HA 0.250 4.589 4.340 -0.001 0.000 0.238 106 L C 0.975 177.940 176.870 0.159 0.000 1.392 106 L CA -0.689 54.243 54.840 0.153 0.000 1.238 106 L CB -1.177 40.973 42.059 0.152 0.000 1.548 106 L HN 0.321 nan 8.230 nan 0.000 0.423 107 V N -2.636 117.367 119.914 0.150 0.000 3.262 107 V HA 0.534 4.653 4.120 -0.001 0.000 0.313 107 V C -0.022 176.171 176.094 0.164 0.000 1.070 107 V CA -0.688 61.703 62.300 0.153 0.000 1.049 107 V CB 1.919 33.862 31.823 0.201 0.000 1.157 107 V HN 0.547 nan 8.190 nan 0.000 0.454 108 N N 0.386 119.206 118.700 0.200 0.000 2.537 108 N HA 0.338 5.077 4.740 -0.001 0.000 0.281 108 N C 0.073 175.779 175.510 0.326 0.000 1.097 108 N CA -0.579 52.606 53.050 0.226 0.000 0.964 108 N CB 2.359 40.984 38.487 0.231 0.000 1.588 108 N HN 0.704 nan 8.380 nan 0.000 0.511 109 R N 1.382 122.019 120.500 0.229 0.000 2.339 109 R HA 0.210 4.550 4.340 -0.001 0.000 0.199 109 R C 0.916 177.363 176.300 0.246 0.000 1.018 109 R CA 0.853 57.135 56.100 0.303 0.000 1.036 109 R CB -0.051 30.273 30.300 0.040 0.000 0.899 109 R HN 0.732 nan 8.270 nan 0.000 0.473 110 G N -0.980 107.657 108.800 -0.272 0.000 2.361 110 G HA2 -0.002 3.957 3.960 -0.001 0.000 0.331 110 G HA3 -0.002 3.957 3.960 -0.001 0.000 0.331 110 G C -1.448 173.299 174.900 -0.256 0.000 1.324 110 G CA -1.131 43.591 45.100 -0.631 0.000 0.984 110 G HN -0.007 nan 8.290 nan 0.000 0.586 111 L N 0.088 121.263 121.223 -0.079 0.000 2.358 111 L HA 0.863 5.203 4.340 -0.001 0.000 0.268 111 L C 0.873 177.846 176.870 0.173 0.000 1.032 111 L CA -0.618 54.265 54.840 0.072 0.000 0.805 111 L CB 1.721 43.854 42.059 0.123 0.000 1.253 111 L HN 1.148 nan 8.230 nan 0.000 0.452 112 A N 0.679 123.595 122.820 0.160 0.000 2.387 112 A HA 0.763 5.083 4.320 -0.001 0.000 0.303 112 A C -1.908 175.799 177.584 0.205 0.000 1.145 112 A CA -0.379 51.776 52.037 0.196 0.000 0.801 112 A CB 1.629 20.731 19.000 0.171 0.000 1.342 112 A HN 0.601 nan 8.150 nan 0.000 0.440 113 Y N -1.055 119.279 120.300 0.057 0.000 2.504 113 Y HA 0.555 5.104 4.550 -0.001 0.000 0.344 113 Y C -1.909 174.069 175.900 0.130 0.000 1.023 113 Y CA -1.023 57.100 58.100 0.039 0.000 1.020 113 Y CB 1.708 40.156 38.460 -0.020 0.000 1.282 113 Y HN 0.830 nan 8.280 nan 0.000 0.454 114 W N 9.911 130.775 121.300 -0.726 0.000 2.619 114 W HA 0.505 5.165 4.660 -0.001 0.000 0.327 114 W C -2.321 173.695 176.519 -0.837 0.000 1.027 114 W CA -2.762 54.256 57.345 -0.546 0.000 1.233 114 W CB 2.015 31.312 29.460 -0.271 0.000 1.370 114 W HN 0.432 nan 8.180 nan 0.000 0.453 115 P HA -0.005 nan 4.420 nan 0.000 0.217 115 P C 0.373 177.132 177.300 -0.901 0.000 1.148 115 P CA 2.508 65.118 63.100 -0.817 0.000 0.828 115 P CB 0.104 31.496 31.700 -0.513 0.000 0.783 116 G N -0.303 107.439 108.800 -1.764 0.000 2.719 116 G HA2 -0.119 3.841 3.960 -0.001 0.000 0.686 116 G HA3 -0.119 3.841 3.960 -0.001 0.000 0.686 116 G C 0.122 174.536 174.900 -0.811 0.000 1.201 116 G CA -0.040 44.229 45.100 -1.385 0.000 0.768 116 G HN 0.269 nan 8.290 nan 0.000 0.629 117 D N 0.836 121.028 120.400 -0.347 0.000 2.527 117 D HA 0.318 4.958 4.640 -0.001 0.000 0.249 117 D C 1.672 177.949 176.300 -0.038 0.000 1.029 117 D CA 1.577 55.523 54.000 -0.091 0.000 0.951 117 D CB 0.200 41.078 40.800 0.130 0.000 1.093 117 D HN 1.641 nan 8.370 nan 0.000 0.464 118 G N -0.086 108.729 108.800 0.024 0.000 4.286 118 G HA2 -0.094 3.865 3.960 -0.001 0.000 0.204 118 G HA3 -0.094 3.865 3.960 -0.001 0.000 0.204 118 G C 1.309 176.235 174.900 0.043 0.000 1.218 118 G CA 0.045 45.157 45.100 0.019 0.000 1.010 118 G HN 0.080 nan 8.290 nan 0.000 0.384 119 K N 0.835 121.275 120.400 0.067 0.000 2.097 119 K HA 0.061 4.380 4.320 -0.001 0.000 0.205 119 K C 0.179 176.833 176.600 0.090 0.000 1.050 119 K CA 1.146 57.474 56.287 0.068 0.000 0.938 119 K CB -0.303 32.238 32.500 0.068 0.000 0.718 119 K HN 0.371 nan 8.250 nan 0.000 0.442 120 T N 3.542 118.186 114.554 0.150 0.000 2.824 120 T HA 0.326 4.676 4.350 -0.001 0.000 0.280 120 T C -2.432 172.386 174.700 0.198 0.000 0.995 120 T CA -1.494 60.728 62.100 0.204 0.000 1.009 120 T CB 2.166 71.223 68.868 0.315 0.000 0.955 120 T HN 0.132 nan 8.240 nan 0.000 0.452 121 P HA 0.396 nan 4.420 nan 0.000 0.277 121 P C -0.713 176.643 177.300 0.093 0.000 1.271 121 P CA -0.624 62.523 63.100 0.080 0.000 0.795 121 P CB 0.539 32.271 31.700 0.053 0.000 1.101 122 A N 1.101 123.917 122.820 -0.006 0.000 2.511 122 A HA 0.355 4.675 4.320 -0.001 0.000 0.242 122 A C 0.147 177.737 177.584 0.009 0.000 1.069 122 A CA 0.136 52.116 52.037 -0.095 0.000 0.763 122 A CB -0.815 18.170 19.000 -0.024 0.000 1.001 122 A HN 0.470 nan 8.150 nan 0.000 0.498 123 L N 2.602 123.815 121.223 -0.016 0.000 2.354 123 L HA 0.502 4.842 4.340 -0.001 0.000 0.269 123 L C -0.566 176.287 176.870 -0.028 0.000 1.005 123 L CA -0.800 54.043 54.840 0.005 0.000 0.819 123 L CB 1.769 43.858 42.059 0.050 0.000 1.311 123 L HN 0.481 nan 8.230 nan 0.000 0.423 124 I N 3.490 124.049 120.570 -0.019 0.000 2.339 124 I HA 0.383 4.553 4.170 -0.001 0.000 0.290 124 I C -0.321 175.761 176.117 -0.057 0.000 0.994 124 I CA -0.301 61.005 61.300 0.011 0.000 1.191 124 I CB 1.597 39.637 38.000 0.067 0.000 1.343 124 I HN 0.405 nan 8.210 nan 0.000 0.458 125 L N 7.890 129.092 121.223 -0.034 0.000 2.317 125 L HA 0.521 4.861 4.340 -0.001 0.000 0.281 125 L C 0.059 176.906 176.870 -0.038 0.000 1.024 125 L CA -0.442 54.339 54.840 -0.099 0.000 0.810 125 L CB 1.231 43.254 42.059 -0.059 0.000 1.240 125 L HN 0.565 nan 8.230 nan 0.000 0.427 126 K N 0.321 120.674 120.400 -0.079 0.000 2.512 126 K HA 0.815 5.134 4.320 -0.001 0.000 0.263 126 K C -1.074 175.506 176.600 -0.033 0.000 0.966 126 K CA -0.817 55.455 56.287 -0.026 0.000 0.851 126 K CB 2.100 34.598 32.500 -0.004 0.000 1.395 126 K HN 0.496 nan 8.250 nan 0.000 0.440 127 T N -1.081 113.477 114.554 0.007 0.000 2.912 127 T HA 0.413 4.763 4.350 -0.001 0.000 0.288 127 T C -0.552 174.169 174.700 0.036 0.000 1.030 127 T CA -0.867 61.245 62.100 0.020 0.000 1.020 127 T CB 1.597 70.492 68.868 0.046 0.000 1.056 127 T HN 0.605 nan 8.240 nan 0.000 0.480 128 Q N 1.248 121.074 119.800 0.043 0.000 2.377 128 Q HA 0.383 4.723 4.340 -0.001 0.000 0.271 128 Q C 0.734 176.803 176.000 0.115 0.000 1.077 128 Q CA -1.039 54.805 55.803 0.069 0.000 0.820 128 Q CB 2.618 31.380 28.738 0.041 0.000 1.347 128 Q HN 0.522 nan 8.270 nan 0.000 0.444 129 L N 2.272 123.611 121.223 0.194 0.000 2.129 129 L HA -0.198 4.142 4.340 -0.001 0.000 0.212 129 L C 1.213 178.173 176.870 0.151 0.000 1.087 129 L CA 2.359 57.322 54.840 0.205 0.000 0.757 129 L CB -0.326 41.948 42.059 0.360 0.000 0.896 129 L HN 0.893 nan 8.230 nan 0.000 0.434 130 D N -1.443 119.064 120.400 0.179 0.000 2.336 130 D HA 0.061 4.701 4.640 -0.001 0.000 0.229 130 D C 1.412 177.761 176.300 0.082 0.000 1.061 130 D CA 0.889 54.964 54.000 0.125 0.000 0.875 130 D CB -0.035 40.852 40.800 0.146 0.000 0.904 130 D HN 0.430 nan 8.370 nan 0.000 0.525 131 G N -0.421 108.425 108.800 0.076 0.000 2.195 131 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.224 131 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.224 131 G C 0.071 175.006 174.900 0.058 0.000 0.990 131 G CA -0.225 44.916 45.100 0.068 0.000 0.639 131 G HN 0.402 nan 8.290 nan 0.000 0.514 132 N N 0.092 118.818 118.700 0.044 0.000 2.524 132 N HA 0.532 5.272 4.740 -0.001 0.000 0.283 132 N C -0.253 175.256 175.510 -0.002 0.000 1.142 132 N CA 0.082 53.144 53.050 0.021 0.000 0.984 132 N CB 2.032 40.526 38.487 0.012 0.000 1.155 132 N HN 0.123 nan 8.380 nan 0.000 0.467 133 V N 0.846 120.744 119.914 -0.026 0.000 2.487 133 V HA 0.697 4.817 4.120 -0.001 0.000 0.298 133 V C -0.141 175.879 176.094 -0.124 0.000 1.028 133 V CA -0.800 61.462 62.300 -0.064 0.000 0.860 133 V CB 1.249 33.016 31.823 -0.094 0.000 0.991 133 V HN 0.792 nan 8.190 nan 0.000 0.427 134 A N 3.662 126.324 122.820 -0.264 0.000 2.401 134 A HA 0.984 5.304 4.320 -0.001 0.000 0.310 134 A C -0.349 176.793 177.584 -0.735 0.000 1.075 134 A CA -0.459 51.296 52.037 -0.469 0.000 0.746 134 A CB 1.867 20.707 19.000 -0.266 0.000 1.277 134 A HN 1.367 nan 8.150 nan 0.000 0.425 135 A N 1.519 123.659 122.820 -1.133 0.000 2.304 135 A HA 0.680 5.000 4.320 -0.001 0.000 0.314 135 A C -1.103 176.124 177.584 -0.594 0.000 1.187 135 A CA -0.285 51.144 52.037 -1.013 0.000 0.810 135 A CB 0.200 18.174 19.000 -1.711 0.000 1.183 135 A HN 0.676 nan 8.150 nan 0.000 0.487 136 L N 1.906 122.915 121.223 -0.357 0.000 2.334 136 L HA 0.407 4.747 4.340 -0.001 0.000 0.273 136 L C 0.599 177.330 176.870 -0.231 0.000 1.013 136 L CA -0.588 54.078 54.840 -0.290 0.000 0.816 136 L CB 1.340 43.253 42.059 -0.243 0.000 1.278 136 L HN 0.777 nan 8.230 nan 0.000 0.431 137 N N 1.466 120.005 118.700 -0.268 0.000 2.427 137 N HA 0.035 4.775 4.740 -0.001 0.000 0.269 137 N C 0.873 176.298 175.510 -0.142 0.000 1.235 137 N CA 0.490 53.433 53.050 -0.178 0.000 0.934 137 N CB 1.461 39.832 38.487 -0.193 0.000 1.121 137 N HN 0.783 nan 8.380 nan 0.000 0.480 138 A N 3.883 126.732 122.820 0.048 0.000 2.032 138 A HA -0.189 4.130 4.320 -0.001 0.000 0.221 138 A C 1.876 179.735 177.584 0.460 0.000 1.165 138 A CA 1.619 53.819 52.037 0.272 0.000 0.645 138 A CB -0.217 18.957 19.000 0.290 0.000 0.807 138 A HN 0.869 nan 8.150 nan 0.000 0.453 139 E N -1.531 118.803 120.200 0.224 0.000 2.251 139 E HA -0.063 4.287 4.350 -0.001 0.000 0.194 139 E C 1.938 178.606 176.600 0.113 0.000 0.964 139 E CA 1.078 57.634 56.400 0.260 0.000 0.868 139 E CB 0.248 30.037 29.700 0.148 0.000 0.828 139 E HN 0.724 nan 8.360 nan 0.000 0.481 140 T N -4.141 110.286 114.554 -0.211 0.000 3.000 140 T HA 0.274 4.624 4.350 -0.001 0.000 0.248 140 T C 1.510 175.606 174.700 -1.006 0.000 1.034 140 T CA 0.684 62.559 62.100 -0.375 0.000 1.060 140 T CB 0.825 69.565 68.868 -0.213 0.000 0.983 140 T HN 0.234 nan 8.240 nan 0.000 0.482 141 G N 2.335 110.262 108.800 -1.455 0.000 2.176 141 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.253 141 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.253 141 G C -0.135 174.266 174.900 -0.832 0.000 0.979 141 G CA 0.233 44.127 45.100 -2.009 0.000 0.641 141 G HN 1.024 nan 8.290 nan 0.000 0.530 142 E N 0.651 120.542 120.200 -0.515 0.000 2.373 142 E HA 0.505 4.855 4.350 -0.001 0.000 0.263 142 E C -0.351 176.089 176.600 -0.268 0.000 1.073 142 E CA -0.215 56.006 56.400 -0.299 0.000 0.894 142 E CB 0.630 30.211 29.700 -0.199 0.000 1.008 142 E HN 0.061 nan 8.360 nan 0.000 0.420 143 T N 2.242 116.675 114.554 -0.201 0.000 2.779 143 T HA 0.083 4.433 4.350 -0.001 0.000 0.296 143 T C 1.062 175.668 174.700 -0.157 0.000 0.938 143 T CA -0.538 61.445 62.100 -0.195 0.000 1.119 143 T CB 1.087 69.866 68.868 -0.149 0.000 0.891 143 T HN 0.389 nan 8.240 nan 0.000 0.526 144 V N 3.260 123.051 119.914 -0.205 0.000 2.500 144 V HA 0.186 4.306 4.120 -0.001 0.000 0.243 144 V C 0.567 176.678 176.094 0.028 0.000 1.039 144 V CA 0.808 63.046 62.300 -0.105 0.000 1.053 144 V CB -0.143 31.608 31.823 -0.121 0.000 0.695 144 V HN 0.928 nan 8.190 nan 0.000 0.463 145 W N -0.659 120.583 121.300 -0.098 0.000 3.146 145 W HA 0.696 5.356 4.660 -0.001 0.000 0.319 145 W C -1.311 175.138 176.519 -0.116 0.000 1.258 145 W CA -1.060 56.223 57.345 -0.103 0.000 1.189 145 W CB 1.660 31.050 29.460 -0.116 0.000 1.412 145 W HN -0.114 nan 8.180 nan 0.000 0.567 146 K N 2.044 122.644 120.400 0.334 0.000 2.553 146 K HA 0.539 4.859 4.320 -0.001 0.000 0.250 146 K C -1.602 175.115 176.600 0.195 0.000 0.953 146 K CA -0.477 55.922 56.287 0.186 0.000 0.800 146 K CB 2.577 35.089 32.500 0.019 0.000 1.243 146 K HN 0.595 nan 8.250 nan 0.000 0.435 147 V N -0.339 119.672 119.914 0.162 0.000 3.040 147 V HA 0.571 4.691 4.120 -0.001 0.000 0.312 147 V C -0.866 175.233 176.094 0.008 0.000 1.115 147 V CA -0.978 61.344 62.300 0.036 0.000 0.998 147 V CB 1.845 33.617 31.823 -0.084 0.000 1.042 147 V HN 0.824 nan 8.190 nan 0.000 0.433 148 E N 1.670 121.887 120.200 0.028 0.000 2.194 148 E HA 0.295 4.645 4.350 -0.001 0.000 0.284 148 E C 0.006 176.667 176.600 0.102 0.000 1.035 148 E CA 0.102 56.535 56.400 0.055 0.000 0.836 148 E CB 1.389 31.122 29.700 0.055 0.000 1.070 148 E HN 0.834 nan 8.360 nan 0.000 0.401 149 N N 1.346 120.119 118.700 0.122 0.000 2.564 149 N HA 0.016 4.756 4.740 -0.001 0.000 0.202 149 N C -0.508 175.151 175.510 0.247 0.000 1.052 149 N CA 0.200 53.382 53.050 0.220 0.000 0.872 149 N CB 0.811 39.415 38.487 0.195 0.000 1.303 149 N HN 0.162 nan 8.380 nan 0.000 0.440 150 S N -0.236 115.565 115.700 0.169 0.000 2.526 150 S HA 0.272 4.742 4.470 -0.001 0.000 0.293 150 S C -1.751 172.919 174.600 0.115 0.000 1.092 150 S CA -0.711 57.593 58.200 0.174 0.000 0.980 150 S CB 1.854 65.121 63.200 0.112 0.000 1.048 150 S HN 0.271 nan 8.310 nan 0.000 0.483 151 D N 1.616 122.081 120.400 0.108 0.000 2.392 151 D HA 0.297 4.937 4.640 -0.001 0.000 0.228 151 D C 1.260 177.584 176.300 0.041 0.000 1.074 151 D CA -0.835 53.204 54.000 0.065 0.000 0.838 151 D CB 0.474 41.307 40.800 0.055 0.000 1.067 151 D HN 0.515 nan 8.370 nan 0.000 0.511 152 I N 1.113 121.698 120.570 0.024 0.000 2.454 152 I HA -0.125 4.045 4.170 -0.001 0.000 0.254 152 I C 1.501 177.603 176.117 -0.026 0.000 1.156 152 I CA 0.672 61.969 61.300 -0.005 0.000 1.433 152 I CB -0.076 37.921 38.000 -0.006 0.000 1.082 152 I HN 0.166 nan 8.210 nan 0.000 0.432 153 K N 0.919 121.310 120.400 -0.015 0.000 2.360 153 K HA -0.014 4.306 4.320 -0.001 0.000 0.201 153 K C 1.509 178.084 176.600 -0.042 0.000 1.046 153 K CA 1.062 57.332 56.287 -0.029 0.000 0.940 153 K CB 0.097 32.587 32.500 -0.016 0.000 0.748 153 K HN 0.319 nan 8.250 nan 0.000 0.465 154 V N -0.865 119.035 119.914 -0.024 0.000 3.578 154 V HA 0.171 4.291 4.120 -0.001 0.000 0.290 154 V C 1.034 177.108 176.094 -0.034 0.000 1.376 154 V CA 0.640 62.928 62.300 -0.020 0.000 1.083 154 V CB 0.696 32.534 31.823 0.026 0.000 0.911 154 V HN 0.538 nan 8.190 nan 0.000 0.433 155 G N 0.341 109.102 108.800 -0.065 0.000 2.194 155 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.236 155 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.236 155 G C 0.483 175.346 174.900 -0.062 0.000 0.987 155 G CA 0.319 45.351 45.100 -0.113 0.000 0.635 155 G HN 0.506 nan 8.290 nan 0.000 0.520 156 S N 1.557 117.260 115.700 0.004 0.000 2.474 156 S HA 0.646 5.115 4.470 -0.001 0.000 0.276 156 S C 0.757 175.369 174.600 0.021 0.000 1.227 156 S CA 1.014 59.236 58.200 0.036 0.000 1.050 156 S CB 0.530 63.798 63.200 0.113 0.000 0.939 156 S HN 1.211 nan 8.310 nan 0.000 0.490 157 T N 2.844 117.400 114.554 0.004 0.000 2.724 157 T HA 0.731 5.080 4.350 -0.001 0.000 0.274 157 T C -0.707 174.005 174.700 0.020 0.000 0.984 157 T CA -0.956 61.151 62.100 0.011 0.000 1.024 157 T CB 0.744 69.605 68.868 -0.011 0.000 1.320 157 T HN 0.478 nan 8.240 nan 0.000 0.555 158 L N 0.898 122.145 121.223 0.039 0.000 2.436 158 L HA 0.566 4.906 4.340 -0.001 0.000 0.268 158 L C 0.460 177.371 176.870 0.069 0.000 0.974 158 L CA -0.677 54.193 54.840 0.050 0.000 0.826 158 L CB 2.671 44.763 42.059 0.055 0.000 1.291 158 L HN 1.177 nan 8.230 nan 0.000 0.406 159 T N -1.063 113.537 114.554 0.076 0.000 3.028 159 T HA 0.261 4.611 4.350 -0.001 0.000 0.262 159 T C 0.619 175.380 174.700 0.100 0.000 0.916 159 T CA -0.087 62.071 62.100 0.097 0.000 0.873 159 T CB 0.548 69.468 68.868 0.086 0.000 1.232 159 T HN 0.268 nan 8.240 nan 0.000 0.529 160 I N 2.595 123.220 120.570 0.091 0.000 2.938 160 I HA 0.517 4.686 4.170 -0.001 0.000 0.285 160 I C 0.512 176.667 176.117 0.064 0.000 1.182 160 I CA -0.599 60.726 61.300 0.043 0.000 1.388 160 I CB 0.928 38.955 38.000 0.045 0.000 1.390 160 I HN 0.418 nan 8.210 nan 0.000 0.600 161 A N 7.425 130.288 122.820 0.072 0.000 2.304 161 A HA 0.649 4.969 4.320 -0.001 0.000 0.301 161 A C -2.474 175.257 177.584 0.246 0.000 1.132 161 A CA -1.433 50.701 52.037 0.161 0.000 0.819 161 A CB 0.380 19.535 19.000 0.258 0.000 1.094 161 A HN 0.478 nan 8.150 nan 0.000 0.492 162 P HA 0.312 nan 4.420 nan 0.000 0.273 162 P C -1.325 176.174 177.300 0.331 0.000 1.250 162 P CA 0.226 63.449 63.100 0.206 0.000 0.793 162 P CB 0.259 32.032 31.700 0.122 0.000 1.011 163 Y N -0.119 120.192 120.300 0.018 0.000 2.361 163 Y HA 0.394 4.944 4.550 -0.001 0.000 0.328 163 Y C -1.190 174.696 175.900 -0.023 0.000 1.044 163 Y CA -0.854 57.249 58.100 0.005 0.000 1.085 163 Y CB 1.339 39.654 38.460 -0.243 0.000 1.194 163 Y HN -0.024 nan 8.280 nan 0.000 0.438 164 V N 6.655 126.473 119.914 -0.160 0.000 2.370 164 V HA 0.554 4.674 4.120 -0.001 0.000 0.279 164 V C -0.685 175.332 176.094 -0.128 0.000 1.029 164 V CA -0.684 61.566 62.300 -0.083 0.000 0.870 164 V CB 1.227 33.084 31.823 0.057 0.000 0.984 164 V HN 0.529 nan 8.190 nan 0.000 0.451 165 V N 5.837 125.660 119.914 -0.153 0.000 2.531 165 V HA 0.507 4.626 4.120 -0.001 0.000 0.301 165 V C 0.497 176.503 176.094 -0.146 0.000 1.034 165 V CA -0.765 61.352 62.300 -0.305 0.000 0.865 165 V CB 1.280 32.748 31.823 -0.591 0.000 0.995 165 V HN 0.974 nan 8.190 nan 0.000 0.424 166 K N 2.606 122.975 120.400 -0.052 0.000 1.692 166 K HA -0.270 4.050 4.320 -0.001 0.000 0.132 166 K C -0.169 176.523 176.600 0.153 0.000 1.028 166 K CA 2.110 58.433 56.287 0.060 0.000 0.304 166 K CB -0.578 31.930 32.500 0.014 0.000 0.686 166 K HN 0.774 nan 8.250 nan 0.000 0.815 167 D N 2.016 122.464 120.400 0.079 0.000 2.772 167 D HA 0.274 4.914 4.640 -0.001 0.000 0.272 167 D C -0.963 175.244 176.300 -0.156 0.000 1.314 167 D CA 0.165 54.176 54.000 0.018 0.000 0.835 167 D CB 0.399 41.236 40.800 0.062 0.000 1.080 167 D HN 0.133 nan 8.370 nan 0.000 0.482 168 K N -0.512 119.809 120.400 -0.133 0.000 2.482 168 K HA 0.669 4.989 4.320 -0.001 0.000 0.257 168 K C -1.035 175.484 176.600 -0.135 0.000 0.969 168 K CA -1.041 55.150 56.287 -0.159 0.000 0.842 168 K CB 3.016 35.427 32.500 -0.149 0.000 1.359 168 K HN -0.248 nan 8.250 nan 0.000 0.441 169 V N 2.683 122.537 119.914 -0.100 0.000 2.459 169 V HA 0.389 4.509 4.120 -0.001 0.000 0.295 169 V C -0.418 175.628 176.094 -0.081 0.000 1.029 169 V CA -0.965 61.316 62.300 -0.032 0.000 0.874 169 V CB 1.481 33.358 31.823 0.090 0.000 0.985 169 V HN 0.579 nan 8.190 nan 0.000 0.438 170 I N 5.734 126.227 120.570 -0.128 0.000 2.321 170 I HA 0.437 4.606 4.170 -0.001 0.000 0.291 170 I C -0.397 175.663 176.117 -0.095 0.000 0.998 170 I CA -0.443 60.709 61.300 -0.247 0.000 1.227 170 I CB 1.393 39.114 38.000 -0.465 0.000 1.368 170 I HN 0.337 nan 8.210 nan 0.000 0.466 171 I N 5.430 125.980 120.570 -0.033 0.000 2.378 171 I HA 0.415 4.584 4.170 -0.001 0.000 0.291 171 I C 0.979 177.103 176.117 0.012 0.000 0.992 171 I CA -0.187 61.152 61.300 0.066 0.000 1.154 171 I CB 1.189 39.289 38.000 0.167 0.000 1.315 171 I HN 0.604 nan 8.210 nan 0.000 0.448 172 G N 4.792 113.628 108.800 0.061 0.000 2.580 172 G HA2 0.544 4.504 3.960 -0.001 0.000 0.225 172 G HA3 0.544 4.504 3.960 -0.001 0.000 0.225 172 G C -0.359 174.456 174.900 -0.141 0.000 1.521 172 G CA 0.011 45.089 45.100 -0.037 0.000 1.068 172 G HN 0.717 nan 8.290 nan 0.000 0.564 173 S N -2.964 112.670 115.700 -0.111 0.000 2.567 173 S HA 0.691 5.161 4.470 -0.001 0.000 0.270 173 S C -1.062 173.552 174.600 0.023 0.000 1.152 173 S CA -0.661 57.439 58.200 -0.167 0.000 0.835 173 S CB 1.710 64.596 63.200 -0.523 0.000 1.115 173 S HN 0.824 nan 8.310 nan 0.000 0.459 174 S N -0.550 115.156 115.700 0.010 0.000 2.546 174 S HA 0.916 5.386 4.470 -0.001 0.000 0.274 174 S C 0.454 175.056 174.600 0.004 0.000 1.121 174 S CA -0.205 58.007 58.200 0.021 0.000 0.887 174 S CB 1.609 64.776 63.200 -0.055 0.000 1.094 174 S HN 2.161 nan 8.310 nan 0.000 0.474 175 G N 0.191 108.994 108.800 0.006 0.000 2.870 175 G HA2 0.061 4.021 3.960 -0.001 0.000 0.216 175 G HA3 0.061 4.021 3.960 -0.001 0.000 0.216 175 G C 0.860 175.817 174.900 0.096 0.000 0.973 175 G CA 0.408 45.520 45.100 0.022 0.000 0.807 175 G HN 0.962 nan 8.290 nan 0.000 0.573 176 A N 0.620 123.538 122.820 0.163 0.000 1.997 176 A HA 0.014 4.334 4.320 -0.001 0.000 0.221 176 A C 1.849 179.611 177.584 0.297 0.000 1.172 176 A CA 2.393 54.585 52.037 0.258 0.000 0.645 176 A CB -0.258 18.929 19.000 0.311 0.000 0.813 176 A HN 0.402 nan 8.150 nan 0.000 0.454 177 E N -1.277 119.068 120.200 0.242 0.000 2.472 177 E HA 0.029 4.379 4.350 -0.001 0.000 0.200 177 E C 0.216 176.940 176.600 0.208 0.000 1.046 177 E CA 0.511 57.062 56.400 0.252 0.000 0.871 177 E CB -0.039 29.803 29.700 0.237 0.000 0.806 177 E HN 0.526 nan 8.360 nan 0.000 0.533 178 L N -1.319 119.982 121.223 0.130 0.000 3.288 178 L HA 0.361 4.701 4.340 -0.001 0.000 0.293 178 L C 0.866 177.876 176.870 0.233 0.000 1.294 178 L CA 0.051 54.927 54.840 0.061 0.000 1.006 178 L CB 0.766 42.690 42.059 -0.225 0.000 1.407 178 L HN 0.037 nan 8.230 nan 0.000 0.592 179 G N 0.171 109.198 108.800 0.378 0.000 2.305 179 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.287 179 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.287 179 G C 0.167 175.168 174.900 0.169 0.000 1.036 179 G CA 0.340 45.636 45.100 0.327 0.000 0.887 179 G HN 0.177 nan 8.290 nan 0.000 0.505 180 V N 0.666 120.690 119.914 0.184 0.000 2.461 180 V HA 0.291 4.410 4.120 -0.001 0.000 0.275 180 V C 1.274 177.488 176.094 0.201 0.000 1.047 180 V CA -0.534 61.866 62.300 0.168 0.000 0.955 180 V CB 1.395 33.312 31.823 0.156 0.000 0.988 180 V HN 0.524 nan 8.190 nan 0.000 0.471 181 R N 3.974 124.597 120.500 0.205 0.000 2.351 181 R HA 0.318 4.658 4.340 -0.001 0.000 0.318 181 R C 0.590 177.129 176.300 0.398 0.000 1.055 181 R CA -0.084 56.176 56.100 0.266 0.000 0.968 181 R CB 0.395 30.837 30.300 0.237 0.000 0.974 181 R HN 0.909 nan 8.270 nan 0.000 0.439 182 G N 3.586 112.590 108.800 0.339 0.000 2.491 182 G HA2 0.208 4.168 3.960 -0.001 0.000 0.242 182 G HA3 0.208 4.168 3.960 -0.001 0.000 0.242 182 G C -1.167 173.917 174.900 0.307 0.000 1.266 182 G CA -0.166 45.094 45.100 0.268 0.000 0.844 182 G HN 0.742 nan 8.290 nan 0.000 0.571 183 Y N -0.494 119.793 120.300 -0.022 0.000 2.465 183 Y HA 0.551 5.101 4.550 -0.001 0.000 0.323 183 Y C -0.992 174.801 175.900 -0.178 0.000 1.191 183 Y CA -1.843 56.108 58.100 -0.248 0.000 1.082 183 Y CB 0.627 38.664 38.460 -0.705 0.000 1.334 183 Y HN 0.711 nan 8.280 nan 0.000 0.449 184 L N 1.111 122.261 121.223 -0.122 0.000 2.334 184 L HA 1.063 5.402 4.340 -0.001 0.000 0.273 184 L C -0.968 175.796 176.870 -0.177 0.000 1.013 184 L CA -0.702 54.030 54.840 -0.180 0.000 0.816 184 L CB 2.440 44.363 42.059 -0.227 0.000 1.278 184 L HN 0.770 nan 8.230 nan 0.000 0.431 185 T N 1.562 115.937 114.554 -0.298 0.000 2.893 185 T HA 0.776 5.126 4.350 -0.001 0.000 0.291 185 T C -0.493 173.687 174.700 -0.867 0.000 1.028 185 T CA -0.498 61.262 62.100 -0.566 0.000 0.995 185 T CB 1.836 70.426 68.868 -0.463 0.000 1.051 185 T HN 0.886 nan 8.240 nan 0.000 0.470 186 A N 2.368 124.382 122.820 -1.343 0.000 2.303 186 A HA 0.789 5.109 4.320 -0.001 0.000 0.320 186 A C -1.472 175.557 177.584 -0.925 0.000 1.192 186 A CA -0.600 50.714 52.037 -1.206 0.000 0.821 186 A CB 0.377 18.224 19.000 -1.923 0.000 1.188 186 A HN 0.783 nan 8.150 nan 0.000 0.492 187 Y N 0.380 120.420 120.300 -0.433 0.000 2.567 187 Y HA 0.381 4.931 4.550 -0.000 0.000 0.333 187 Y C 0.392 176.081 175.900 -0.351 0.000 1.106 187 Y CA -0.755 57.120 58.100 -0.374 0.000 1.157 187 Y CB 1.292 39.541 38.460 -0.351 0.000 1.277 187 Y HN 0.663 nan 8.280 nan 0.000 0.490 188 D N 1.312 121.584 120.400 -0.214 0.000 2.338 188 D HA -0.012 4.628 4.640 -0.001 0.000 0.255 188 D C 0.947 177.055 176.300 -0.321 0.000 1.237 188 D CA 0.406 54.248 54.000 -0.263 0.000 0.883 188 D CB 1.592 42.231 40.800 -0.268 0.000 1.087 188 D HN 0.525 nan 8.370 nan 0.000 0.485 189 V N 5.334 125.064 119.914 -0.307 0.000 2.439 189 V HA -0.265 3.855 4.120 -0.001 0.000 0.253 189 V C 2.140 178.082 176.094 -0.253 0.000 1.074 189 V CA 1.897 64.010 62.300 -0.311 0.000 1.076 189 V CB -0.146 31.195 31.823 -0.803 0.000 0.664 189 V HN 0.531 nan 8.190 nan 0.000 0.461 190 K N -0.489 119.668 120.400 -0.405 0.000 2.076 190 K HA -0.063 4.257 4.320 -0.001 0.000 0.204 190 K C 1.936 178.433 176.600 -0.171 0.000 1.051 190 K CA 1.855 57.984 56.287 -0.265 0.000 0.949 190 K CB -0.175 32.182 32.500 -0.238 0.000 0.726 190 K HN 0.719 nan 8.250 nan 0.000 0.443 191 T N -4.592 109.717 114.554 -0.409 0.000 2.959 191 T HA 0.232 4.582 4.350 -0.001 0.000 0.254 191 T C 1.266 175.355 174.700 -1.018 0.000 1.003 191 T CA 0.463 62.258 62.100 -0.508 0.000 0.950 191 T CB 1.042 69.729 68.868 -0.303 0.000 1.090 191 T HN 0.292 nan 8.240 nan 0.000 0.503 192 G N 1.675 109.580 108.800 -1.492 0.000 2.157 192 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.248 192 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.248 192 G C -0.173 174.325 174.900 -0.669 0.000 0.979 192 G CA 0.196 44.217 45.100 -1.798 0.000 0.650 192 G HN 0.902 nan 8.290 nan 0.000 0.529 193 E N 0.667 120.599 120.200 -0.447 0.000 2.344 193 E HA 0.361 4.711 4.350 -0.001 0.000 0.270 193 E C 0.550 177.054 176.600 -0.159 0.000 1.021 193 E CA -0.398 55.865 56.400 -0.229 0.000 0.887 193 E CB 0.283 29.860 29.700 -0.206 0.000 0.997 193 E HN 0.422 nan 8.360 nan 0.000 0.429 194 Q N 3.645 123.362 119.800 -0.137 0.000 2.286 194 Q HA 0.061 4.401 4.340 -0.001 0.000 0.267 194 Q C 0.092 175.927 176.000 -0.276 0.000 1.028 194 Q CA -0.400 55.209 55.803 -0.322 0.000 0.901 194 Q CB 1.109 29.674 28.738 -0.289 0.000 1.183 194 Q HN 0.613 nan 8.270 nan 0.000 0.392 195 V N 5.674 125.375 119.914 -0.355 0.000 2.436 195 V HA 0.149 4.269 4.120 -0.001 0.000 0.240 195 V C 0.369 176.429 176.094 -0.057 0.000 1.040 195 V CA 0.784 62.969 62.300 -0.191 0.000 1.052 195 V CB -0.130 31.581 31.823 -0.186 0.000 0.707 195 V HN 0.856 nan 8.190 nan 0.000 0.469 196 W N -0.100 121.066 121.300 -0.224 0.000 3.167 196 W HA 0.742 5.402 4.660 -0.000 0.000 0.324 196 W C -0.960 175.425 176.519 -0.223 0.000 1.230 196 W CA -0.999 56.234 57.345 -0.186 0.000 1.184 196 W CB 1.786 31.159 29.460 -0.144 0.000 1.414 196 W HN -0.022 nan 8.180 nan 0.000 0.551 197 R N 1.812 122.428 120.500 0.194 0.000 2.515 197 R HA 0.635 4.975 4.340 -0.001 0.000 0.291 197 R C -1.615 174.747 176.300 0.104 0.000 1.046 197 R CA -0.258 55.867 56.100 0.041 0.000 0.914 197 R CB 1.690 31.909 30.300 -0.135 0.000 1.191 197 R HN 0.694 nan 8.270 nan 0.000 0.435 198 A N 4.029 126.919 122.820 0.116 0.000 2.350 198 A HA 0.622 4.942 4.320 -0.001 0.000 0.324 198 A C -1.565 175.978 177.584 -0.069 0.000 1.118 198 A CA -0.536 51.532 52.037 0.050 0.000 0.783 198 A CB 0.713 19.721 19.000 0.012 0.000 1.236 198 A HN 0.652 nan 8.150 nan 0.000 0.457 199 Y N 0.402 120.736 120.300 0.057 0.000 2.488 199 Y HA 0.504 5.054 4.550 -0.001 0.000 0.325 199 Y C 1.273 177.214 175.900 0.068 0.000 1.204 199 Y CA 0.209 58.376 58.100 0.111 0.000 1.229 199 Y CB 1.847 40.366 38.460 0.099 0.000 1.274 199 Y HN 0.699 nan 8.280 nan 0.000 0.493 200 A N 0.139 123.150 122.820 0.317 0.000 2.267 200 A HA 0.251 4.571 4.320 -0.001 0.000 0.213 200 A C 0.495 178.341 177.584 0.436 0.000 1.192 200 A CA 0.919 53.151 52.037 0.325 0.000 0.851 200 A CB -0.495 18.713 19.000 0.348 0.000 0.881 200 A HN 0.714 nan 8.150 nan 0.000 0.494 201 T N -5.325 109.435 114.554 0.344 0.000 2.816 201 T HA 0.659 5.008 4.350 -0.001 0.000 0.299 201 T C 0.174 174.863 174.700 -0.018 0.000 1.230 201 T CA 0.125 62.369 62.100 0.241 0.000 1.007 201 T CB 1.260 70.223 68.868 0.158 0.000 1.289 201 T HN 1.968 nan 8.240 nan 0.000 0.508 202 G N 1.132 109.691 108.800 -0.402 0.000 2.548 202 G HA2 0.072 4.032 3.960 -0.001 0.000 0.208 202 G HA3 0.072 4.032 3.960 -0.001 0.000 0.208 202 G C -3.024 171.478 174.900 -0.663 0.000 1.308 202 G CA -0.621 43.796 45.100 -1.138 0.000 0.924 202 G HN 0.875 nan 8.290 nan 0.000 0.540 203 P HA 0.162 nan 4.420 nan 0.000 0.265 203 P C 0.414 177.609 177.300 -0.176 0.000 1.187 203 P CA 0.329 63.232 63.100 -0.329 0.000 0.766 203 P CB 0.327 31.863 31.700 -0.273 0.000 0.820 204 D N 2.288 122.630 120.400 -0.097 0.000 2.221 204 D HA -0.186 4.454 4.640 -0.001 0.000 0.204 204 D C 1.623 177.874 176.300 -0.081 0.000 0.982 204 D CA 1.335 55.298 54.000 -0.062 0.000 0.857 204 D CB -0.094 40.687 40.800 -0.032 0.000 0.934 204 D HN 0.486 nan 8.370 nan 0.000 0.475 205 K N 0.592 120.943 120.400 -0.081 0.000 2.057 205 K HA -0.156 4.164 4.320 -0.001 0.000 0.207 205 K C 1.173 177.742 176.600 -0.050 0.000 1.049 205 K CA 1.271 57.519 56.287 -0.066 0.000 0.931 205 K CB 0.189 32.651 32.500 -0.063 0.000 0.714 205 K HN -0.052 nan 8.250 nan 0.000 0.440 206 D N 0.650 121.009 120.400 -0.069 0.000 2.224 206 D HA -0.087 4.553 4.640 -0.001 0.000 0.205 206 D C 1.806 178.166 176.300 0.100 0.000 0.965 206 D CA 0.725 54.727 54.000 0.003 0.000 0.852 206 D CB 0.065 40.759 40.800 -0.177 0.000 0.947 206 D HN 0.266 nan 8.370 nan 0.000 0.494 207 L N -0.164 121.053 121.223 -0.009 0.000 2.291 207 L HA -0.001 4.339 4.340 -0.001 0.000 0.214 207 L C 0.448 177.220 176.870 -0.164 0.000 1.120 207 L CA -0.143 54.654 54.840 -0.072 0.000 0.799 207 L CB -0.051 41.937 42.059 -0.118 0.000 0.925 207 L HN -0.015 nan 8.230 nan 0.000 0.446 208 L N 0.995 122.140 121.223 -0.130 0.000 3.755 208 L HA -0.210 4.130 4.340 -0.001 0.000 0.587 208 L C -0.492 176.226 176.870 -0.254 0.000 1.235 208 L CA 0.569 55.308 54.840 -0.169 0.000 0.876 208 L CB -0.748 41.210 42.059 -0.168 0.000 1.431 208 L HN 0.045 nan 8.230 nan 0.000 0.840 209 L N 1.905 122.972 121.223 -0.259 0.000 2.325 209 L HA 0.770 5.110 4.340 -0.001 0.000 0.279 209 L C 1.124 177.898 176.870 -0.160 0.000 1.054 209 L CA -0.133 54.506 54.840 -0.334 0.000 0.804 209 L CB 1.366 43.142 42.059 -0.471 0.000 1.200 209 L HN 0.517 nan 8.230 nan 0.000 0.436 210 A N 1.321 124.091 122.820 -0.082 0.000 2.386 210 A HA 0.241 4.560 4.320 -0.001 0.000 0.248 210 A C 1.248 178.862 177.584 0.050 0.000 1.082 210 A CA 0.193 52.225 52.037 -0.008 0.000 0.789 210 A CB 0.458 19.477 19.000 0.032 0.000 1.025 210 A HN 0.921 nan 8.150 nan 0.000 0.490 211 S N 0.391 116.110 115.700 0.031 0.000 2.469 211 S HA -0.142 4.327 4.470 -0.001 0.000 0.238 211 S C 0.636 175.282 174.600 0.077 0.000 0.998 211 S CA 1.369 59.596 58.200 0.046 0.000 0.957 211 S CB -0.272 62.942 63.200 0.023 0.000 0.764 211 S HN 0.814 nan 8.310 nan 0.000 0.514 212 D N -0.237 120.217 120.400 0.090 0.000 2.559 212 D HA 0.116 4.755 4.640 -0.001 0.000 0.234 212 D C -0.101 176.277 176.300 0.130 0.000 1.226 212 D CA -0.941 53.111 54.000 0.088 0.000 0.830 212 D CB -0.888 39.944 40.800 0.053 0.000 1.028 212 D HN 0.334 nan 8.370 nan 0.000 0.492 213 F N 2.815 122.772 119.950 0.012 0.000 2.593 213 F HA 0.054 4.581 4.527 -0.000 0.000 0.393 213 F C 0.732 176.555 175.800 0.037 0.000 1.037 213 F CA -0.029 57.983 58.000 0.019 0.000 1.195 213 F CB 0.009 39.009 39.000 0.001 0.000 1.034 213 F HN -0.080 nan 8.300 nan 0.000 0.552 214 N N 4.462 122.858 118.700 -0.507 0.000 2.708 214 N HA -0.323 4.417 4.740 -0.001 0.000 0.249 214 N C 1.301 176.659 175.510 -0.254 0.000 1.097 214 N CA 1.191 53.952 53.050 -0.482 0.000 0.710 214 N CB -1.617 36.433 38.487 -0.728 0.000 1.032 214 N HN 0.839 nan 8.380 nan 0.000 0.551 215 I N -0.466 120.027 120.570 -0.127 0.000 2.454 215 I HA -0.210 3.959 4.170 -0.001 0.000 0.254 215 I C 1.699 177.757 176.117 -0.098 0.000 1.156 215 I CA 1.282 62.538 61.300 -0.073 0.000 1.433 215 I CB 0.165 38.151 38.000 -0.024 0.000 1.082 215 I HN 0.039 nan 8.210 nan 0.000 0.432 216 K N 0.744 121.061 120.400 -0.138 0.000 2.400 216 K HA 0.130 4.450 4.320 -0.001 0.000 0.194 216 K C 0.009 176.480 176.600 -0.214 0.000 1.033 216 K CA 0.451 56.648 56.287 -0.150 0.000 1.021 216 K CB -0.041 32.370 32.500 -0.149 0.000 0.808 216 K HN 0.381 nan 8.250 nan 0.000 0.505 217 N N 0.814 119.309 118.700 -0.341 0.000 2.687 217 N HA 0.092 4.832 4.740 -0.001 0.000 0.275 217 N C -2.251 173.012 175.510 -0.411 0.000 1.789 217 N CA -0.855 51.883 53.050 -0.522 0.000 0.806 217 N CB 1.506 39.120 38.487 -1.456 0.000 1.256 217 N HN -0.062 nan 8.380 nan 0.000 0.500 218 P HA -0.207 nan 4.420 nan 0.000 0.220 218 P C 1.083 178.429 177.300 0.077 0.000 1.144 218 P CA 1.449 64.541 63.100 -0.013 0.000 0.800 218 P CB -0.036 31.678 31.700 0.024 0.000 0.772 219 H N -2.544 116.501 119.070 -0.043 0.000 2.524 219 H HA -0.072 4.484 4.556 -0.000 0.000 0.282 219 H C 1.590 177.047 175.328 0.215 0.000 1.016 219 H CA 0.602 56.691 56.048 0.068 0.000 1.270 219 H CB -1.478 28.324 29.762 0.066 0.000 1.394 219 H HN 0.119 nan 8.280 nan 0.000 0.568 220 Y N 1.892 122.018 120.300 -0.290 0.000 2.333 220 Y HA 0.164 4.714 4.550 -0.000 0.000 0.290 220 Y C 1.795 177.716 175.900 0.036 0.000 1.144 220 Y CA 0.688 58.703 58.100 -0.140 0.000 1.228 220 Y CB -0.481 37.900 38.460 -0.132 0.000 0.985 220 Y HN 0.558 nan 8.280 nan 0.000 0.542 221 G N -0.864 108.071 108.800 0.225 0.000 2.484 221 G HA2 0.016 3.975 3.960 -0.001 0.000 0.685 221 G HA3 0.016 3.975 3.960 -0.001 0.000 0.685 221 G C -0.513 174.594 174.900 0.345 0.000 1.294 221 G CA -0.290 44.961 45.100 0.251 0.000 0.879 221 G HN 0.157 nan 8.290 nan 0.000 0.646 222 Q N -0.244 119.782 119.800 0.377 0.000 1.906 222 Q HA 0.328 4.668 4.340 -0.001 0.000 0.173 222 Q C 0.383 176.691 176.000 0.514 0.000 0.547 222 Q CA -0.648 55.440 55.803 0.476 0.000 0.613 222 Q CB 0.649 29.547 28.738 0.267 0.000 1.757 222 Q HN 0.540 nan 8.270 nan 0.000 0.235 223 K N 0.347 120.934 120.400 0.313 0.000 2.168 223 K HA 0.373 4.693 4.320 -0.001 0.000 0.258 223 K C 0.566 177.280 176.600 0.189 0.000 1.010 223 K CA 0.593 57.015 56.287 0.225 0.000 0.929 223 K CB 0.457 33.041 32.500 0.140 0.000 0.998 223 K HN 0.720 nan 8.250 nan 0.000 0.479 224 G N 0.586 109.471 108.800 0.141 0.000 2.228 224 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.270 224 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.270 224 G C 0.591 175.546 174.900 0.092 0.000 0.976 224 G CA 0.353 45.507 45.100 0.091 0.000 0.636 224 G HN 0.412 nan 8.290 nan 0.000 0.542 225 L N 1.360 122.674 121.223 0.152 0.000 2.376 225 L HA 0.269 4.609 4.340 -0.001 0.000 0.219 225 L C 2.862 179.732 176.870 0.000 0.000 1.133 225 L CA 1.823 56.683 54.840 0.033 0.000 0.816 225 L CB -0.911 41.102 42.059 -0.077 0.000 0.933 225 L HN 0.315 nan 8.230 nan 0.000 0.449 226 G N -1.100 107.781 108.800 0.135 0.000 2.470 226 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.220 226 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.220 226 G C 1.468 176.335 174.900 -0.056 0.000 1.121 226 G CA 1.488 46.663 45.100 0.125 0.000 0.766 226 G HN 0.477 nan 8.290 nan 0.000 0.553 227 T N -4.016 110.485 114.554 -0.087 0.000 2.989 227 T HA 0.250 4.599 4.350 -0.001 0.000 0.250 227 T C 2.367 177.146 174.700 0.131 0.000 0.981 227 T CA 1.110 63.134 62.100 -0.126 0.000 0.980 227 T CB -0.041 68.647 68.868 -0.300 0.000 1.133 227 T HN 0.133 nan 8.240 nan 0.000 0.489 228 G N 2.603 111.450 108.800 0.078 0.000 2.442 228 G HA2 -0.173 3.787 3.960 -0.001 0.000 0.219 228 G HA3 -0.173 3.787 3.960 -0.001 0.000 0.219 228 G C 1.590 176.539 174.900 0.082 0.000 1.141 228 G CA 1.606 46.751 45.100 0.075 0.000 0.763 228 G HN 0.700 nan 8.290 nan 0.000 0.554 229 T N -3.495 111.102 114.554 0.071 0.000 3.324 229 T HA 0.330 4.679 4.350 -0.001 0.000 0.250 229 T C -0.091 174.557 174.700 -0.086 0.000 1.059 229 T CA -0.607 61.463 62.100 -0.051 0.000 0.951 229 T CB -0.239 68.510 68.868 -0.200 0.000 1.030 229 T HN 0.283 nan 8.240 nan 0.000 0.576 230 W N 0.431 121.767 121.300 0.060 0.000 2.975 230 W HA 0.570 5.230 4.660 -0.001 0.000 0.342 230 W C -0.415 176.178 176.519 0.124 0.000 1.168 230 W CA -1.126 56.296 57.345 0.128 0.000 1.141 230 W CB 1.515 31.124 29.460 0.249 0.000 1.445 230 W HN -0.006 nan 8.180 nan 0.000 0.560 231 E N 1.493 121.926 120.200 0.387 0.000 2.092 231 E HA 0.483 4.833 4.350 -0.001 0.000 0.271 231 E C 0.662 177.401 176.600 0.232 0.000 0.919 231 E CA 0.473 57.017 56.400 0.240 0.000 0.760 231 E CB 0.479 30.272 29.700 0.155 0.000 1.106 231 E HN 0.646 nan 8.360 nan 0.000 0.408 232 G N 4.816 113.738 108.800 0.203 0.000 2.528 232 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.262 232 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.262 232 G C 0.268 175.231 174.900 0.106 0.000 1.200 232 G CA 0.136 45.318 45.100 0.136 0.000 0.951 232 G HN 0.666 nan 8.290 nan 0.000 0.566 233 D N 1.355 121.680 120.400 -0.124 0.000 2.328 233 D HA 0.400 5.040 4.640 -0.001 0.000 0.226 233 D C 2.398 178.228 176.300 -0.785 0.000 1.066 233 D CA 1.357 55.010 54.000 -0.579 0.000 0.861 233 D CB -0.367 40.129 40.800 -0.507 0.000 0.912 233 D HN 0.841 nan 8.370 nan 0.000 0.521 234 A N 1.502 124.146 122.820 -0.293 0.000 1.971 234 A HA -0.211 4.109 4.320 -0.001 0.000 0.222 234 A C 2.038 179.292 177.584 -0.551 0.000 1.182 234 A CA 1.522 53.467 52.037 -0.153 0.000 0.649 234 A CB -1.251 17.962 19.000 0.354 0.000 0.818 234 A HN 0.611 nan 8.150 nan 0.000 0.458 235 W N -0.106 120.718 121.300 -0.793 0.000 2.364 235 W HA -0.134 4.525 4.660 -0.000 0.000 0.281 235 W C 1.295 177.391 176.519 -0.704 0.000 1.219 235 W CA 1.101 57.598 57.345 -1.414 0.000 1.220 235 W CB -0.836 27.895 29.460 -1.214 0.000 1.127 235 W HN 0.286 nan 8.180 nan 0.000 0.556 236 K N 1.581 121.315 120.400 -1.111 0.000 2.286 236 K HA -0.139 4.180 4.320 -0.001 0.000 0.203 236 K C 1.541 177.873 176.600 -0.447 0.000 1.045 236 K CA 1.919 57.706 56.287 -0.833 0.000 0.935 236 K CB -0.340 31.543 32.500 -1.027 0.000 0.737 236 K HN 0.471 nan 8.250 nan 0.000 0.460 237 I N -4.686 115.605 120.570 -0.465 0.000 3.241 237 I HA 0.299 4.469 4.170 -0.001 0.000 0.333 237 I C 0.898 176.942 176.117 -0.122 0.000 1.534 237 I CA -0.460 60.627 61.300 -0.356 0.000 0.979 237 I CB 0.809 38.350 38.000 -0.764 0.000 1.497 237 I HN -0.177 nan 8.210 nan 0.000 0.530 238 G N 0.903 109.601 108.800 -0.170 0.000 2.744 238 G HA2 0.411 4.371 3.960 -0.001 0.000 0.211 238 G HA3 0.411 4.371 3.960 -0.001 0.000 0.211 238 G C 0.941 176.048 174.900 0.344 0.000 1.143 238 G CA 0.597 45.696 45.100 -0.001 0.000 0.788 238 G HN 0.869 nan 8.290 nan 0.000 0.534 239 G N -0.627 108.332 108.800 0.266 0.000 2.498 239 G HA2 0.306 4.265 3.960 -0.001 0.000 0.245 239 G HA3 0.306 4.265 3.960 -0.001 0.000 0.245 239 G C 1.065 176.163 174.900 0.330 0.000 1.204 239 G CA 0.978 46.266 45.100 0.313 0.000 0.933 239 G HN 1.893 nan 8.290 nan 0.000 0.574 240 G N -2.232 106.774 108.800 0.342 0.000 2.157 240 G HA2 0.166 4.125 3.960 -0.001 0.000 0.248 240 G HA3 0.166 4.125 3.960 -0.001 0.000 0.248 240 G C 1.174 176.254 174.900 0.300 0.000 0.979 240 G CA 1.497 46.801 45.100 0.340 0.000 0.650 240 G HN 2.855 nan 8.290 nan 0.000 0.529 241 T N 0.162 114.891 114.554 0.291 0.000 2.939 241 T HA 0.353 4.703 4.350 -0.001 0.000 0.319 241 T C 0.307 175.166 174.700 0.266 0.000 1.082 241 T CA 0.501 62.750 62.100 0.248 0.000 1.133 241 T CB 1.011 70.041 68.868 0.271 0.000 1.019 241 T HN 1.064 nan 8.240 nan 0.000 0.548 242 N N 2.955 121.740 118.700 0.142 0.000 2.518 242 N HA 0.143 4.883 4.740 -0.001 0.000 0.254 242 N C 0.027 175.512 175.510 -0.041 0.000 0.979 242 N CA -1.112 51.937 53.050 -0.001 0.000 0.930 242 N CB 1.044 39.531 38.487 0.000 0.000 1.152 242 N HN 1.037 nan 8.380 nan 0.000 0.505 243 W N 1.698 122.944 121.300 -0.091 0.000 2.684 243 W HA 0.448 5.108 4.660 -0.000 0.000 0.381 243 W C -0.035 176.327 176.519 -0.263 0.000 0.975 243 W CA -0.624 56.636 57.345 -0.142 0.000 1.789 243 W CB -0.647 28.774 29.460 -0.065 0.000 1.161 243 W HN 0.378 nan 8.180 nan 0.000 0.564 244 G N 1.572 109.961 108.800 -0.686 0.000 3.229 244 G HA2 0.361 4.321 3.960 -0.001 0.000 0.165 244 G HA3 0.361 4.321 3.960 -0.001 0.000 0.165 244 G C -1.214 173.168 174.900 -0.864 0.000 1.753 244 G CA -0.205 44.424 45.100 -0.786 0.000 1.054 244 G HN 0.131 nan 8.290 nan 0.000 0.544 245 W N -2.162 118.981 121.300 -0.261 0.000 2.850 245 W HA 0.713 5.373 4.660 -0.000 0.000 0.349 245 W C -1.170 175.108 176.519 -0.402 0.000 1.133 245 W CA -0.835 56.383 57.345 -0.212 0.000 1.117 245 W CB 1.089 30.561 29.460 0.020 0.000 1.442 245 W HN 0.325 nan 8.180 nan 0.000 0.575 246 Y N 0.310 120.617 120.300 0.013 0.000 2.659 246 Y HA 0.842 5.392 4.550 -0.001 0.000 0.333 246 Y C 0.176 176.062 175.900 -0.022 0.000 1.064 246 Y CA -1.734 56.295 58.100 -0.119 0.000 1.141 246 Y CB 1.577 39.728 38.460 -0.515 0.000 1.316 246 Y HN 0.471 nan 8.280 nan 0.000 0.509 247 A N 0.514 123.591 122.820 0.427 0.000 2.572 247 A HA 0.736 5.056 4.320 -0.001 0.000 0.295 247 A C -2.534 175.483 177.584 0.722 0.000 1.072 247 A CA -0.676 51.700 52.037 0.564 0.000 0.691 247 A CB 1.648 20.914 19.000 0.443 0.000 1.291 247 A HN 0.674 nan 8.150 nan 0.000 0.404 248 Y N 0.909 121.527 120.300 0.531 0.000 2.504 248 Y HA 0.611 5.161 4.550 -0.000 0.000 0.344 248 Y C -1.719 174.311 175.900 0.217 0.000 1.023 248 Y CA -1.080 57.180 58.100 0.268 0.000 1.020 248 Y CB 2.075 40.521 38.460 -0.024 0.000 1.282 248 Y HN 0.665 nan 8.280 nan 0.000 0.454 249 D N 7.285 127.365 120.400 -0.534 0.000 2.471 249 D HA 0.403 5.042 4.640 -0.001 0.000 0.245 249 D C -2.382 173.398 176.300 -0.867 0.000 1.116 249 D CA -2.521 51.228 54.000 -0.418 0.000 0.853 249 D CB 2.641 43.470 40.800 0.049 0.000 1.123 249 D HN 0.306 nan 8.370 nan 0.000 0.540 250 P HA -0.018 nan 4.420 nan 0.000 0.218 250 P C 1.303 178.492 177.300 -0.185 0.000 1.148 250 P CA 0.955 63.803 63.100 -0.419 0.000 0.822 250 P CB 0.369 32.004 31.700 -0.109 0.000 0.784 251 G N -0.444 108.276 108.800 -0.132 0.000 2.421 251 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.216 251 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.216 251 G C 1.485 176.366 174.900 -0.032 0.000 1.171 251 G CA 1.759 46.831 45.100 -0.047 0.000 0.775 251 G HN 0.384 nan 8.290 nan 0.000 0.543 252 T N -2.839 111.690 114.554 -0.041 0.000 3.044 252 T HA 0.103 4.453 4.350 -0.001 0.000 0.250 252 T C 1.242 175.924 174.700 -0.031 0.000 1.081 252 T CA 0.780 62.883 62.100 0.006 0.000 1.040 252 T CB -0.138 68.788 68.868 0.097 0.000 0.962 252 T HN 0.349 nan 8.240 nan 0.000 0.506 253 N N 0.025 118.662 118.700 -0.106 0.000 2.741 253 N HA -0.137 4.603 4.740 -0.001 0.000 0.251 253 N C -0.868 174.694 175.510 0.087 0.000 1.112 253 N CA 0.433 53.496 53.050 0.022 0.000 0.750 253 N CB -2.010 36.523 38.487 0.076 0.000 1.119 253 N HN 0.646 nan 8.380 nan 0.000 0.561 254 L N 0.314 121.470 121.223 -0.110 0.000 2.325 254 L HA 0.523 4.863 4.340 -0.001 0.000 0.279 254 L C 0.415 177.082 176.870 -0.337 0.000 1.054 254 L CA -1.038 53.638 54.840 -0.274 0.000 0.804 254 L CB 1.074 42.841 42.059 -0.486 0.000 1.200 254 L HN 0.107 nan 8.230 nan 0.000 0.436 255 I N 2.719 123.181 120.570 -0.181 0.000 2.331 255 I HA 0.281 4.451 4.170 -0.001 0.000 0.292 255 I C -0.963 175.124 176.117 -0.050 0.000 0.998 255 I CA 0.024 61.369 61.300 0.075 0.000 1.267 255 I CB 0.666 38.809 38.000 0.239 0.000 1.386 255 I HN 0.192 nan 8.210 nan 0.000 0.476 256 Y N 8.424 128.964 120.300 0.400 0.000 2.335 256 Y HA 0.649 5.199 4.550 -0.001 0.000 0.338 256 Y C -0.319 175.794 175.900 0.355 0.000 0.977 256 Y CA -0.737 57.521 58.100 0.264 0.000 1.114 256 Y CB 1.039 39.603 38.460 0.174 0.000 1.182 256 Y HN 0.473 nan 8.280 nan 0.000 0.463 257 F N -0.623 119.457 119.950 0.217 0.000 2.773 257 F HA 0.918 5.445 4.527 -0.000 0.000 0.314 257 F C -0.768 175.078 175.800 0.076 0.000 1.160 257 F CA -1.701 56.326 58.000 0.044 0.000 0.920 257 F CB 1.085 40.067 39.000 -0.031 0.000 1.323 257 F HN 0.585 nan 8.300 nan 0.000 0.457 258 G N 0.269 109.112 108.800 0.072 0.000 2.495 258 G HA2 0.577 4.537 3.960 -0.001 0.000 0.318 258 G HA3 0.577 4.537 3.960 -0.001 0.000 0.318 258 G C -1.083 173.929 174.900 0.188 0.000 1.257 258 G CA -0.558 44.590 45.100 0.081 0.000 0.962 258 G HN 0.980 nan 8.290 nan 0.000 0.483 259 T N -0.605 114.085 114.554 0.227 0.000 2.899 259 T HA 0.688 5.038 4.350 -0.001 0.000 0.284 259 T C 0.933 175.750 174.700 0.196 0.000 1.004 259 T CA 0.017 62.278 62.100 0.268 0.000 1.043 259 T CB 1.719 70.810 68.868 0.373 0.000 1.013 259 T HN 0.748 nan 8.240 nan 0.000 0.518 260 G N 1.109 110.042 108.800 0.223 0.000 2.543 260 G HA2 0.372 4.332 3.960 -0.001 0.000 0.290 260 G HA3 0.372 4.332 3.960 -0.001 0.000 0.290 260 G C 0.140 175.206 174.900 0.277 0.000 1.310 260 G CA -1.110 44.148 45.100 0.263 0.000 1.025 260 G HN 1.059 nan 8.290 nan 0.000 0.502 261 N N 0.959 119.828 118.700 0.282 0.000 2.441 261 N HA 0.112 4.852 4.740 -0.001 0.000 0.251 261 N C -2.572 173.090 175.510 0.253 0.000 1.242 261 N CA -0.678 52.499 53.050 0.212 0.000 0.898 261 N CB 1.265 39.837 38.487 0.141 0.000 1.100 261 N HN 0.183 nan 8.380 nan 0.000 0.443 262 P HA 0.247 nan 4.420 nan 0.000 0.276 262 P C -1.155 176.336 177.300 0.319 0.000 1.252 262 P CA -0.477 62.816 63.100 0.323 0.000 0.802 262 P CB 1.003 32.835 31.700 0.221 0.000 1.035 263 A N 2.235 125.311 122.820 0.427 0.000 2.355 263 A HA 0.767 5.087 4.320 -0.001 0.000 0.324 263 A C -2.399 175.421 177.584 0.394 0.000 1.117 263 A CA -1.941 50.343 52.037 0.412 0.000 0.785 263 A CB 0.913 20.222 19.000 0.515 0.000 1.254 263 A HN 0.402 nan 8.150 nan 0.000 0.453 264 P HA 0.190 nan 4.420 nan 0.000 0.317 264 P C 0.003 177.378 177.300 0.126 0.000 1.307 264 P CA -0.354 62.633 63.100 -0.188 0.000 0.749 264 P CB 0.512 31.561 31.700 -1.085 0.000 1.377 265 W N -1.230 119.964 121.300 -0.175 0.000 2.467 265 W HA 0.039 4.699 4.660 -0.000 0.000 0.275 265 W C 1.194 177.719 176.519 0.009 0.000 1.239 265 W CA 0.436 57.781 57.345 -0.001 0.000 1.266 265 W CB -1.708 27.748 29.460 -0.007 0.000 1.112 265 W HN 0.258 nan 8.180 nan 0.000 0.576 266 N N 2.309 121.041 118.700 0.053 0.000 2.399 266 N HA -0.117 4.623 4.740 -0.001 0.000 0.284 266 N C 1.443 176.943 175.510 -0.016 0.000 1.283 266 N CA 0.469 53.512 53.050 -0.011 0.000 0.972 266 N CB 0.379 38.772 38.487 -0.156 0.000 1.328 266 N HN 0.151 nan 8.380 nan 0.000 0.486 267 E N 2.873 123.054 120.200 -0.031 0.000 2.114 267 E HA -0.211 4.139 4.350 -0.001 0.000 0.199 267 E C 0.502 177.102 176.600 -0.001 0.000 1.008 267 E CA 1.665 57.974 56.400 -0.152 0.000 0.810 267 E CB -0.056 29.500 29.700 -0.240 0.000 0.739 267 E HN 0.574 nan 8.360 nan 0.000 0.456 268 T N 0.901 115.474 114.554 0.031 0.000 2.881 268 T HA -0.089 4.261 4.350 -0.001 0.000 0.270 268 T C 1.819 176.557 174.700 0.064 0.000 1.068 268 T CA 1.542 63.675 62.100 0.054 0.000 1.131 268 T CB -0.174 68.724 68.868 0.050 0.000 0.871 268 T HN 0.248 nan 8.240 nan 0.000 0.479 269 M N 0.290 119.925 119.600 0.058 0.000 2.595 269 M HA 0.145 4.625 4.480 -0.001 0.000 0.248 269 M C 0.932 177.312 176.300 0.132 0.000 1.119 269 M CA 0.766 56.122 55.300 0.092 0.000 1.079 269 M CB 0.215 32.868 32.600 0.089 0.000 1.472 269 M HN -0.073 nan 8.290 nan 0.000 0.501 270 R N 1.042 121.607 120.500 0.107 0.000 2.997 270 R HA 0.255 4.595 4.340 -0.001 0.000 0.358 270 R C -2.470 173.886 176.300 0.093 0.000 1.191 270 R CA -1.494 54.659 56.100 0.087 0.000 1.113 270 R CB -0.197 30.064 30.300 -0.066 0.000 1.433 270 R HN 0.054 nan 8.270 nan 0.000 0.584 271 P HA 0.011 nan 4.420 nan 0.000 0.262 271 P C 0.318 177.551 177.300 -0.112 0.000 1.182 271 P CA 1.055 64.131 63.100 -0.041 0.000 0.761 271 P CB 1.038 32.721 31.700 -0.028 0.000 0.795 272 G N 3.059 111.709 108.800 -0.250 0.000 2.392 272 G HA2 -0.124 3.835 3.960 -0.001 0.000 0.677 272 G HA3 -0.124 3.835 3.960 -0.001 0.000 0.677 272 G C 0.023 174.786 174.900 -0.229 0.000 1.334 272 G CA -0.523 44.434 45.100 -0.237 0.000 0.961 272 G HN 0.333 nan 8.290 nan 0.000 0.616 273 D N 0.227 120.479 120.400 -0.247 0.000 2.350 273 D HA -0.029 4.611 4.640 -0.001 0.000 0.216 273 D C 1.518 177.615 176.300 -0.339 0.000 0.968 273 D CA 1.015 54.882 54.000 -0.221 0.000 0.894 273 D CB -0.364 40.303 40.800 -0.222 0.000 0.909 273 D HN 0.707 nan 8.370 nan 0.000 0.520 274 N N 0.328 118.635 118.700 -0.655 0.000 2.707 274 N HA -0.236 4.504 4.740 -0.001 0.000 0.253 274 N C -0.525 174.871 175.510 -0.190 0.000 0.998 274 N CA 0.177 52.720 53.050 -0.845 0.000 0.751 274 N CB -0.821 37.164 38.487 -0.837 0.000 0.920 274 N HN 0.016 nan 8.380 nan 0.000 0.539 275 K N -0.263 119.956 120.400 -0.302 0.000 2.511 275 K HA -0.128 4.192 4.320 -0.001 0.000 0.277 275 K C 0.143 176.861 176.600 0.197 0.000 1.025 275 K CA 0.967 56.956 56.287 -0.496 0.000 1.112 275 K CB 0.038 31.882 32.500 -1.093 0.000 0.859 275 K HN 0.459 nan 8.250 nan 0.000 0.485 276 W N 1.184 122.732 121.300 0.413 0.000 2.304 276 W HA 0.035 4.695 4.660 -0.001 0.000 0.326 276 W C 0.304 177.010 176.519 0.312 0.000 0.920 276 W CA -0.245 57.294 57.345 0.323 0.000 1.518 276 W CB 0.307 30.015 29.460 0.412 0.000 1.112 276 W HN 0.642 nan 8.180 nan 0.000 0.528 277 T N -0.792 114.071 114.554 0.514 0.000 2.716 277 T HA -0.062 4.288 4.350 -0.001 0.000 0.335 277 T C 1.125 175.986 174.700 0.269 0.000 1.081 277 T CA 0.217 62.549 62.100 0.386 0.000 1.073 277 T CB 0.449 69.530 68.868 0.356 0.000 0.993 277 T HN 0.136 nan 8.240 nan 0.000 0.547 278 M N -0.554 119.174 119.600 0.214 0.000 2.302 278 M HA -0.145 4.334 4.480 -0.001 0.000 0.200 278 M C -0.029 176.303 176.300 0.054 0.000 0.366 278 M CA 0.828 56.200 55.300 0.120 0.000 0.440 278 M CB -3.314 29.341 32.600 0.092 0.000 1.475 278 M HN 0.934 nan 8.290 nan 0.000 0.905 279 T N 0.241 114.869 114.554 0.123 0.000 2.893 279 T HA 0.732 5.082 4.350 -0.001 0.000 0.293 279 T C 0.404 175.097 174.700 -0.011 0.000 1.027 279 T CA -0.658 61.456 62.100 0.023 0.000 0.988 279 T CB 2.359 71.332 68.868 0.176 0.000 1.043 279 T HN 0.262 nan 8.240 nan 0.000 0.461 280 I N 3.007 123.528 120.570 -0.082 0.000 2.396 280 I HA 0.331 4.500 4.170 -0.001 0.000 0.289 280 I C -0.650 175.367 176.117 -0.167 0.000 1.056 280 I CA -0.159 61.132 61.300 -0.015 0.000 1.365 280 I CB 0.305 38.389 38.000 0.140 0.000 1.407 280 I HN 0.451 nan 8.210 nan 0.000 0.509 281 F N 3.359 123.090 119.950 -0.365 0.000 2.507 281 F HA 0.653 5.179 4.527 -0.000 0.000 0.327 281 F C 0.724 176.167 175.800 -0.596 0.000 1.068 281 F CA -0.550 57.133 58.000 -0.528 0.000 0.965 281 F CB 2.121 40.582 39.000 -0.898 0.000 1.192 281 F HN 0.338 nan 8.300 nan 0.000 0.476 282 G N 3.021 111.469 108.800 -0.588 0.000 2.814 282 G HA2 0.573 4.533 3.960 -0.001 0.000 0.300 282 G HA3 0.573 4.533 3.960 -0.001 0.000 0.300 282 G C -1.038 173.647 174.900 -0.359 0.000 1.406 282 G CA -0.629 43.984 45.100 -0.812 0.000 1.041 282 G HN 0.520 nan 8.290 nan 0.000 0.532 283 R N 1.267 121.660 120.500 -0.178 0.000 2.664 283 R HA 0.297 4.637 4.340 -0.001 0.000 0.286 283 R C -1.084 175.119 176.300 -0.161 0.000 0.967 283 R CA -0.873 55.146 56.100 -0.135 0.000 0.933 283 R CB 2.293 32.569 30.300 -0.041 0.000 1.146 283 R HN 0.568 nan 8.270 nan 0.000 0.468 284 D N 1.335 121.606 120.400 -0.215 0.000 2.371 284 D HA 0.118 4.758 4.640 -0.001 0.000 0.256 284 D C 1.088 177.303 176.300 -0.142 0.000 1.193 284 D CA 0.151 54.058 54.000 -0.154 0.000 0.881 284 D CB 1.314 42.014 40.800 -0.166 0.000 1.143 284 D HN 0.577 nan 8.370 nan 0.000 0.473 285 A N 4.245 127.079 122.820 0.024 0.000 1.903 285 A HA -0.276 4.044 4.320 -0.001 0.000 0.219 285 A C 1.727 179.430 177.584 0.198 0.000 1.191 285 A CA 1.909 54.011 52.037 0.110 0.000 0.638 285 A CB -0.397 18.622 19.000 0.031 0.000 0.823 285 A HN 0.790 nan 8.150 nan 0.000 0.451 286 D N -2.114 118.337 120.400 0.085 0.000 2.162 286 D HA -0.066 4.574 4.640 -0.001 0.000 0.205 286 D C 1.958 178.278 176.300 0.033 0.000 0.964 286 D CA 1.739 55.809 54.000 0.117 0.000 0.847 286 D CB -0.324 40.507 40.800 0.051 0.000 0.988 286 D HN 0.464 nan 8.370 nan 0.000 0.480 287 T N -1.237 113.193 114.554 -0.208 0.000 3.009 287 T HA 0.174 4.524 4.350 -0.001 0.000 0.258 287 T C 1.529 175.664 174.700 -0.942 0.000 1.063 287 T CA 1.641 63.523 62.100 -0.363 0.000 1.139 287 T CB 0.053 68.778 68.868 -0.239 0.000 0.890 287 T HN 0.348 nan 8.240 nan 0.000 0.471 288 G N 1.066 109.035 108.800 -1.385 0.000 2.241 288 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.244 288 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.244 288 G C -0.069 174.227 174.900 -1.007 0.000 0.998 288 G CA 0.231 43.991 45.100 -2.233 0.000 0.621 288 G HN 0.615 nan 8.290 nan 0.000 0.519 289 E N 1.023 120.862 120.200 -0.601 0.000 2.442 289 E HA 0.444 4.793 4.350 -0.001 0.000 0.262 289 E C 0.665 177.104 176.600 -0.269 0.000 1.004 289 E CA 0.223 56.410 56.400 -0.355 0.000 0.928 289 E CB 0.756 30.316 29.700 -0.233 0.000 0.937 289 E HN 0.746 nan 8.360 nan 0.000 0.446 290 A N 3.225 125.920 122.820 -0.209 0.000 2.320 290 A HA 0.104 4.423 4.320 -0.001 0.000 0.287 290 A C 0.623 178.273 177.584 0.110 0.000 1.181 290 A CA -0.314 51.688 52.037 -0.057 0.000 0.831 290 A CB 0.552 19.551 19.000 -0.001 0.000 1.102 290 A HN 0.629 nan 8.150 nan 0.000 0.513 291 K N 0.885 121.334 120.400 0.082 0.000 2.352 291 K HA 0.194 4.514 4.320 -0.001 0.000 0.194 291 K C -0.768 176.006 176.600 0.290 0.000 1.038 291 K CA 0.645 57.037 56.287 0.174 0.000 1.023 291 K CB 0.203 32.754 32.500 0.085 0.000 0.840 291 K HN 0.790 nan 8.250 nan 0.000 0.519 292 F N -2.037 118.035 119.950 0.204 0.000 2.665 292 F HA 0.589 5.116 4.527 -0.000 0.000 0.308 292 F C -1.007 174.771 175.800 -0.037 0.000 1.112 292 F CA -1.366 56.607 58.000 -0.046 0.000 0.972 292 F CB 1.041 40.016 39.000 -0.042 0.000 1.295 292 F HN -0.159 nan 8.300 nan 0.000 0.440 293 G N 1.793 110.620 108.800 0.046 0.000 2.719 293 G HA2 0.473 4.433 3.960 -0.001 0.000 0.284 293 G HA3 0.473 4.433 3.960 -0.001 0.000 0.284 293 G C -2.855 172.025 174.900 -0.033 0.000 1.488 293 G CA -0.752 44.166 45.100 -0.304 0.000 1.139 293 G HN 0.990 nan 8.290 nan 0.000 0.552 294 Y N 2.405 122.583 120.300 -0.205 0.000 2.334 294 Y HA 0.571 5.121 4.550 -0.001 0.000 0.336 294 Y C 0.222 175.953 175.900 -0.281 0.000 0.960 294 Y CA -1.007 56.818 58.100 -0.458 0.000 1.164 294 Y CB 1.809 39.861 38.460 -0.680 0.000 1.155 294 Y HN 0.545 nan 8.280 nan 0.000 0.478 295 Q N 6.087 125.448 119.800 -0.732 0.000 2.307 295 Q HA 0.194 4.534 4.340 -0.001 0.000 0.259 295 Q C 0.131 175.548 176.000 -0.972 0.000 0.998 295 Q CA -0.144 55.322 55.803 -0.563 0.000 0.923 295 Q CB 1.054 29.622 28.738 -0.284 0.000 1.196 295 Q HN 0.925 nan 8.270 nan 0.000 0.416 296 K N 1.679 121.657 120.400 -0.702 0.000 2.062 296 K HA 0.017 4.337 4.320 -0.001 0.000 0.205 296 K C 0.023 176.487 176.600 -0.226 0.000 1.051 296 K CA 1.143 57.069 56.287 -0.602 0.000 0.941 296 K CB 0.490 32.647 32.500 -0.571 0.000 0.719 296 K HN 0.469 nan 8.250 nan 0.000 0.440 297 T N 2.905 117.412 114.554 -0.077 0.000 3.241 297 T HA 0.268 4.617 4.350 -0.001 0.000 0.387 297 T C -2.735 172.011 174.700 0.077 0.000 1.451 297 T CA -1.555 60.632 62.100 0.145 0.000 1.363 297 T CB 1.481 70.559 68.868 0.349 0.000 1.074 297 T HN -0.150 nan 8.240 nan 0.000 0.598 298 P HA 0.082 nan 4.420 nan 0.000 0.265 298 P C 0.093 177.423 177.300 0.049 0.000 1.193 298 P CA 0.212 63.294 63.100 -0.031 0.000 0.765 298 P CB 0.041 31.706 31.700 -0.057 0.000 0.823 299 H N 0.587 119.560 119.070 -0.162 0.000 2.514 299 H HA -0.264 4.292 4.556 -0.001 0.000 0.318 299 H C -0.161 175.035 175.328 -0.219 0.000 0.994 299 H CA 0.269 56.185 56.048 -0.220 0.000 1.056 299 H CB -1.300 28.331 29.762 -0.219 0.000 1.621 299 H HN 0.352 nan 8.280 nan 0.000 0.360 300 D N 2.186 122.379 120.400 -0.345 0.000 2.472 300 D HA 0.043 4.682 4.640 -0.001 0.000 0.237 300 D C 0.766 176.581 176.300 -0.809 0.000 1.141 300 D CA 0.902 54.678 54.000 -0.374 0.000 0.875 300 D CB 0.558 41.251 40.800 -0.179 0.000 1.192 300 D HN 0.784 nan 8.370 nan 0.000 0.450 301 E N 2.837 122.246 120.200 -1.318 0.000 3.254 301 E HA 0.156 4.506 4.350 -0.001 0.000 0.184 301 E C -0.257 175.115 176.600 -2.048 0.000 0.967 301 E CA -0.514 54.961 56.400 -1.541 0.000 1.311 301 E CB 0.001 28.763 29.700 -1.563 0.000 1.071 301 E HN 0.557 nan 8.360 nan 0.000 0.456 302 W N 0.673 121.333 121.300 -1.066 0.000 1.857 302 W HA 0.279 4.939 4.660 -0.001 0.000 0.244 302 W C 0.343 176.320 176.519 -0.903 0.000 0.859 302 W CA -0.330 56.189 57.345 -1.377 0.000 1.112 302 W CB 0.619 28.998 29.460 -1.802 0.000 0.967 302 W HN 0.128 nan 8.180 nan 0.000 0.524 303 E N 0.982 120.882 120.200 -0.499 0.000 2.442 303 E HA -0.214 4.136 4.350 -0.001 0.000 0.256 303 E C -0.885 175.721 176.600 0.010 0.000 1.095 303 E CA 0.462 56.649 56.400 -0.354 0.000 0.747 303 E CB -1.591 27.663 29.700 -0.744 0.000 1.310 303 E HN 0.176 nan 8.360 nan 0.000 0.396 304 Y N -0.405 119.944 120.300 0.080 0.000 2.971 304 Y HA 0.324 4.873 4.550 -0.001 0.000 0.384 304 Y C 1.147 177.117 175.900 0.117 0.000 1.166 304 Y CA -0.239 57.925 58.100 0.106 0.000 1.973 304 Y CB -0.620 37.901 38.460 0.101 0.000 2.082 304 Y HN 0.249 nan 8.280 nan 0.000 0.420 305 A N 0.611 123.617 122.820 0.310 0.000 2.567 305 A HA 0.154 4.474 4.320 -0.001 0.000 0.263 305 A C 1.490 179.178 177.584 0.173 0.000 1.030 305 A CA 0.853 53.061 52.037 0.286 0.000 0.833 305 A CB -0.299 18.988 19.000 0.479 0.000 0.924 305 A HN 0.743 nan 8.150 nan 0.000 0.518 306 G N 1.923 110.795 108.800 0.120 0.000 3.541 306 G HA2 0.364 4.324 3.960 -0.001 0.000 0.253 306 G HA3 0.364 4.324 3.960 -0.001 0.000 0.253 306 G C 0.661 175.587 174.900 0.043 0.000 1.017 306 G CA 0.469 45.599 45.100 0.050 0.000 1.832 306 G HN 1.586 nan 8.290 nan 0.000 0.649 307 V N -3.017 116.834 119.914 -0.106 0.000 3.621 307 V HA 0.227 4.346 4.120 -0.001 0.000 0.285 307 V C 0.637 176.630 176.094 -0.168 0.000 1.346 307 V CA -1.012 61.118 62.300 -0.283 0.000 1.104 307 V CB -0.800 30.464 31.823 -0.933 0.000 0.913 307 V HN 0.136 nan 8.190 nan 0.000 0.432 308 N N 1.413 120.156 118.700 0.072 0.000 2.273 308 N HA 0.074 4.814 4.740 -0.001 0.000 0.227 308 N C 0.048 175.636 175.510 0.129 0.000 1.292 308 N CA 0.400 53.556 53.050 0.177 0.000 0.875 308 N CB 0.539 39.121 38.487 0.158 0.000 1.105 308 N HN 0.265 nan 8.380 nan 0.000 0.434 309 V N 1.743 121.740 119.914 0.138 0.000 2.953 309 V HA -0.075 4.044 4.120 -0.001 0.000 0.304 309 V C 0.021 175.962 176.094 -0.255 0.000 1.138 309 V CA 0.499 62.772 62.300 -0.045 0.000 1.266 309 V CB 0.080 31.697 31.823 -0.344 0.000 0.923 309 V HN 0.422 nan 8.190 nan 0.000 0.505 310 M N 7.716 127.188 119.600 -0.214 0.000 2.243 310 M HA 0.515 4.995 4.480 -0.001 0.000 0.324 310 M C -0.743 175.506 176.300 -0.084 0.000 1.031 310 M CA -0.047 55.135 55.300 -0.196 0.000 0.949 310 M CB 1.406 33.962 32.600 -0.073 0.000 1.615 310 M HN 0.564 nan 8.290 nan 0.000 0.430 311 M N 4.866 124.419 119.600 -0.079 0.000 2.142 311 M HA 0.541 5.020 4.480 -0.001 0.000 0.299 311 M C -0.783 175.522 176.300 0.009 0.000 0.960 311 M CA -0.435 54.885 55.300 0.033 0.000 0.920 311 M CB 2.060 34.746 32.600 0.143 0.000 1.541 311 M HN 0.502 nan 8.290 nan 0.000 0.429 312 L N 2.155 123.393 121.223 0.026 0.000 2.421 312 L HA 0.796 5.135 4.340 -0.001 0.000 0.263 312 L C 0.401 177.217 176.870 -0.089 0.000 1.122 312 L CA -0.362 54.456 54.840 -0.037 0.000 0.804 312 L CB 1.394 43.463 42.059 0.015 0.000 1.150 312 L HN 0.896 nan 8.230 nan 0.000 0.457 313 S N 0.053 115.678 115.700 -0.124 0.000 2.636 313 S HA 0.470 4.940 4.470 -0.001 0.000 0.266 313 S C -1.407 173.146 174.600 -0.077 0.000 1.147 313 S CA -1.118 56.989 58.200 -0.155 0.000 0.815 313 S CB 1.929 64.829 63.200 -0.499 0.000 1.119 313 S HN 0.615 nan 8.310 nan 0.000 0.470 314 E N 0.554 120.734 120.200 -0.033 0.000 2.244 314 E HA 0.526 4.876 4.350 -0.001 0.000 0.260 314 E C -1.180 175.412 176.600 -0.015 0.000 0.884 314 E CA -0.502 55.885 56.400 -0.023 0.000 0.777 314 E CB 2.007 31.703 29.700 -0.007 0.000 1.197 314 E HN 0.569 nan 8.360 nan 0.000 0.416 315 Q N 1.350 121.133 119.800 -0.028 0.000 2.553 315 Q HA 0.438 4.777 4.340 -0.001 0.000 0.293 315 Q C -0.982 174.996 176.000 -0.036 0.000 1.038 315 Q CA -1.053 54.734 55.803 -0.027 0.000 0.777 315 Q CB 2.579 31.302 28.738 -0.025 0.000 1.487 315 Q HN 0.176 nan 8.270 nan 0.000 0.426 316 K N 1.690 122.067 120.400 -0.038 0.000 2.201 316 K HA 0.162 4.482 4.320 -0.001 0.000 0.278 316 K C -0.770 175.801 176.600 -0.049 0.000 1.027 316 K CA -0.451 55.812 56.287 -0.041 0.000 0.909 316 K CB 0.661 33.139 32.500 -0.037 0.000 1.062 316 K HN 0.512 nan 8.250 nan 0.000 0.465 317 D N 1.660 122.029 120.400 -0.051 0.000 2.447 317 D HA 0.030 4.670 4.640 -0.001 0.000 0.265 317 D C 0.636 176.905 176.300 -0.053 0.000 1.250 317 D CA -0.343 53.623 54.000 -0.057 0.000 1.046 317 D CB 0.571 41.336 40.800 -0.058 0.000 1.095 317 D HN 0.180 nan 8.370 nan 0.000 0.555 318 K N -0.908 119.460 120.400 -0.054 0.000 2.360 318 K HA -0.094 4.226 4.320 -0.001 0.000 0.201 318 K C 0.259 176.834 176.600 -0.042 0.000 1.046 318 K CA 0.904 57.162 56.287 -0.049 0.000 0.945 318 K CB -0.104 32.367 32.500 -0.049 0.000 0.750 318 K HN 0.399 nan 8.250 nan 0.000 0.464 319 D N -0.451 119.925 120.400 -0.041 0.000 2.340 319 D HA 0.042 4.682 4.640 -0.001 0.000 0.220 319 D C 1.072 177.352 176.300 -0.034 0.000 1.039 319 D CA 0.538 54.517 54.000 -0.036 0.000 0.866 319 D CB 0.539 41.317 40.800 -0.037 0.000 0.913 319 D HN 0.346 nan 8.370 nan 0.000 0.523 320 G N 1.025 109.803 108.800 -0.035 0.000 2.179 320 G HA2 -0.336 3.624 3.960 -0.001 0.000 0.260 320 G HA3 -0.336 3.624 3.960 -0.001 0.000 0.260 320 G C 0.488 175.369 174.900 -0.031 0.000 0.977 320 G CA -0.026 45.054 45.100 -0.032 0.000 0.641 320 G HN 0.340 nan 8.290 nan 0.000 0.533 321 K N 1.072 121.452 120.400 -0.034 0.000 2.412 321 K HA 0.548 4.867 4.320 -0.001 0.000 0.281 321 K C 0.884 177.463 176.600 -0.034 0.000 1.027 321 K CA 0.312 56.579 56.287 -0.034 0.000 0.989 321 K CB 0.501 32.978 32.500 -0.038 0.000 0.935 321 K HN 0.520 nan 8.250 nan 0.000 0.475 322 A N 5.072 127.874 122.820 -0.030 0.000 2.362 322 A HA 0.284 4.604 4.320 -0.001 0.000 0.276 322 A C -0.439 177.125 177.584 -0.034 0.000 1.153 322 A CA -0.366 51.654 52.037 -0.029 0.000 0.813 322 A CB 0.391 19.377 19.000 -0.023 0.000 1.081 322 A HN 0.621 nan 8.150 nan 0.000 0.507 323 R N 2.136 122.612 120.500 -0.039 0.000 2.686 323 R HA 0.377 4.716 4.340 -0.001 0.000 0.286 323 R C -1.072 175.199 176.300 -0.048 0.000 0.969 323 R CA -0.666 55.406 56.100 -0.048 0.000 0.898 323 R CB 1.772 32.035 30.300 -0.061 0.000 1.183 323 R HN 0.713 nan 8.270 nan 0.000 0.456 324 K N 3.342 123.713 120.400 -0.049 0.000 2.263 324 K HA 0.386 4.706 4.320 -0.001 0.000 0.282 324 K C -0.034 176.516 176.600 -0.084 0.000 1.089 324 K CA -0.153 56.104 56.287 -0.050 0.000 0.907 324 K CB 0.678 33.162 32.500 -0.027 0.000 1.148 324 K HN 0.303 nan 8.250 nan 0.000 0.470 325 L N 2.991 124.154 121.223 -0.099 0.000 2.347 325 L HA 0.634 4.973 4.340 -0.001 0.000 0.268 325 L C -0.631 176.137 176.870 -0.170 0.000 1.019 325 L CA -1.572 53.190 54.840 -0.130 0.000 0.806 325 L CB 0.786 42.782 42.059 -0.106 0.000 1.339 325 L HN 0.392 nan 8.230 nan 0.000 0.463 326 L N -1.611 119.500 121.223 -0.187 0.000 2.505 326 L HA 0.666 5.006 4.340 -0.001 0.000 0.266 326 L C -0.831 175.934 176.870 -0.176 0.000 0.954 326 L CA -0.131 54.585 54.840 -0.206 0.000 0.852 326 L CB 1.671 43.547 42.059 -0.304 0.000 1.282 326 L HN 0.358 nan 8.230 nan 0.000 0.403 327 T N 2.202 116.620 114.554 -0.225 0.000 2.824 327 T HA 0.463 4.813 4.350 -0.001 0.000 0.280 327 T C -1.128 173.445 174.700 -0.211 0.000 0.995 327 T CA -0.105 61.794 62.100 -0.334 0.000 1.009 327 T CB 0.640 68.968 68.868 -0.900 0.000 0.955 327 T HN 0.782 nan 8.240 nan 0.000 0.452 328 H N 3.889 122.818 119.070 -0.235 0.000 2.917 328 H HA 0.282 4.837 4.556 -0.001 0.000 0.279 328 H C -2.637 172.593 175.328 -0.163 0.000 1.211 328 H CA -2.361 53.592 56.048 -0.158 0.000 1.534 328 H CB 1.347 31.076 29.762 -0.054 0.000 1.581 328 H HN 0.285 nan 8.280 nan 0.000 0.510 329 P HA 0.054 nan 4.420 nan 0.000 0.273 329 P C -0.343 176.764 177.300 -0.321 0.000 1.428 329 P CA -0.142 62.769 63.100 -0.315 0.000 0.995 329 P CB 0.867 32.246 31.700 -0.534 0.000 1.286 330 D N 2.318 122.565 120.400 -0.256 0.000 2.377 330 D HA 0.100 4.740 4.640 -0.001 0.000 0.245 330 D C 1.701 177.935 176.300 -0.109 0.000 1.196 330 D CA -0.432 53.424 54.000 -0.240 0.000 0.962 330 D CB 0.946 41.641 40.800 -0.175 0.000 1.127 330 D HN 0.062 nan 8.370 nan 0.000 0.471 331 R N 0.886 121.343 120.500 -0.072 0.000 2.115 331 R HA -0.121 4.219 4.340 -0.001 0.000 0.230 331 R C 1.244 177.263 176.300 -0.469 0.000 1.111 331 R CA 0.891 56.950 56.100 -0.069 0.000 0.976 331 R CB -0.605 29.763 30.300 0.113 0.000 0.870 331 R HN 0.537 nan 8.270 nan 0.000 0.445 332 N N -0.151 118.212 118.700 -0.562 0.000 2.609 332 N HA -0.056 4.683 4.740 -0.001 0.000 0.190 332 N C 0.963 176.056 175.510 -0.696 0.000 1.157 332 N CA 1.158 53.566 53.050 -1.070 0.000 0.918 332 N CB -0.081 38.257 38.487 -0.249 0.000 0.978 332 N HN 0.276 nan 8.380 nan 0.000 0.448 333 G N -1.122 107.433 108.800 -0.408 0.000 2.157 333 G HA2 -0.183 3.777 3.960 -0.001 0.000 0.239 333 G HA3 -0.183 3.777 3.960 -0.001 0.000 0.239 333 G C -0.491 174.314 174.900 -0.159 0.000 0.982 333 G CA 0.175 45.121 45.100 -0.257 0.000 0.650 333 G HN 0.281 nan 8.290 nan 0.000 0.527 334 I N 0.986 121.456 120.570 -0.168 0.000 2.474 334 I HA 0.469 4.639 4.170 -0.001 0.000 0.294 334 I C 0.375 176.285 176.117 -0.346 0.000 1.005 334 I CA -1.340 59.779 61.300 -0.302 0.000 1.113 334 I CB 1.796 39.495 38.000 -0.501 0.000 1.289 334 I HN -0.142 nan 8.210 nan 0.000 0.436 335 V N 7.660 127.340 119.914 -0.390 0.000 2.320 335 V HA 0.218 4.337 4.120 -0.001 0.000 0.265 335 V C -0.390 175.516 176.094 -0.313 0.000 1.048 335 V CA -0.476 61.621 62.300 -0.339 0.000 0.865 335 V CB -0.135 31.386 31.823 -0.503 0.000 1.043 335 V HN 0.394 nan 8.190 nan 0.000 0.474 336 Y N 2.491 122.689 120.300 -0.169 0.000 2.304 336 Y HA 0.496 5.046 4.550 -0.001 0.000 0.327 336 Y C 1.003 176.825 175.900 -0.132 0.000 1.209 336 Y CA -0.281 57.741 58.100 -0.130 0.000 1.299 336 Y CB 1.244 39.647 38.460 -0.095 0.000 1.249 336 Y HN 0.461 nan 8.280 nan 0.000 0.519 337 T N 4.963 119.515 114.554 -0.004 0.000 3.066 337 T HA 0.533 4.883 4.350 -0.001 0.000 0.318 337 T C -0.776 173.861 174.700 -0.105 0.000 0.979 337 T CA -0.729 61.324 62.100 -0.078 0.000 1.025 337 T CB 0.102 68.909 68.868 -0.102 0.000 1.002 337 T HN 0.376 nan 8.240 nan 0.000 0.453 338 L N 1.299 122.444 121.223 -0.130 0.000 2.303 338 L HA 0.664 5.004 4.340 -0.001 0.000 0.266 338 L C 0.099 176.848 176.870 -0.201 0.000 1.011 338 L CA -1.328 53.398 54.840 -0.189 0.000 0.818 338 L CB 1.144 43.057 42.059 -0.244 0.000 1.326 338 L HN 0.461 nan 8.230 nan 0.000 0.435 339 D N 1.368 121.633 120.400 -0.224 0.000 2.358 339 D HA 0.010 4.650 4.640 -0.001 0.000 0.258 339 D C 0.940 177.099 176.300 -0.235 0.000 1.223 339 D CA -0.279 53.604 54.000 -0.195 0.000 0.886 339 D CB 1.160 41.853 40.800 -0.177 0.000 1.120 339 D HN 0.603 nan 8.370 nan 0.000 0.482 340 R N 1.743 122.142 120.500 -0.168 0.000 2.339 340 R HA -0.051 4.288 4.340 -0.001 0.000 0.199 340 R C 1.121 177.534 176.300 0.188 0.000 1.018 340 R CA 1.104 57.142 56.100 -0.104 0.000 1.036 340 R CB -0.301 29.787 30.300 -0.354 0.000 0.899 340 R HN 0.375 nan 8.270 nan 0.000 0.473 341 T N -2.709 111.881 114.554 0.060 0.000 3.023 341 T HA 0.026 4.375 4.350 -0.001 0.000 0.249 341 T C 0.835 175.597 174.700 0.102 0.000 1.050 341 T CA 0.448 62.627 62.100 0.132 0.000 1.088 341 T CB 0.273 69.172 68.868 0.052 0.000 0.946 341 T HN 0.460 nan 8.240 nan 0.000 0.480 342 D N -0.437 119.897 120.400 -0.111 0.000 2.525 342 D HA 0.302 4.942 4.640 -0.001 0.000 0.231 342 D C 1.450 177.419 176.300 -0.552 0.000 1.216 342 D CA 0.310 54.205 54.000 -0.174 0.000 0.813 342 D CB -0.344 40.375 40.800 -0.135 0.000 1.108 342 D HN 0.547 nan 8.370 nan 0.000 0.524 343 G N 0.177 108.367 108.800 -1.017 0.000 2.137 343 G HA2 -0.063 3.896 3.960 -0.001 0.000 0.237 343 G HA3 -0.063 3.896 3.960 -0.001 0.000 0.237 343 G C 0.481 175.107 174.900 -0.457 0.000 1.002 343 G CA 0.012 44.361 45.100 -1.251 0.000 0.702 343 G HN 0.854 nan 8.290 nan 0.000 0.515 344 A N -0.182 122.432 122.820 -0.344 0.000 2.440 344 A HA 0.681 5.001 4.320 -0.001 0.000 0.251 344 A C 0.778 178.255 177.584 -0.178 0.000 1.089 344 A CA -0.157 51.761 52.037 -0.197 0.000 0.779 344 A CB 0.447 19.345 19.000 -0.170 0.000 1.022 344 A HN 0.913 nan 8.150 nan 0.000 0.492 345 L N 2.952 124.096 121.223 -0.132 0.000 2.410 345 L HA 0.143 4.483 4.340 -0.001 0.000 0.273 345 L C 0.810 177.603 176.870 -0.128 0.000 1.152 345 L CA -0.141 54.587 54.840 -0.187 0.000 0.855 345 L CB 1.138 43.083 42.059 -0.189 0.000 1.129 345 L HN 0.612 nan 8.230 nan 0.000 0.463 346 V N 0.825 120.663 119.914 -0.127 0.000 3.359 346 V HA 0.158 4.277 4.120 -0.001 0.000 0.245 346 V C 0.239 176.276 176.094 -0.094 0.000 1.247 346 V CA 0.760 62.998 62.300 -0.104 0.000 1.145 346 V CB 0.891 32.651 31.823 -0.105 0.000 0.906 346 V HN 0.870 nan 8.190 nan 0.000 0.464 347 S N -0.505 115.134 115.700 -0.101 0.000 2.586 347 S HA 0.774 5.244 4.470 -0.001 0.000 0.277 347 S C -1.092 173.426 174.600 -0.137 0.000 1.131 347 S CA 0.036 58.177 58.200 -0.098 0.000 0.848 347 S CB 1.869 65.022 63.200 -0.078 0.000 1.091 347 S HN 1.036 nan 8.310 nan 0.000 0.453 348 A N 2.544 125.258 122.820 -0.177 0.000 2.768 348 A HA 0.666 4.985 4.320 -0.001 0.000 0.298 348 A C -0.908 176.514 177.584 -0.270 0.000 1.159 348 A CA -0.742 51.085 52.037 -0.351 0.000 0.783 348 A CB 0.176 18.906 19.000 -0.450 0.000 1.333 348 A HN 0.692 nan 8.150 nan 0.000 0.412 349 N N 1.128 119.709 118.700 -0.199 0.000 2.459 349 N HA 0.382 5.121 4.740 -0.001 0.000 0.288 349 N C -0.600 174.828 175.510 -0.137 0.000 1.186 349 N CA -0.482 52.508 53.050 -0.100 0.000 0.917 349 N CB 1.142 39.661 38.487 0.054 0.000 1.219 349 N HN 0.530 nan 8.380 nan 0.000 0.525 350 K N 0.939 121.304 120.400 -0.058 0.000 2.270 350 K HA 0.203 4.522 4.320 -0.001 0.000 0.276 350 K C 1.192 177.779 176.600 -0.022 0.000 1.023 350 K CA -0.279 55.973 56.287 -0.058 0.000 0.955 350 K CB 1.071 33.551 32.500 -0.034 0.000 0.975 350 K HN 0.357 nan 8.250 nan 0.000 0.471 351 L N 0.923 122.125 121.223 -0.035 0.000 2.083 351 L HA -0.157 4.182 4.340 -0.001 0.000 0.209 351 L C 0.660 177.452 176.870 -0.130 0.000 1.083 351 L CA 1.409 56.235 54.840 -0.023 0.000 0.752 351 L CB -0.069 42.018 42.059 0.046 0.000 0.899 351 L HN 0.732 nan 8.230 nan 0.000 0.433 352 D N -2.383 117.989 120.400 -0.047 0.000 2.661 352 D HA 0.084 4.723 4.640 -0.001 0.000 0.228 352 D C -0.158 176.125 176.300 -0.027 0.000 1.183 352 D CA -0.531 53.403 54.000 -0.110 0.000 0.844 352 D CB 1.371 42.128 40.800 -0.072 0.000 1.555 352 D HN 0.079 nan 8.370 nan 0.000 0.453 353 D N -0.295 120.071 120.400 -0.057 0.000 2.371 353 D HA -0.092 4.547 4.640 -0.001 0.000 0.221 353 D C 1.302 177.603 176.300 0.002 0.000 0.986 353 D CA 0.841 54.826 54.000 -0.025 0.000 0.899 353 D CB -0.249 40.531 40.800 -0.033 0.000 0.902 353 D HN 0.342 nan 8.370 nan 0.000 0.530 354 T N -2.442 112.145 114.554 0.054 0.000 3.148 354 T HA 0.090 4.440 4.350 -0.001 0.000 0.253 354 T C 0.862 175.563 174.700 0.002 0.000 1.134 354 T CA -0.422 61.714 62.100 0.060 0.000 1.051 354 T CB -0.488 68.468 68.868 0.147 0.000 0.959 354 T HN -0.031 nan 8.240 nan 0.000 0.525 355 V N 4.455 124.367 119.914 -0.003 0.000 2.540 355 V HA 0.131 4.250 4.120 -0.001 0.000 0.297 355 V C 1.074 177.017 176.094 -0.252 0.000 1.024 355 V CA 0.347 62.529 62.300 -0.196 0.000 1.105 355 V CB -0.015 31.699 31.823 -0.183 0.000 0.938 355 V HN 0.803 nan 8.190 nan 0.000 0.482 356 N N 3.786 122.235 118.700 -0.418 0.000 2.143 356 N HA -0.011 4.729 4.740 -0.001 0.000 0.222 356 N C 0.762 175.971 175.510 -0.502 0.000 1.264 356 N CA 0.242 53.009 53.050 -0.472 0.000 0.897 356 N CB 0.610 38.645 38.487 -0.753 0.000 1.092 356 N HN 0.331 nan 8.380 nan 0.000 0.516 357 V N -0.625 118.928 119.914 -0.602 0.000 2.667 357 V HA 0.263 4.383 4.120 -0.001 0.000 0.252 357 V C -0.718 175.018 176.094 -0.597 0.000 1.065 357 V CA 1.152 63.015 62.300 -0.728 0.000 1.083 357 V CB -0.405 30.631 31.823 -1.311 0.000 0.692 357 V HN 0.121 nan 8.190 nan 0.000 0.468 358 F N -0.186 119.632 119.950 -0.221 0.000 2.540 358 F HA 0.562 5.089 4.527 -0.001 0.000 0.317 358 F C 0.877 176.623 175.800 -0.090 0.000 1.104 358 F CA -1.504 56.420 58.000 -0.126 0.000 0.913 358 F CB 1.790 40.705 39.000 -0.141 0.000 1.170 358 F HN -0.283 nan 8.300 nan 0.000 0.450 359 K N 0.839 121.341 120.400 0.170 0.000 2.057 359 K HA 0.032 4.352 4.320 -0.001 0.000 0.206 359 K C 0.428 177.060 176.600 0.053 0.000 1.050 359 K CA 1.201 57.539 56.287 0.084 0.000 0.935 359 K CB 0.017 32.563 32.500 0.076 0.000 0.715 359 K HN 0.781 nan 8.250 nan 0.000 0.439 360 S N -1.842 113.885 115.700 0.045 0.000 2.669 360 S HA 0.285 4.754 4.470 -0.001 0.000 0.266 360 S C -1.198 173.353 174.600 -0.081 0.000 1.149 360 S CA -1.093 57.098 58.200 -0.016 0.000 0.842 360 S CB 1.469 64.659 63.200 -0.017 0.000 1.160 360 S HN -0.193 nan 8.310 nan 0.000 0.487 361 V N 2.235 122.086 119.914 -0.107 0.000 2.349 361 V HA 0.421 4.541 4.120 -0.001 0.000 0.284 361 V C -0.538 175.519 176.094 -0.062 0.000 1.014 361 V CA -0.566 61.658 62.300 -0.126 0.000 0.826 361 V CB 1.111 32.835 31.823 -0.165 0.000 1.009 361 V HN 0.938 nan 8.190 nan 0.000 0.431 362 D N 4.320 124.700 120.400 -0.034 0.000 2.389 362 D HA 0.054 4.694 4.640 -0.001 0.000 0.263 362 D C 1.095 177.406 176.300 0.019 0.000 1.255 362 D CA 0.222 54.219 54.000 -0.005 0.000 0.914 362 D CB 1.143 41.949 40.800 0.009 0.000 1.116 362 D HN 0.483 nan 8.370 nan 0.000 0.502 363 L N 3.449 124.673 121.223 0.002 0.000 2.275 363 L HA -0.125 4.215 4.340 -0.001 0.000 0.215 363 L C 2.072 178.969 176.870 0.046 0.000 1.119 363 L CA 0.877 55.722 54.840 0.008 0.000 0.790 363 L CB -0.055 41.989 42.059 -0.024 0.000 0.919 363 L HN 0.247 nan 8.230 nan 0.000 0.443 364 K N -0.853 119.567 120.400 0.033 0.000 2.334 364 K HA -0.009 4.310 4.320 -0.001 0.000 0.195 364 K C 1.927 178.564 176.600 0.061 0.000 1.045 364 K CA 0.957 57.258 56.287 0.023 0.000 1.004 364 K CB 0.291 32.774 32.500 -0.028 0.000 0.837 364 K HN 0.265 nan 8.250 nan 0.000 0.510 365 T N -3.647 110.971 114.554 0.107 0.000 3.057 365 T HA 0.167 4.516 4.350 -0.001 0.000 0.254 365 T C 1.586 176.478 174.700 0.319 0.000 1.094 365 T CA 0.484 62.699 62.100 0.190 0.000 1.088 365 T CB 0.382 69.310 68.868 0.101 0.000 0.934 365 T HN 0.222 nan 8.240 nan 0.000 0.497 366 G N 1.203 110.157 108.800 0.256 0.000 2.189 366 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.267 366 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.267 366 G C 0.021 175.049 174.900 0.214 0.000 0.975 366 G CA 0.178 45.453 45.100 0.292 0.000 0.644 366 G HN 0.641 nan 8.290 nan 0.000 0.537 367 Q N 0.823 120.683 119.800 0.100 0.000 2.230 367 Q HA 0.453 4.793 4.340 -0.001 0.000 0.248 367 Q C -2.388 173.567 176.000 -0.075 0.000 0.915 367 Q CA -1.722 54.080 55.803 -0.002 0.000 0.900 367 Q CB 1.982 30.722 28.738 0.004 0.000 1.229 367 Q HN 0.364 nan 8.270 nan 0.000 0.439 368 P HA 0.152 nan 4.420 nan 0.000 0.293 368 P C -0.446 176.697 177.300 -0.262 0.000 1.300 368 P CA -0.459 62.372 63.100 -0.447 0.000 0.792 368 P CB 0.986 31.997 31.700 -1.147 0.000 0.925 369 V N 5.586 125.428 119.914 -0.121 0.000 2.403 369 V HA 0.086 4.205 4.120 -0.001 0.000 0.265 369 V C 1.260 177.460 176.094 0.177 0.000 1.034 369 V CA -0.024 62.292 62.300 0.027 0.000 1.036 369 V CB -0.922 30.920 31.823 0.032 0.000 1.032 369 V HN 0.454 nan 8.190 nan 0.000 0.478 370 R N 3.217 123.861 120.500 0.240 0.000 2.438 370 R HA 0.239 4.579 4.340 -0.001 0.000 0.287 370 R C -0.027 176.414 176.300 0.235 0.000 1.077 370 R CA -0.430 55.887 56.100 0.361 0.000 1.034 370 R CB 0.644 31.159 30.300 0.359 0.000 0.993 370 R HN 0.635 nan 8.270 nan 0.000 0.459 371 D N 4.468 125.005 120.400 0.228 0.000 2.456 371 D HA 0.148 4.787 4.640 -0.001 0.000 0.219 371 D C -1.723 174.690 176.300 0.189 0.000 1.126 371 D CA -2.506 51.610 54.000 0.193 0.000 0.890 371 D CB 1.427 42.368 40.800 0.234 0.000 1.025 371 D HN 0.186 nan 8.370 nan 0.000 0.511 372 P HA -0.192 nan 4.420 nan 0.000 0.218 372 P C 1.101 178.421 177.300 0.034 0.000 1.152 372 P CA 0.903 64.055 63.100 0.085 0.000 0.857 372 P CB 0.338 32.064 31.700 0.042 0.000 0.787 373 E N -2.052 118.123 120.200 -0.042 0.000 2.333 373 E HA -0.180 4.170 4.350 -0.001 0.000 0.200 373 E C 0.549 176.851 176.600 -0.496 0.000 1.010 373 E CA 1.138 57.371 56.400 -0.279 0.000 0.841 373 E CB -0.195 29.256 29.700 -0.414 0.000 0.757 373 E HN 0.495 nan 8.360 nan 0.000 0.508 374 Y N -1.302 119.054 120.300 0.093 0.000 2.641 374 Y HA 0.298 4.848 4.550 -0.001 0.000 0.248 374 Y C 1.094 177.128 175.900 0.223 0.000 1.170 374 Y CA -0.174 57.987 58.100 0.102 0.000 1.201 374 Y CB 0.780 39.236 38.460 -0.007 0.000 1.232 374 Y HN -0.137 nan 8.280 nan 0.000 0.537 375 G N 0.464 109.442 108.800 0.296 0.000 2.621 375 G HA2 0.439 4.399 3.960 -0.001 0.000 0.271 375 G HA3 0.439 4.399 3.960 -0.001 0.000 0.271 375 G C -0.058 174.865 174.900 0.037 0.000 1.236 375 G CA -0.063 45.185 45.100 0.247 0.000 0.958 375 G HN 0.114 nan 8.290 nan 0.000 0.512 376 T N -2.753 111.647 114.554 -0.256 0.000 2.924 376 T HA 0.822 5.172 4.350 -0.001 0.000 0.291 376 T C -0.379 174.271 174.700 -0.084 0.000 1.045 376 T CA -0.864 61.107 62.100 -0.214 0.000 1.015 376 T CB 2.233 70.683 68.868 -0.697 0.000 1.103 376 T HN 1.141 nan 8.240 nan 0.000 0.496 377 R N 0.697 121.249 120.500 0.086 0.000 2.765 377 R HA 0.516 4.856 4.340 -0.001 0.000 0.277 377 R C -1.163 175.230 176.300 0.155 0.000 1.028 377 R CA -1.107 55.049 56.100 0.093 0.000 0.860 377 R CB 0.793 31.132 30.300 0.065 0.000 1.270 377 R HN 0.618 nan 8.270 nan 0.000 0.484 378 M N 2.056 121.724 119.600 0.114 0.000 2.246 378 M HA 0.068 4.548 4.480 -0.001 0.000 0.327 378 M C -0.220 176.162 176.300 0.138 0.000 1.090 378 M CA 1.571 56.943 55.300 0.119 0.000 1.087 378 M CB -0.226 32.426 32.600 0.086 0.000 1.587 378 M HN 0.766 nan 8.290 nan 0.000 0.444 379 D N 0.830 121.313 120.400 0.139 0.000 3.012 379 D HA -0.242 4.398 4.640 -0.001 0.000 0.222 379 D C -0.880 175.539 176.300 0.198 0.000 1.167 379 D CA 1.445 55.526 54.000 0.134 0.000 0.854 379 D CB -1.661 39.198 40.800 0.098 0.000 1.107 379 D HN 0.815 nan 8.370 nan 0.000 0.421 380 H N -0.685 118.437 119.070 0.087 0.000 2.961 380 H HA 0.624 5.180 4.556 -0.001 0.000 0.371 380 H C -1.646 173.755 175.328 0.121 0.000 1.190 380 H CA -0.970 55.129 56.048 0.085 0.000 1.138 380 H CB 1.241 31.043 29.762 0.066 0.000 1.816 380 H HN -0.030 nan 8.280 nan 0.000 0.551 381 L N 3.464 124.354 121.223 -0.554 0.000 2.324 381 L HA 0.758 5.098 4.340 -0.001 0.000 0.274 381 L C -0.745 175.790 176.870 -0.559 0.000 1.012 381 L CA -0.340 54.286 54.840 -0.356 0.000 0.859 381 L CB 0.384 42.383 42.059 -0.101 0.000 1.224 381 L HN 0.767 nan 8.230 nan 0.000 0.429 382 A N 5.243 127.891 122.820 -0.287 0.000 2.363 382 A HA 0.640 4.959 4.320 -0.001 0.000 0.270 382 A C -0.236 177.406 177.584 0.096 0.000 1.121 382 A CA -0.285 51.708 52.037 -0.072 0.000 0.800 382 A CB 0.254 19.303 19.000 0.082 0.000 1.052 382 A HN 0.722 nan 8.150 nan 0.000 0.493 383 K N 1.254 121.732 120.400 0.130 0.000 2.375 383 K HA 0.406 4.726 4.320 -0.001 0.000 0.249 383 K C -1.128 175.651 176.600 0.298 0.000 0.942 383 K CA -0.919 55.492 56.287 0.207 0.000 0.806 383 K CB 1.628 34.214 32.500 0.144 0.000 1.227 383 K HN 0.711 nan 8.250 nan 0.000 0.430 384 D N 1.529 122.140 120.400 0.352 0.000 2.699 384 D HA -0.188 4.452 4.640 -0.001 0.000 0.239 384 D C -0.465 175.972 176.300 0.228 0.000 1.136 384 D CA 0.949 55.151 54.000 0.337 0.000 0.668 384 D CB -0.933 40.047 40.800 0.299 0.000 1.060 384 D HN 0.417 nan 8.370 nan 0.000 0.429 385 I N 0.402 121.078 120.570 0.176 0.000 2.428 385 I HA 0.200 4.370 4.170 -0.001 0.000 0.289 385 I C 0.774 176.795 176.117 -0.159 0.000 1.019 385 I CA -0.214 61.101 61.300 0.026 0.000 1.351 385 I CB 1.366 39.435 38.000 0.116 0.000 1.412 385 I HN 0.053 nan 8.210 nan 0.000 0.513 386 c N 6.671 125.060 118.600 -0.351 0.000 2.482 386 c HA 0.482 5.052 4.570 -0.001 0.000 0.317 386 c C -2.399 171.257 174.090 -0.724 0.000 1.197 386 c CA -1.383 54.677 56.329 -0.448 0.000 1.432 386 c CB 1.747 44.077 42.510 -0.300 0.000 2.062 386 c HN 0.457 nan 8.230 nan 0.000 0.471 387 P HA 0.303 nan 4.420 nan 0.000 0.276 387 P C -0.169 177.019 177.300 -0.187 0.000 1.261 387 P CA -0.097 62.472 63.100 -0.885 0.000 0.800 387 P CB 0.665 31.690 31.700 -1.126 0.000 1.066 388 S N 0.014 115.717 115.700 0.004 0.000 2.661 388 S HA 0.415 4.884 4.470 -0.001 0.000 0.265 388 S C 1.459 176.258 174.600 0.332 0.000 1.225 388 S CA 0.078 58.367 58.200 0.148 0.000 0.986 388 S CB -0.035 63.209 63.200 0.074 0.000 1.008 388 S HN 0.442 nan 8.310 nan 0.000 0.565 389 A N 0.454 123.510 122.820 0.394 0.000 2.024 389 A HA -0.078 4.241 4.320 -0.001 0.000 0.220 389 A C 2.138 180.075 177.584 0.589 0.000 1.164 389 A CA 1.618 53.936 52.037 0.468 0.000 0.643 389 A CB -1.067 18.226 19.000 0.489 0.000 0.806 389 A HN 0.834 nan 8.150 nan 0.000 0.451 390 M N -0.841 119.026 119.600 0.445 0.000 2.557 390 M HA 0.137 4.617 4.480 -0.001 0.000 0.259 390 M C 1.218 177.795 176.300 0.461 0.000 1.086 390 M CA 0.666 56.275 55.300 0.515 0.000 1.096 390 M CB -0.673 32.091 32.600 0.274 0.000 1.424 390 M HN 0.599 nan 8.290 nan 0.000 0.488 391 G N -0.167 108.842 108.800 0.348 0.000 2.880 391 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.617 391 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.617 391 G C -0.431 174.656 174.900 0.311 0.000 1.493 391 G CA -0.640 44.575 45.100 0.191 0.000 0.916 391 G HN 0.310 nan 8.290 nan 0.000 0.553 392 Y N 1.078 121.365 120.300 -0.021 0.000 2.529 392 Y HA 0.245 4.794 4.550 -0.001 0.000 0.290 392 Y C 1.440 177.385 175.900 0.074 0.000 1.177 392 Y CA 0.886 58.993 58.100 0.013 0.000 1.305 392 Y CB 0.006 38.434 38.460 -0.054 0.000 1.047 392 Y HN 0.692 nan 8.280 nan 0.000 0.522 393 H N -0.393 118.759 119.070 0.137 0.000 3.137 393 H HA 0.231 4.787 4.556 -0.001 0.000 0.336 393 H C -1.128 174.198 175.328 -0.004 0.000 1.055 393 H CA -0.392 55.685 56.048 0.050 0.000 1.349 393 H CB 1.178 30.957 29.762 0.028 0.000 1.939 393 H HN 0.078 nan 8.280 nan 0.000 0.487 394 N N 0.999 119.661 118.700 -0.064 0.000 3.178 394 N HA -0.011 4.729 4.740 -0.001 0.000 0.352 394 N C 1.146 176.667 175.510 0.017 0.000 1.423 394 N CA -0.286 52.684 53.050 -0.133 0.000 0.698 394 N CB 1.190 39.157 38.487 -0.865 0.000 1.400 394 N HN 0.675 nan 8.380 nan 0.000 0.586 395 Q N 0.804 120.582 119.800 -0.036 0.000 2.376 395 Q HA -0.070 4.270 4.340 -0.001 0.000 0.211 395 Q C 0.150 176.432 176.000 0.471 0.000 0.986 395 Q CA 0.962 56.923 55.803 0.264 0.000 0.886 395 Q CB -0.912 28.072 28.738 0.409 0.000 0.927 395 Q HN 0.609 nan 8.270 nan 0.000 0.457 396 G N 1.017 109.953 108.800 0.226 0.000 2.391 396 G HA2 -0.119 3.840 3.960 -0.001 0.000 0.234 396 G HA3 -0.119 3.840 3.960 -0.001 0.000 0.234 396 G C -0.868 174.293 174.900 0.435 0.000 1.284 396 G CA -0.153 45.161 45.100 0.358 0.000 0.873 396 G HN 0.430 nan 8.290 nan 0.000 0.549 397 H N 2.173 121.355 119.070 0.186 0.000 2.581 397 H HA 0.262 4.818 4.556 -0.001 0.000 0.308 397 H C -0.294 175.010 175.328 -0.039 0.000 1.040 397 H CA -0.670 55.246 56.048 -0.220 0.000 1.231 397 H CB 0.722 29.896 29.762 -0.980 0.000 1.396 397 H HN 0.471 nan 8.280 nan 0.000 0.467 398 D N 1.946 122.434 120.400 0.147 0.000 2.425 398 D HA 0.187 4.827 4.640 -0.001 0.000 0.274 398 D C 0.316 176.838 176.300 0.371 0.000 1.242 398 D CA -0.186 53.992 54.000 0.296 0.000 1.060 398 D CB 0.795 41.777 40.800 0.304 0.000 1.112 398 D HN 0.614 nan 8.370 nan 0.000 0.561 399 S N -1.572 114.390 115.700 0.437 0.000 2.651 399 S HA 0.591 5.061 4.470 -0.001 0.000 0.279 399 S C -1.518 173.407 174.600 0.542 0.000 1.148 399 S CA -0.943 57.550 58.200 0.488 0.000 0.837 399 S CB 1.841 65.342 63.200 0.502 0.000 1.138 399 S HN 0.494 nan 8.310 nan 0.000 0.478 400 Y N 0.956 121.422 120.300 0.276 0.000 2.386 400 Y HA 0.503 5.053 4.550 -0.001 0.000 0.334 400 Y C -1.513 174.339 175.900 -0.080 0.000 1.002 400 Y CA -0.727 57.337 58.100 -0.060 0.000 1.068 400 Y CB 1.713 39.979 38.460 -0.323 0.000 1.203 400 Y HN 0.846 nan 8.280 nan 0.000 0.443 401 D N 8.256 128.221 120.400 -0.724 0.000 2.380 401 D HA 0.260 4.900 4.640 -0.001 0.000 0.230 401 D C -2.083 173.369 176.300 -1.414 0.000 1.154 401 D CA -2.181 51.322 54.000 -0.828 0.000 0.859 401 D CB 2.058 42.765 40.800 -0.156 0.000 1.045 401 D HN 0.404 nan 8.370 nan 0.000 0.495 402 P HA -0.096 nan 4.420 nan 0.000 0.220 402 P C 1.274 178.253 177.300 -0.536 0.000 1.148 402 P CA 0.802 63.402 63.100 -0.833 0.000 0.803 402 P CB 0.451 31.864 31.700 -0.479 0.000 0.782 403 K N -0.207 119.898 120.400 -0.492 0.000 2.076 403 K HA -0.017 4.303 4.320 -0.001 0.000 0.204 403 K C 1.971 178.439 176.600 -0.220 0.000 1.051 403 K CA 1.063 57.196 56.287 -0.257 0.000 0.949 403 K CB 0.016 32.422 32.500 -0.156 0.000 0.726 403 K HN 0.048 nan 8.250 nan 0.000 0.443 404 R N 0.415 120.755 120.500 -0.267 0.000 2.276 404 R HA 0.038 4.377 4.340 -0.001 0.000 0.196 404 R C -0.119 176.016 176.300 -0.275 0.000 0.961 404 R CA 0.243 56.227 56.100 -0.195 0.000 1.024 404 R CB 0.212 30.451 30.300 -0.101 0.000 0.940 404 R HN 0.242 nan 8.270 nan 0.000 0.480 405 E N 0.267 120.203 120.200 -0.441 0.000 2.476 405 E HA -0.212 4.138 4.350 -0.001 0.000 0.251 405 E C -1.135 175.259 176.600 -0.344 0.000 1.130 405 E CA 0.217 56.407 56.400 -0.350 0.000 0.736 405 E CB -1.014 28.605 29.700 -0.135 0.000 1.298 405 E HN 0.046 nan 8.360 nan 0.000 0.400 406 L N 0.431 121.290 121.223 -0.607 0.000 2.346 406 L HA 0.527 4.866 4.340 -0.001 0.000 0.276 406 L C -0.352 176.057 176.870 -0.769 0.000 1.006 406 L CA -0.166 54.305 54.840 -0.615 0.000 0.817 406 L CB 1.055 42.705 42.059 -0.683 0.000 1.272 406 L HN 0.001 nan 8.230 nan 0.000 0.421 407 F N 3.409 123.163 119.950 -0.325 0.000 2.415 407 F HA 0.465 4.992 4.527 -0.001 0.000 0.348 407 F C -0.344 175.242 175.800 -0.356 0.000 1.119 407 F CA -0.293 57.625 58.000 -0.137 0.000 1.069 407 F CB 0.846 39.895 39.000 0.082 0.000 1.124 407 F HN 0.176 nan 8.300 nan 0.000 0.472 408 F N 4.309 124.415 119.950 0.260 0.000 2.334 408 F HA 0.488 5.015 4.527 -0.001 0.000 0.367 408 F C -0.010 175.896 175.800 0.177 0.000 1.115 408 F CA -0.696 57.388 58.000 0.138 0.000 1.116 408 F CB 0.625 39.736 39.000 0.184 0.000 1.230 408 F HN 0.218 nan 8.300 nan 0.000 0.484 409 M N 2.369 122.116 119.600 0.245 0.000 2.404 409 M HA 0.526 5.006 4.480 -0.001 0.000 0.338 409 M C 0.444 176.820 176.300 0.128 0.000 1.150 409 M CA -0.754 54.688 55.300 0.238 0.000 1.016 409 M CB 1.826 34.565 32.600 0.232 0.000 1.672 409 M HN 0.676 nan 8.290 nan 0.000 0.448 410 G N 4.079 112.928 108.800 0.082 0.000 2.393 410 G HA2 0.525 4.485 3.960 -0.001 0.000 0.311 410 G HA3 0.525 4.485 3.960 -0.001 0.000 0.311 410 G C -0.303 174.504 174.900 -0.156 0.000 1.067 410 G CA -0.437 44.637 45.100 -0.043 0.000 1.000 410 G HN 0.503 nan 8.290 nan 0.000 0.422 411 I N 1.574 122.104 120.570 -0.067 0.000 2.664 411 I HA 0.362 4.532 4.170 -0.001 0.000 0.308 411 I C -0.349 175.765 176.117 -0.005 0.000 0.984 411 I CA -1.312 59.953 61.300 -0.058 0.000 1.213 411 I CB 1.583 39.548 38.000 -0.059 0.000 1.379 411 I HN 0.243 nan 8.210 nan 0.000 0.501 412 N N 1.654 120.364 118.700 0.016 0.000 2.399 412 N HA 0.285 5.025 4.740 -0.001 0.000 0.295 412 N C -0.788 174.668 175.510 -0.090 0.000 1.048 412 N CA -0.384 52.731 53.050 0.107 0.000 0.886 412 N CB 0.923 39.566 38.487 0.260 0.000 1.185 412 N HN 0.477 nan 8.380 nan 0.000 0.487 413 H N 1.818 120.787 119.070 -0.169 0.000 2.418 413 H HA 0.538 5.094 4.556 -0.001 0.000 0.238 413 H C -1.139 174.129 175.328 -0.100 0.000 1.403 413 H CA -0.307 55.542 56.048 -0.331 0.000 1.419 413 H CB -0.374 29.233 29.762 -0.258 0.000 1.463 413 H HN 0.443 nan 8.280 nan 0.000 0.515 414 I N 2.826 123.369 120.570 -0.046 0.000 2.534 414 I HA 0.301 4.471 4.170 -0.001 0.000 0.288 414 I C -0.433 175.672 176.117 -0.021 0.000 1.077 414 I CA -0.638 60.633 61.300 -0.049 0.000 1.051 414 I CB 1.681 39.692 38.000 0.018 0.000 1.234 414 I HN 0.396 nan 8.210 nan 0.000 0.425 415 c N 5.572 124.017 118.600 -0.259 0.000 2.564 415 c HA 0.880 5.450 4.570 -0.001 0.000 0.381 415 c C -0.008 173.691 174.090 -0.652 0.000 1.297 415 c CA -0.606 55.524 56.329 -0.331 0.000 1.846 415 c CB 1.718 44.076 42.510 -0.252 0.000 2.198 415 c HN 0.888 nan 8.230 nan 0.000 0.507 416 M N 0.153 119.507 119.600 -0.410 0.000 2.578 416 M HA 0.612 5.092 4.480 -0.001 0.000 0.276 416 M C -2.322 174.051 176.300 0.122 0.000 1.245 416 M CA -0.265 54.897 55.300 -0.230 0.000 0.871 416 M CB 1.864 34.508 32.600 0.072 0.000 1.722 416 M HN 0.357 nan 8.290 nan 0.000 0.473 417 D N 1.500 122.070 120.400 0.283 0.000 2.181 417 D HA 0.582 5.221 4.640 -0.001 0.000 0.248 417 D C -1.752 174.768 176.300 0.366 0.000 1.020 417 D CA 0.401 54.601 54.000 0.333 0.000 0.891 417 D CB 1.892 42.883 40.800 0.318 0.000 1.187 417 D HN 0.616 nan 8.370 nan 0.000 0.443 418 W N 1.897 123.259 121.300 0.103 0.000 3.274 418 W HA 0.368 5.027 4.660 -0.000 0.000 0.327 418 W C -1.647 174.897 176.519 0.041 0.000 1.172 418 W CA -0.638 56.764 57.345 0.094 0.000 1.217 418 W CB 1.503 31.021 29.460 0.097 0.000 1.376 418 W HN 0.447 nan 8.180 nan 0.000 0.507 419 E N 7.536 127.785 120.200 0.082 0.000 2.349 419 E HA 0.350 4.699 4.350 -0.001 0.000 0.290 419 E C -2.726 173.874 176.600 0.000 0.000 0.901 419 E CA -1.403 55.087 56.400 0.149 0.000 0.800 419 E CB 2.939 32.701 29.700 0.103 0.000 1.303 419 E HN -0.006 nan 8.360 nan 0.000 0.397 420 P HA 0.375 nan 4.420 nan 0.000 0.279 420 P C -0.852 176.483 177.300 0.058 0.000 1.282 420 P CA -0.333 62.740 63.100 -0.046 0.000 0.788 420 P CB 0.484 32.239 31.700 0.092 0.000 1.139 421 F N -3.053 116.891 119.950 -0.011 0.000 2.678 421 F HA 0.483 5.010 4.527 -0.000 0.000 0.308 421 F C -0.832 174.962 175.800 -0.009 0.000 1.118 421 F CA -1.600 56.395 58.000 -0.009 0.000 0.959 421 F CB 0.378 39.358 39.000 -0.033 0.000 1.305 421 F HN -0.024 nan 8.300 nan 0.000 0.443 422 M N 3.998 123.768 119.600 0.284 0.000 2.240 422 M HA 0.659 5.139 4.480 -0.001 0.000 0.333 422 M C -0.343 176.134 176.300 0.294 0.000 1.110 422 M CA -0.332 55.085 55.300 0.196 0.000 1.173 422 M CB 0.876 33.566 32.600 0.150 0.000 1.458 422 M HN 0.902 nan 8.290 nan 0.000 0.458 423 L N 0.795 122.148 121.223 0.216 0.000 2.731 423 L HA 0.690 5.030 4.340 -0.001 0.000 0.256 423 L C -2.994 174.053 176.870 0.294 0.000 0.947 423 L CA -1.579 53.411 54.840 0.252 0.000 0.914 423 L CB 1.740 43.984 42.059 0.307 0.000 1.470 423 L HN 0.392 nan 8.230 nan 0.000 0.421 424 P HA 0.250 nan 4.420 nan 0.000 0.274 424 P C -1.784 175.686 177.300 0.284 0.000 1.246 424 P CA 0.015 63.253 63.100 0.230 0.000 0.795 424 P CB 0.360 32.129 31.700 0.115 0.000 1.006 425 Y N 1.043 121.345 120.300 0.005 0.000 2.331 425 Y HA 0.446 4.995 4.550 -0.000 0.000 0.338 425 Y C -0.224 175.560 175.900 -0.194 0.000 0.976 425 Y CA -0.630 57.291 58.100 -0.299 0.000 1.137 425 Y CB 1.149 39.148 38.460 -0.768 0.000 1.172 425 Y HN 0.182 nan 8.280 nan 0.000 0.478 426 R N 5.494 125.456 120.500 -0.896 0.000 2.422 426 R HA 0.568 4.908 4.340 -0.001 0.000 0.307 426 R C -0.581 175.174 176.300 -0.908 0.000 1.004 426 R CA -0.968 54.709 56.100 -0.705 0.000 0.882 426 R CB 1.483 31.594 30.300 -0.314 0.000 1.164 426 R HN 0.874 nan 8.270 nan 0.000 0.489 427 A N 1.390 123.668 122.820 -0.904 0.000 2.598 427 A HA 0.296 4.616 4.320 -0.001 0.000 0.239 427 A C 1.398 178.792 177.584 -0.317 0.000 1.032 427 A CA 1.446 53.181 52.037 -0.504 0.000 0.760 427 A CB -0.284 18.622 19.000 -0.156 0.000 0.946 427 A HN 1.050 nan 8.150 nan 0.000 0.512 428 G N 1.375 110.022 108.800 -0.255 0.000 2.213 428 G HA2 -0.179 3.781 3.960 -0.001 0.000 0.226 428 G HA3 -0.179 3.781 3.960 -0.001 0.000 0.226 428 G C 0.150 174.905 174.900 -0.240 0.000 0.992 428 G CA 0.431 45.408 45.100 -0.206 0.000 0.632 428 G HN 0.960 nan 8.290 nan 0.000 0.511 429 Q N -0.666 118.975 119.800 -0.265 0.000 2.297 429 Q HA 0.676 5.016 4.340 -0.001 0.000 0.268 429 Q C -0.438 175.457 176.000 -0.174 0.000 1.045 429 Q CA -1.040 54.649 55.803 -0.190 0.000 0.861 429 Q CB 1.480 30.153 28.738 -0.109 0.000 1.344 429 Q HN 0.147 nan 8.270 nan 0.000 0.452 430 F N 1.009 120.940 119.950 -0.032 0.000 2.553 430 F HA -0.003 4.523 4.527 -0.001 0.000 0.356 430 F C 0.476 176.346 175.800 0.117 0.000 1.142 430 F CA 0.630 58.630 58.000 -0.001 0.000 1.322 430 F CB 0.271 39.225 39.000 -0.077 0.000 1.126 430 F HN 0.442 nan 8.300 nan 0.000 0.599 431 F N 3.293 123.306 119.950 0.106 0.000 2.566 431 F HA 0.377 4.904 4.527 -0.001 0.000 0.347 431 F C -0.169 175.616 175.800 -0.025 0.000 1.515 431 F CA -0.501 57.547 58.000 0.081 0.000 1.103 431 F CB -0.353 38.762 39.000 0.191 0.000 1.385 431 F HN 0.174 nan 8.300 nan 0.000 0.560 432 V N 1.059 120.815 119.914 -0.262 0.000 2.326 432 V HA 0.223 4.343 4.120 -0.001 0.000 0.238 432 V C 1.722 177.389 176.094 -0.712 0.000 1.038 432 V CA 1.231 63.102 62.300 -0.716 0.000 1.032 432 V CB -1.062 30.159 31.823 -1.003 0.000 0.675 432 V HN 0.707 nan 8.190 nan 0.000 0.467 433 G N 0.530 108.856 108.800 -0.790 0.000 2.298 433 G HA2 0.177 4.136 3.960 -0.001 0.000 0.287 433 G HA3 0.177 4.136 3.960 -0.001 0.000 0.287 433 G C -0.071 173.954 174.900 -1.458 0.000 1.075 433 G CA 0.482 44.734 45.100 -1.414 0.000 0.960 433 G HN 1.535 nan 8.290 nan 0.000 0.502 434 A N -1.133 120.930 122.820 -1.261 0.000 2.565 434 A HA 0.887 5.206 4.320 -0.001 0.000 0.298 434 A C -0.322 177.040 177.584 -0.369 0.000 1.062 434 A CA 0.547 52.143 52.037 -0.735 0.000 0.723 434 A CB 1.298 19.869 19.000 -0.715 0.000 1.282 434 A HN 1.872 nan 8.150 nan 0.000 0.400 435 T N 2.469 116.915 114.554 -0.181 0.000 2.786 435 T HA 0.638 4.988 4.350 -0.001 0.000 0.283 435 T C -0.696 173.928 174.700 -0.126 0.000 0.992 435 T CA -0.254 61.814 62.100 -0.053 0.000 0.954 435 T CB -0.260 68.656 68.868 0.080 0.000 0.934 435 T HN 0.543 nan 8.240 nan 0.000 0.440 436 L N 4.301 125.491 121.223 -0.054 0.000 2.335 436 L HA 0.737 5.077 4.340 -0.001 0.000 0.268 436 L C 0.061 177.003 176.870 0.120 0.000 1.016 436 L CA -0.783 54.086 54.840 0.048 0.000 0.805 436 L CB 1.532 43.678 42.059 0.144 0.000 1.311 436 L HN 0.798 nan 8.230 nan 0.000 0.456 437 N N 0.451 119.257 118.700 0.176 0.000 2.572 437 N HA 0.530 5.270 4.740 -0.001 0.000 0.287 437 N C -1.640 174.004 175.510 0.224 0.000 1.136 437 N CA -0.264 52.915 53.050 0.215 0.000 0.900 437 N CB 0.906 39.539 38.487 0.243 0.000 1.484 437 N HN 0.513 nan 8.380 nan 0.000 0.526 438 M N 2.544 122.241 119.600 0.162 0.000 2.644 438 M HA 0.590 5.070 4.480 -0.001 0.000 0.316 438 M C -1.081 175.289 176.300 0.116 0.000 1.200 438 M CA -0.786 54.484 55.300 -0.050 0.000 0.944 438 M CB 1.661 34.227 32.600 -0.058 0.000 1.691 438 M HN 0.599 nan 8.290 nan 0.000 0.471 439 Y N -1.890 118.424 120.300 0.024 0.000 2.750 439 Y HA 0.680 5.229 4.550 -0.001 0.000 0.335 439 Y C -3.183 172.593 175.900 -0.207 0.000 1.252 439 Y CA -2.985 55.041 58.100 -0.123 0.000 1.064 439 Y CB -0.442 37.899 38.460 -0.199 0.000 1.321 439 Y HN 0.361 nan 8.280 nan 0.000 0.451 440 P HA 0.221 nan 4.420 nan 0.000 0.269 440 P C 0.184 177.434 177.300 -0.083 0.000 1.215 440 P CA 0.460 63.489 63.100 -0.120 0.000 0.780 440 P CB 0.696 32.310 31.700 -0.143 0.000 0.898 441 G N 2.288 110.932 108.800 -0.260 0.000 2.616 441 G HA2 0.179 4.139 3.960 -0.001 0.000 0.268 441 G HA3 0.179 4.139 3.960 -0.001 0.000 0.268 441 G C -1.663 173.190 174.900 -0.078 0.000 1.213 441 G CA -1.183 43.607 45.100 -0.516 0.000 0.926 441 G HN 0.303 nan 8.290 nan 0.000 0.523 442 P HA -0.130 nan 4.420 nan 0.000 0.218 442 P C 1.426 178.824 177.300 0.164 0.000 1.152 442 P CA 1.581 64.750 63.100 0.115 0.000 0.857 442 P CB 0.157 31.917 31.700 0.099 0.000 0.787 443 K N -1.152 119.455 120.400 0.345 0.000 2.487 443 K HA 0.173 4.493 4.320 -0.001 0.000 0.192 443 K C 1.320 177.932 176.600 0.020 0.000 1.027 443 K CA 0.036 56.358 56.287 0.058 0.000 1.054 443 K CB -0.044 32.333 32.500 -0.205 0.000 0.824 443 K HN 0.168 nan 8.250 nan 0.000 0.510 444 G N 0.454 109.330 108.800 0.126 0.000 2.613 444 G HA2 0.043 4.003 3.960 -0.001 0.000 0.303 444 G HA3 0.043 4.003 3.960 -0.001 0.000 0.303 444 G C -1.246 173.650 174.900 -0.007 0.000 1.312 444 G CA -0.463 44.665 45.100 0.046 0.000 1.036 444 G HN -0.009 nan 8.290 nan 0.000 0.513 445 D N -0.523 119.854 120.400 -0.039 0.000 2.441 445 D HA 0.115 4.754 4.640 -0.001 0.000 0.221 445 D C 1.319 177.563 176.300 -0.094 0.000 1.156 445 D CA -0.422 53.550 54.000 -0.046 0.000 0.896 445 D CB 0.884 41.665 40.800 -0.032 0.000 1.028 445 D HN 0.422 nan 8.370 nan 0.000 0.509 446 R N 2.569 123.001 120.500 -0.112 0.000 2.237 446 R HA -0.089 4.251 4.340 -0.001 0.000 0.219 446 R C 1.654 177.840 176.300 -0.189 0.000 1.080 446 R CA 0.937 56.902 56.100 -0.226 0.000 0.995 446 R CB 0.296 30.492 30.300 -0.173 0.000 0.875 446 R HN 0.435 nan 8.270 nan 0.000 0.462 447 Q N 0.389 120.158 119.800 -0.051 0.000 1.990 447 Q HA -0.057 4.283 4.340 -0.001 0.000 0.200 447 Q C 1.037 177.121 176.000 0.141 0.000 0.980 447 Q CA 1.306 57.133 55.803 0.040 0.000 0.832 447 Q CB -0.128 28.627 28.738 0.029 0.000 0.897 447 Q HN 0.419 nan 8.270 nan 0.000 0.427 448 N N -0.359 118.409 118.700 0.114 0.000 2.322 448 N HA -0.019 4.721 4.740 -0.001 0.000 0.194 448 N C -0.603 175.073 175.510 0.276 0.000 1.126 448 N CA -0.030 53.126 53.050 0.175 0.000 0.845 448 N CB 0.241 38.792 38.487 0.107 0.000 0.976 448 N HN 0.183 nan 8.380 nan 0.000 0.475 449 Y N 0.749 121.073 120.300 0.040 0.000 3.027 449 Y HA -0.286 4.264 4.550 -0.000 0.000 0.195 449 Y C -0.002 175.918 175.900 0.035 0.000 1.381 449 Y CA 0.574 58.700 58.100 0.044 0.000 1.015 449 Y CB -1.901 36.599 38.460 0.066 0.000 1.329 449 Y HN 0.152 nan 8.280 nan 0.000 0.462 450 E N -0.524 119.689 120.200 0.020 0.000 2.390 450 E HA 0.607 4.957 4.350 -0.001 0.000 0.277 450 E C 0.462 176.986 176.600 -0.126 0.000 0.939 450 E CA -0.521 55.814 56.400 -0.109 0.000 0.769 450 E CB 2.259 31.875 29.700 -0.141 0.000 1.251 450 E HN 0.379 nan 8.360 nan 0.000 0.450 451 G N 1.871 110.560 108.800 -0.185 0.000 2.270 451 G HA2 -0.161 3.799 3.960 -0.001 0.000 0.224 451 G HA3 -0.161 3.799 3.960 -0.001 0.000 0.224 451 G C 0.211 175.096 174.900 -0.025 0.000 1.079 451 G CA -0.399 44.636 45.100 -0.108 0.000 0.807 451 G HN 0.320 nan 8.290 nan 0.000 0.492 452 L N -0.182 121.037 121.223 -0.007 0.000 2.592 452 L HA 0.378 4.717 4.340 -0.001 0.000 0.227 452 L C 1.486 178.443 176.870 0.145 0.000 1.127 452 L CA 1.662 56.546 54.840 0.074 0.000 0.884 452 L CB -0.763 41.343 42.059 0.079 0.000 1.065 452 L HN 0.601 nan 8.230 nan 0.000 0.457 453 G N -0.168 108.691 108.800 0.098 0.000 2.766 453 G HA2 0.672 4.632 3.960 -0.001 0.000 0.288 453 G HA3 0.672 4.632 3.960 -0.001 0.000 0.288 453 G C -1.337 173.561 174.900 -0.005 0.000 1.408 453 G CA -0.241 44.916 45.100 0.095 0.000 0.852 453 G HN 0.161 nan 8.290 nan 0.000 0.487 454 Q N -1.491 118.300 119.800 -0.015 0.000 2.647 454 Q HA 0.596 4.935 4.340 -0.001 0.000 0.283 454 Q C -1.930 174.050 176.000 -0.034 0.000 0.943 454 Q CA -0.914 54.860 55.803 -0.048 0.000 0.813 454 Q CB 2.295 30.949 28.738 -0.139 0.000 1.477 454 Q HN 0.740 nan 8.270 nan 0.000 0.393 455 I N 0.588 121.160 120.570 0.004 0.000 2.533 455 I HA 0.573 4.742 4.170 -0.001 0.000 0.290 455 I C -1.816 174.342 176.117 0.069 0.000 1.056 455 I CA -0.544 60.760 61.300 0.007 0.000 1.057 455 I CB 1.712 39.658 38.000 -0.089 0.000 1.240 455 I HN 0.662 nan 8.210 nan 0.000 0.423 456 K N 5.788 126.159 120.400 -0.049 0.000 2.443 456 K HA 0.802 5.122 4.320 -0.001 0.000 0.251 456 K C -1.252 175.102 176.600 -0.411 0.000 0.972 456 K CA -0.942 55.224 56.287 -0.202 0.000 0.833 456 K CB 2.214 34.745 32.500 0.051 0.000 1.317 456 K HN 0.557 nan 8.250 nan 0.000 0.441 457 A N 1.762 124.109 122.820 -0.789 0.000 2.288 457 A HA 0.518 4.837 4.320 -0.001 0.000 0.320 457 A C -1.639 175.756 177.584 -0.317 0.000 1.217 457 A CA -0.372 51.226 52.037 -0.733 0.000 0.840 457 A CB 0.194 18.484 19.000 -1.183 0.000 1.179 457 A HN 0.713 nan 8.150 nan 0.000 0.504 458 Y N 3.127 123.186 120.300 -0.402 0.000 2.512 458 Y HA 0.540 5.089 4.550 -0.000 0.000 0.348 458 Y C -0.776 174.988 175.900 -0.225 0.000 0.990 458 Y CA -1.114 56.709 58.100 -0.462 0.000 1.033 458 Y CB 1.677 39.778 38.460 -0.598 0.000 1.259 458 Y HN 0.636 nan 8.280 nan 0.000 0.461 459 N N 3.626 121.770 118.700 -0.926 0.000 2.417 459 N HA 0.351 5.091 4.740 -0.001 0.000 0.274 459 N C 0.043 174.862 175.510 -1.152 0.000 0.987 459 N CA 0.503 53.136 53.050 -0.694 0.000 0.912 459 N CB 2.138 40.374 38.487 -0.420 0.000 1.177 459 N HN 0.972 nan 8.380 nan 0.000 0.490 460 A N 4.521 126.977 122.820 -0.608 0.000 1.969 460 A HA -0.056 4.263 4.320 -0.001 0.000 0.218 460 A C 1.812 179.226 177.584 -0.282 0.000 1.169 460 A CA 0.917 52.689 52.037 -0.441 0.000 0.635 460 A CB -0.157 18.790 19.000 -0.088 0.000 0.810 460 A HN 0.701 nan 8.150 nan 0.000 0.445 461 I N -0.675 119.759 120.570 -0.226 0.000 2.400 461 I HA -0.073 4.097 4.170 -0.001 0.000 0.248 461 I C 2.313 178.333 176.117 -0.162 0.000 1.109 461 I CA 1.608 62.815 61.300 -0.155 0.000 1.425 461 I CB -1.833 36.099 38.000 -0.113 0.000 1.094 461 I HN 0.183 nan 8.210 nan 0.000 0.425 462 T N 0.227 114.659 114.554 -0.204 0.000 2.851 462 T HA 0.113 4.463 4.350 -0.001 0.000 0.262 462 T C 1.567 176.165 174.700 -0.169 0.000 1.043 462 T CA 1.402 63.403 62.100 -0.165 0.000 1.140 462 T CB -0.194 68.577 68.868 -0.162 0.000 0.872 462 T HN 0.560 nan 8.240 nan 0.000 0.446 463 G N 1.701 110.318 108.800 -0.305 0.000 2.157 463 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.248 463 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.248 463 G C -0.351 174.473 174.900 -0.126 0.000 0.979 463 G CA 0.046 45.039 45.100 -0.178 0.000 0.650 463 G HN 0.471 nan 8.290 nan 0.000 0.529 464 D N -0.481 119.788 120.400 -0.218 0.000 2.255 464 D HA 0.545 5.185 4.640 -0.001 0.000 0.249 464 D C -0.147 176.052 176.300 -0.170 0.000 1.078 464 D CA 0.073 54.020 54.000 -0.088 0.000 0.896 464 D CB 0.366 41.125 40.800 -0.068 0.000 1.194 464 D HN 0.193 nan 8.370 nan 0.000 0.429 465 Y N 1.750 122.072 120.300 0.037 0.000 2.595 465 Y HA 0.149 4.698 4.550 -0.001 0.000 0.336 465 Y C 1.386 177.278 175.900 -0.014 0.000 0.996 465 Y CA -0.570 57.540 58.100 0.016 0.000 1.260 465 Y CB 1.368 39.843 38.460 0.024 0.000 1.108 465 Y HN 0.302 nan 8.280 nan 0.000 0.509 466 K N 3.797 124.206 120.400 0.015 0.000 2.107 466 K HA -0.146 4.174 4.320 -0.001 0.000 0.211 466 K C -0.292 176.469 176.600 0.268 0.000 1.049 466 K CA 1.902 58.242 56.287 0.088 0.000 0.927 466 K CB 0.133 32.655 32.500 0.037 0.000 0.714 466 K HN 0.721 nan 8.250 nan 0.000 0.452 467 W N -1.584 119.819 121.300 0.172 0.000 3.298 467 W HA 0.430 5.090 4.660 -0.001 0.000 0.302 467 W C -1.786 174.823 176.519 0.150 0.000 1.255 467 W CA -0.771 56.659 57.345 0.141 0.000 1.196 467 W CB 0.536 30.068 29.460 0.120 0.000 1.364 467 W HN -0.156 nan 8.180 nan 0.000 0.566 468 E N 2.021 122.500 120.200 0.465 0.000 2.314 468 E HA 0.535 4.885 4.350 -0.001 0.000 0.272 468 E C -0.867 175.911 176.600 0.297 0.000 0.884 468 E CA -1.095 55.477 56.400 0.285 0.000 0.753 468 E CB 3.015 32.742 29.700 0.045 0.000 1.213 468 E HN 0.120 nan 8.360 nan 0.000 0.432 469 K N 1.991 122.542 120.400 0.252 0.000 2.464 469 K HA 0.471 4.790 4.320 -0.001 0.000 0.253 469 K C -0.760 175.872 176.600 0.054 0.000 0.933 469 K CA -0.841 55.537 56.287 0.151 0.000 0.801 469 K CB 2.022 34.640 32.500 0.197 0.000 1.271 469 K HN 0.474 nan 8.250 nan 0.000 0.430 470 M N 1.683 121.281 119.600 -0.003 0.000 2.249 470 M HA 0.290 4.769 4.480 -0.001 0.000 0.351 470 M C 0.164 176.450 176.300 -0.022 0.000 1.180 470 M CA -0.137 55.134 55.300 -0.050 0.000 1.127 470 M CB 0.876 33.425 32.600 -0.085 0.000 1.546 470 M HN 0.338 nan 8.290 nan 0.000 0.461 471 E N 1.137 121.325 120.200 -0.020 0.000 2.277 471 E HA 0.314 4.663 4.350 -0.001 0.000 0.266 471 E C 0.439 176.992 176.600 -0.079 0.000 0.901 471 E CA -0.394 56.008 56.400 0.004 0.000 0.782 471 E CB 2.386 32.147 29.700 0.102 0.000 1.228 471 E HN 0.594 nan 8.360 nan 0.000 0.424 472 R N 1.513 121.906 120.500 -0.178 0.000 2.083 472 R HA -0.082 4.258 4.340 -0.001 0.000 0.237 472 R C 0.019 175.993 176.300 -0.543 0.000 1.137 472 R CA 1.526 57.354 56.100 -0.454 0.000 0.951 472 R CB 0.119 29.993 30.300 -0.709 0.000 0.851 472 R HN 0.233 nan 8.270 nan 0.000 0.434 473 F N -0.683 119.309 119.950 0.069 0.000 2.594 473 F HA 0.539 5.066 4.527 -0.000 0.000 0.335 473 F C 0.288 176.225 175.800 0.229 0.000 1.058 473 F CA -1.107 56.997 58.000 0.173 0.000 0.981 473 F CB 0.890 40.034 39.000 0.240 0.000 1.289 473 F HN 0.037 nan 8.300 nan 0.000 0.490 474 A N 0.363 123.533 122.820 0.582 0.000 2.531 474 A HA 0.355 4.674 4.320 -0.001 0.000 0.236 474 A C -0.280 177.576 177.584 0.453 0.000 1.062 474 A CA -0.301 52.025 52.037 0.481 0.000 0.760 474 A CB -0.223 19.171 19.000 0.658 0.000 0.995 474 A HN 0.535 nan 8.150 nan 0.000 0.501 475 V N 5.032 125.143 119.914 0.328 0.000 2.162 475 V HA -0.026 4.094 4.120 -0.001 0.000 0.255 475 V C 1.128 177.423 176.094 0.335 0.000 1.304 475 V CA -0.354 62.127 62.300 0.302 0.000 1.198 475 V CB -0.759 31.133 31.823 0.114 0.000 1.333 475 V HN 1.075 nan 8.190 nan 0.000 0.493 476 W N 3.151 124.577 121.300 0.210 0.000 2.350 476 W HA -0.105 4.555 4.660 -0.000 0.000 0.289 476 W C 1.609 178.301 176.519 0.288 0.000 1.215 476 W CA 1.614 59.094 57.345 0.225 0.000 1.236 476 W CB 0.236 29.825 29.460 0.215 0.000 1.130 476 W HN 0.643 nan 8.180 nan 0.000 0.541 477 G N -0.457 108.646 108.800 0.505 0.000 3.277 477 G HA2 0.391 4.350 3.960 -0.001 0.000 0.243 477 G HA3 0.391 4.350 3.960 -0.001 0.000 0.243 477 G C 0.371 175.559 174.900 0.480 0.000 1.107 477 G CA 0.396 45.797 45.100 0.500 0.000 0.771 477 G HN 0.421 nan 8.290 nan 0.000 0.544 478 G N -0.651 108.375 108.800 0.376 0.000 2.631 478 G HA2 0.350 4.310 3.960 -0.001 0.000 0.504 478 G HA3 0.350 4.310 3.960 -0.001 0.000 0.504 478 G C -0.177 174.964 174.900 0.400 0.000 1.306 478 G CA 0.063 45.382 45.100 0.365 0.000 0.897 478 G HN 1.403 nan 8.290 nan 0.000 0.520 479 T N -2.580 112.208 114.554 0.391 0.000 2.865 479 T HA 0.816 5.165 4.350 -0.001 0.000 0.294 479 T C -0.229 174.722 174.700 0.418 0.000 1.119 479 T CA 0.054 62.411 62.100 0.429 0.000 1.007 479 T CB 2.246 71.348 68.868 0.390 0.000 1.225 479 T HN 1.866 nan 8.240 nan 0.000 0.515 480 M N 1.300 121.155 119.600 0.424 0.000 2.378 480 M HA 0.691 5.171 4.480 -0.001 0.000 0.289 480 M C -2.102 174.414 176.300 0.362 0.000 1.136 480 M CA -0.760 54.775 55.300 0.392 0.000 0.917 480 M CB 1.957 34.772 32.600 0.358 0.000 1.669 480 M HN 1.143 nan 8.290 nan 0.000 0.461 481 A N 2.360 125.376 122.820 0.326 0.000 2.386 481 A HA 0.879 5.199 4.320 -0.001 0.000 0.311 481 A C -0.531 177.057 177.584 0.005 0.000 1.068 481 A CA -0.416 51.765 52.037 0.241 0.000 0.743 481 A CB 1.702 20.916 19.000 0.355 0.000 1.258 481 A HN 0.864 nan 8.150 nan 0.000 0.429 482 T N -1.867 112.650 114.554 -0.061 0.000 2.926 482 T HA 0.640 4.989 4.350 -0.001 0.000 0.289 482 T C 0.812 175.389 174.700 -0.206 0.000 1.054 482 T CA 0.079 61.958 62.100 -0.368 0.000 1.015 482 T CB 1.576 70.371 68.868 -0.122 0.000 1.167 482 T HN 1.541 nan 8.240 nan 0.000 0.526 483 A N -0.038 122.635 122.820 -0.245 0.000 2.239 483 A HA 0.350 4.669 4.320 -0.001 0.000 0.209 483 A C 1.930 179.554 177.584 0.066 0.000 1.171 483 A CA 0.725 52.828 52.037 0.109 0.000 0.768 483 A CB -1.172 17.902 19.000 0.124 0.000 0.790 483 A HN 1.133 nan 8.150 nan 0.000 0.478 484 G N -0.823 107.988 108.800 0.018 0.000 3.181 484 G HA2 0.299 4.259 3.960 -0.001 0.000 0.219 484 G HA3 0.299 4.259 3.960 -0.001 0.000 0.219 484 G C -0.003 174.907 174.900 0.017 0.000 1.182 484 G CA 0.503 45.611 45.100 0.014 0.000 0.791 484 G HN 0.413 nan 8.290 nan 0.000 0.537 485 D N -1.293 119.138 120.400 0.051 0.000 2.981 485 D HA -0.122 4.518 4.640 -0.001 0.000 0.223 485 D C -0.066 176.222 176.300 -0.021 0.000 1.151 485 D CA 0.631 54.658 54.000 0.045 0.000 0.827 485 D CB -1.217 39.599 40.800 0.027 0.000 1.101 485 D HN 0.189 nan 8.370 nan 0.000 0.426 486 L N -0.071 121.129 121.223 -0.038 0.000 2.333 486 L HA 0.666 5.006 4.340 -0.001 0.000 0.269 486 L C 0.147 176.935 176.870 -0.137 0.000 1.010 486 L CA -1.178 53.569 54.840 -0.155 0.000 0.818 486 L CB 2.232 44.139 42.059 -0.253 0.000 1.306 486 L HN -0.143 nan 8.230 nan 0.000 0.430 487 V N 2.545 122.325 119.914 -0.223 0.000 2.447 487 V HA 0.460 4.579 4.120 -0.001 0.000 0.292 487 V C -0.617 175.512 176.094 0.058 0.000 1.021 487 V CA -0.586 61.665 62.300 -0.082 0.000 0.850 487 V CB 1.285 32.979 31.823 -0.214 0.000 1.005 487 V HN 0.400 nan 8.190 nan 0.000 0.426 488 F N 4.819 124.865 119.950 0.159 0.000 2.440 488 F HA 0.868 5.395 4.527 -0.001 0.000 0.328 488 F C -0.084 175.929 175.800 0.356 0.000 1.070 488 F CA -0.640 57.467 58.000 0.177 0.000 1.011 488 F CB 1.620 40.673 39.000 0.088 0.000 1.226 488 F HN 0.624 nan 8.300 nan 0.000 0.491 489 Y N -1.281 119.242 120.300 0.371 0.000 2.638 489 Y HA 0.653 5.203 4.550 -0.001 0.000 0.334 489 Y C -0.851 175.223 175.900 0.291 0.000 1.182 489 Y CA -1.991 56.299 58.100 0.317 0.000 1.102 489 Y CB 0.516 39.150 38.460 0.291 0.000 1.343 489 Y HN 0.786 nan 8.280 nan 0.000 0.463 490 G N 0.755 109.805 108.800 0.416 0.000 2.410 490 G HA2 0.592 4.552 3.960 -0.001 0.000 0.330 490 G HA3 0.592 4.552 3.960 -0.001 0.000 0.330 490 G C -0.852 174.301 174.900 0.422 0.000 1.142 490 G CA -0.430 44.863 45.100 0.322 0.000 0.902 490 G HN 1.081 nan 8.290 nan 0.000 0.491 491 T N -0.673 114.093 114.554 0.352 0.000 2.908 491 T HA 0.415 4.764 4.350 -0.001 0.000 0.290 491 T C 1.391 176.291 174.700 0.332 0.000 1.034 491 T CA -0.855 61.481 62.100 0.393 0.000 1.010 491 T CB 1.644 70.744 68.868 0.388 0.000 1.068 491 T HN 0.190 nan 8.240 nan 0.000 0.481 492 L N 0.782 122.202 121.223 0.328 0.000 2.131 492 L HA -0.031 4.309 4.340 -0.001 0.000 0.210 492 L C 1.987 178.966 176.870 0.182 0.000 1.092 492 L CA 1.386 56.339 54.840 0.188 0.000 0.759 492 L CB -0.539 41.558 42.059 0.064 0.000 0.903 492 L HN 0.791 nan 8.230 nan 0.000 0.435 493 D N -0.325 120.291 120.400 0.360 0.000 2.349 493 D HA 0.041 4.680 4.640 -0.001 0.000 0.224 493 D C 1.180 177.617 176.300 0.229 0.000 1.029 493 D CA 0.750 54.968 54.000 0.364 0.000 0.879 493 D CB 0.009 41.075 40.800 0.444 0.000 0.906 493 D HN 0.240 nan 8.370 nan 0.000 0.528 494 G N -0.293 108.606 108.800 0.164 0.000 2.392 494 G HA2 -0.179 3.781 3.960 -0.001 0.000 0.215 494 G HA3 -0.179 3.781 3.960 -0.001 0.000 0.215 494 G C -0.844 173.848 174.900 -0.347 0.000 1.097 494 G CA -0.592 44.472 45.100 -0.059 0.000 0.840 494 G HN 0.303 nan 8.290 nan 0.000 0.492 495 Y N -1.632 118.702 120.300 0.057 0.000 2.536 495 Y HA 0.722 5.272 4.550 -0.000 0.000 0.347 495 Y C 0.065 175.964 175.900 -0.001 0.000 1.000 495 Y CA -1.370 56.719 58.100 -0.018 0.000 1.051 495 Y CB 2.093 40.499 38.460 -0.090 0.000 1.259 495 Y HN 0.301 nan 8.280 nan 0.000 0.468 496 L N 3.458 124.750 121.223 0.115 0.000 2.294 496 L HA 0.521 4.861 4.340 -0.001 0.000 0.283 496 L C -1.087 175.701 176.870 -0.137 0.000 1.015 496 L CA -0.577 54.284 54.840 0.035 0.000 0.831 496 L CB 0.357 42.457 42.059 0.068 0.000 1.217 496 L HN 0.517 nan 8.230 nan 0.000 0.420 497 K N 3.855 124.101 120.400 -0.258 0.000 2.156 497 K HA 0.904 5.223 4.320 -0.001 0.000 0.250 497 K C -1.051 175.414 176.600 -0.225 0.000 0.955 497 K CA -0.864 55.197 56.287 -0.377 0.000 0.855 497 K CB 1.986 34.039 32.500 -0.745 0.000 1.101 497 K HN 0.679 nan 8.250 nan 0.000 0.434 498 A N 2.544 125.293 122.820 -0.119 0.000 2.359 498 A HA 0.559 4.879 4.320 -0.001 0.000 0.303 498 A C -0.915 176.559 177.584 -0.184 0.000 1.066 498 A CA -0.775 51.080 52.037 -0.304 0.000 0.730 498 A CB 1.009 19.723 19.000 -0.476 0.000 1.211 498 A HN 0.723 nan 8.150 nan 0.000 0.439 499 R N 1.130 121.534 120.500 -0.160 0.000 2.803 499 R HA 0.361 4.701 4.340 -0.001 0.000 0.276 499 R C -1.043 175.136 176.300 -0.200 0.000 0.978 499 R CA -0.894 55.117 56.100 -0.149 0.000 0.939 499 R CB 1.818 32.065 30.300 -0.089 0.000 1.179 499 R HN 0.845 nan 8.270 nan 0.000 0.472 500 D N 0.673 120.933 120.400 -0.234 0.000 2.371 500 D HA -0.006 4.633 4.640 -0.001 0.000 0.256 500 D C 0.197 176.411 176.300 -0.143 0.000 1.193 500 D CA 0.381 54.272 54.000 -0.182 0.000 0.881 500 D CB 1.191 41.882 40.800 -0.182 0.000 1.143 500 D HN 0.403 nan 8.370 nan 0.000 0.473 501 S N 3.241 118.940 115.700 -0.002 0.000 2.402 501 S HA -0.160 4.310 4.470 -0.001 0.000 0.233 501 S C 1.127 176.042 174.600 0.525 0.000 1.030 501 S CA 0.927 59.268 58.200 0.235 0.000 1.003 501 S CB 0.132 63.459 63.200 0.212 0.000 0.813 501 S HN 0.600 nan 8.310 nan 0.000 0.477 502 D N 0.473 121.016 120.400 0.239 0.000 2.201 502 D HA -0.005 4.635 4.640 -0.001 0.000 0.209 502 D C 2.290 178.657 176.300 0.113 0.000 0.961 502 D CA 1.707 55.856 54.000 0.248 0.000 0.861 502 D CB -0.360 40.514 40.800 0.124 0.000 0.997 502 D HN 0.584 nan 8.370 nan 0.000 0.486 503 T N -3.139 111.300 114.554 -0.191 0.000 3.037 503 T HA 0.311 4.661 4.350 -0.001 0.000 0.252 503 T C 1.694 175.866 174.700 -0.881 0.000 1.073 503 T CA 0.899 62.796 62.100 -0.338 0.000 1.091 503 T CB 0.738 69.486 68.868 -0.199 0.000 0.935 503 T HN 0.188 nan 8.240 nan 0.000 0.488 504 G N 1.746 109.732 108.800 -1.358 0.000 2.143 504 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.249 504 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.249 504 G C -0.504 173.932 174.900 -0.773 0.000 0.981 504 G CA -0.024 43.925 45.100 -1.919 0.000 0.665 504 G HN 0.595 nan 8.290 nan 0.000 0.528 505 D N -0.067 120.048 120.400 -0.476 0.000 2.389 505 D HA 0.372 5.011 4.640 -0.001 0.000 0.247 505 D C 0.692 176.870 176.300 -0.204 0.000 1.128 505 D CA -0.372 53.471 54.000 -0.262 0.000 0.884 505 D CB 1.383 42.072 40.800 -0.184 0.000 1.194 505 D HN 0.206 nan 8.370 nan 0.000 0.441 506 L N 3.225 124.364 121.223 -0.139 0.000 2.385 506 L HA 0.079 4.419 4.340 -0.001 0.000 0.281 506 L C 0.490 177.314 176.870 -0.077 0.000 1.106 506 L CA 0.377 55.157 54.840 -0.101 0.000 0.856 506 L CB 0.041 42.044 42.059 -0.093 0.000 1.186 506 L HN 0.441 nan 8.230 nan 0.000 0.453 507 L N 4.519 125.710 121.223 -0.055 0.000 2.408 507 L HA 0.255 4.595 4.340 -0.001 0.000 0.215 507 L C -0.166 176.780 176.870 0.127 0.000 1.081 507 L CA -0.106 54.732 54.840 -0.002 0.000 0.840 507 L CB -0.008 42.028 42.059 -0.039 0.000 1.002 507 L HN 0.691 nan 8.230 nan 0.000 0.468 508 W N 1.178 122.394 121.300 -0.141 0.000 3.298 508 W HA 0.427 5.087 4.660 -0.001 0.000 0.302 508 W C -1.814 174.647 176.519 -0.097 0.000 1.255 508 W CA -1.095 56.193 57.345 -0.095 0.000 1.196 508 W CB 1.034 30.440 29.460 -0.090 0.000 1.364 508 W HN -0.149 nan 8.180 nan 0.000 0.566 509 K N 3.398 123.123 120.400 -1.125 0.000 2.575 509 K HA 0.744 5.064 4.320 -0.001 0.000 0.279 509 K C -2.452 173.445 176.600 -1.172 0.000 0.969 509 K CA -0.812 54.794 56.287 -1.136 0.000 0.868 509 K CB 2.566 34.773 32.500 -0.490 0.000 1.457 509 K HN 0.457 nan 8.250 nan 0.000 0.426 510 F N 1.162 120.585 119.950 -0.879 0.000 2.576 510 F HA 0.469 4.996 4.527 -0.001 0.000 0.313 510 F C -1.135 174.601 175.800 -0.106 0.000 1.078 510 F CA -0.773 57.008 58.000 -0.365 0.000 0.921 510 F CB 2.364 41.313 39.000 -0.085 0.000 1.232 510 F HN 0.622 nan 8.300 nan 0.000 0.459 511 K N 6.934 126.783 120.400 -0.919 0.000 2.250 511 K HA 0.374 4.694 4.320 -0.001 0.000 0.285 511 K C -0.645 175.683 176.600 -0.453 0.000 1.097 511 K CA -0.316 55.525 56.287 -0.744 0.000 0.913 511 K CB -0.549 31.546 32.500 -0.675 0.000 1.179 511 K HN 0.576 nan 8.250 nan 0.000 0.462 512 I N 1.675 122.153 120.570 -0.153 0.000 2.886 512 I HA 0.393 4.562 4.170 -0.001 0.000 0.299 512 I C -1.537 174.449 176.117 -0.219 0.000 1.044 512 I CA -2.385 58.914 61.300 -0.002 0.000 1.310 512 I CB 0.709 38.808 38.000 0.165 0.000 1.441 512 I HN 0.350 nan 8.210 nan 0.000 0.578 513 P HA -0.126 nan 4.420 nan 0.000 0.216 513 P C 0.334 177.473 177.300 -0.268 0.000 1.153 513 P CA 1.272 64.096 63.100 -0.461 0.000 0.858 513 P CB 0.148 31.271 31.700 -0.960 0.000 0.789 514 S N -2.843 112.763 115.700 -0.156 0.000 2.638 514 S HA 0.626 5.096 4.470 -0.001 0.000 0.274 514 S C -0.155 174.487 174.600 0.070 0.000 1.157 514 S CA -0.566 57.631 58.200 -0.004 0.000 0.826 514 S CB 0.749 63.994 63.200 0.076 0.000 1.139 514 S HN 0.094 nan 8.310 nan 0.000 0.474 515 G N 0.776 109.619 108.800 0.072 0.000 2.562 515 G HA2 0.477 4.436 3.960 -0.001 0.000 0.233 515 G HA3 0.477 4.436 3.960 -0.001 0.000 0.233 515 G C -0.085 174.920 174.900 0.175 0.000 1.266 515 G CA 0.237 45.405 45.100 0.112 0.000 0.852 515 G HN 1.101 nan 8.290 nan 0.000 0.581 516 A N 1.180 124.136 122.820 0.226 0.000 2.287 516 A HA 0.597 4.917 4.320 -0.001 0.000 0.317 516 A C 0.615 178.397 177.584 0.329 0.000 1.220 516 A CA -0.739 51.468 52.037 0.284 0.000 0.835 516 A CB 0.722 19.903 19.000 0.302 0.000 1.180 516 A HN 1.202 nan 8.150 nan 0.000 0.500 517 I N 0.469 121.253 120.570 0.357 0.000 3.947 517 I HA 0.518 4.687 4.170 -0.001 0.000 0.327 517 I C 0.483 176.908 176.117 0.513 0.000 1.519 517 I CA -0.270 61.307 61.300 0.462 0.000 1.122 517 I CB 0.412 38.672 38.000 0.434 0.000 1.146 517 I HN 0.487 nan 8.210 nan 0.000 0.442 518 G N 0.917 109.989 108.800 0.453 0.000 3.013 518 G HA2 0.578 4.538 3.960 -0.001 0.000 0.278 518 G HA3 0.578 4.538 3.960 -0.001 0.000 0.278 518 G C -1.407 173.734 174.900 0.402 0.000 1.353 518 G CA -0.733 44.632 45.100 0.443 0.000 1.043 518 G HN 0.330 nan 8.290 nan 0.000 0.523 519 Y N -1.638 118.845 120.300 0.304 0.000 2.453 519 Y HA 0.774 5.324 4.550 -0.000 0.000 0.326 519 Y C -2.664 173.295 175.900 0.099 0.000 1.186 519 Y CA -3.287 54.948 58.100 0.225 0.000 1.200 519 Y CB 0.824 39.400 38.460 0.194 0.000 1.247 519 Y HN 0.257 nan 8.280 nan 0.000 0.482 520 P HA 0.383 nan 4.420 nan 0.000 0.279 520 P C -1.092 176.155 177.300 -0.089 0.000 1.252 520 P CA -0.472 62.641 63.100 0.021 0.000 0.811 520 P CB 1.105 32.850 31.700 0.075 0.000 1.035 521 M N -1.258 118.109 119.600 -0.389 0.000 2.575 521 M HA 0.782 5.262 4.480 -0.001 0.000 0.284 521 M C -0.741 175.278 176.300 -0.468 0.000 1.253 521 M CA -0.439 54.344 55.300 -0.863 0.000 0.861 521 M CB 1.740 33.373 32.600 -1.611 0.000 1.733 521 M HN 0.118 nan 8.290 nan 0.000 0.462 522 T N 0.953 115.367 114.554 -0.234 0.000 2.903 522 T HA 0.889 5.239 4.350 -0.001 0.000 0.299 522 T C -2.063 172.805 174.700 0.279 0.000 1.093 522 T CA -0.396 61.688 62.100 -0.026 0.000 1.002 522 T CB 1.127 69.941 68.868 -0.091 0.000 1.127 522 T HN 1.076 nan 8.240 nan 0.000 0.488 523 Y N -0.617 119.753 120.300 0.117 0.000 2.689 523 Y HA 0.736 5.286 4.550 -0.001 0.000 0.333 523 Y C -0.701 175.316 175.900 0.195 0.000 1.208 523 Y CA -1.155 57.051 58.100 0.177 0.000 1.055 523 Y CB 0.740 39.307 38.460 0.177 0.000 1.304 523 Y HN 0.681 nan 8.280 nan 0.000 0.455 524 T N -0.996 113.746 114.554 0.315 0.000 2.856 524 T HA 0.594 4.944 4.350 -0.001 0.000 0.283 524 T C -1.657 173.303 174.700 0.434 0.000 1.008 524 T CA -0.502 61.741 62.100 0.238 0.000 0.997 524 T CB 1.598 70.536 68.868 0.117 0.000 0.992 524 T HN 1.053 nan 8.240 nan 0.000 0.454 525 H N 0.924 120.193 119.070 0.333 0.000 3.108 525 H HA 0.379 4.935 4.556 -0.000 0.000 0.329 525 H C -0.457 174.997 175.328 0.210 0.000 0.978 525 H CA -0.584 55.641 56.048 0.296 0.000 1.413 525 H CB 0.629 30.606 29.762 0.358 0.000 1.670 525 H HN 0.869 nan 8.280 nan 0.000 0.512 526 K N 4.036 124.341 120.400 -0.158 0.000 3.125 526 K HA -0.232 4.087 4.320 -0.001 0.000 0.268 526 K C 0.922 177.526 176.600 0.005 0.000 1.078 526 K CA 0.914 57.141 56.287 -0.099 0.000 0.775 526 K CB -1.500 30.953 32.500 -0.078 0.000 1.253 526 K HN 1.196 nan 8.250 nan 0.000 0.486 527 G N -1.273 107.533 108.800 0.010 0.000 2.304 527 G HA2 -0.336 3.623 3.960 -0.001 0.000 0.252 527 G HA3 -0.336 3.623 3.960 -0.001 0.000 0.252 527 G C 0.281 175.165 174.900 -0.026 0.000 1.014 527 G CA 0.677 45.775 45.100 -0.003 0.000 0.619 527 G HN 0.363 nan 8.290 nan 0.000 0.525 528 T N 1.343 115.887 114.554 -0.017 0.000 2.856 528 T HA 0.525 4.875 4.350 -0.001 0.000 0.292 528 T C 0.155 174.667 174.700 -0.313 0.000 0.980 528 T CA 0.214 62.197 62.100 -0.196 0.000 1.091 528 T CB 1.761 70.460 68.868 -0.281 0.000 0.936 528 T HN 0.543 nan 8.240 nan 0.000 0.503 529 Q N 2.450 121.999 119.800 -0.419 0.000 2.257 529 Q HA 0.404 4.744 4.340 -0.001 0.000 0.255 529 Q C -1.607 174.003 176.000 -0.651 0.000 0.920 529 Q CA -0.566 55.006 55.803 -0.385 0.000 0.927 529 Q CB 0.599 29.192 28.738 -0.242 0.000 1.229 529 Q HN 0.655 nan 8.270 nan 0.000 0.433 530 Y N 1.237 121.250 120.300 -0.478 0.000 2.562 530 Y HA 0.610 5.160 4.550 -0.000 0.000 0.343 530 Y C -0.588 174.988 175.900 -0.540 0.000 1.025 530 Y CA -0.993 56.784 58.100 -0.538 0.000 1.082 530 Y CB 2.174 40.188 38.460 -0.744 0.000 1.264 530 Y HN 0.328 nan 8.280 nan 0.000 0.478 531 V N 1.916 121.706 119.914 -0.207 0.000 2.483 531 V HA 0.825 4.945 4.120 -0.001 0.000 0.297 531 V C -0.523 175.523 176.094 -0.081 0.000 1.027 531 V CA -0.806 61.336 62.300 -0.264 0.000 0.855 531 V CB 1.138 32.681 31.823 -0.467 0.000 0.995 531 V HN 0.886 nan 8.190 nan 0.000 0.424 532 A N 5.339 128.080 122.820 -0.131 0.000 2.356 532 A HA 1.005 5.325 4.320 -0.001 0.000 0.323 532 A C -0.979 176.514 177.584 -0.151 0.000 1.119 532 A CA -0.721 51.243 52.037 -0.120 0.000 0.790 532 A CB 1.701 20.594 19.000 -0.178 0.000 1.273 532 A HN 0.912 nan 8.150 nan 0.000 0.452 533 I N 0.024 120.538 120.570 -0.093 0.000 2.787 533 I HA 0.427 4.596 4.170 -0.001 0.000 0.294 533 I C -1.709 174.411 176.117 0.005 0.000 1.365 533 I CA -0.659 60.601 61.300 -0.066 0.000 1.029 533 I CB 1.490 39.560 38.000 0.117 0.000 1.313 533 I HN 0.692 nan 8.210 nan 0.000 0.431 534 Y N 5.406 125.729 120.300 0.039 0.000 2.300 534 Y HA 0.402 4.952 4.550 -0.000 0.000 0.328 534 Y C -0.305 175.658 175.900 0.104 0.000 1.270 534 Y CA -0.032 58.069 58.100 0.002 0.000 1.352 534 Y CB 0.723 39.191 38.460 0.012 0.000 1.286 534 Y HN 0.390 nan 8.280 nan 0.000 0.536 535 Y N -1.845 118.581 120.300 0.209 0.000 2.512 535 Y HA 0.840 5.390 4.550 -0.001 0.000 0.348 535 Y C -0.217 175.639 175.900 -0.073 0.000 0.990 535 Y CA -2.391 55.758 58.100 0.082 0.000 1.033 535 Y CB 1.906 40.393 38.460 0.045 0.000 1.259 535 Y HN 0.755 nan 8.280 nan 0.000 0.461 536 G N 1.524 110.417 108.800 0.156 0.000 2.492 536 G HA2 0.184 4.144 3.960 -0.001 0.000 0.283 536 G HA3 0.184 4.144 3.960 -0.001 0.000 0.283 536 G C -1.580 173.369 174.900 0.081 0.000 1.274 536 G CA -0.541 44.546 45.100 -0.023 0.000 1.215 536 G HN 1.045 nan 8.290 nan 0.000 0.598 537 V N 2.103 122.057 119.914 0.068 0.000 2.963 537 V HA 0.825 4.944 4.120 -0.001 0.000 0.306 537 V C 1.126 177.241 176.094 0.036 0.000 1.077 537 V CA 2.359 64.685 62.300 0.044 0.000 1.124 537 V CB 1.384 33.200 31.823 -0.012 0.000 0.987 537 V HN 2.333 nan 8.190 nan 0.000 0.487 538 G N 2.809 111.616 108.800 0.012 0.000 2.512 538 G HA2 0.599 4.558 3.960 -0.001 0.000 0.181 538 G HA3 0.599 4.558 3.960 -0.001 0.000 0.181 538 G C 0.201 175.115 174.900 0.022 0.000 1.173 538 G CA 0.180 45.302 45.100 0.036 0.000 0.988 538 G HN 2.156 nan 8.290 nan 0.000 0.485 539 G N -1.652 107.231 108.800 0.138 0.000 2.752 539 G HA2 -0.073 3.887 3.960 -0.001 0.000 0.234 539 G HA3 -0.073 3.887 3.960 -0.001 0.000 0.234 539 G C 0.837 175.839 174.900 0.170 0.000 1.367 539 G CA 0.854 46.078 45.100 0.206 0.000 0.879 539 G HN 1.771 nan 8.290 nan 0.000 0.563 540 W N 2.202 123.504 121.300 0.003 0.000 2.335 540 W HA -0.032 4.628 4.660 -0.001 0.000 0.311 540 W C 0.545 176.864 176.519 -0.334 0.000 1.213 540 W CA 3.235 60.545 57.345 -0.057 0.000 1.274 540 W CB -1.544 28.016 29.460 0.167 0.000 1.148 540 W HN 0.545 nan 8.180 nan 0.000 0.498 541 P HA -0.071 nan 4.420 nan 0.000 0.220 541 P C 1.421 178.228 177.300 -0.821 0.000 1.148 541 P CA 2.433 64.739 63.100 -1.324 0.000 0.803 541 P CB -0.489 29.977 31.700 -2.057 0.000 0.782 542 G N -0.470 108.071 108.800 -0.431 0.000 3.088 542 G HA2 0.058 4.018 3.960 -0.001 0.000 0.217 542 G HA3 0.058 4.018 3.960 -0.001 0.000 0.217 542 G C 1.484 176.382 174.900 -0.003 0.000 1.159 542 G CA -0.118 44.856 45.100 -0.210 0.000 0.760 542 G HN 0.071 nan 8.290 nan 0.000 0.550 543 V N 1.694 121.666 119.914 0.096 0.000 2.278 543 V HA -0.209 3.911 4.120 -0.001 0.000 0.251 543 V C 3.081 179.350 176.094 0.293 0.000 1.062 543 V CA 2.580 65.060 62.300 0.300 0.000 1.038 543 V CB -0.750 31.233 31.823 0.266 0.000 0.646 543 V HN 0.414 nan 8.190 nan 0.000 0.447 544 G N -0.871 108.019 108.800 0.151 0.000 2.440 544 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.218 544 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.218 544 G C 1.537 176.497 174.900 0.099 0.000 1.154 544 G CA 1.142 46.317 45.100 0.124 0.000 0.767 544 G HN 0.457 nan 8.290 nan 0.000 0.552 545 L N 0.600 121.855 121.223 0.054 0.000 2.109 545 L HA 0.104 4.444 4.340 -0.001 0.000 0.207 545 L C 2.842 179.704 176.870 -0.014 0.000 1.086 545 L CA 1.209 56.056 54.840 0.011 0.000 0.760 545 L CB -0.320 41.724 42.059 -0.024 0.000 0.910 545 L HN 0.082 nan 8.230 nan 0.000 0.437 546 V N -0.922 118.979 119.914 -0.021 0.000 2.323 546 V HA -0.189 3.931 4.120 -0.001 0.000 0.244 546 V C 1.697 177.568 176.094 -0.372 0.000 1.041 546 V CA 1.692 63.856 62.300 -0.226 0.000 1.025 546 V CB -0.579 31.033 31.823 -0.351 0.000 0.656 546 V HN 0.335 nan 8.190 nan 0.000 0.451 547 F N -0.397 119.557 119.950 0.007 0.000 2.660 547 F HA 0.341 4.868 4.527 -0.001 0.000 0.302 547 F C 0.884 176.685 175.800 0.000 0.000 1.103 547 F CA -0.360 57.642 58.000 0.004 0.000 1.340 547 F CB -0.452 38.549 39.000 0.001 0.000 1.048 547 F HN 0.107 nan 8.300 nan 0.000 0.551 548 D N 2.244 122.711 120.400 0.112 0.000 2.812 548 D HA -0.202 4.437 4.640 -0.001 0.000 0.237 548 D C -0.639 175.709 176.300 0.080 0.000 1.162 548 D CA 0.481 54.523 54.000 0.069 0.000 0.740 548 D CB -0.682 40.141 40.800 0.038 0.000 1.000 548 D HN 0.244 nan 8.370 nan 0.000 0.416 549 L N -0.047 121.230 121.223 0.091 0.000 2.331 549 L HA 0.673 5.013 4.340 -0.001 0.000 0.275 549 L C 1.408 178.303 176.870 0.042 0.000 1.022 549 L CA -0.253 54.626 54.840 0.064 0.000 0.812 549 L CB 1.666 43.767 42.059 0.069 0.000 1.257 549 L HN 0.120 nan 8.230 nan 0.000 0.435 550 A N 0.374 123.208 122.820 0.024 0.000 2.026 550 A HA 0.048 4.368 4.320 -0.001 0.000 0.198 550 A C 0.563 178.150 177.584 0.005 0.000 1.390 550 A CA 0.017 52.061 52.037 0.012 0.000 0.915 550 A CB 0.092 19.095 19.000 0.005 0.000 0.974 550 A HN 0.716 nan 8.150 nan 0.000 0.477 551 D N 1.781 122.184 120.400 0.005 0.000 2.426 551 D HA 0.050 4.690 4.640 -0.001 0.000 0.261 551 D C -1.229 175.079 176.300 0.012 0.000 1.245 551 D CA -1.494 52.507 54.000 0.002 0.000 0.917 551 D CB 1.020 41.817 40.800 -0.004 0.000 1.123 551 D HN 0.157 nan 8.370 nan 0.000 0.508 552 P HA -0.173 nan 4.420 nan 0.000 0.220 552 P C 0.836 178.167 177.300 0.052 0.000 1.144 552 P CA 1.256 64.369 63.100 0.022 0.000 0.800 552 P CB -0.072 31.633 31.700 0.009 0.000 0.772 553 T N -4.243 110.336 114.554 0.042 0.000 3.086 553 T HA 0.477 4.827 4.350 -0.001 0.000 0.250 553 T C 1.012 175.735 174.700 0.038 0.000 1.074 553 T CA -0.169 61.961 62.100 0.050 0.000 0.988 553 T CB -0.266 68.622 68.868 0.033 0.000 0.988 553 T HN 0.076 nan 8.240 nan 0.000 0.530 554 A N 0.858 123.695 122.820 0.028 0.000 2.327 554 A HA 0.599 4.919 4.320 -0.001 0.000 0.255 554 A C 1.545 179.160 177.584 0.052 0.000 1.099 554 A CA 0.012 52.054 52.037 0.009 0.000 0.801 554 A CB -0.996 18.005 19.000 0.002 0.000 1.062 554 A HN 1.382 nan 8.150 nan 0.000 0.496 555 G N -1.088 107.722 108.800 0.017 0.000 2.338 555 G HA2 0.080 4.040 3.960 -0.001 0.000 0.296 555 G HA3 0.080 4.040 3.960 -0.001 0.000 0.296 555 G C 0.216 175.301 174.900 0.309 0.000 1.040 555 G CA 0.262 45.428 45.100 0.111 0.000 1.004 555 G HN 1.788 nan 8.290 nan 0.000 0.509 556 L N -2.492 118.820 121.223 0.148 0.000 3.781 556 L HA -0.172 4.168 4.340 -0.001 0.000 0.426 556 L C 2.165 179.273 176.870 0.396 0.000 1.197 556 L CA 2.345 57.327 54.840 0.237 0.000 0.907 556 L CB -1.647 40.616 42.059 0.340 0.000 1.812 556 L HN 2.233 nan 8.230 nan 0.000 0.956 557 G N -2.625 106.311 108.800 0.226 0.000 2.253 557 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.251 557 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.251 557 G C 1.138 176.117 174.900 0.132 0.000 0.998 557 G CA 0.855 46.062 45.100 0.179 0.000 0.621 557 G HN 1.223 nan 8.290 nan 0.000 0.524 558 A N 0.213 123.104 122.820 0.117 0.000 1.933 558 A HA 0.247 4.566 4.320 -0.001 0.000 0.218 558 A C 2.611 180.270 177.584 0.125 0.000 1.175 558 A CA 2.643 54.657 52.037 -0.038 0.000 0.628 558 A CB -0.588 18.186 19.000 -0.376 0.000 0.814 558 A HN 1.151 nan 8.150 nan 0.000 0.444 559 V N 0.026 120.013 119.914 0.122 0.000 2.250 559 V HA -0.319 3.800 4.120 -0.001 0.000 0.250 559 V C 2.830 178.979 176.094 0.091 0.000 1.060 559 V CA 2.345 64.711 62.300 0.110 0.000 1.030 559 V CB -1.535 30.334 31.823 0.078 0.000 0.643 559 V HN 0.627 nan 8.190 nan 0.000 0.445 560 G N -0.850 107.990 108.800 0.066 0.000 2.440 560 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.218 560 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.218 560 G C 1.759 176.670 174.900 0.019 0.000 1.154 560 G CA 1.115 46.220 45.100 0.008 0.000 0.767 560 G HN 0.678 nan 8.290 nan 0.000 0.552 561 A N 0.021 122.907 122.820 0.109 0.000 1.978 561 A HA 0.145 4.464 4.320 -0.001 0.000 0.220 561 A C 1.537 178.996 177.584 -0.209 0.000 1.170 561 A CA 1.000 53.054 52.037 0.029 0.000 0.636 561 A CB -0.356 18.547 19.000 -0.162 0.000 0.810 561 A HN 0.350 nan 8.150 nan 0.000 0.448 562 F N -0.296 119.702 119.950 0.080 0.000 2.850 562 F HA 0.195 4.721 4.527 -0.001 0.000 0.306 562 F C 1.639 177.458 175.800 0.031 0.000 1.162 562 F CA -0.064 57.965 58.000 0.048 0.000 1.327 562 F CB 0.299 39.232 39.000 -0.112 0.000 0.953 562 F HN 0.306 nan 8.300 nan 0.000 0.507 563 K N 0.067 120.534 120.400 0.110 0.000 2.211 563 K HA -0.150 4.170 4.320 -0.001 0.000 0.204 563 K C 1.244 177.914 176.600 0.116 0.000 1.047 563 K CA 1.336 57.651 56.287 0.046 0.000 0.935 563 K CB -0.054 32.379 32.500 -0.111 0.000 0.728 563 K HN 0.070 nan 8.250 nan 0.000 0.452 564 K N 0.692 121.237 120.400 0.241 0.000 2.426 564 K HA 0.034 4.353 4.320 -0.001 0.000 0.193 564 K C 1.787 178.677 176.600 0.483 0.000 1.028 564 K CA 0.117 56.621 56.287 0.363 0.000 1.047 564 K CB -0.036 32.758 32.500 0.490 0.000 0.821 564 K HN 0.142 nan 8.250 nan 0.000 0.513 565 L N 1.634 123.010 121.223 0.256 0.000 2.079 565 L HA -0.109 4.231 4.340 -0.001 0.000 0.210 565 L C 1.908 178.857 176.870 0.132 0.000 1.081 565 L CA 1.667 56.500 54.840 -0.013 0.000 0.752 565 L CB -0.618 41.294 42.059 -0.245 0.000 0.896 565 L HN 0.140 nan 8.230 nan 0.000 0.433 566 A N -1.261 121.616 122.820 0.095 0.000 2.239 566 A HA -0.101 4.219 4.320 -0.001 0.000 0.209 566 A C 1.725 179.321 177.584 0.020 0.000 1.171 566 A CA 1.276 53.341 52.037 0.048 0.000 0.768 566 A CB -0.971 18.043 19.000 0.022 0.000 0.790 566 A HN 0.737 nan 8.150 nan 0.000 0.478 567 N N -2.209 116.497 118.700 0.009 0.000 2.280 567 N HA 0.109 4.849 4.740 -0.001 0.000 0.192 567 N C 0.226 175.478 175.510 -0.431 0.000 1.109 567 N CA 0.396 53.301 53.050 -0.242 0.000 0.855 567 N CB 0.193 38.447 38.487 -0.387 0.000 0.974 567 N HN 0.620 nan 8.380 nan 0.000 0.482 568 Y N -0.833 119.540 120.300 0.120 0.000 2.423 568 Y HA 0.294 4.844 4.550 -0.000 0.000 0.257 568 Y C 0.702 176.636 175.900 0.056 0.000 1.087 568 Y CA -0.051 58.130 58.100 0.134 0.000 1.258 568 Y CB 1.247 39.880 38.460 0.290 0.000 1.237 568 Y HN -0.190 nan 8.280 nan 0.000 0.517 569 T N -0.402 114.242 114.554 0.151 0.000 2.802 569 T HA 0.478 4.828 4.350 -0.001 0.000 0.311 569 T C -1.788 172.920 174.700 0.013 0.000 1.405 569 T CA -0.608 61.526 62.100 0.057 0.000 1.016 569 T CB 1.654 70.558 68.868 0.060 0.000 1.352 569 T HN -0.152 nan 8.240 nan 0.000 0.498 570 Q N 1.056 120.849 119.800 -0.010 0.000 2.605 570 Q HA 0.517 4.857 4.340 -0.001 0.000 0.296 570 Q C -0.405 175.582 176.000 -0.021 0.000 1.056 570 Q CA -0.916 54.874 55.803 -0.021 0.000 0.778 570 Q CB 2.021 30.741 28.738 -0.029 0.000 1.497 570 Q HN 0.726 nan 8.270 nan 0.000 0.443 571 M N 0.077 119.661 119.600 -0.027 0.000 2.207 571 M HA 0.466 4.946 4.480 -0.001 0.000 0.311 571 M C 0.618 176.911 176.300 -0.011 0.000 1.127 571 M CA 0.564 55.851 55.300 -0.023 0.000 1.181 571 M CB 0.328 32.905 32.600 -0.038 0.000 1.409 571 M HN 0.804 nan 8.290 nan 0.000 0.461 572 G N -0.731 108.063 108.800 -0.010 0.000 2.488 572 G HA2 0.646 4.606 3.960 -0.001 0.000 0.301 572 G HA3 0.646 4.606 3.960 -0.001 0.000 0.301 572 G C -1.539 173.246 174.900 -0.192 0.000 1.339 572 G CA -0.223 44.895 45.100 0.031 0.000 0.803 572 G HN 0.957 nan 8.290 nan 0.000 0.482 573 G N -1.167 107.456 108.800 -0.294 0.000 1.985 573 G HA2 0.792 4.752 3.960 -0.001 0.000 0.303 573 G HA3 0.792 4.752 3.960 -0.001 0.000 0.303 573 G C -0.205 174.140 174.900 -0.924 0.000 1.730 573 G CA 0.810 45.268 45.100 -1.070 0.000 1.057 573 G HN 2.014 nan 8.290 nan 0.000 0.515 574 G N -0.840 107.111 108.800 -1.416 0.000 2.341 574 G HA2 0.688 4.647 3.960 -0.001 0.000 0.299 574 G HA3 0.688 4.647 3.960 -0.001 0.000 0.299 574 G C -1.774 172.719 174.900 -0.677 0.000 1.274 574 G CA 0.142 44.628 45.100 -1.024 0.000 0.853 574 G HN 1.284 nan 8.290 nan 0.000 0.493 575 V N -0.423 119.417 119.914 -0.123 0.000 2.735 575 V HA 0.754 4.874 4.120 -0.001 0.000 0.310 575 V C -0.388 175.738 176.094 0.054 0.000 1.061 575 V CA -0.784 61.545 62.300 0.049 0.000 0.913 575 V CB 1.655 33.502 31.823 0.041 0.000 1.005 575 V HN 0.732 nan 8.190 nan 0.000 0.428 576 V N 4.154 124.070 119.914 0.002 0.000 2.540 576 V HA 0.564 4.684 4.120 -0.001 0.000 0.302 576 V C -0.472 175.378 176.094 -0.407 0.000 1.035 576 V CA -0.591 61.588 62.300 -0.202 0.000 0.873 576 V CB 2.098 33.860 31.823 -0.102 0.000 0.992 576 V HN 0.632 nan 8.190 nan 0.000 0.428 577 V N 5.301 124.775 119.914 -0.733 0.000 2.448 577 V HA 0.567 4.687 4.120 -0.001 0.000 0.295 577 V C -0.723 175.059 176.094 -0.519 0.000 1.025 577 V CA -0.472 61.445 62.300 -0.639 0.000 0.859 577 V CB 1.442 32.566 31.823 -1.164 0.000 0.988 577 V HN 0.654 nan 8.190 nan 0.000 0.431 578 F N 2.458 122.282 119.950 -0.211 0.000 2.470 578 F HA 0.812 5.339 4.527 -0.000 0.000 0.329 578 F C 0.562 176.272 175.800 -0.149 0.000 1.072 578 F CA -0.443 57.456 58.000 -0.168 0.000 0.989 578 F CB 2.181 41.081 39.000 -0.167 0.000 1.193 578 F HN 0.544 nan 8.300 nan 0.000 0.481 579 S N 1.324 117.033 115.700 0.014 0.000 2.570 579 S HA 0.606 5.076 4.470 -0.001 0.000 0.270 579 S C -1.448 173.062 174.600 -0.149 0.000 1.149 579 S CA -0.951 57.135 58.200 -0.190 0.000 0.837 579 S CB 1.322 64.333 63.200 -0.314 0.000 1.124 579 S HN 0.450 nan 8.310 nan 0.000 0.465 580 L N 2.932 124.035 121.223 -0.200 0.000 2.584 580 L HA 0.220 4.560 4.340 -0.001 0.000 0.272 580 L C 0.588 177.405 176.870 -0.088 0.000 1.195 580 L CA 1.608 56.361 54.840 -0.144 0.000 0.920 580 L CB -1.126 40.845 42.059 -0.147 0.000 1.173 580 L HN 0.891 nan 8.230 nan 0.000 0.489 581 D N 3.156 123.528 120.400 -0.048 0.000 3.079 581 D HA -0.227 4.413 4.640 -0.001 0.000 0.214 581 D C 1.155 177.460 176.300 0.007 0.000 1.145 581 D CA 1.214 55.208 54.000 -0.009 0.000 0.958 581 D CB -1.117 39.676 40.800 -0.012 0.000 1.117 581 D HN 1.100 nan 8.370 nan 0.000 0.416 582 G N 0.821 109.620 108.800 -0.000 0.000 2.155 582 G HA2 -0.398 3.562 3.960 -0.001 0.000 0.257 582 G HA3 -0.398 3.562 3.960 -0.001 0.000 0.257 582 G C 0.303 175.237 174.900 0.057 0.000 0.983 582 G CA 0.913 46.027 45.100 0.024 0.000 0.676 582 G HN 0.593 nan 8.290 nan 0.000 0.528 583 K N 0.489 120.904 120.400 0.025 0.000 2.524 583 K HA 0.443 4.763 4.320 -0.001 0.000 0.279 583 K C 0.891 177.578 176.600 0.145 0.000 0.993 583 K CA 0.989 57.303 56.287 0.046 0.000 1.030 583 K CB -0.069 32.419 32.500 -0.021 0.000 0.891 583 K HN 0.859 nan 8.250 nan 0.000 0.488 584 G N 3.427 112.328 108.800 0.169 0.000 2.489 584 G HA2 0.225 4.184 3.960 -0.001 0.000 0.305 584 G HA3 0.225 4.184 3.960 -0.001 0.000 0.305 584 G C -2.550 172.384 174.900 0.057 0.000 1.311 584 G CA -0.946 44.299 45.100 0.242 0.000 0.813 584 G HN 0.380 nan 8.290 nan 0.000 0.480 585 P HA -0.093 nan 4.420 nan 0.000 0.216 585 P C 0.525 177.565 177.300 -0.433 0.000 1.154 585 P CA 1.327 64.175 63.100 -0.420 0.000 0.865 585 P CB -0.011 31.169 31.700 -0.867 0.000 0.789 586 Y N -0.975 119.321 120.300 -0.008 0.000 2.537 586 Y HA 0.067 4.617 4.550 -0.000 0.000 0.303 586 Y C 1.500 177.413 175.900 0.022 0.000 1.176 586 Y CA -0.317 57.782 58.100 -0.001 0.000 1.273 586 Y CB -1.139 37.316 38.460 -0.007 0.000 1.110 586 Y HN -0.046 nan 8.280 nan 0.000 0.518 587 D N 0.188 120.651 120.400 0.106 0.000 2.263 587 D HA -0.153 4.486 4.640 -0.001 0.000 0.208 587 D C 0.292 176.640 176.300 0.079 0.000 0.971 587 D CA 1.317 55.369 54.000 0.088 0.000 0.867 587 D CB 0.040 40.876 40.800 0.060 0.000 0.929 587 D HN 0.341 nan 8.370 nan 0.000 0.492 588 D N 0.210 120.658 120.400 0.080 0.000 2.485 588 D HA 0.088 4.727 4.640 -0.001 0.000 0.229 588 D C -1.610 174.752 176.300 0.104 0.000 1.101 588 D CA -2.185 51.856 54.000 0.069 0.000 0.906 588 D CB 1.272 42.100 40.800 0.046 0.000 1.019 588 D HN -0.112 nan 8.370 nan 0.000 0.516 589 P HA -0.214 nan 4.420 nan 0.000 0.220 589 P C 0.513 177.858 177.300 0.074 0.000 1.142 589 P CA 0.921 64.072 63.100 0.085 0.000 0.801 589 P CB 0.376 32.105 31.700 0.049 0.000 0.764 590 N N -0.537 118.206 118.700 0.072 0.000 2.415 590 N HA 0.016 4.756 4.740 -0.001 0.000 0.176 590 N C 0.426 175.982 175.510 0.077 0.000 1.042 590 N CA 0.171 53.255 53.050 0.057 0.000 0.902 590 N CB 0.174 38.682 38.487 0.036 0.000 0.986 590 N HN 0.079 nan 8.380 nan 0.000 0.447 591 V N 0.994 120.979 119.914 0.118 0.000 2.599 591 V HA 0.137 4.257 4.120 -0.001 0.000 0.300 591 V C 1.518 177.739 176.094 0.211 0.000 1.034 591 V CA 0.966 63.348 62.300 0.136 0.000 1.115 591 V CB 0.438 32.328 31.823 0.113 0.000 0.934 591 V HN 0.590 nan 8.190 nan 0.000 0.485 592 G N 3.059 111.945 108.800 0.144 0.000 2.199 592 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.254 592 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.254 592 G C 0.154 175.096 174.900 0.069 0.000 0.982 592 G CA 0.087 45.265 45.100 0.130 0.000 0.632 592 G HN 0.630 nan 8.290 nan 0.000 0.529 593 E N -0.935 119.304 120.200 0.065 0.000 2.371 593 E HA 0.357 4.707 4.350 -0.001 0.000 0.257 593 E C -0.135 176.541 176.600 0.128 0.000 1.134 593 E CA -0.682 55.768 56.400 0.083 0.000 0.919 593 E CB 0.697 30.436 29.700 0.066 0.000 1.025 593 E HN 0.342 nan 8.360 nan 0.000 0.438 594 W N 2.719 124.011 121.300 -0.013 0.000 2.331 594 W HA 0.185 4.845 4.660 -0.000 0.000 0.306 594 W C -0.216 176.300 176.519 -0.005 0.000 1.162 594 W CA -0.281 57.059 57.345 -0.008 0.000 1.232 594 W CB 0.316 29.769 29.460 -0.011 0.000 1.235 594 W HN 0.335 nan 8.180 nan 0.000 0.479 595 K N 0.000 119.996 120.400 -0.673 0.000 2.780 595 K HA 0.000 4.320 4.320 -0.001 0.000 0.191 595 K CA 0.000 55.902 56.287 -0.642 0.000 0.838 595 K CB 0.000 32.313 32.500 -0.311 0.000 1.064 595 K HN 0.000 nan 8.250 nan 0.000 0.543