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 2zws_1_A DATA FIRST_RESID 1 DATA SEQUENCE DDLPYRFGLG KADITGEAAE VGMMGYSSLE QKTAGIHMRQ WARAFVIEEA DATA SEQUENCE ASGRRLVYVN TDLGMIFQAV HLKVLARLKA KYPGVYDENN VMLAATHTHS DATA SEQUENCE GPGGFSHYAM YNLSVLGFQE KTFNAIVDGI VRSIERAQAR LQPGRLFYGS DATA SEQUENCE GELRNASRNR SLLSHLKNPD IAGYEDGIDP QMSVLSFVDA NGELAGAISW DATA SEQUENCE FPVHSTSMTN ANHLISPDNK GYASYHWEHD VSRKSGFVAA FAQTNAGNLS DATA SEQUENCE PNLNLKPGSG PFDNEFDNTR EIGLRQFAKA YEIAGQAQEE VLGELDSRFR DATA SEQUENCE FVDFTRLPIR PEFTDGQPRQ LCTAAIGTXX XXXXXXXXXX XXXLEEGNNP DATA SEQUENCE FLSALGGLLT GVPPQELVQC QAEKTILADT GNKKPYPWTP TVLPIQMFRI DATA SEQUENCE GQLELLGAPA EFTVMAGVRI RRAVQAASEA AGIRHVVFNG YANAYASYVT DATA SEQUENCE TREEYAAQEY EGGSTLYGPW TQAAYQQLFV DMAVALRERL PVETSAIAPD DATA SEQUENCE LSCCQMNFQT GVVADDPYIG KSFGDVLQQP RESYRIGDKV TVAFVTGHPK DATA SEQUENCE NDLRTEKTFL EVVNIGKDGK QTPVTVATDN DWDTQYRWER VGISASKATI DATA SEQUENCE SWSIPPGTEP GHYYIRHYGN AKNFWTQKIS EIGGSTRSFE VLGTT 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 D HA 0.000 nan 4.640 nan 0.000 0.175 1 D C 0.000 176.284 176.300 -0.026 0.000 2.045 1 D CA 0.000 53.989 54.000 -0.019 0.000 0.868 1 D CB 0.000 40.789 40.800 -0.018 0.000 0.688 2 D N -0.800 119.582 120.400 -0.030 0.000 3.268 2 D HA 0.365 5.008 4.640 0.005 0.000 0.173 2 D C -0.497 175.782 176.300 -0.035 0.000 1.219 2 D CA -0.221 53.765 54.000 -0.023 0.000 1.514 2 D CB 0.154 40.946 40.800 -0.012 0.000 1.174 2 D HN 0.065 nan 8.370 nan 0.000 0.170 3 L N 2.520 123.727 121.223 -0.026 0.000 2.456 3 L HA 0.206 4.549 4.340 0.005 0.000 0.272 3 L C -1.179 175.642 176.870 -0.082 0.000 1.189 3 L CA -0.920 53.906 54.840 -0.023 0.000 0.846 3 L CB 0.721 42.791 42.059 0.017 0.000 1.111 3 L HN 0.351 nan 8.230 nan 0.000 0.475 4 P HA -0.078 nan 4.420 nan 0.000 0.222 4 P C -0.441 176.509 177.300 -0.584 0.000 1.153 4 P CA 1.264 64.113 63.100 -0.417 0.000 0.798 4 P CB 0.236 31.591 31.700 -0.575 0.000 0.796 5 Y N -1.253 119.068 120.300 0.036 0.000 2.605 5 Y HA 0.547 5.100 4.550 0.005 0.000 0.343 5 Y C 0.881 176.811 175.900 0.050 0.000 1.036 5 Y CA -1.215 56.925 58.100 0.067 0.000 1.065 5 Y CB 1.758 40.298 38.460 0.133 0.000 1.288 5 Y HN -0.442 nan 8.280 nan 0.000 0.481 6 R N 1.265 121.903 120.500 0.229 0.000 2.711 6 R HA 0.651 4.994 4.340 0.005 0.000 0.284 6 R C -1.699 174.705 176.300 0.173 0.000 0.968 6 R CA -0.810 55.327 56.100 0.062 0.000 0.924 6 R CB 1.716 32.015 30.300 -0.001 0.000 1.162 6 R HN 0.561 nan 8.270 nan 0.000 0.465 7 F N -1.588 118.447 119.950 0.142 0.000 2.613 7 F HA 0.855 5.385 4.527 0.004 0.000 0.314 7 F C -0.395 175.414 175.800 0.016 0.000 1.075 7 F CA -1.419 56.657 58.000 0.127 0.000 0.945 7 F CB 1.716 40.878 39.000 0.269 0.000 1.310 7 F HN 0.511 nan 8.300 nan 0.000 0.467 8 G N 1.871 110.801 108.800 0.217 0.000 2.687 8 G HA2 0.647 4.610 3.960 0.005 0.000 0.301 8 G HA3 0.647 4.610 3.960 0.005 0.000 0.301 8 G C -2.082 172.770 174.900 -0.079 0.000 1.416 8 G CA -1.007 44.120 45.100 0.045 0.000 1.005 8 G HN 0.793 nan 8.290 nan 0.000 0.509 9 L N 1.706 122.825 121.223 -0.173 0.000 2.333 9 L HA 0.839 5.182 4.340 0.005 0.000 0.280 9 L C 0.492 177.143 176.870 -0.366 0.000 1.004 9 L CA -0.798 53.773 54.840 -0.448 0.000 0.820 9 L CB 2.237 43.994 42.059 -0.504 0.000 1.247 9 L HN 0.680 nan 8.230 nan 0.000 0.416 10 G N 1.903 110.449 108.800 -0.423 0.000 2.659 10 G HA2 0.638 4.601 3.960 0.005 0.000 0.296 10 G HA3 0.638 4.601 3.960 0.005 0.000 0.296 10 G C -1.936 172.803 174.900 -0.268 0.000 1.369 10 G CA -0.490 44.444 45.100 -0.275 0.000 0.937 10 G HN 0.475 nan 8.290 nan 0.000 0.485 11 K N -0.122 120.179 120.400 -0.166 0.000 2.501 11 K HA 0.752 5.075 4.320 0.005 0.000 0.252 11 K C -1.133 175.515 176.600 0.079 0.000 0.934 11 K CA -0.667 55.571 56.287 -0.081 0.000 0.797 11 K CB 2.229 34.613 32.500 -0.193 0.000 1.270 11 K HN 0.953 nan 8.250 nan 0.000 0.431 12 A N 2.431 125.396 122.820 0.243 0.000 2.572 12 A HA 0.346 4.669 4.320 0.005 0.000 0.295 12 A C -1.722 176.027 177.584 0.275 0.000 1.072 12 A CA -0.759 51.450 52.037 0.286 0.000 0.691 12 A CB 1.564 20.610 19.000 0.077 0.000 1.291 12 A HN 0.755 nan 8.150 nan 0.000 0.404 13 D N 1.300 121.697 120.400 -0.006 0.000 2.348 13 D HA 0.331 4.974 4.640 0.005 0.000 0.253 13 D C 0.645 176.720 176.300 -0.375 0.000 1.161 13 D CA 0.083 53.720 54.000 -0.605 0.000 0.876 13 D CB 0.439 40.887 40.800 -0.586 0.000 1.160 13 D HN 0.518 nan 8.370 nan 0.000 0.459 14 I N 0.205 120.525 120.570 -0.415 0.000 3.833 14 I HA 0.225 4.398 4.170 0.005 0.000 0.328 14 I C 0.001 175.927 176.117 -0.318 0.000 1.554 14 I CA -0.645 60.471 61.300 -0.306 0.000 1.116 14 I CB 0.321 38.169 38.000 -0.254 0.000 1.182 14 I HN -0.012 nan 8.210 nan 0.000 0.459 15 T N 2.256 116.598 114.554 -0.353 0.000 2.888 15 T HA 0.423 4.775 4.350 0.005 0.000 0.301 15 T C 0.843 175.435 174.700 -0.180 0.000 1.001 15 T CA 0.243 62.188 62.100 -0.258 0.000 1.147 15 T CB 1.457 70.177 68.868 -0.246 0.000 0.931 15 T HN 0.551 nan 8.240 nan 0.000 0.541 16 G N 1.818 110.534 108.800 -0.140 0.000 2.695 16 G HA2 0.402 4.364 3.960 0.005 0.000 0.213 16 G HA3 0.402 4.364 3.960 0.005 0.000 0.213 16 G C -0.591 174.285 174.900 -0.040 0.000 1.406 16 G CA -0.815 44.223 45.100 -0.102 0.000 1.049 16 G HN 0.697 nan 8.290 nan 0.000 0.573 17 E N 0.139 120.323 120.200 -0.027 0.000 2.351 17 E HA 0.349 4.702 4.350 0.005 0.000 0.266 17 E C 0.791 177.397 176.600 0.010 0.000 1.031 17 E CA 0.048 56.443 56.400 -0.008 0.000 0.911 17 E CB 1.353 31.039 29.700 -0.024 0.000 0.986 17 E HN 0.439 nan 8.360 nan 0.000 0.446 18 A N 3.261 126.088 122.820 0.011 0.000 2.218 18 A HA 0.353 4.676 4.320 0.005 0.000 0.209 18 A C 0.614 178.181 177.584 -0.028 0.000 1.168 18 A CA 0.538 52.584 52.037 0.015 0.000 0.804 18 A CB 0.410 19.423 19.000 0.022 0.000 0.834 18 A HN 0.527 nan 8.150 nan 0.000 0.482 19 A N -0.915 121.847 122.820 -0.097 0.000 2.486 19 A HA 0.620 4.943 4.320 0.005 0.000 0.300 19 A C 0.005 177.580 177.584 -0.016 0.000 1.048 19 A CA -0.164 51.790 52.037 -0.139 0.000 0.696 19 A CB 0.586 19.209 19.000 -0.628 0.000 1.278 19 A HN 0.376 nan 8.150 nan 0.000 0.405 20 E N -0.699 119.535 120.200 0.056 0.000 2.596 20 E HA -0.135 4.217 4.350 0.005 0.000 0.272 20 E C -0.755 175.887 176.600 0.070 0.000 1.039 20 E CA 0.812 57.273 56.400 0.102 0.000 0.804 20 E CB -1.662 28.136 29.700 0.163 0.000 1.373 20 E HN 0.525 nan 8.360 nan 0.000 0.404 21 V N 0.281 120.235 119.914 0.068 0.000 2.588 21 V HA 0.523 4.646 4.120 0.005 0.000 0.304 21 V C 1.000 177.146 176.094 0.086 0.000 1.042 21 V CA -0.278 62.055 62.300 0.056 0.000 0.877 21 V CB 1.955 33.799 31.823 0.035 0.000 0.996 21 V HN 0.294 nan 8.190 nan 0.000 0.425 22 G N 4.351 113.201 108.800 0.083 0.000 2.321 22 G HA2 0.272 4.235 3.960 0.005 0.000 0.237 22 G HA3 0.272 4.235 3.960 0.005 0.000 0.237 22 G C -0.161 174.806 174.900 0.110 0.000 1.282 22 G CA -0.118 45.044 45.100 0.102 0.000 0.886 22 G HN 0.609 nan 8.290 nan 0.000 0.528 23 M N 1.296 120.970 119.600 0.124 0.000 2.255 23 M HA 0.299 4.782 4.480 0.005 0.000 0.336 23 M C 0.340 176.705 176.300 0.108 0.000 1.135 23 M CA -0.459 54.915 55.300 0.123 0.000 1.145 23 M CB 1.512 34.188 32.600 0.126 0.000 1.473 23 M HN 0.471 nan 8.290 nan 0.000 0.462 24 M N 1.970 121.622 119.600 0.087 0.000 2.113 24 M HA 0.471 4.954 4.480 0.005 0.000 0.352 24 M C 0.272 176.480 176.300 -0.153 0.000 1.170 24 M CA 0.514 55.833 55.300 0.031 0.000 1.053 24 M CB 0.377 33.037 32.600 0.100 0.000 1.601 24 M HN 0.815 nan 8.290 nan 0.000 0.459 25 G N 3.517 112.217 108.800 -0.166 0.000 3.288 25 G HA2 -0.213 3.749 3.960 0.005 0.000 0.195 25 G HA3 -0.213 3.749 3.960 0.005 0.000 0.195 25 G C 0.515 175.370 174.900 -0.076 0.000 1.093 25 G CA -0.024 44.819 45.100 -0.428 0.000 0.852 25 G HN 0.645 nan 8.290 nan 0.000 0.453 26 Y N 1.943 122.348 120.300 0.176 0.000 2.466 26 Y HA 0.390 4.943 4.550 0.005 0.000 0.272 26 Y C 1.753 177.731 175.900 0.129 0.000 1.169 26 Y CA 0.553 58.750 58.100 0.162 0.000 1.285 26 Y CB 0.646 39.167 38.460 0.102 0.000 1.078 26 Y HN 0.224 nan 8.280 nan 0.000 0.523 27 S N 0.553 116.404 115.700 0.252 0.000 3.641 27 S HA -0.215 4.258 4.470 0.005 0.000 0.346 27 S C 0.163 174.866 174.600 0.171 0.000 1.074 27 S CA 0.767 59.091 58.200 0.206 0.000 1.026 27 S CB -1.548 61.787 63.200 0.225 0.000 0.908 27 S HN 0.388 nan 8.310 nan 0.000 0.479 28 S N -0.238 115.564 115.700 0.169 0.000 2.451 28 S HA 0.608 5.081 4.470 0.005 0.000 0.301 28 S C 0.900 175.569 174.600 0.115 0.000 1.116 28 S CA -0.932 57.344 58.200 0.128 0.000 1.093 28 S CB 0.727 63.995 63.200 0.114 0.000 1.017 28 S HN 0.383 nan 8.310 nan 0.000 0.482 29 L N 3.890 125.171 121.223 0.097 0.000 2.551 29 L HA 0.087 4.430 4.340 0.005 0.000 0.228 29 L C 1.972 178.899 176.870 0.096 0.000 1.153 29 L CA 0.527 55.421 54.840 0.091 0.000 0.851 29 L CB -0.169 41.936 42.059 0.076 0.000 0.959 29 L HN 0.726 nan 8.230 nan 0.000 0.451 30 E N -0.481 119.780 120.200 0.102 0.000 2.481 30 E HA -0.076 4.277 4.350 0.005 0.000 0.198 30 E C 0.820 177.543 176.600 0.205 0.000 1.027 30 E CA -0.029 56.447 56.400 0.127 0.000 0.900 30 E CB 0.138 29.901 29.700 0.105 0.000 0.993 30 E HN 0.408 nan 8.360 nan 0.000 0.482 31 Q N 2.034 121.932 119.800 0.165 0.000 2.810 31 Q HA 0.163 4.506 4.340 0.005 0.000 0.236 31 Q C -0.808 175.319 176.000 0.211 0.000 1.278 31 Q CA -0.143 55.748 55.803 0.146 0.000 1.065 31 Q CB 0.278 29.044 28.738 0.046 0.000 1.364 31 Q HN 0.010 nan 8.270 nan 0.000 0.570 32 K N 1.342 121.938 120.400 0.328 0.000 2.118 32 K HA 0.229 4.552 4.320 0.005 0.000 0.267 32 K C 0.203 176.978 176.600 0.291 0.000 0.991 32 K CA -0.408 56.026 56.287 0.245 0.000 0.916 32 K CB 1.108 33.710 32.500 0.170 0.000 1.041 32 K HN 0.473 nan 8.250 nan 0.000 0.455 33 T N -1.369 113.295 114.554 0.183 0.000 2.937 33 T HA 0.175 4.528 4.350 0.005 0.000 0.316 33 T C 0.646 175.435 174.700 0.148 0.000 1.079 33 T CA -0.439 61.758 62.100 0.162 0.000 1.131 33 T CB 0.827 69.756 68.868 0.102 0.000 1.000 33 T HN 0.644 nan 8.240 nan 0.000 0.549 34 A N 1.228 124.136 122.820 0.146 0.000 2.569 34 A HA 0.763 5.085 4.320 0.005 0.000 0.284 34 A C 0.764 178.367 177.584 0.033 0.000 0.948 34 A CA 0.128 52.230 52.037 0.108 0.000 1.007 34 A CB -0.004 19.029 19.000 0.055 0.000 1.232 34 A HN 1.824 nan 8.150 nan 0.000 0.530 35 G N -0.603 108.225 108.800 0.047 0.000 2.350 35 G HA2 0.372 4.334 3.960 0.005 0.000 0.276 35 G HA3 0.372 4.334 3.960 0.005 0.000 0.276 35 G C -1.748 173.264 174.900 0.186 0.000 1.313 35 G CA -0.432 44.687 45.100 0.030 0.000 0.903 35 G HN 0.469 nan 8.290 nan 0.000 0.490 36 I N 0.442 121.190 120.570 0.297 0.000 2.499 36 I HA 0.377 4.550 4.170 0.005 0.000 0.288 36 I C 0.985 177.265 176.117 0.272 0.000 1.048 36 I CA -0.734 60.721 61.300 0.259 0.000 1.062 36 I CB 2.270 40.423 38.000 0.256 0.000 1.238 36 I HN 0.865 nan 8.210 nan 0.000 0.426 37 H N 6.629 125.768 119.070 0.116 0.000 2.320 37 H HA 0.343 4.901 4.556 0.004 0.000 0.309 37 H C 0.013 175.371 175.328 0.049 0.000 1.057 37 H CA 0.556 56.642 56.048 0.063 0.000 1.374 37 H CB 0.721 30.542 29.762 0.097 0.000 1.421 37 H HN 0.412 nan 8.280 nan 0.000 0.532 38 M N 0.813 120.403 119.600 -0.017 0.000 2.572 38 M HA 0.351 4.834 4.480 0.005 0.000 0.299 38 M C -0.512 175.824 176.300 0.059 0.000 1.205 38 M CA -0.726 54.552 55.300 -0.036 0.000 0.876 38 M CB 3.315 35.831 32.600 -0.140 0.000 1.728 38 M HN 0.100 nan 8.290 nan 0.000 0.458 39 R N 0.800 121.356 120.500 0.094 0.000 2.649 39 R HA 0.308 4.651 4.340 0.005 0.000 0.270 39 R C -0.542 175.645 176.300 -0.187 0.000 1.105 39 R CA -0.305 55.735 56.100 -0.101 0.000 1.193 39 R CB 0.617 30.739 30.300 -0.297 0.000 1.120 39 R HN 0.604 nan 8.270 nan 0.000 0.561 40 Q N 0.492 120.044 119.800 -0.413 0.000 2.256 40 Q HA 0.256 4.598 4.340 0.005 0.000 0.257 40 Q C -1.293 174.330 176.000 -0.629 0.000 0.936 40 Q CA -0.216 55.396 55.803 -0.318 0.000 0.903 40 Q CB 1.494 30.102 28.738 -0.216 0.000 1.263 40 Q HN 0.386 nan 8.270 nan 0.000 0.440 41 W N 0.397 121.690 121.300 -0.011 0.000 2.844 41 W HA 0.655 5.321 4.660 0.010 0.000 0.340 41 W C -0.732 175.764 176.519 -0.039 0.000 1.093 41 W CA -0.833 56.498 57.345 -0.025 0.000 1.212 41 W CB 1.502 30.963 29.460 0.002 0.000 1.422 41 W HN 0.587 nan 8.180 nan 0.000 0.515 42 A N 2.669 125.588 122.820 0.165 0.000 2.290 42 A HA 0.826 5.149 4.320 0.005 0.000 0.310 42 A C -0.483 177.145 177.584 0.072 0.000 1.202 42 A CA -0.803 51.276 52.037 0.069 0.000 0.837 42 A CB 0.508 19.501 19.000 -0.012 0.000 1.139 42 A HN 0.732 nan 8.150 nan 0.000 0.509 43 R N 1.565 122.089 120.500 0.040 0.000 2.360 43 R HA 0.574 4.917 4.340 0.005 0.000 0.318 43 R C -0.529 175.711 176.300 -0.101 0.000 0.950 43 R CA -0.204 55.860 56.100 -0.061 0.000 0.837 43 R CB 2.006 32.338 30.300 0.053 0.000 1.165 43 R HN 0.803 nan 8.270 nan 0.000 0.458 44 A N 3.479 126.112 122.820 -0.311 0.000 2.324 44 A HA 0.738 5.061 4.320 0.005 0.000 0.330 44 A C -1.084 176.209 177.584 -0.485 0.000 1.165 44 A CA -0.478 51.435 52.037 -0.206 0.000 0.813 44 A CB 0.546 19.449 19.000 -0.162 0.000 1.197 44 A HN 0.597 nan 8.150 nan 0.000 0.484 45 F N 2.039 121.964 119.950 -0.042 0.000 2.577 45 F HA 0.406 4.935 4.527 0.004 0.000 0.344 45 F C -0.112 175.714 175.800 0.044 0.000 1.145 45 F CA -0.645 57.290 58.000 -0.108 0.000 0.996 45 F CB 1.929 40.849 39.000 -0.132 0.000 1.248 45 F HN 0.265 nan 8.300 nan 0.000 0.447 46 V N 5.226 125.223 119.914 0.138 0.000 2.465 46 V HA 0.442 4.565 4.120 0.005 0.000 0.279 46 V C 0.157 176.393 176.094 0.237 0.000 1.045 46 V CA -0.512 61.895 62.300 0.179 0.000 0.938 46 V CB 1.463 33.356 31.823 0.117 0.000 0.986 46 V HN 0.516 nan 8.190 nan 0.000 0.467 47 I N 4.543 125.247 120.570 0.224 0.000 2.498 47 I HA 0.542 4.715 4.170 0.005 0.000 0.290 47 I C -0.284 175.925 176.117 0.153 0.000 1.032 47 I CA -0.465 60.972 61.300 0.229 0.000 1.073 47 I CB 2.067 40.174 38.000 0.178 0.000 1.251 47 I HN 0.571 nan 8.210 nan 0.000 0.426 48 E N 4.603 124.916 120.200 0.188 0.000 2.266 48 E HA 0.319 4.672 4.350 0.005 0.000 0.268 48 E C -1.200 175.544 176.600 0.241 0.000 0.879 48 E CA -0.838 55.650 56.400 0.148 0.000 0.762 48 E CB 2.959 32.712 29.700 0.089 0.000 1.199 48 E HN 0.496 nan 8.360 nan 0.000 0.422 49 E N 1.200 121.511 120.200 0.185 0.000 2.259 49 E HA 0.206 4.558 4.350 0.005 0.000 0.281 49 E C 0.401 177.023 176.600 0.037 0.000 1.037 49 E CA -0.096 56.401 56.400 0.161 0.000 0.854 49 E CB 1.049 30.813 29.700 0.107 0.000 1.051 49 E HN 0.694 nan 8.360 nan 0.000 0.409 50 A N 4.078 126.876 122.820 -0.036 0.000 2.125 50 A HA -0.136 4.186 4.320 0.005 0.000 0.219 50 A C 1.819 179.373 177.584 -0.051 0.000 1.156 50 A CA 1.665 53.674 52.037 -0.047 0.000 0.671 50 A CB -0.201 18.752 19.000 -0.078 0.000 0.794 50 A HN 0.664 nan 8.150 nan 0.000 0.459 51 A N -1.692 121.093 122.820 -0.058 0.000 1.911 51 A HA 0.397 4.720 4.320 0.005 0.000 0.212 51 A C 1.252 178.818 177.584 -0.030 0.000 1.189 51 A CA 1.074 53.081 52.037 -0.050 0.000 0.639 51 A CB -0.454 18.506 19.000 -0.067 0.000 0.839 51 A HN 0.793 nan 8.150 nan 0.000 0.449 52 S N -2.636 113.052 115.700 -0.019 0.000 3.410 52 S HA 0.056 4.529 4.470 0.005 0.000 0.640 52 S C 0.252 174.845 174.600 -0.013 0.000 2.552 52 S CA 0.632 58.826 58.200 -0.011 0.000 2.728 52 S CB -1.083 62.118 63.200 0.002 0.000 0.329 52 S HN 1.773 nan 8.310 nan 0.000 1.792 53 G N -0.118 108.678 108.800 -0.007 0.000 2.617 53 G HA2 0.609 4.572 3.960 0.005 0.000 0.306 53 G HA3 0.609 4.572 3.960 0.005 0.000 0.306 53 G C -0.966 173.924 174.900 -0.016 0.000 1.360 53 G CA -0.689 44.413 45.100 0.002 0.000 0.983 53 G HN 0.772 nan 8.290 nan 0.000 0.496 54 R N 0.191 120.677 120.500 -0.022 0.000 2.564 54 R HA -0.162 4.181 4.340 0.005 0.000 0.298 54 R C -0.102 176.192 176.300 -0.010 0.000 1.011 54 R CA 0.739 56.829 56.100 -0.016 0.000 0.867 54 R CB -0.546 29.753 30.300 -0.001 0.000 2.352 54 R HN 0.787 nan 8.270 nan 0.000 0.511 55 R N 2.945 123.423 120.500 -0.036 0.000 2.670 55 R HA 0.630 4.973 4.340 0.005 0.000 0.289 55 R C -0.658 175.613 176.300 -0.049 0.000 0.965 55 R CA -0.735 55.353 56.100 -0.020 0.000 0.899 55 R CB 1.229 31.505 30.300 -0.040 0.000 1.173 55 R HN 0.341 nan 8.270 nan 0.000 0.456 56 L N 3.359 124.548 121.223 -0.056 0.000 2.341 56 L HA 0.670 5.013 4.340 0.005 0.000 0.267 56 L C -0.911 176.011 176.870 0.087 0.000 1.009 56 L CA -1.260 53.479 54.840 -0.167 0.000 0.819 56 L CB 2.171 43.920 42.059 -0.516 0.000 1.323 56 L HN 0.381 nan 8.230 nan 0.000 0.425 57 V N 2.030 122.065 119.914 0.201 0.000 2.638 57 V HA 0.463 4.586 4.120 0.005 0.000 0.306 57 V C -1.812 174.568 176.094 0.476 0.000 1.052 57 V CA -0.378 62.096 62.300 0.290 0.000 0.885 57 V CB 2.012 33.917 31.823 0.136 0.000 0.999 57 V HN 0.604 nan 8.190 nan 0.000 0.424 58 Y N 5.836 126.355 120.300 0.365 0.000 2.341 58 Y HA 0.771 5.325 4.550 0.007 0.000 0.338 58 Y C -0.938 175.129 175.900 0.279 0.000 0.965 58 Y CA -0.590 57.718 58.100 0.346 0.000 1.108 58 Y CB 1.977 40.651 38.460 0.357 0.000 1.180 58 Y HN 0.470 nan 8.280 nan 0.000 0.458 59 V N 6.155 125.824 119.914 -0.408 0.000 2.444 59 V HA 0.326 4.449 4.120 0.005 0.000 0.294 59 V C -0.824 174.967 176.094 -0.506 0.000 1.022 59 V CA -0.917 61.213 62.300 -0.283 0.000 0.850 59 V CB 1.496 33.236 31.823 -0.139 0.000 0.992 59 V HN 0.797 nan 8.190 nan 0.000 0.426 60 N N 2.707 121.258 118.700 -0.248 0.000 2.400 60 N HA 0.671 5.414 4.740 0.005 0.000 0.288 60 N C -0.376 175.131 175.510 -0.004 0.000 1.024 60 N CA -0.212 52.761 53.050 -0.128 0.000 0.894 60 N CB 1.774 40.297 38.487 0.060 0.000 1.173 60 N HN 0.870 nan 8.380 nan 0.000 0.487 61 T N -0.577 113.971 114.554 -0.009 0.000 2.863 61 T HA 0.361 4.714 4.350 0.005 0.000 0.285 61 T C -0.581 174.136 174.700 0.027 0.000 1.009 61 T CA -0.945 61.157 62.100 0.003 0.000 0.989 61 T CB 1.052 69.892 68.868 -0.046 0.000 1.004 61 T HN 0.258 nan 8.240 nan 0.000 0.455 62 D N 3.040 123.467 120.400 0.045 0.000 2.671 62 D HA 0.314 4.957 4.640 0.005 0.000 0.228 62 D C -0.114 176.180 176.300 -0.010 0.000 1.102 62 D CA 0.256 54.287 54.000 0.053 0.000 1.044 62 D CB -0.294 40.565 40.800 0.099 0.000 1.113 62 D HN 0.473 nan 8.370 nan 0.000 0.480 63 L N -1.351 119.862 121.223 -0.016 0.000 2.327 63 L HA 0.422 4.765 4.340 0.005 0.000 0.258 63 L C 1.812 178.680 176.870 -0.003 0.000 1.024 63 L CA -1.102 53.730 54.840 -0.013 0.000 0.825 63 L CB 1.809 43.849 42.059 -0.032 0.000 1.386 63 L HN 0.068 nan 8.230 nan 0.000 0.417 64 G N 1.146 109.958 108.800 0.019 0.000 2.422 64 G HA2 0.017 3.980 3.960 0.005 0.000 0.218 64 G HA3 0.017 3.980 3.960 0.005 0.000 0.218 64 G C 0.399 175.214 174.900 -0.143 0.000 1.146 64 G CA 0.970 45.995 45.100 -0.125 0.000 0.769 64 G HN 0.490 nan 8.290 nan 0.000 0.547 65 M N -1.781 117.668 119.600 -0.251 0.000 2.895 65 M HA 0.409 4.892 4.480 0.005 0.000 0.271 65 M C -2.160 173.945 176.300 -0.324 0.000 1.174 65 M CA -1.042 54.023 55.300 -0.391 0.000 0.816 65 M CB 1.234 33.300 32.600 -0.889 0.000 1.647 65 M HN -0.235 nan 8.290 nan 0.000 0.506 66 I N 2.745 123.196 120.570 -0.199 0.000 2.310 66 I HA 0.394 4.567 4.170 0.005 0.000 0.287 66 I C -0.803 175.328 176.117 0.024 0.000 1.073 66 I CA -0.373 60.911 61.300 -0.026 0.000 1.216 66 I CB -0.552 37.472 38.000 0.040 0.000 1.415 66 I HN 0.566 nan 8.210 nan 0.000 0.480 67 F N 3.722 123.827 119.950 0.258 0.000 2.410 67 F HA 0.052 4.584 4.527 0.009 0.000 0.334 67 F C 1.935 177.910 175.800 0.291 0.000 1.134 67 F CA -0.005 58.141 58.000 0.243 0.000 1.227 67 F CB 0.681 39.809 39.000 0.212 0.000 1.194 67 F HN 0.452 nan 8.300 nan 0.000 0.571 68 Q N 2.108 122.229 119.800 0.535 0.000 2.112 68 Q HA -0.259 4.084 4.340 0.005 0.000 0.206 68 Q C 2.091 178.331 176.000 0.401 0.000 0.987 68 Q CA 2.107 58.190 55.803 0.466 0.000 0.858 68 Q CB -0.193 28.819 28.738 0.457 0.000 0.905 68 Q HN 0.849 nan 8.270 nan 0.000 0.420 69 A N -0.395 122.599 122.820 0.290 0.000 1.940 69 A HA -0.167 4.156 4.320 0.005 0.000 0.219 69 A C 2.199 180.026 177.584 0.406 0.000 1.176 69 A CA 1.674 53.762 52.037 0.085 0.000 0.631 69 A CB -0.744 17.863 19.000 -0.656 0.000 0.814 69 A HN 0.320 nan 8.150 nan 0.000 0.446 70 V N -0.330 119.879 119.914 0.492 0.000 2.270 70 V HA -0.281 3.842 4.120 0.005 0.000 0.245 70 V C 2.497 178.730 176.094 0.232 0.000 1.043 70 V CA 2.124 64.589 62.300 0.275 0.000 1.014 70 V CB -1.046 30.933 31.823 0.261 0.000 0.645 70 V HN 0.819 nan 8.190 nan 0.000 0.447 71 H N 0.007 119.200 119.070 0.205 0.000 2.319 71 H HA -0.179 4.379 4.556 0.004 0.000 0.297 71 H C 2.270 177.708 175.328 0.184 0.000 1.097 71 H CA 2.218 58.375 56.048 0.182 0.000 1.285 71 H CB -0.016 29.896 29.762 0.250 0.000 1.368 71 H HN 0.333 nan 8.280 nan 0.000 0.495 72 L N 0.249 121.575 121.223 0.172 0.000 2.046 72 L HA -0.163 4.180 4.340 0.005 0.000 0.208 72 L C 2.834 179.742 176.870 0.063 0.000 1.077 72 L CA 1.439 56.333 54.840 0.090 0.000 0.747 72 L CB -0.288 41.871 42.059 0.167 0.000 0.896 72 L HN 0.149 nan 8.230 nan 0.000 0.432 73 K N -0.103 120.373 120.400 0.127 0.000 2.062 73 K HA -0.075 4.247 4.320 0.005 0.000 0.205 73 K C 1.899 178.519 176.600 0.033 0.000 1.051 73 K CA 0.918 57.276 56.287 0.120 0.000 0.941 73 K CB -0.233 32.403 32.500 0.227 0.000 0.719 73 K HN -0.023 nan 8.250 nan 0.000 0.440 74 V N 0.859 120.771 119.914 -0.004 0.000 2.287 74 V HA -0.247 3.876 4.120 0.005 0.000 0.248 74 V C 2.038 178.105 176.094 -0.045 0.000 1.053 74 V CA 1.468 63.745 62.300 -0.039 0.000 1.027 74 V CB -0.433 31.363 31.823 -0.045 0.000 0.646 74 V HN 0.205 nan 8.190 nan 0.000 0.447 75 L N 0.339 121.510 121.223 -0.088 0.000 2.046 75 L HA -0.118 4.224 4.340 0.005 0.000 0.208 75 L C 2.620 179.482 176.870 -0.014 0.000 1.077 75 L CA 2.287 57.076 54.840 -0.085 0.000 0.747 75 L CB -1.446 40.504 42.059 -0.181 0.000 0.896 75 L HN 0.299 nan 8.230 nan 0.000 0.432 76 A N -0.624 122.196 122.820 0.001 0.000 1.908 76 A HA -0.269 4.054 4.320 0.005 0.000 0.218 76 A C 2.502 180.102 177.584 0.025 0.000 1.181 76 A CA 1.935 53.986 52.037 0.024 0.000 0.627 76 A CB -0.528 18.494 19.000 0.038 0.000 0.818 76 A HN 0.347 nan 8.150 nan 0.000 0.445 77 R N -0.193 120.320 120.500 0.022 0.000 2.081 77 R HA -0.006 4.337 4.340 0.005 0.000 0.235 77 R C 1.903 178.229 176.300 0.043 0.000 1.131 77 R CA 1.482 57.593 56.100 0.019 0.000 0.960 77 R CB -0.599 29.707 30.300 0.011 0.000 0.856 77 R HN 0.512 nan 8.270 nan 0.000 0.436 78 L N 0.201 121.469 121.223 0.075 0.000 2.083 78 L HA -0.150 4.193 4.340 0.005 0.000 0.209 78 L C 2.288 179.279 176.870 0.202 0.000 1.083 78 L CA 1.607 56.560 54.840 0.189 0.000 0.752 78 L CB -0.325 41.816 42.059 0.138 0.000 0.899 78 L HN 0.182 nan 8.230 nan 0.000 0.433 79 K N -0.100 120.367 120.400 0.112 0.000 2.148 79 K HA -0.077 4.246 4.320 0.005 0.000 0.204 79 K C 2.224 178.844 176.600 0.033 0.000 1.050 79 K CA 1.139 57.476 56.287 0.083 0.000 0.942 79 K CB -0.180 32.354 32.500 0.056 0.000 0.724 79 K HN 0.269 nan 8.250 nan 0.000 0.446 80 A N 1.446 124.268 122.820 0.004 0.000 1.930 80 A HA -0.159 4.163 4.320 0.005 0.000 0.217 80 A C 2.001 179.515 177.584 -0.117 0.000 1.175 80 A CA 1.491 53.504 52.037 -0.040 0.000 0.627 80 A CB -0.148 18.832 19.000 -0.035 0.000 0.815 80 A HN 0.151 nan 8.150 nan 0.000 0.443 81 K N -2.418 117.859 120.400 -0.205 0.000 2.308 81 K HA 0.100 4.423 4.320 0.005 0.000 0.197 81 K C -0.617 175.486 176.600 -0.828 0.000 1.049 81 K CA 0.378 56.336 56.287 -0.549 0.000 0.991 81 K CB 0.201 32.280 32.500 -0.702 0.000 0.836 81 K HN 0.527 nan 8.250 nan 0.000 0.500 82 Y N 1.631 121.970 120.300 0.066 0.000 2.470 82 Y HA 0.305 4.858 4.550 0.004 0.000 0.352 82 Y C -2.472 173.444 175.900 0.027 0.000 0.967 82 Y CA -2.641 55.496 58.100 0.061 0.000 1.121 82 Y CB 0.742 39.288 38.460 0.144 0.000 1.149 82 Y HN 0.003 nan 8.280 nan 0.000 0.641 83 P HA 0.095 nan 4.420 nan 0.000 0.268 83 P C 1.075 178.394 177.300 0.032 0.000 1.204 83 P CA 1.286 64.413 63.100 0.045 0.000 0.768 83 P CB 1.385 33.093 31.700 0.014 0.000 0.842 84 G N 1.643 110.455 108.800 0.021 0.000 2.205 84 G HA2 -0.292 3.671 3.960 0.005 0.000 0.261 84 G HA3 -0.292 3.671 3.960 0.005 0.000 0.261 84 G C 0.730 175.595 174.900 -0.058 0.000 0.980 84 G CA 0.285 45.379 45.100 -0.009 0.000 0.632 84 G HN 0.402 nan 8.290 nan 0.000 0.533 85 V N -1.059 118.797 119.914 -0.098 0.000 2.492 85 V HA 0.319 4.441 4.120 0.005 0.000 0.241 85 V C 1.044 176.863 176.094 -0.458 0.000 1.041 85 V CA 1.442 63.540 62.300 -0.337 0.000 1.057 85 V CB -0.196 31.335 31.823 -0.487 0.000 0.711 85 V HN 0.382 nan 8.190 nan 0.000 0.468 86 Y N 0.595 120.921 120.300 0.043 0.000 2.446 86 Y HA 0.609 5.163 4.550 0.005 0.000 0.345 86 Y C -0.267 175.640 175.900 0.012 0.000 0.984 86 Y CA -1.071 57.044 58.100 0.026 0.000 1.058 86 Y CB 1.867 40.349 38.460 0.036 0.000 1.220 86 Y HN 0.359 nan 8.280 nan 0.000 0.455 87 D N -0.881 119.614 120.400 0.159 0.000 2.946 87 D HA 0.179 4.822 4.640 0.005 0.000 0.337 87 D C 0.114 176.382 176.300 -0.053 0.000 1.332 87 D CA -0.675 53.352 54.000 0.044 0.000 0.935 87 D CB 0.421 41.233 40.800 0.021 0.000 1.440 87 D HN 0.342 nan 8.370 nan 0.000 0.540 88 E N -0.576 119.493 120.200 -0.218 0.000 2.160 88 E HA -0.108 4.245 4.350 0.005 0.000 0.195 88 E C 1.286 177.609 176.600 -0.462 0.000 0.991 88 E CA 1.324 57.356 56.400 -0.613 0.000 0.810 88 E CB -0.218 28.819 29.700 -1.106 0.000 0.742 88 E HN 0.321 nan 8.360 nan 0.000 0.466 89 N N 0.930 119.559 118.700 -0.118 0.000 2.331 89 N HA -0.093 4.650 4.740 0.005 0.000 0.180 89 N C 0.752 176.393 175.510 0.218 0.000 1.019 89 N CA 1.057 54.171 53.050 0.106 0.000 0.881 89 N CB -0.048 38.504 38.487 0.110 0.000 0.972 89 N HN 0.329 nan 8.380 nan 0.000 0.435 90 N N -0.458 118.348 118.700 0.176 0.000 2.241 90 N HA 0.050 4.793 4.740 0.005 0.000 0.238 90 N C -1.019 174.686 175.510 0.326 0.000 1.244 90 N CA -0.138 53.015 53.050 0.171 0.000 0.880 90 N CB 0.232 38.745 38.487 0.042 0.000 1.179 90 N HN -0.232 nan 8.380 nan 0.000 0.513 91 V N 1.577 121.716 119.914 0.375 0.000 2.483 91 V HA 0.460 4.583 4.120 0.005 0.000 0.297 91 V C -0.597 175.691 176.094 0.325 0.000 1.027 91 V CA -0.619 61.870 62.300 0.315 0.000 0.855 91 V CB 1.894 33.778 31.823 0.101 0.000 0.995 91 V HN 0.315 nan 8.190 nan 0.000 0.424 92 M N 6.333 126.117 119.600 0.308 0.000 2.243 92 M HA 0.652 5.135 4.480 0.005 0.000 0.324 92 M C -1.907 174.376 176.300 -0.027 0.000 1.031 92 M CA -0.522 54.814 55.300 0.060 0.000 0.949 92 M CB 1.472 33.959 32.600 -0.188 0.000 1.615 92 M HN 0.528 nan 8.290 nan 0.000 0.430 93 L N 4.666 125.875 121.223 -0.023 0.000 2.333 93 L HA 0.911 5.254 4.340 0.005 0.000 0.280 93 L C -0.534 176.285 176.870 -0.085 0.000 1.004 93 L CA -0.635 54.161 54.840 -0.074 0.000 0.820 93 L CB 1.633 43.718 42.059 0.042 0.000 1.247 93 L HN 0.849 nan 8.230 nan 0.000 0.416 94 A N 2.488 125.220 122.820 -0.147 0.000 2.527 94 A HA 0.991 5.314 4.320 0.005 0.000 0.293 94 A C -1.138 176.439 177.584 -0.011 0.000 1.117 94 A CA -0.454 51.566 52.037 -0.029 0.000 0.723 94 A CB 1.997 21.025 19.000 0.047 0.000 1.313 94 A HN 0.750 nan 8.150 nan 0.000 0.411 95 A N -0.567 122.282 122.820 0.049 0.000 2.413 95 A HA 0.679 5.002 4.320 0.005 0.000 0.307 95 A C 0.830 178.399 177.584 -0.025 0.000 1.087 95 A CA 0.251 52.291 52.037 0.007 0.000 0.750 95 A CB 0.749 19.740 19.000 -0.015 0.000 1.296 95 A HN 1.691 nan 8.150 nan 0.000 0.423 96 T N -2.116 112.428 114.554 -0.016 0.000 3.067 96 T HA 0.063 4.416 4.350 0.005 0.000 0.261 96 T C 0.771 175.416 174.700 -0.092 0.000 1.110 96 T CA 1.516 63.612 62.100 -0.008 0.000 1.113 96 T CB -0.350 68.564 68.868 0.076 0.000 0.917 96 T HN 1.559 nan 8.240 nan 0.000 0.499 97 H N 0.704 119.589 119.070 -0.309 0.000 2.969 97 H HA -0.148 4.410 4.556 0.004 0.000 0.269 97 H C 0.175 175.460 175.328 -0.071 0.000 1.230 97 H CA 0.389 56.214 56.048 -0.372 0.000 1.123 97 H CB -2.217 27.068 29.762 -0.795 0.000 1.289 97 H HN 0.577 nan 8.280 nan 0.000 0.364 98 T N -0.662 113.886 114.554 -0.010 0.000 2.946 98 T HA 0.032 4.385 4.350 0.005 0.000 0.311 98 T C 1.074 175.756 174.700 -0.029 0.000 1.063 98 T CA 0.503 62.628 62.100 0.041 0.000 1.139 98 T CB 0.356 69.259 68.868 0.057 0.000 0.994 98 T HN 0.492 nan 8.240 nan 0.000 0.547 99 H N 2.156 121.087 119.070 -0.232 0.000 2.505 99 H HA 0.383 4.942 4.556 0.006 0.000 0.289 99 H C 0.978 176.217 175.328 -0.150 0.000 1.052 99 H CA -0.198 55.630 56.048 -0.366 0.000 1.156 99 H CB 0.532 29.767 29.762 -0.879 0.000 1.507 99 H HN 0.408 nan 8.280 nan 0.000 0.548 100 S N -0.011 115.726 115.700 0.062 0.000 2.711 100 S HA 0.361 4.834 4.470 0.005 0.000 0.247 100 S C 0.829 175.477 174.600 0.080 0.000 1.079 100 S CA -0.245 58.013 58.200 0.096 0.000 1.050 100 S CB 0.690 63.959 63.200 0.115 0.000 0.885 100 S HN 0.497 nan 8.310 nan 0.000 0.498 101 G N 2.554 111.392 108.800 0.064 0.000 2.489 101 G HA2 0.632 4.594 3.960 0.005 0.000 0.327 101 G HA3 0.632 4.594 3.960 0.005 0.000 0.327 101 G C -3.159 171.806 174.900 0.110 0.000 1.189 101 G CA -2.079 43.060 45.100 0.066 0.000 0.962 101 G HN -0.010 nan 8.290 nan 0.000 0.486 102 P HA 0.172 nan 4.420 nan 0.000 0.268 102 P C 0.523 177.981 177.300 0.262 0.000 1.204 102 P CA 0.173 63.350 63.100 0.129 0.000 0.768 102 P CB 1.366 33.107 31.700 0.068 0.000 0.842 103 G N 0.848 109.793 108.800 0.241 0.000 2.531 103 G HA2 0.495 4.458 3.960 0.005 0.000 0.281 103 G HA3 0.495 4.458 3.960 0.005 0.000 0.281 103 G C 0.533 175.585 174.900 0.254 0.000 1.382 103 G CA -0.497 44.776 45.100 0.288 0.000 1.045 103 G HN 0.772 nan 8.290 nan 0.000 0.533 104 G N -2.271 106.587 108.800 0.097 0.000 2.130 104 G HA2 -0.118 3.845 3.960 0.005 0.000 0.216 104 G HA3 -0.118 3.845 3.960 0.005 0.000 0.216 104 G C 0.395 175.364 174.900 0.115 0.000 0.999 104 G CA 0.832 45.941 45.100 0.015 0.000 0.686 104 G HN 1.541 nan 8.290 nan 0.000 0.515 105 F N 0.292 120.340 119.950 0.162 0.000 2.668 105 F HA 0.745 5.270 4.527 -0.004 0.000 0.301 105 F C 0.654 176.687 175.800 0.388 0.000 1.106 105 F CA -0.543 57.694 58.000 0.396 0.000 1.289 105 F CB -0.018 39.241 39.000 0.432 0.000 1.006 105 F HN 0.200 nan 8.300 nan 0.000 0.535 106 S N -0.240 115.236 115.700 -0.373 0.000 2.672 106 S HA 0.320 4.793 4.470 0.005 0.000 0.276 106 S C 0.526 175.092 174.600 -0.056 0.000 1.207 106 S CA -0.292 57.554 58.200 -0.591 0.000 1.002 106 S CB 0.580 63.017 63.200 -1.271 0.000 0.998 106 S HN 0.550 nan 8.310 nan 0.000 0.542 107 H N 0.286 119.236 119.070 -0.200 0.000 2.586 107 H HA 0.215 4.776 4.556 0.009 0.000 0.273 107 H C -0.763 174.276 175.328 -0.481 0.000 0.997 107 H CA -0.087 55.712 56.048 -0.415 0.000 1.177 107 H CB 0.408 29.852 29.762 -0.528 0.000 1.471 107 H HN 0.449 nan 8.280 nan 0.000 0.538 108 Y N 0.187 120.510 120.300 0.038 0.000 2.326 108 Y HA 0.240 4.799 4.550 0.015 0.000 0.337 108 Y C 1.161 177.049 175.900 -0.021 0.000 1.023 108 Y CA -0.385 57.742 58.100 0.044 0.000 1.143 108 Y CB 1.288 39.824 38.460 0.127 0.000 1.183 108 Y HN 0.092 nan 8.280 nan 0.000 0.485 109 A N 3.877 126.764 122.820 0.112 0.000 1.940 109 A HA -0.241 4.082 4.320 0.005 0.000 0.219 109 A C 2.221 179.759 177.584 -0.076 0.000 1.176 109 A CA 1.886 53.930 52.037 0.013 0.000 0.631 109 A CB -0.575 18.185 19.000 -0.399 0.000 0.814 109 A HN 0.979 nan 8.150 nan 0.000 0.446 110 M N -1.585 117.916 119.600 -0.165 0.000 2.202 110 M HA -0.175 4.307 4.480 0.005 0.000 0.262 110 M C 1.322 177.533 176.300 -0.148 0.000 1.063 110 M CA 1.675 56.848 55.300 -0.211 0.000 1.097 110 M CB -0.148 32.319 32.600 -0.222 0.000 1.382 110 M HN 0.520 nan 8.290 nan 0.000 0.413 111 Y N -0.689 119.684 120.300 0.123 0.000 2.544 111 Y HA 0.085 4.636 4.550 0.001 0.000 0.286 111 Y C 1.342 177.211 175.900 -0.051 0.000 1.141 111 Y CA 0.705 58.835 58.100 0.051 0.000 1.299 111 Y CB -0.740 37.700 38.460 -0.034 0.000 1.030 111 Y HN 0.419 nan 8.280 nan 0.000 0.543 112 N N -0.659 118.084 118.700 0.071 0.000 2.236 112 N HA 0.105 4.848 4.740 0.005 0.000 0.196 112 N C 1.375 176.934 175.510 0.081 0.000 1.114 112 N CA -0.069 52.983 53.050 0.004 0.000 0.859 112 N CB 0.176 38.596 38.487 -0.111 0.000 0.982 112 N HN 0.202 nan 8.380 nan 0.000 0.493 113 L N 0.821 122.168 121.223 0.206 0.000 1.990 113 L HA -0.239 4.103 4.340 0.005 0.000 0.213 113 L C 2.478 179.464 176.870 0.193 0.000 1.072 113 L CA 1.556 56.556 54.840 0.267 0.000 0.755 113 L CB -0.552 41.564 42.059 0.096 0.000 0.889 113 L HN 0.330 nan 8.230 nan 0.000 0.432 114 S N -1.403 114.378 115.700 0.135 0.000 2.481 114 S HA -0.055 4.418 4.470 0.005 0.000 0.231 114 S C 1.540 176.194 174.600 0.089 0.000 0.996 114 S CA 0.711 58.980 58.200 0.116 0.000 0.942 114 S CB -0.319 62.957 63.200 0.127 0.000 0.768 114 S HN 0.225 nan 8.310 nan 0.000 0.520 115 V N 1.163 121.109 119.914 0.054 0.000 3.541 115 V HA 0.290 4.413 4.120 0.005 0.000 0.267 115 V C 1.064 177.134 176.094 -0.040 0.000 1.213 115 V CA 0.447 62.754 62.300 0.012 0.000 1.149 115 V CB -1.198 30.617 31.823 -0.012 0.000 0.822 115 V HN 0.604 nan 8.190 nan 0.000 0.462 116 L N -0.484 120.712 121.223 -0.046 0.000 4.351 116 L HA -0.181 4.162 4.340 0.005 0.000 0.410 116 L C 0.670 177.263 176.870 -0.462 0.000 1.150 116 L CA 0.199 55.007 54.840 -0.054 0.000 0.961 116 L CB -2.340 39.766 42.059 0.078 0.000 2.130 116 L HN 0.649 nan 8.230 nan 0.000 0.787 117 G N -0.667 107.620 108.800 -0.855 0.000 2.318 117 G HA2 -0.024 3.939 3.960 0.005 0.000 0.367 117 G HA3 -0.024 3.939 3.960 0.005 0.000 0.367 117 G C -0.916 173.749 174.900 -0.392 0.000 1.260 117 G CA -0.286 44.140 45.100 -1.123 0.000 1.055 117 G HN 0.132 nan 8.290 nan 0.000 0.484 118 F N 1.607 121.321 119.950 -0.393 0.000 2.427 118 F HA 0.616 5.096 4.527 -0.079 0.000 0.352 118 F C 0.273 175.994 175.800 -0.132 0.000 1.100 118 F CA -0.452 57.421 58.000 -0.213 0.000 1.191 118 F CB 1.092 39.963 39.000 -0.215 0.000 1.128 118 F HN 0.253 nan 8.300 nan 0.000 0.533 119 Q N 5.962 125.332 119.800 -0.716 0.000 2.506 119 Q HA 0.088 4.431 4.340 0.005 0.000 0.242 119 Q C 0.818 176.391 176.000 -0.711 0.000 1.060 119 Q CA -0.241 55.258 55.803 -0.507 0.000 0.826 119 Q CB 1.215 29.823 28.738 -0.217 0.000 1.169 119 Q HN 0.915 nan 8.270 nan 0.000 0.521 120 E N 1.585 121.384 120.200 -0.668 0.000 2.070 120 E HA -0.284 4.069 4.350 0.005 0.000 0.197 120 E C 1.383 177.925 176.600 -0.096 0.000 1.004 120 E CA 1.659 57.841 56.400 -0.362 0.000 0.805 120 E CB 0.109 29.784 29.700 -0.041 0.000 0.744 120 E HN 0.331 nan 8.360 nan 0.000 0.451 121 K N 0.040 120.377 120.400 -0.105 0.000 2.097 121 K HA -0.091 4.232 4.320 0.005 0.000 0.205 121 K C 2.090 178.655 176.600 -0.058 0.000 1.050 121 K CA 1.769 58.021 56.287 -0.058 0.000 0.938 121 K CB -0.090 32.366 32.500 -0.072 0.000 0.718 121 K HN 0.160 nan 8.250 nan 0.000 0.442 122 T N 0.501 115.012 114.554 -0.072 0.000 2.812 122 T HA -0.116 4.237 4.350 0.005 0.000 0.264 122 T C 1.327 175.991 174.700 -0.060 0.000 1.042 122 T CA 1.201 63.258 62.100 -0.072 0.000 1.140 122 T CB -0.331 68.519 68.868 -0.031 0.000 0.870 122 T HN 0.282 nan 8.240 nan 0.000 0.445 123 F N 2.493 122.369 119.950 -0.123 0.000 2.065 123 F HA -0.192 4.346 4.527 0.018 0.000 0.298 123 F C 1.995 177.793 175.800 -0.003 0.000 1.112 123 F CA 1.663 59.664 58.000 0.002 0.000 1.212 123 F CB -0.545 38.495 39.000 0.066 0.000 0.975 123 F HN 0.173 nan 8.300 nan 0.000 0.476 124 N N 0.045 118.781 118.700 0.059 0.000 2.166 124 N HA -0.165 4.578 4.740 0.005 0.000 0.186 124 N C 1.972 177.388 175.510 -0.156 0.000 1.019 124 N CA 0.849 53.874 53.050 -0.042 0.000 0.856 124 N CB -0.361 38.172 38.487 0.076 0.000 0.993 124 N HN 0.415 nan 8.380 nan 0.000 0.426 125 A N 1.178 123.909 122.820 -0.149 0.000 1.933 125 A HA -0.096 4.227 4.320 0.005 0.000 0.218 125 A C 2.104 179.550 177.584 -0.229 0.000 1.175 125 A CA 0.979 52.913 52.037 -0.172 0.000 0.628 125 A CB -0.525 18.376 19.000 -0.164 0.000 0.814 125 A HN 0.186 nan 8.150 nan 0.000 0.444 126 I N -0.670 119.719 120.570 -0.302 0.000 2.202 126 I HA -0.198 3.975 4.170 0.005 0.000 0.242 126 I C 2.369 178.304 176.117 -0.302 0.000 1.091 126 I CA 1.082 62.177 61.300 -0.342 0.000 1.368 126 I CB -0.364 37.359 38.000 -0.463 0.000 1.058 126 I HN 0.148 nan 8.210 nan 0.000 0.410 127 V N 0.897 120.576 119.914 -0.390 0.000 2.287 127 V HA -0.314 3.808 4.120 0.005 0.000 0.248 127 V C 2.084 178.066 176.094 -0.187 0.000 1.053 127 V CA 2.116 64.227 62.300 -0.314 0.000 1.027 127 V CB -0.678 30.902 31.823 -0.405 0.000 0.646 127 V HN 0.402 nan 8.190 nan 0.000 0.447 128 D N 0.534 120.832 120.400 -0.169 0.000 2.117 128 D HA -0.101 4.542 4.640 0.005 0.000 0.197 128 D C 2.184 178.423 176.300 -0.101 0.000 0.987 128 D CA 1.638 55.573 54.000 -0.109 0.000 0.829 128 D CB -0.609 40.134 40.800 -0.095 0.000 0.961 128 D HN 0.478 nan 8.370 nan 0.000 0.460 129 G N 0.467 109.190 108.800 -0.128 0.000 2.421 129 G HA2 -0.147 3.816 3.960 0.005 0.000 0.217 129 G HA3 -0.147 3.816 3.960 0.005 0.000 0.217 129 G C 1.797 176.644 174.900 -0.089 0.000 1.143 129 G CA 0.109 45.144 45.100 -0.108 0.000 0.784 129 G HN 0.244 nan 8.290 nan 0.000 0.541 130 I N 0.459 120.963 120.570 -0.110 0.000 2.179 130 I HA -0.171 4.002 4.170 0.005 0.000 0.242 130 I C 2.768 178.831 176.117 -0.089 0.000 1.088 130 I CA 0.609 61.851 61.300 -0.096 0.000 1.357 130 I CB -0.250 37.688 38.000 -0.102 0.000 1.051 130 I HN 0.017 nan 8.210 nan 0.000 0.409 131 V N 0.728 120.594 119.914 -0.080 0.000 2.343 131 V HA -0.303 3.820 4.120 0.005 0.000 0.247 131 V C 2.604 178.675 176.094 -0.039 0.000 1.051 131 V CA 1.969 64.236 62.300 -0.055 0.000 1.036 131 V CB -0.813 30.998 31.823 -0.021 0.000 0.654 131 V HN 0.412 nan 8.190 nan 0.000 0.451 132 R N 0.587 121.065 120.500 -0.037 0.000 2.096 132 R HA -0.169 4.174 4.340 0.005 0.000 0.235 132 R C 2.593 178.869 176.300 -0.040 0.000 1.127 132 R CA 1.738 57.824 56.100 -0.024 0.000 0.968 132 R CB -0.281 30.005 30.300 -0.024 0.000 0.861 132 R HN 0.700 nan 8.270 nan 0.000 0.440 133 S N 0.089 115.756 115.700 -0.054 0.000 2.382 133 S HA -0.119 4.354 4.470 0.005 0.000 0.228 133 S C 1.981 176.513 174.600 -0.113 0.000 1.027 133 S CA 1.109 59.265 58.200 -0.073 0.000 0.991 133 S CB -0.359 62.802 63.200 -0.064 0.000 0.823 133 S HN 0.358 nan 8.310 nan 0.000 0.469 134 I N 1.820 122.313 120.570 -0.127 0.000 2.286 134 I HA -0.101 4.071 4.170 0.005 0.000 0.245 134 I C 2.842 178.865 176.117 -0.156 0.000 1.104 134 I CA 1.367 62.562 61.300 -0.175 0.000 1.397 134 I CB -0.409 37.421 38.000 -0.284 0.000 1.072 134 I HN 0.350 nan 8.210 nan 0.000 0.417 135 E N 0.797 120.927 120.200 -0.117 0.000 2.085 135 E HA -0.237 4.116 4.350 0.005 0.000 0.194 135 E C 2.352 178.904 176.600 -0.079 0.000 0.994 135 E CA 1.177 57.521 56.400 -0.093 0.000 0.801 135 E CB -0.082 29.626 29.700 0.013 0.000 0.743 135 E HN 0.441 nan 8.360 nan 0.000 0.453 136 R N 0.412 120.868 120.500 -0.073 0.000 2.075 136 R HA -0.071 4.272 4.340 0.005 0.000 0.232 136 R C 2.412 178.652 176.300 -0.099 0.000 1.126 136 R CA 1.087 57.142 56.100 -0.076 0.000 0.963 136 R CB -0.307 29.948 30.300 -0.074 0.000 0.858 136 R HN 0.102 nan 8.270 nan 0.000 0.435 137 A N 1.997 124.743 122.820 -0.123 0.000 1.877 137 A HA -0.253 4.070 4.320 0.005 0.000 0.216 137 A C 2.177 179.711 177.584 -0.084 0.000 1.186 137 A CA 1.714 53.673 52.037 -0.131 0.000 0.620 137 A CB -0.628 18.276 19.000 -0.160 0.000 0.822 137 A HN 0.530 nan 8.150 nan 0.000 0.443 138 Q N -0.896 118.861 119.800 -0.073 0.000 2.291 138 Q HA 0.122 4.465 4.340 0.005 0.000 0.205 138 Q C 1.697 177.659 176.000 -0.064 0.000 0.970 138 Q CA 1.231 57.002 55.803 -0.053 0.000 0.876 138 Q CB -0.386 28.318 28.738 -0.057 0.000 0.935 138 Q HN 0.494 nan 8.270 nan 0.000 0.455 139 A N 1.094 123.873 122.820 -0.068 0.000 2.238 139 A HA 0.085 4.408 4.320 0.005 0.000 0.208 139 A C 1.347 178.898 177.584 -0.056 0.000 1.177 139 A CA 0.075 52.081 52.037 -0.053 0.000 0.804 139 A CB 0.055 19.030 19.000 -0.042 0.000 0.823 139 A HN 0.295 nan 8.150 nan 0.000 0.482 140 R N -0.686 119.774 120.500 -0.066 0.000 2.613 140 R HA 0.355 4.698 4.340 0.005 0.000 0.361 140 R C -0.766 175.482 176.300 -0.087 0.000 1.072 140 R CA -0.330 55.727 56.100 -0.072 0.000 1.089 140 R CB 0.202 30.455 30.300 -0.079 0.000 1.343 140 R HN 0.332 nan 8.270 nan 0.000 0.571 141 L N 2.737 123.911 121.223 -0.081 0.000 2.525 141 L HA -0.045 4.298 4.340 0.005 0.000 0.278 141 L C 0.405 177.179 176.870 -0.160 0.000 1.218 141 L CA 0.860 55.639 54.840 -0.103 0.000 0.878 141 L CB 0.289 42.309 42.059 -0.065 0.000 1.127 141 L HN 0.270 nan 8.230 nan 0.000 0.492 142 Q N 3.897 123.525 119.800 -0.287 0.000 2.377 142 Q HA 0.564 4.907 4.340 0.005 0.000 0.279 142 Q C -2.866 172.885 176.000 -0.416 0.000 1.049 142 Q CA -2.195 53.413 55.803 -0.325 0.000 0.825 142 Q CB 2.185 30.711 28.738 -0.354 0.000 1.401 142 Q HN 0.206 nan 8.270 nan 0.000 0.404 143 P HA 0.370 nan 4.420 nan 0.000 0.271 143 P C -0.357 176.847 177.300 -0.160 0.000 1.218 143 P CA 0.420 63.426 63.100 -0.157 0.000 0.780 143 P CB 1.152 32.810 31.700 -0.071 0.000 0.901 144 G N 1.625 110.439 108.800 0.023 0.000 2.488 144 G HA2 0.505 4.468 3.960 0.005 0.000 0.301 144 G HA3 0.505 4.468 3.960 0.005 0.000 0.301 144 G C -1.600 173.532 174.900 0.386 0.000 1.339 144 G CA -0.861 44.404 45.100 0.274 0.000 0.803 144 G HN 0.410 nan 8.290 nan 0.000 0.482 145 R N -1.068 119.693 120.500 0.435 0.000 2.778 145 R HA 0.713 5.056 4.340 0.005 0.000 0.277 145 R C -1.392 175.030 176.300 0.202 0.000 0.977 145 R CA -0.813 55.463 56.100 0.294 0.000 0.950 145 R CB 2.003 32.463 30.300 0.267 0.000 1.165 145 R HN 0.245 nan 8.270 nan 0.000 0.474 146 L N 2.402 123.594 121.223 -0.051 0.000 2.341 146 L HA 0.519 4.862 4.340 0.005 0.000 0.278 146 L C -1.049 175.567 176.870 -0.423 0.000 1.005 146 L CA -0.176 54.501 54.840 -0.272 0.000 0.818 146 L CB 1.164 42.957 42.059 -0.444 0.000 1.259 146 L HN 0.483 nan 8.230 nan 0.000 0.418 147 F N 2.399 122.254 119.950 -0.159 0.000 2.561 147 F HA 0.515 5.045 4.527 0.004 0.000 0.321 147 F C -0.631 175.130 175.800 -0.065 0.000 1.065 147 F CA -0.744 57.214 58.000 -0.070 0.000 0.934 147 F CB 1.868 40.836 39.000 -0.053 0.000 1.215 147 F HN 0.319 nan 8.300 nan 0.000 0.471 148 Y N 0.670 120.990 120.300 0.033 0.000 2.446 148 Y HA 0.799 5.352 4.550 0.004 0.000 0.345 148 Y C -0.435 175.437 175.900 -0.047 0.000 0.984 148 Y CA -0.791 57.274 58.100 -0.058 0.000 1.058 148 Y CB 1.948 40.322 38.460 -0.144 0.000 1.220 148 Y HN 0.674 nan 8.280 nan 0.000 0.455 149 G N 1.909 110.193 108.800 -0.859 0.000 2.684 149 G HA2 0.562 4.525 3.960 0.005 0.000 0.290 149 G HA3 0.562 4.525 3.960 0.005 0.000 0.290 149 G C -1.804 172.642 174.900 -0.756 0.000 1.425 149 G CA -0.617 44.124 45.100 -0.597 0.000 0.822 149 G HN 1.002 nan 8.290 nan 0.000 0.482 150 S N -1.404 114.086 115.700 -0.349 0.000 2.618 150 S HA 0.959 5.431 4.470 0.005 0.000 0.277 150 S C -0.217 174.344 174.600 -0.066 0.000 1.138 150 S CA -0.061 58.030 58.200 -0.182 0.000 0.844 150 S CB 2.019 65.181 63.200 -0.062 0.000 1.127 150 S HN 2.211 nan 8.310 nan 0.000 0.474 151 G N -0.191 108.599 108.800 -0.016 0.000 2.608 151 G HA2 0.520 4.483 3.960 0.005 0.000 0.291 151 G HA3 0.520 4.483 3.960 0.005 0.000 0.291 151 G C -2.082 172.839 174.900 0.035 0.000 1.425 151 G CA -0.711 44.388 45.100 -0.002 0.000 0.787 151 G HN 0.866 nan 8.290 nan 0.000 0.484 152 E N -0.148 120.069 120.200 0.027 0.000 2.109 152 E HA 0.463 4.815 4.350 0.005 0.000 0.278 152 E C -1.233 175.383 176.600 0.026 0.000 0.954 152 E CA -0.708 55.725 56.400 0.054 0.000 0.779 152 E CB 1.373 31.096 29.700 0.038 0.000 1.093 152 E HN 0.316 nan 8.360 nan 0.000 0.401 153 L N 5.976 127.226 121.223 0.046 0.000 2.276 153 L HA 0.360 4.703 4.340 0.005 0.000 0.286 153 L C 0.561 177.472 176.870 0.068 0.000 1.024 153 L CA -0.006 54.800 54.840 -0.057 0.000 0.826 153 L CB 0.849 42.665 42.059 -0.404 0.000 1.211 153 L HN 0.617 nan 8.230 nan 0.000 0.422 154 R N 2.529 123.055 120.500 0.042 0.000 2.080 154 R HA 0.101 4.444 4.340 0.005 0.000 0.222 154 R C 0.520 176.874 176.300 0.089 0.000 1.107 154 R CA 0.947 57.092 56.100 0.074 0.000 0.980 154 R CB 0.114 30.438 30.300 0.039 0.000 0.879 154 R HN 0.637 nan 8.270 nan 0.000 0.439 155 N N -0.332 118.405 118.700 0.062 0.000 2.235 155 N HA 0.158 4.901 4.740 0.005 0.000 0.231 155 N C 0.223 175.776 175.510 0.071 0.000 1.177 155 N CA -0.023 53.060 53.050 0.055 0.000 0.874 155 N CB 0.959 39.458 38.487 0.021 0.000 1.097 155 N HN 0.152 nan 8.380 nan 0.000 0.518 156 A N -0.908 121.985 122.820 0.122 0.000 2.115 156 A HA 0.308 4.631 4.320 0.005 0.000 0.211 156 A C 0.679 178.406 177.584 0.238 0.000 1.169 156 A CA 0.458 52.591 52.037 0.159 0.000 0.787 156 A CB 0.010 19.085 19.000 0.125 0.000 0.858 156 A HN 0.320 nan 8.150 nan 0.000 0.474 157 S N -0.500 115.353 115.700 0.255 0.000 2.661 157 S HA 0.801 5.274 4.470 0.005 0.000 0.285 157 S C -0.608 174.075 174.600 0.137 0.000 1.138 157 S CA -0.836 57.490 58.200 0.210 0.000 0.855 157 S CB 1.636 64.969 63.200 0.222 0.000 1.136 157 S HN 0.731 nan 8.310 nan 0.000 0.484 158 R N 0.409 120.972 120.500 0.105 0.000 2.680 158 R HA 0.496 4.838 4.340 0.005 0.000 0.269 158 R C -1.641 174.691 176.300 0.053 0.000 1.026 158 R CA -0.828 55.315 56.100 0.071 0.000 0.889 158 R CB 0.975 31.313 30.300 0.062 0.000 1.241 158 R HN 0.589 nan 8.270 nan 0.000 0.463 159 N N 1.613 120.326 118.700 0.023 0.000 2.458 159 N HA 0.046 4.789 4.740 0.005 0.000 0.270 159 N C 0.307 175.832 175.510 0.025 0.000 1.102 159 N CA -0.234 52.819 53.050 0.005 0.000 0.967 159 N CB 1.110 39.557 38.487 -0.066 0.000 1.078 159 N HN 0.764 nan 8.380 nan 0.000 0.471 160 R N 1.126 121.647 120.500 0.034 0.000 2.317 160 R HA 0.200 4.543 4.340 0.005 0.000 0.208 160 R C -0.232 176.085 176.300 0.027 0.000 0.914 160 R CA -0.021 56.093 56.100 0.023 0.000 1.060 160 R CB 0.259 30.558 30.300 -0.001 0.000 1.015 160 R HN 0.187 nan 8.270 nan 0.000 0.498 161 S N 1.108 116.834 115.700 0.044 0.000 2.399 161 S HA 0.163 4.636 4.470 0.005 0.000 0.198 161 S C 0.124 174.769 174.600 0.076 0.000 1.294 161 S CA -0.532 57.701 58.200 0.054 0.000 1.237 161 S CB 0.971 64.209 63.200 0.062 0.000 1.286 161 S HN 0.157 nan 8.310 nan 0.000 0.404 162 L N 1.910 123.174 121.223 0.067 0.000 2.141 162 L HA 0.124 4.467 4.340 0.005 0.000 0.209 162 L C 1.798 178.739 176.870 0.118 0.000 1.094 162 L CA 1.571 56.469 54.840 0.097 0.000 0.763 162 L CB -0.444 41.657 42.059 0.070 0.000 0.908 162 L HN 0.636 nan 8.230 nan 0.000 0.437 163 L N -1.623 119.646 121.223 0.077 0.000 2.042 163 L HA -0.236 4.107 4.340 0.005 0.000 0.210 163 L C 2.331 179.239 176.870 0.062 0.000 1.076 163 L CA 1.831 56.707 54.840 0.060 0.000 0.749 163 L CB -0.252 41.829 42.059 0.037 0.000 0.893 163 L HN 0.244 nan 8.230 nan 0.000 0.432 164 S N -1.460 114.281 115.700 0.068 0.000 2.387 164 S HA -0.226 4.247 4.470 0.005 0.000 0.226 164 S C 1.793 176.442 174.600 0.081 0.000 1.026 164 S CA 1.175 59.409 58.200 0.057 0.000 0.972 164 S CB -0.466 62.763 63.200 0.048 0.000 0.814 164 S HN 0.690 nan 8.310 nan 0.000 0.477 165 H N 1.641 120.729 119.070 0.030 0.000 2.352 165 H HA 0.081 4.639 4.556 0.004 0.000 0.299 165 H C 1.620 176.971 175.328 0.038 0.000 1.097 165 H CA 1.381 57.450 56.048 0.035 0.000 1.311 165 H CB -0.332 29.458 29.762 0.047 0.000 1.377 165 H HN 0.265 nan 8.280 nan 0.000 0.504 166 L N 0.136 121.391 121.223 0.053 0.000 2.551 166 L HA -0.075 4.268 4.340 0.005 0.000 0.228 166 L C 1.765 178.618 176.870 -0.029 0.000 1.153 166 L CA 0.485 55.328 54.840 0.004 0.000 0.851 166 L CB -0.178 41.923 42.059 0.069 0.000 0.959 166 L HN 0.192 nan 8.230 nan 0.000 0.451 167 K N -0.252 120.131 120.400 -0.028 0.000 2.432 167 K HA 0.078 4.401 4.320 0.005 0.000 0.196 167 K C 0.310 176.885 176.600 -0.041 0.000 1.038 167 K CA 0.158 56.431 56.287 -0.022 0.000 0.986 167 K CB -0.300 32.196 32.500 -0.007 0.000 0.782 167 K HN 0.333 nan 8.250 nan 0.000 0.485 168 N N 2.553 121.198 118.700 -0.093 0.000 2.520 168 N HA 0.027 4.770 4.740 0.005 0.000 0.273 168 N C -1.728 173.744 175.510 -0.062 0.000 1.155 168 N CA -0.860 52.136 53.050 -0.090 0.000 0.967 168 N CB 1.010 39.401 38.487 -0.161 0.000 1.092 168 N HN -0.021 nan 8.380 nan 0.000 0.457 169 P HA 0.005 nan 4.420 nan 0.000 0.241 169 P C -0.306 176.996 177.300 0.003 0.000 1.191 169 P CA 0.776 63.873 63.100 -0.005 0.000 0.771 169 P CB 0.287 31.993 31.700 0.009 0.000 0.929 170 D N 0.381 120.779 120.400 -0.003 0.000 3.010 170 D HA 0.069 4.712 4.640 0.005 0.000 0.347 170 D C 0.703 177.035 176.300 0.054 0.000 1.340 170 D CA -0.605 53.411 54.000 0.026 0.000 0.858 170 D CB -0.784 40.033 40.800 0.029 0.000 1.111 170 D HN 0.283 nan 8.370 nan 0.000 0.482 171 I N -3.203 117.400 120.570 0.056 0.000 3.889 171 I HA 0.523 4.695 4.170 0.005 0.000 0.332 171 I C 0.446 176.691 176.117 0.214 0.000 1.493 171 I CA -0.819 60.566 61.300 0.141 0.000 1.158 171 I CB 0.395 38.409 38.000 0.022 0.000 1.117 171 I HN -0.020 nan 8.210 nan 0.000 0.411 172 A N 1.534 124.441 122.820 0.143 0.000 2.546 172 A HA 0.437 4.759 4.320 0.005 0.000 0.243 172 A C 1.560 179.157 177.584 0.021 0.000 1.063 172 A CA 0.790 52.875 52.037 0.081 0.000 0.757 172 A CB -0.521 18.510 19.000 0.052 0.000 0.991 172 A HN 1.218 nan 8.150 nan 0.000 0.503 173 G N 0.926 109.665 108.800 -0.100 0.000 2.199 173 G HA2 -0.281 3.682 3.960 0.005 0.000 0.254 173 G HA3 -0.281 3.682 3.960 0.005 0.000 0.254 173 G C 0.122 174.632 174.900 -0.650 0.000 0.982 173 G CA 0.920 45.793 45.100 -0.378 0.000 0.632 173 G HN 1.092 nan 8.290 nan 0.000 0.529 174 Y N 0.089 120.456 120.300 0.112 0.000 2.712 174 Y HA 0.368 4.921 4.550 0.005 0.000 0.250 174 Y C 1.533 177.570 175.900 0.228 0.000 1.101 174 Y CA -0.243 57.954 58.100 0.162 0.000 1.118 174 Y CB 0.531 39.129 38.460 0.229 0.000 1.203 174 Y HN 0.208 nan 8.280 nan 0.000 0.587 175 E N 0.820 121.148 120.200 0.213 0.000 2.338 175 E HA -0.145 4.208 4.350 0.005 0.000 0.197 175 E C 0.786 177.482 176.600 0.159 0.000 1.007 175 E CA 1.292 57.804 56.400 0.187 0.000 0.849 175 E CB 0.124 29.887 29.700 0.104 0.000 0.774 175 E HN 0.704 nan 8.360 nan 0.000 0.506 176 D N -0.626 119.845 120.400 0.119 0.000 2.340 176 D HA 0.018 4.661 4.640 0.005 0.000 0.220 176 D C 1.348 177.663 176.300 0.025 0.000 1.039 176 D CA 0.737 54.782 54.000 0.074 0.000 0.866 176 D CB 0.029 40.865 40.800 0.060 0.000 0.913 176 D HN 0.152 nan 8.370 nan 0.000 0.523 177 G N 0.024 108.801 108.800 -0.039 0.000 2.179 177 G HA2 -0.236 3.727 3.960 0.005 0.000 0.260 177 G HA3 -0.236 3.727 3.960 0.005 0.000 0.260 177 G C -0.035 174.699 174.900 -0.277 0.000 0.977 177 G CA 0.300 45.122 45.100 -0.464 0.000 0.641 177 G HN 0.347 nan 8.290 nan 0.000 0.533 178 I N 1.016 121.573 120.570 -0.022 0.000 2.437 178 I HA 0.428 4.601 4.170 0.005 0.000 0.298 178 I C -0.436 175.803 176.117 0.202 0.000 0.984 178 I CA -1.668 59.674 61.300 0.069 0.000 1.214 178 I CB 1.641 39.702 38.000 0.103 0.000 1.365 178 I HN 0.088 nan 8.210 nan 0.000 0.469 179 D N 8.237 128.735 120.400 0.164 0.000 2.428 179 D HA 0.306 4.949 4.640 0.005 0.000 0.221 179 D C -1.805 174.632 176.300 0.227 0.000 1.123 179 D CA -1.992 52.169 54.000 0.268 0.000 0.869 179 D CB 1.567 42.446 40.800 0.132 0.000 1.032 179 D HN 0.214 nan 8.370 nan 0.000 0.506 180 P HA -0.004 nan 4.420 nan 0.000 0.255 180 P C 0.230 177.770 177.300 0.399 0.000 1.248 180 P CA 0.056 63.364 63.100 0.347 0.000 0.807 180 P CB 0.299 32.117 31.700 0.197 0.000 1.150 181 Q N 0.940 120.936 119.800 0.328 0.000 2.293 181 Q HA 0.303 4.646 4.340 0.005 0.000 0.263 181 Q C -0.419 175.830 176.000 0.415 0.000 1.002 181 Q CA -0.130 55.847 55.803 0.291 0.000 0.910 181 Q CB 0.275 29.149 28.738 0.227 0.000 1.185 181 Q HN 0.056 nan 8.270 nan 0.000 0.401 182 M N 3.163 122.965 119.600 0.336 0.000 2.268 182 M HA 0.396 4.879 4.480 0.005 0.000 0.344 182 M C -1.295 175.100 176.300 0.158 0.000 1.106 182 M CA -0.238 55.252 55.300 0.317 0.000 1.010 182 M CB 1.524 34.220 32.600 0.160 0.000 1.649 182 M HN 0.536 nan 8.290 nan 0.000 0.443 183 S N 3.215 119.036 115.700 0.201 0.000 2.501 183 S HA 0.769 5.242 4.470 0.005 0.000 0.301 183 S C -1.090 173.575 174.600 0.109 0.000 1.096 183 S CA -0.762 57.470 58.200 0.054 0.000 1.063 183 S CB 1.980 65.288 63.200 0.179 0.000 1.042 183 S HN 0.596 nan 8.310 nan 0.000 0.494 184 V N 3.192 123.016 119.914 -0.150 0.000 2.577 184 V HA 0.436 4.558 4.120 0.005 0.000 0.303 184 V C -1.005 175.028 176.094 -0.101 0.000 1.042 184 V CA -0.722 61.527 62.300 -0.085 0.000 0.872 184 V CB 1.611 33.373 31.823 -0.101 0.000 0.998 184 V HN 0.714 nan 8.190 nan 0.000 0.423 185 L N 4.655 125.889 121.223 0.018 0.000 2.257 185 L HA 0.631 4.973 4.340 0.005 0.000 0.290 185 L C 0.240 176.942 176.870 -0.279 0.000 1.044 185 L CA 0.709 55.493 54.840 -0.093 0.000 0.810 185 L CB 1.349 43.396 42.059 -0.021 0.000 1.193 185 L HN 0.684 nan 8.230 nan 0.000 0.425 186 S N 4.952 120.492 115.700 -0.267 0.000 2.541 186 S HA 0.605 5.078 4.470 0.005 0.000 0.283 186 S C -0.784 173.569 174.600 -0.412 0.000 1.196 186 S CA -0.190 57.900 58.200 -0.183 0.000 1.062 186 S CB 0.619 63.809 63.200 -0.018 0.000 1.009 186 S HN 0.370 nan 8.310 nan 0.000 0.502 187 F N 1.808 121.592 119.950 -0.276 0.000 2.375 187 F HA 0.443 4.973 4.527 0.005 0.000 0.361 187 F C -0.155 175.476 175.800 -0.282 0.000 1.117 187 F CA -0.781 56.880 58.000 -0.565 0.000 1.037 187 F CB 1.058 39.360 39.000 -1.164 0.000 1.192 187 F HN 0.158 nan 8.300 nan 0.000 0.452 188 V N 3.740 123.759 119.914 0.175 0.000 2.417 188 V HA 0.264 4.387 4.120 0.005 0.000 0.291 188 V C -0.248 176.145 176.094 0.497 0.000 1.024 188 V CA -0.874 61.615 62.300 0.314 0.000 0.861 188 V CB 1.452 33.461 31.823 0.310 0.000 0.985 188 V HN 0.705 nan 8.190 nan 0.000 0.436 189 D N 4.567 125.224 120.400 0.428 0.000 2.433 189 D HA 0.311 4.954 4.640 0.005 0.000 0.255 189 D C 1.216 177.634 176.300 0.198 0.000 1.226 189 D CA -0.039 54.166 54.000 0.342 0.000 1.015 189 D CB 1.107 42.061 40.800 0.256 0.000 1.091 189 D HN 0.472 nan 8.370 nan 0.000 0.527 190 A N -0.180 122.705 122.820 0.108 0.000 2.225 190 A HA -0.160 4.163 4.320 0.005 0.000 0.215 190 A C 1.339 178.968 177.584 0.074 0.000 1.164 190 A CA 0.702 52.785 52.037 0.076 0.000 0.710 190 A CB -0.787 18.231 19.000 0.030 0.000 0.780 190 A HN 0.516 nan 8.150 nan 0.000 0.473 191 N N 0.627 119.378 118.700 0.084 0.000 2.398 191 N HA 0.013 4.755 4.740 0.005 0.000 0.188 191 N C 0.959 176.513 175.510 0.073 0.000 1.122 191 N CA 0.663 53.755 53.050 0.071 0.000 0.866 191 N CB -0.163 38.362 38.487 0.063 0.000 0.970 191 N HN 0.403 nan 8.380 nan 0.000 0.462 192 G N 1.350 110.204 108.800 0.089 0.000 2.326 192 G HA2 -0.106 3.857 3.960 0.005 0.000 0.286 192 G HA3 -0.106 3.857 3.960 0.005 0.000 0.286 192 G C 0.024 174.977 174.900 0.088 0.000 0.927 192 G CA 0.138 45.306 45.100 0.113 0.000 1.553 192 G HN 0.275 nan 8.290 nan 0.000 0.415 193 E N 1.836 122.105 120.200 0.114 0.000 2.214 193 E HA 0.376 4.728 4.350 0.005 0.000 0.274 193 E C -0.172 176.526 176.600 0.163 0.000 0.977 193 E CA -1.106 55.364 56.400 0.117 0.000 0.827 193 E CB 1.035 30.804 29.700 0.115 0.000 1.130 193 E HN 0.281 nan 8.360 nan 0.000 0.394 194 L N 4.147 125.472 121.223 0.171 0.000 2.500 194 L HA 0.170 4.513 4.340 0.005 0.000 0.272 194 L C 0.421 177.493 176.870 0.337 0.000 1.149 194 L CA 0.738 55.720 54.840 0.236 0.000 0.897 194 L CB 0.774 42.995 42.059 0.271 0.000 1.178 194 L HN 0.745 nan 8.230 nan 0.000 0.473 195 A N 3.613 126.549 122.820 0.194 0.000 2.115 195 A HA 0.666 4.989 4.320 0.005 0.000 0.211 195 A C 0.866 178.155 177.584 -0.492 0.000 1.169 195 A CA 0.749 52.831 52.037 0.075 0.000 0.787 195 A CB -0.181 18.954 19.000 0.226 0.000 0.858 195 A HN 0.871 nan 8.150 nan 0.000 0.474 196 G N -2.717 105.690 108.800 -0.654 0.000 2.441 196 G HA2 0.664 4.627 3.960 0.005 0.000 0.294 196 G HA3 0.664 4.627 3.960 0.005 0.000 0.294 196 G C -1.389 173.222 174.900 -0.482 0.000 1.393 196 G CA 0.168 44.571 45.100 -1.162 0.000 0.796 196 G HN 1.346 nan 8.290 nan 0.000 0.494 197 A N -0.778 121.790 122.820 -0.420 0.000 2.605 197 A HA 0.760 5.082 4.320 0.005 0.000 0.294 197 A C -1.542 175.812 177.584 -0.384 0.000 1.062 197 A CA -0.539 51.356 52.037 -0.237 0.000 0.682 197 A CB 1.061 19.838 19.000 -0.371 0.000 1.278 197 A HN 1.062 nan 8.150 nan 0.000 0.410 198 I N 1.522 121.798 120.570 -0.490 0.000 2.389 198 I HA 0.497 4.670 4.170 0.005 0.000 0.288 198 I C 0.337 175.953 176.117 -0.835 0.000 0.999 198 I CA -0.531 60.243 61.300 -0.877 0.000 1.129 198 I CB 2.082 39.278 38.000 -1.340 0.000 1.288 198 I HN 0.558 nan 8.210 nan 0.000 0.444 199 S N 6.743 121.948 115.700 -0.825 0.000 2.462 199 S HA 0.507 4.980 4.470 0.005 0.000 0.294 199 S C -1.270 173.087 174.600 -0.404 0.000 1.144 199 S CA -0.507 57.380 58.200 -0.521 0.000 1.088 199 S CB 0.811 63.631 63.200 -0.634 0.000 1.009 199 S HN 0.527 nan 8.310 nan 0.000 0.484 200 W N 5.422 126.732 121.300 0.018 0.000 2.417 200 W HA 0.560 5.223 4.660 0.004 0.000 0.315 200 W C -0.966 175.713 176.519 0.266 0.000 1.045 200 W CA -0.985 56.431 57.345 0.119 0.000 1.221 200 W CB 1.432 30.930 29.460 0.064 0.000 1.309 200 W HN 0.705 nan 8.180 nan 0.000 0.453 201 F N 6.058 126.200 119.950 0.321 0.000 2.622 201 F HA 0.400 4.930 4.527 0.004 0.000 0.318 201 F C -2.609 173.345 175.800 0.257 0.000 1.135 201 F CA -2.013 56.146 58.000 0.265 0.000 1.015 201 F CB 2.204 41.349 39.000 0.241 0.000 1.275 201 F HN -0.061 nan 8.300 nan 0.000 0.457 202 P HA 0.421 nan 4.420 nan 0.000 0.293 202 P C -1.553 175.491 177.300 -0.427 0.000 1.313 202 P CA -0.330 62.587 63.100 -0.305 0.000 0.787 202 P CB 2.110 33.722 31.700 -0.147 0.000 0.910 203 V N 4.440 124.325 119.914 -0.049 0.000 2.851 203 V HA 0.196 4.318 4.120 0.005 0.000 0.290 203 V C -1.022 175.185 176.094 0.189 0.000 1.330 203 V CA -0.624 61.742 62.300 0.109 0.000 0.944 203 V CB 1.387 33.346 31.823 0.226 0.000 1.090 203 V HN 0.550 nan 8.190 nan 0.000 0.436 204 H N 3.091 122.260 119.070 0.165 0.000 3.064 204 H HA 0.183 4.742 4.556 0.004 0.000 0.329 204 H C 0.801 176.177 175.328 0.080 0.000 1.020 204 H CA 1.357 57.502 56.048 0.162 0.000 1.402 204 H CB 0.846 30.683 29.762 0.125 0.000 1.379 204 H HN 0.642 nan 8.280 nan 0.000 0.594 205 S N 2.570 118.323 115.700 0.089 0.000 3.965 205 S HA 0.068 4.541 4.470 0.005 0.000 0.195 205 S C 0.475 175.081 174.600 0.010 0.000 1.449 205 S CA -0.010 58.236 58.200 0.076 0.000 0.965 205 S CB -0.297 62.952 63.200 0.080 0.000 1.459 205 S HN 0.812 nan 8.310 nan 0.000 0.476 206 T N -2.907 111.648 114.554 0.001 0.000 3.288 206 T HA 0.195 4.548 4.350 0.005 0.000 0.293 206 T C 1.342 176.087 174.700 0.076 0.000 1.008 206 T CA -0.417 61.660 62.100 -0.039 0.000 0.929 206 T CB 0.172 68.962 68.868 -0.131 0.000 1.152 206 T HN 0.183 nan 8.240 nan 0.000 0.517 207 S N 1.977 117.723 115.700 0.076 0.000 2.382 207 S HA 0.117 4.590 4.470 0.005 0.000 0.228 207 S C 0.988 175.605 174.600 0.028 0.000 1.027 207 S CA 0.710 58.947 58.200 0.063 0.000 0.991 207 S CB -0.302 62.941 63.200 0.072 0.000 0.823 207 S HN 0.471 nan 8.310 nan 0.000 0.469 208 M N 2.972 122.594 119.600 0.037 0.000 2.146 208 M HA 0.202 4.685 4.480 0.005 0.000 0.352 208 M C 0.689 177.027 176.300 0.063 0.000 1.343 208 M CA -0.066 55.217 55.300 -0.028 0.000 1.115 208 M CB 0.093 32.682 32.600 -0.018 0.000 1.657 208 M HN 0.255 nan 8.290 nan 0.000 0.471 209 T N -0.477 114.034 114.554 -0.072 0.000 2.810 209 T HA 0.256 4.609 4.350 0.005 0.000 0.277 209 T C 1.146 175.618 174.700 -0.379 0.000 0.973 209 T CA -0.551 61.412 62.100 -0.229 0.000 0.949 209 T CB 0.475 69.196 68.868 -0.244 0.000 1.075 209 T HN 0.781 nan 8.240 nan 0.000 0.537 210 N N -0.106 118.083 118.700 -0.851 0.000 2.609 210 N HA -0.011 4.731 4.740 0.005 0.000 0.190 210 N C 1.689 176.998 175.510 -0.335 0.000 1.157 210 N CA 0.323 52.993 53.050 -0.633 0.000 0.918 210 N CB -0.152 37.910 38.487 -0.709 0.000 0.978 210 N HN 0.646 nan 8.380 nan 0.000 0.448 211 A N 0.699 123.347 122.820 -0.287 0.000 2.169 211 A HA -0.008 4.314 4.320 0.005 0.000 0.212 211 A C 0.751 178.185 177.584 -0.250 0.000 1.153 211 A CA 0.025 51.937 52.037 -0.208 0.000 0.756 211 A CB -0.352 18.573 19.000 -0.125 0.000 0.813 211 A HN 0.475 nan 8.150 nan 0.000 0.471 212 N N -0.950 117.591 118.700 -0.264 0.000 2.498 212 N HA 0.331 5.074 4.740 0.005 0.000 0.287 212 N C 0.017 175.354 175.510 -0.289 0.000 1.097 212 N CA -0.136 52.803 53.050 -0.186 0.000 0.973 212 N CB 0.506 38.905 38.487 -0.147 0.000 1.153 212 N HN 0.264 nan 8.380 nan 0.000 0.472 213 H N 1.261 120.358 119.070 0.045 0.000 2.893 213 H HA 0.346 4.904 4.556 0.003 0.000 0.270 213 H C -0.525 174.849 175.328 0.076 0.000 1.095 213 H CA -0.294 55.792 56.048 0.063 0.000 1.186 213 H CB 0.421 30.213 29.762 0.051 0.000 1.562 213 H HN 0.249 nan 8.280 nan 0.000 0.536 214 L N 1.622 122.948 121.223 0.171 0.000 2.326 214 L HA 0.265 4.607 4.340 0.005 0.000 0.278 214 L C 0.088 177.055 176.870 0.162 0.000 1.092 214 L CA -0.548 54.395 54.840 0.172 0.000 0.810 214 L CB 1.509 43.693 42.059 0.208 0.000 1.153 214 L HN 0.133 nan 8.230 nan 0.000 0.439 215 I N 2.294 122.956 120.570 0.153 0.000 2.683 215 I HA -0.014 4.158 4.170 0.005 0.000 0.286 215 I C 0.585 176.792 176.117 0.149 0.000 1.175 215 I CA 0.947 62.323 61.300 0.126 0.000 1.429 215 I CB 0.811 38.866 38.000 0.092 0.000 1.371 215 I HN 0.598 nan 8.210 nan 0.000 0.569 216 S N 7.518 123.295 115.700 0.128 0.000 2.535 216 S HA 0.469 4.942 4.470 0.005 0.000 0.272 216 S C -2.311 172.365 174.600 0.126 0.000 1.149 216 S CA -1.053 57.235 58.200 0.146 0.000 0.888 216 S CB 2.156 65.479 63.200 0.205 0.000 1.110 216 S HN 0.425 nan 8.310 nan 0.000 0.463 217 P HA 0.168 nan 4.420 nan 0.000 0.257 217 P C 0.384 177.786 177.300 0.170 0.000 1.281 217 P CA 0.380 63.569 63.100 0.148 0.000 0.826 217 P CB -0.448 31.364 31.700 0.186 0.000 1.237 218 D N 0.932 121.449 120.400 0.195 0.000 3.605 218 D HA -0.230 4.413 4.640 0.005 0.000 0.258 218 D C 0.834 177.260 176.300 0.209 0.000 1.916 218 D CA 1.695 55.811 54.000 0.193 0.000 1.155 218 D CB -0.995 39.889 40.800 0.140 0.000 0.854 218 D HN 0.167 nan 8.370 nan 0.000 1.047 219 N N 0.585 119.384 118.700 0.166 0.000 2.188 219 N HA -0.108 4.635 4.740 0.005 0.000 0.184 219 N C 1.603 177.188 175.510 0.126 0.000 1.018 219 N CA 2.018 55.158 53.050 0.150 0.000 0.858 219 N CB -0.227 38.330 38.487 0.118 0.000 0.989 219 N HN 0.331 nan 8.380 nan 0.000 0.426 220 K N -0.237 120.244 120.400 0.134 0.000 2.097 220 K HA 0.032 4.354 4.320 0.005 0.000 0.205 220 K C 2.173 178.848 176.600 0.125 0.000 1.050 220 K CA 1.161 57.521 56.287 0.123 0.000 0.938 220 K CB -0.414 32.220 32.500 0.224 0.000 0.718 220 K HN 0.419 nan 8.250 nan 0.000 0.442 221 G N 0.316 109.223 108.800 0.178 0.000 2.408 221 G HA2 -0.283 3.679 3.960 0.005 0.000 0.217 221 G HA3 -0.283 3.679 3.960 0.005 0.000 0.217 221 G C 1.384 176.400 174.900 0.194 0.000 1.150 221 G CA 0.534 45.762 45.100 0.213 0.000 0.776 221 G HN 0.315 nan 8.290 nan 0.000 0.542 222 Y N 1.823 122.169 120.300 0.077 0.000 2.200 222 Y HA 0.053 4.605 4.550 0.004 0.000 0.290 222 Y C 2.928 178.809 175.900 -0.030 0.000 1.137 222 Y CA 1.364 59.468 58.100 0.007 0.000 1.163 222 Y CB -0.157 38.203 38.460 -0.167 0.000 0.988 222 Y HN 0.250 nan 8.280 nan 0.000 0.518 223 A N -0.521 122.179 122.820 -0.200 0.000 1.883 223 A HA -0.226 4.096 4.320 0.005 0.000 0.217 223 A C 2.384 179.851 177.584 -0.194 0.000 1.186 223 A CA 2.234 53.977 52.037 -0.489 0.000 0.624 223 A CB -1.216 16.998 19.000 -1.311 0.000 0.822 223 A HN 0.509 nan 8.150 nan 0.000 0.444 224 S N -1.873 113.866 115.700 0.064 0.000 2.356 224 S HA -0.174 4.299 4.470 0.005 0.000 0.223 224 S C 1.852 176.595 174.600 0.239 0.000 1.032 224 S CA 1.510 59.960 58.200 0.417 0.000 1.005 224 S CB -0.594 62.838 63.200 0.387 0.000 0.867 224 S HN 0.705 nan 8.310 nan 0.000 0.449 225 Y N 1.560 121.834 120.300 -0.043 0.000 2.181 225 Y HA -0.241 4.312 4.550 0.005 0.000 0.288 225 Y C 2.501 178.283 175.900 -0.197 0.000 1.146 225 Y CA 2.221 60.254 58.100 -0.113 0.000 1.164 225 Y CB -0.528 37.842 38.460 -0.151 0.000 0.982 225 Y HN 0.371 nan 8.280 nan 0.000 0.515 226 H N -0.791 117.960 119.070 -0.532 0.000 2.352 226 H HA -0.257 4.302 4.556 0.004 0.000 0.299 226 H C 1.999 177.033 175.328 -0.489 0.000 1.097 226 H CA 2.432 58.057 56.048 -0.705 0.000 1.311 226 H CB -0.739 28.413 29.762 -1.016 0.000 1.377 226 H HN 0.550 nan 8.280 nan 0.000 0.504 227 W N 1.854 122.895 121.300 -0.432 0.000 2.355 227 W HA -0.111 4.552 4.660 0.005 0.000 0.309 227 W C 2.033 178.396 176.519 -0.261 0.000 1.206 227 W CA 1.875 59.082 57.345 -0.230 0.000 1.284 227 W CB -0.516 29.160 29.460 0.360 0.000 1.145 227 W HN 0.426 nan 8.180 nan 0.000 0.502 228 E N -2.145 118.135 120.200 0.134 0.000 2.072 228 E HA -0.235 4.118 4.350 0.005 0.000 0.191 228 E C 2.184 178.701 176.600 -0.139 0.000 0.985 228 E CA 1.452 57.875 56.400 0.040 0.000 0.801 228 E CB -0.525 29.192 29.700 0.028 0.000 0.750 228 E HN 0.274 nan 8.360 nan 0.000 0.452 229 H N -0.020 118.786 119.070 -0.441 0.000 2.439 229 H HA 0.021 4.580 4.556 0.005 0.000 0.299 229 H C 0.883 175.949 175.328 -0.437 0.000 1.033 229 H CA 0.920 56.652 56.048 -0.526 0.000 1.348 229 H CB 0.698 29.831 29.762 -1.049 0.000 1.449 229 H HN 0.058 nan 8.280 nan 0.000 0.544 230 D N -0.130 120.000 120.400 -0.451 0.000 2.338 230 D HA 0.026 4.669 4.640 0.005 0.000 0.208 230 D C 2.009 178.014 176.300 -0.492 0.000 0.997 230 D CA 0.363 54.094 54.000 -0.448 0.000 0.880 230 D CB 0.822 41.329 40.800 -0.488 0.000 0.980 230 D HN 0.204 nan 8.370 nan 0.000 0.509 231 V N -0.073 119.522 119.914 -0.531 0.000 2.735 231 V HA 0.056 4.179 4.120 0.005 0.000 0.234 231 V C 1.044 177.008 176.094 -0.215 0.000 1.121 231 V CA 0.157 62.201 62.300 -0.427 0.000 1.160 231 V CB 0.003 31.475 31.823 -0.584 0.000 0.908 231 V HN 0.006 nan 8.190 nan 0.000 0.495 232 S N 0.703 116.299 115.700 -0.172 0.000 2.507 232 S HA 0.067 4.540 4.470 0.005 0.000 0.299 232 S C 1.473 175.980 174.600 -0.155 0.000 1.214 232 S CA -0.082 57.993 58.200 -0.208 0.000 1.137 232 S CB -0.316 62.581 63.200 -0.505 0.000 1.009 232 S HN 0.407 nan 8.310 nan 0.000 0.512 233 R N 2.480 122.913 120.500 -0.111 0.000 2.714 233 R HA -0.276 4.067 4.340 0.005 0.000 0.155 233 R C 0.769 177.051 176.300 -0.030 0.000 0.602 233 R CA 2.166 58.229 56.100 -0.062 0.000 0.507 233 R CB -0.854 29.424 30.300 -0.037 0.000 0.654 233 R HN 0.595 nan 8.270 nan 0.000 0.347 234 K N 1.989 122.386 120.400 -0.004 0.000 2.130 234 K HA 0.185 4.508 4.320 0.005 0.000 0.268 234 K C -0.272 176.362 176.600 0.057 0.000 0.983 234 K CA -0.097 56.219 56.287 0.049 0.000 0.893 234 K CB 1.297 33.870 32.500 0.121 0.000 1.066 234 K HN 0.185 nan 8.250 nan 0.000 0.450 235 S N 1.455 117.177 115.700 0.037 0.000 2.693 235 S HA 0.438 4.911 4.470 0.005 0.000 0.276 235 S C 0.331 174.948 174.600 0.027 0.000 1.192 235 S CA -0.867 57.345 58.200 0.021 0.000 0.994 235 S CB 1.506 64.700 63.200 -0.010 0.000 1.012 235 S HN 0.673 nan 8.310 nan 0.000 0.550 236 G N 0.890 109.683 108.800 -0.013 0.000 2.530 236 G HA2 0.405 4.368 3.960 0.005 0.000 0.313 236 G HA3 0.405 4.368 3.960 0.005 0.000 0.313 236 G C -0.536 174.341 174.900 -0.039 0.000 0.971 236 G CA -0.682 44.396 45.100 -0.036 0.000 1.237 236 G HN 0.628 nan 8.290 nan 0.000 0.446 237 F N 3.314 123.184 119.950 -0.134 0.000 2.629 237 F HA 0.249 4.778 4.527 0.005 0.000 0.377 237 F C 0.257 175.925 175.800 -0.221 0.000 1.101 237 F CA 0.503 58.401 58.000 -0.171 0.000 1.301 237 F CB 0.866 39.767 39.000 -0.165 0.000 1.062 237 F HN 0.207 nan 8.300 nan 0.000 0.583 238 V N 5.737 125.200 119.914 -0.750 0.000 2.444 238 V HA 0.664 4.787 4.120 0.005 0.000 0.294 238 V C -0.367 175.385 176.094 -0.570 0.000 1.022 238 V CA -0.717 61.263 62.300 -0.533 0.000 0.850 238 V CB 1.213 32.668 31.823 -0.613 0.000 0.992 238 V HN 0.939 nan 8.190 nan 0.000 0.426 239 A N 4.045 126.758 122.820 -0.178 0.000 2.311 239 A HA 0.908 5.231 4.320 0.005 0.000 0.306 239 A C -0.004 177.675 177.584 0.159 0.000 1.189 239 A CA -0.334 51.670 52.037 -0.055 0.000 0.791 239 A CB 1.165 20.301 19.000 0.227 0.000 1.172 239 A HN 1.243 nan 8.150 nan 0.000 0.481 240 A N 2.082 124.939 122.820 0.062 0.000 2.292 240 A HA 0.772 5.094 4.320 0.005 0.000 0.319 240 A C -1.080 176.391 177.584 -0.188 0.000 1.206 240 A CA -0.310 51.774 52.037 0.077 0.000 0.835 240 A CB 0.133 19.183 19.000 0.082 0.000 1.164 240 A HN 0.678 nan 8.150 nan 0.000 0.505 241 F N 1.987 121.979 119.950 0.070 0.000 2.347 241 F HA 0.561 5.091 4.527 0.004 0.000 0.366 241 F C 0.750 176.571 175.800 0.034 0.000 1.107 241 F CA -0.050 57.990 58.000 0.067 0.000 1.058 241 F CB 1.561 40.665 39.000 0.173 0.000 1.236 241 F HN 0.716 nan 8.300 nan 0.000 0.456 242 A N 3.249 126.057 122.820 -0.021 0.000 2.281 242 A HA 0.713 5.036 4.320 0.005 0.000 0.329 242 A C -0.302 177.402 177.584 0.200 0.000 1.122 242 A CA -0.736 51.318 52.037 0.027 0.000 0.850 242 A CB 0.918 19.791 19.000 -0.213 0.000 1.207 242 A HN 0.558 nan 8.150 nan 0.000 0.495 243 Q N -0.231 119.730 119.800 0.267 0.000 2.221 243 Q HA 0.432 4.775 4.340 0.005 0.000 0.242 243 Q C 0.703 176.955 176.000 0.420 0.000 0.940 243 Q CA 0.361 56.350 55.803 0.310 0.000 0.896 243 Q CB 1.518 30.423 28.738 0.278 0.000 1.226 243 Q HN 0.987 nan 8.270 nan 0.000 0.463 244 T N -2.443 112.314 114.554 0.338 0.000 2.435 244 T HA 0.172 4.525 4.350 0.005 0.000 0.177 244 T C 0.253 175.159 174.700 0.343 0.000 0.716 244 T CA -0.437 61.857 62.100 0.324 0.000 1.523 244 T CB -0.121 68.886 68.868 0.231 0.000 2.878 244 T HN 0.653 nan 8.240 nan 0.000 0.405 245 N N 1.637 120.453 118.700 0.193 0.000 2.699 245 N HA 0.537 5.280 4.740 0.005 0.000 0.232 245 N C -0.124 175.470 175.510 0.141 0.000 1.027 245 N CA -0.490 52.634 53.050 0.123 0.000 0.920 245 N CB 1.619 40.020 38.487 -0.142 0.000 1.148 245 N HN 0.653 nan 8.380 nan 0.000 0.509 246 A N 1.145 124.114 122.820 0.248 0.000 2.503 246 A HA 0.353 4.676 4.320 0.005 0.000 0.263 246 A C 1.833 179.680 177.584 0.438 0.000 1.258 246 A CA -0.022 52.183 52.037 0.281 0.000 0.936 246 A CB -0.044 19.117 19.000 0.269 0.000 1.070 246 A HN 0.639 nan 8.150 nan 0.000 0.522 247 G N 1.830 110.864 108.800 0.390 0.000 2.469 247 G HA2 -0.269 3.694 3.960 0.005 0.000 0.220 247 G HA3 -0.269 3.694 3.960 0.005 0.000 0.220 247 G C 0.911 176.173 174.900 0.602 0.000 1.136 247 G CA 1.267 46.710 45.100 0.572 0.000 0.759 247 G HN 0.712 nan 8.290 nan 0.000 0.562 248 N N -0.539 118.374 118.700 0.355 0.000 2.338 248 N HA 0.242 4.985 4.740 0.005 0.000 0.251 248 N C -0.354 175.259 175.510 0.171 0.000 1.199 248 N CA -0.244 52.943 53.050 0.227 0.000 0.879 248 N CB 0.038 38.616 38.487 0.151 0.000 1.159 248 N HN 0.224 nan 8.380 nan 0.000 0.514 249 L N 0.294 121.673 121.223 0.260 0.000 2.356 249 L HA 0.496 4.839 4.340 0.005 0.000 0.277 249 L C -0.319 176.705 176.870 0.256 0.000 0.996 249 L CA -0.512 54.448 54.840 0.200 0.000 0.822 249 L CB 1.915 44.062 42.059 0.148 0.000 1.256 249 L HN -0.044 nan 8.230 nan 0.000 0.413 250 S N 2.903 118.689 115.700 0.144 0.000 2.681 250 S HA 0.587 5.059 4.470 0.005 0.000 0.299 250 S C -2.527 172.158 174.600 0.142 0.000 1.113 250 S CA -1.344 56.932 58.200 0.126 0.000 1.013 250 S CB 1.848 65.081 63.200 0.055 0.000 1.076 250 S HN 0.319 nan 8.310 nan 0.000 0.534 251 P HA 0.100 nan 4.420 nan 0.000 0.266 251 P C -0.420 176.941 177.300 0.102 0.000 1.195 251 P CA -0.203 62.976 63.100 0.133 0.000 0.768 251 P CB 0.280 32.047 31.700 0.111 0.000 0.838 252 N N 2.197 120.957 118.700 0.100 0.000 2.453 252 N HA 0.034 4.777 4.740 0.005 0.000 0.253 252 N C -0.320 175.209 175.510 0.031 0.000 1.252 252 N CA 0.043 53.133 53.050 0.067 0.000 0.917 252 N CB -0.022 38.505 38.487 0.066 0.000 1.117 252 N HN 0.250 nan 8.380 nan 0.000 0.442 253 L N 1.768 122.993 121.223 0.003 0.000 2.543 253 L HA -0.044 4.299 4.340 0.005 0.000 0.285 253 L C 0.766 177.593 176.870 -0.072 0.000 1.236 253 L CA 0.096 54.898 54.840 -0.063 0.000 0.871 253 L CB -0.051 41.949 42.059 -0.098 0.000 1.121 253 L HN 0.599 nan 8.230 nan 0.000 0.501 254 N N 3.855 122.488 118.700 -0.112 0.000 2.558 254 N HA 0.222 4.965 4.740 0.005 0.000 0.233 254 N C -0.187 175.257 175.510 -0.110 0.000 1.038 254 N CA -0.102 52.895 53.050 -0.089 0.000 0.934 254 N CB 0.437 38.879 38.487 -0.075 0.000 1.175 254 N HN 0.528 nan 8.380 nan 0.000 0.512 255 L N 2.131 123.304 121.223 -0.083 0.000 2.928 255 L HA 0.273 4.616 4.340 0.005 0.000 0.246 255 L C 0.688 177.525 176.870 -0.055 0.000 1.239 255 L CA -0.407 54.386 54.840 -0.078 0.000 1.035 255 L CB -0.084 41.934 42.059 -0.068 0.000 1.360 255 L HN 0.185 nan 8.230 nan 0.000 0.529 256 K N 1.526 121.895 120.400 -0.051 0.000 2.469 256 K HA 0.137 4.460 4.320 0.005 0.000 0.274 256 K C -2.143 174.434 176.600 -0.038 0.000 0.983 256 K CA -1.415 54.847 56.287 -0.041 0.000 0.974 256 K CB 0.084 32.559 32.500 -0.042 0.000 0.913 256 K HN -0.134 nan 8.250 nan 0.000 0.493 257 P HA -0.081 nan 4.420 nan 0.000 0.263 257 P C 0.578 177.863 177.300 -0.025 0.000 1.175 257 P CA 0.957 64.042 63.100 -0.026 0.000 0.761 257 P CB 0.290 31.977 31.700 -0.022 0.000 0.794 258 G N 1.689 110.475 108.800 -0.024 0.000 2.162 258 G HA2 -0.219 3.743 3.960 0.005 0.000 0.260 258 G HA3 -0.219 3.743 3.960 0.005 0.000 0.260 258 G C 0.180 175.067 174.900 -0.022 0.000 0.976 258 G CA 0.316 45.404 45.100 -0.020 0.000 0.655 258 G HN 0.876 nan 8.290 nan 0.000 0.533 259 S N -0.420 115.261 115.700 -0.032 0.000 2.482 259 S HA 0.789 5.262 4.470 0.005 0.000 0.303 259 S C 0.359 174.924 174.600 -0.059 0.000 1.091 259 S CA 0.316 58.493 58.200 -0.038 0.000 1.057 259 S CB 2.212 65.386 63.200 -0.042 0.000 1.031 259 S HN 1.583 nan 8.310 nan 0.000 0.485 260 G N 2.069 110.835 108.800 -0.057 0.000 2.448 260 G HA2 0.568 4.531 3.960 0.005 0.000 0.285 260 G HA3 0.568 4.531 3.960 0.005 0.000 0.285 260 G C -1.769 173.028 174.900 -0.171 0.000 1.176 260 G CA -1.857 43.187 45.100 -0.093 0.000 0.852 260 G HN 0.585 nan 8.290 nan 0.000 0.530 261 P HA 0.004 nan 4.420 nan 0.000 0.224 261 P C 1.463 178.470 177.300 -0.489 0.000 1.159 261 P CA 0.311 63.091 63.100 -0.532 0.000 0.824 261 P CB 0.051 31.288 31.700 -0.772 0.000 0.833 262 F N 0.661 120.602 119.950 -0.016 0.000 1.878 262 F HA -0.314 4.216 4.527 0.004 0.000 0.249 262 F C 1.363 177.155 175.800 -0.014 0.000 1.001 262 F CA 1.423 59.411 58.000 -0.020 0.000 1.588 262 F CB -2.824 36.162 39.000 -0.024 0.000 0.933 262 F HN 0.036 nan 8.300 nan 0.000 0.418 263 D N -0.128 120.317 120.400 0.076 0.000 2.194 263 D HA 0.022 4.665 4.640 0.005 0.000 0.204 263 D C 0.486 176.826 176.300 0.067 0.000 0.964 263 D CA 1.348 55.386 54.000 0.064 0.000 0.846 263 D CB -0.152 40.665 40.800 0.029 0.000 0.962 263 D HN 0.551 nan 8.370 nan 0.000 0.490 264 N N -0.412 118.327 118.700 0.064 0.000 2.655 264 N HA 0.050 4.793 4.740 0.005 0.000 0.277 264 N C 0.041 175.594 175.510 0.072 0.000 1.177 264 N CA -0.151 52.954 53.050 0.091 0.000 0.882 264 N CB 1.216 39.770 38.487 0.110 0.000 1.481 264 N HN -0.285 nan 8.380 nan 0.000 0.547 265 E N 1.624 121.825 120.200 0.002 0.000 2.153 265 E HA -0.157 4.196 4.350 0.005 0.000 0.194 265 E C 0.499 177.042 176.600 -0.094 0.000 0.988 265 E CA 1.323 57.661 56.400 -0.103 0.000 0.811 265 E CB 0.050 29.592 29.700 -0.263 0.000 0.746 265 E HN 0.622 nan 8.360 nan 0.000 0.466 266 F N 1.472 121.461 119.950 0.065 0.000 2.146 266 F HA -0.169 4.360 4.527 0.004 0.000 0.298 266 F C 2.111 178.063 175.800 0.254 0.000 1.096 266 F CA 0.939 59.029 58.000 0.149 0.000 1.275 266 F CB -0.217 38.758 39.000 -0.043 0.000 1.008 266 F HN -0.077 nan 8.300 nan 0.000 0.480 267 D N 0.196 120.782 120.400 0.311 0.000 2.123 267 D HA -0.177 4.466 4.640 0.005 0.000 0.196 267 D C 1.754 178.093 176.300 0.065 0.000 0.992 267 D CA 1.381 55.477 54.000 0.160 0.000 0.833 267 D CB -0.749 40.106 40.800 0.091 0.000 0.954 267 D HN 0.402 nan 8.370 nan 0.000 0.455 268 N N -0.324 118.412 118.700 0.061 0.000 2.120 268 N HA -0.107 4.635 4.740 0.005 0.000 0.188 268 N C 1.691 177.213 175.510 0.020 0.000 1.024 268 N CA 1.326 54.388 53.050 0.020 0.000 0.852 268 N CB -0.053 38.446 38.487 0.020 0.000 1.003 268 N HN 0.065 nan 8.380 nan 0.000 0.424 269 T N 0.910 115.507 114.554 0.072 0.000 2.684 269 T HA -0.181 4.172 4.350 0.005 0.000 0.267 269 T C 1.851 176.492 174.700 -0.098 0.000 1.036 269 T CA 1.087 63.241 62.100 0.090 0.000 1.148 269 T CB -0.177 68.854 68.868 0.271 0.000 0.863 269 T HN 0.275 nan 8.240 nan 0.000 0.436 270 R N 0.848 121.172 120.500 -0.293 0.000 2.081 270 R HA -0.136 4.206 4.340 0.005 0.000 0.235 270 R C 2.417 178.427 176.300 -0.484 0.000 1.131 270 R CA 1.800 57.341 56.100 -0.931 0.000 0.960 270 R CB -0.190 29.516 30.300 -0.989 0.000 0.856 270 R HN 0.269 nan 8.270 nan 0.000 0.436 271 E N 0.680 120.738 120.200 -0.235 0.000 2.047 271 E HA -0.145 4.208 4.350 0.005 0.000 0.191 271 E C 1.821 178.372 176.600 -0.082 0.000 0.987 271 E CA 1.514 57.830 56.400 -0.139 0.000 0.799 271 E CB -0.120 29.530 29.700 -0.083 0.000 0.752 271 E HN 0.337 nan 8.360 nan 0.000 0.449 272 I N 0.571 121.116 120.570 -0.042 0.000 2.315 272 I HA -0.074 4.098 4.170 0.005 0.000 0.248 272 I C 2.344 178.472 176.117 0.019 0.000 1.117 272 I CA 1.416 62.724 61.300 0.014 0.000 1.404 272 I CB -1.747 36.288 38.000 0.059 0.000 1.071 272 I HN 0.280 nan 8.210 nan 0.000 0.419 273 G N 1.102 109.908 108.800 0.010 0.000 2.446 273 G HA2 -0.256 3.707 3.960 0.005 0.000 0.217 273 G HA3 -0.256 3.707 3.960 0.005 0.000 0.217 273 G C 1.749 176.666 174.900 0.029 0.000 1.168 273 G CA 0.501 45.630 45.100 0.048 0.000 0.771 273 G HN 0.288 nan 8.290 nan 0.000 0.551 274 L N 0.549 121.774 121.223 0.004 0.000 2.083 274 L HA 0.057 4.399 4.340 0.005 0.000 0.209 274 L C 2.951 179.836 176.870 0.025 0.000 1.083 274 L CA 1.522 56.351 54.840 -0.017 0.000 0.752 274 L CB -0.425 41.560 42.059 -0.124 0.000 0.899 274 L HN 0.148 nan 8.230 nan 0.000 0.433 275 R N -1.223 119.266 120.500 -0.018 0.000 2.096 275 R HA -0.173 4.170 4.340 0.005 0.000 0.235 275 R C 2.215 178.470 176.300 -0.074 0.000 1.127 275 R CA 1.712 57.788 56.100 -0.041 0.000 0.968 275 R CB -0.325 29.951 30.300 -0.039 0.000 0.861 275 R HN 0.548 nan 8.270 nan 0.000 0.440 276 Q N -0.358 119.410 119.800 -0.053 0.000 2.046 276 Q HA -0.154 4.189 4.340 0.005 0.000 0.200 276 Q C 1.909 177.959 176.000 0.083 0.000 0.975 276 Q CA 1.428 57.205 55.803 -0.042 0.000 0.836 276 Q CB -0.220 28.541 28.738 0.038 0.000 0.896 276 Q HN 0.270 nan 8.270 nan 0.000 0.428 277 F N 1.489 121.389 119.950 -0.083 0.000 2.091 277 F HA -0.248 4.281 4.527 0.004 0.000 0.299 277 F C 2.100 177.874 175.800 -0.043 0.000 1.103 277 F CA 1.556 59.549 58.000 -0.012 0.000 1.228 277 F CB -0.457 38.474 39.000 -0.115 0.000 0.984 277 F HN 0.003 nan 8.300 nan 0.000 0.477 278 A N -0.054 122.604 122.820 -0.270 0.000 1.902 278 A HA -0.212 4.111 4.320 0.005 0.000 0.217 278 A C 2.150 179.536 177.584 -0.330 0.000 1.181 278 A CA 1.935 53.758 52.037 -0.358 0.000 0.623 278 A CB -0.780 18.162 19.000 -0.096 0.000 0.818 278 A HN 0.407 nan 8.150 nan 0.000 0.443 279 K N 0.096 120.362 120.400 -0.225 0.000 2.057 279 K HA 0.085 4.408 4.320 0.005 0.000 0.206 279 K C 2.006 178.499 176.600 -0.178 0.000 1.050 279 K CA 1.494 57.673 56.287 -0.179 0.000 0.935 279 K CB -0.551 31.843 32.500 -0.177 0.000 0.715 279 K HN 0.314 nan 8.250 nan 0.000 0.439 280 A N -0.524 122.203 122.820 -0.155 0.000 1.902 280 A HA -0.171 4.152 4.320 0.005 0.000 0.217 280 A C 2.222 179.667 177.584 -0.233 0.000 1.181 280 A CA 1.572 53.560 52.037 -0.082 0.000 0.623 280 A CB -0.987 18.108 19.000 0.158 0.000 0.818 280 A HN 0.507 nan 8.150 nan 0.000 0.443 281 Y N 0.304 120.138 120.300 -0.777 0.000 2.181 281 Y HA -0.204 4.349 4.550 0.004 0.000 0.288 281 Y C 2.463 178.134 175.900 -0.381 0.000 1.146 281 Y CA 2.195 59.793 58.100 -0.836 0.000 1.164 281 Y CB -0.103 37.550 38.460 -1.344 0.000 0.982 281 Y HN 0.542 nan 8.280 nan 0.000 0.515 282 E N 0.225 120.284 120.200 -0.235 0.000 2.058 282 E HA -0.244 4.109 4.350 0.005 0.000 0.194 282 E C 2.080 178.574 176.600 -0.176 0.000 0.997 282 E CA 2.020 58.320 56.400 -0.166 0.000 0.801 282 E CB -0.360 29.268 29.700 -0.120 0.000 0.746 282 E HN 0.601 nan 8.360 nan 0.000 0.450 283 I N 1.047 121.522 120.570 -0.159 0.000 2.179 283 I HA -0.251 3.922 4.170 0.005 0.000 0.242 283 I C 2.679 178.709 176.117 -0.144 0.000 1.088 283 I CA 1.045 62.264 61.300 -0.136 0.000 1.357 283 I CB -0.414 37.511 38.000 -0.126 0.000 1.051 283 I HN 0.196 nan 8.210 nan 0.000 0.409 284 A N 0.991 123.734 122.820 -0.129 0.000 1.948 284 A HA -0.188 4.135 4.320 0.005 0.000 0.220 284 A C 2.414 179.889 177.584 -0.182 0.000 1.177 284 A CA 2.062 54.042 52.037 -0.095 0.000 0.636 284 A CB -1.514 17.533 19.000 0.079 0.000 0.815 284 A HN 0.497 nan 8.150 nan 0.000 0.449 285 G N -1.159 107.478 108.800 -0.271 0.000 2.448 285 G HA2 -0.167 3.796 3.960 0.005 0.000 0.219 285 G HA3 -0.167 3.796 3.960 0.005 0.000 0.219 285 G C 1.508 176.297 174.900 -0.185 0.000 1.127 285 G CA 0.897 45.837 45.100 -0.268 0.000 0.766 285 G HN 0.677 nan 8.290 nan 0.000 0.552 286 Q N -0.273 119.434 119.800 -0.155 0.000 2.378 286 Q HA 0.362 4.705 4.340 0.005 0.000 0.205 286 Q C 1.570 177.498 176.000 -0.121 0.000 0.954 286 Q CA 0.227 55.961 55.803 -0.115 0.000 0.901 286 Q CB -0.008 28.679 28.738 -0.085 0.000 0.981 286 Q HN 0.436 nan 8.270 nan 0.000 0.483 287 A N 1.429 124.148 122.820 -0.168 0.000 2.261 287 A HA -0.326 3.997 4.320 0.005 0.000 0.282 287 A C 0.921 178.509 177.584 0.006 0.000 1.403 287 A CA 0.890 52.794 52.037 -0.222 0.000 0.753 287 A CB -1.418 17.214 19.000 -0.613 0.000 1.125 287 A HN 0.553 nan 8.150 nan 0.000 0.358 288 Q N -0.238 119.596 119.800 0.057 0.000 2.079 288 Q HA -0.049 4.294 4.340 0.005 0.000 0.200 288 Q C 0.983 177.087 176.000 0.174 0.000 0.974 288 Q CA 1.635 57.487 55.803 0.082 0.000 0.840 288 Q CB 0.259 29.018 28.738 0.035 0.000 0.898 288 Q HN 0.924 nan 8.270 nan 0.000 0.430 289 E N 0.467 120.822 120.200 0.258 0.000 2.278 289 E HA 0.142 4.494 4.350 0.005 0.000 0.272 289 E C -1.647 175.072 176.600 0.199 0.000 0.890 289 E CA -0.237 56.302 56.400 0.233 0.000 0.770 289 E CB 1.638 31.476 29.700 0.231 0.000 1.212 289 E HN 0.038 nan 8.360 nan 0.000 0.415 290 E N 2.970 123.192 120.200 0.038 0.000 2.344 290 E HA 0.150 4.503 4.350 0.005 0.000 0.270 290 E C -0.802 175.670 176.600 -0.214 0.000 1.021 290 E CA -0.448 55.691 56.400 -0.435 0.000 0.887 290 E CB 0.982 30.380 29.700 -0.504 0.000 0.997 290 E HN 0.228 nan 8.360 nan 0.000 0.429 291 V N 6.658 126.424 119.914 -0.246 0.000 2.455 291 V HA 0.221 4.344 4.120 0.005 0.000 0.273 291 V C 0.165 176.285 176.094 0.043 0.000 1.045 291 V CA 0.009 62.257 62.300 -0.086 0.000 0.976 291 V CB 0.213 31.955 31.823 -0.135 0.000 0.993 291 V HN 0.565 nan 8.190 nan 0.000 0.475 292 L N 4.506 125.765 121.223 0.059 0.000 2.422 292 L HA 0.974 5.317 4.340 0.005 0.000 0.264 292 L C 0.321 177.239 176.870 0.080 0.000 0.984 292 L CA -0.233 54.653 54.840 0.076 0.000 0.819 292 L CB 2.263 44.312 42.059 -0.016 0.000 1.330 292 L HN 0.891 nan 8.230 nan 0.000 0.410 293 G N 1.349 110.192 108.800 0.072 0.000 2.343 293 G HA2 -0.044 3.919 3.960 0.005 0.000 0.562 293 G HA3 -0.044 3.919 3.960 0.005 0.000 0.562 293 G C -1.039 173.922 174.900 0.102 0.000 1.269 293 G CA -0.419 44.710 45.100 0.049 0.000 1.011 293 G HN 0.866 nan 8.290 nan 0.000 0.498 294 E N -0.464 119.772 120.200 0.061 0.000 2.408 294 E HA 0.498 4.851 4.350 0.005 0.000 0.259 294 E C -0.058 176.595 176.600 0.090 0.000 1.110 294 E CA -0.521 55.918 56.400 0.065 0.000 0.929 294 E CB 0.873 30.591 29.700 0.030 0.000 0.971 294 E HN 0.551 nan 8.360 nan 0.000 0.438 295 L N 1.605 122.877 121.223 0.082 0.000 2.322 295 L HA 0.492 4.835 4.340 0.005 0.000 0.279 295 L C -0.177 176.697 176.870 0.006 0.000 1.036 295 L CA -0.664 54.196 54.840 0.034 0.000 0.807 295 L CB 1.254 43.326 42.059 0.022 0.000 1.226 295 L HN 0.707 nan 8.230 nan 0.000 0.433 296 D N 0.490 120.887 120.400 -0.005 0.000 2.639 296 D HA 0.674 5.317 4.640 0.005 0.000 0.271 296 D C -1.458 174.863 176.300 0.036 0.000 1.254 296 D CA -0.086 53.922 54.000 0.013 0.000 0.810 296 D CB 2.417 43.238 40.800 0.036 0.000 1.351 296 D HN 0.554 nan 8.370 nan 0.000 0.427 297 S N 0.306 116.055 115.700 0.082 0.000 2.587 297 S HA 0.855 5.328 4.470 0.005 0.000 0.269 297 S C -1.427 173.284 174.600 0.185 0.000 1.154 297 S CA -1.036 57.282 58.200 0.197 0.000 0.824 297 S CB 2.220 65.558 63.200 0.229 0.000 1.118 297 S HN 0.418 nan 8.310 nan 0.000 0.462 298 R N 0.225 120.864 120.500 0.231 0.000 2.774 298 R HA 0.732 5.075 4.340 0.005 0.000 0.272 298 R C -1.911 174.537 176.300 0.248 0.000 1.000 298 R CA -0.655 55.558 56.100 0.188 0.000 0.906 298 R CB 1.747 32.114 30.300 0.111 0.000 1.227 298 R HN 0.845 nan 8.270 nan 0.000 0.468 299 F N 0.481 120.451 119.950 0.032 0.000 2.628 299 F HA 0.560 5.090 4.527 0.004 0.000 0.309 299 F C -1.253 174.508 175.800 -0.065 0.000 1.108 299 F CA -0.581 57.402 58.000 -0.028 0.000 0.971 299 F CB 1.834 40.826 39.000 -0.015 0.000 1.279 299 F HN 0.256 nan 8.300 nan 0.000 0.441 300 R N 4.905 124.840 120.500 -0.941 0.000 2.548 300 R HA 0.360 4.703 4.340 0.005 0.000 0.280 300 R C -1.991 173.802 176.300 -0.844 0.000 1.061 300 R CA -0.714 55.032 56.100 -0.590 0.000 0.915 300 R CB 1.544 31.671 30.300 -0.288 0.000 1.210 300 R HN 0.604 nan 8.270 nan 0.000 0.442 301 F N 2.813 122.589 119.950 -0.291 0.000 2.467 301 F HA 0.216 4.747 4.527 0.006 0.000 0.362 301 F C 0.491 176.244 175.800 -0.077 0.000 1.090 301 F CA -0.064 57.865 58.000 -0.119 0.000 1.202 301 F CB 1.145 40.204 39.000 0.097 0.000 1.113 301 F HN 0.011 nan 8.300 nan 0.000 0.541 302 V N 3.328 123.329 119.914 0.146 0.000 2.448 302 V HA 0.182 4.304 4.120 0.005 0.000 0.295 302 V C -0.383 175.818 176.094 0.178 0.000 1.025 302 V CA -1.026 61.341 62.300 0.112 0.000 0.859 302 V CB 1.654 33.531 31.823 0.090 0.000 0.988 302 V HN 0.513 nan 8.190 nan 0.000 0.431 303 D N 3.137 123.604 120.400 0.111 0.000 2.338 303 D HA 0.170 4.812 4.640 0.005 0.000 0.255 303 D C 0.459 176.825 176.300 0.110 0.000 1.237 303 D CA -0.054 54.006 54.000 0.101 0.000 0.883 303 D CB 0.781 41.611 40.800 0.051 0.000 1.087 303 D HN 0.355 nan 8.370 nan 0.000 0.485 304 F N 1.522 121.348 119.950 -0.208 0.000 2.558 304 F HA -0.003 4.528 4.527 0.007 0.000 0.298 304 F C 1.419 177.091 175.800 -0.212 0.000 1.119 304 F CA 0.351 58.153 58.000 -0.330 0.000 1.451 304 F CB -0.317 38.281 39.000 -0.670 0.000 1.091 304 F HN 0.176 nan 8.300 nan 0.000 0.563 305 T N 2.369 116.943 114.554 0.034 0.000 2.817 305 T HA 0.106 4.458 4.350 0.005 0.000 0.295 305 T C 0.767 175.458 174.700 -0.015 0.000 0.958 305 T CA -0.274 61.844 62.100 0.029 0.000 1.157 305 T CB 0.145 69.042 68.868 0.048 0.000 0.898 305 T HN 0.196 nan 8.240 nan 0.000 0.536 306 R N 0.014 120.504 120.500 -0.017 0.000 3.627 306 R HA -0.177 4.166 4.340 0.005 0.000 0.281 306 R C -0.193 176.058 176.300 -0.083 0.000 1.140 306 R CA -0.084 55.994 56.100 -0.037 0.000 0.761 306 R CB -1.672 28.615 30.300 -0.021 0.000 1.181 306 R HN 0.443 nan 8.270 nan 0.000 0.472 307 L N 1.895 123.030 121.223 -0.146 0.000 2.500 307 L HA 0.194 4.537 4.340 0.005 0.000 0.272 307 L C -1.961 174.799 176.870 -0.184 0.000 1.149 307 L CA -1.170 53.542 54.840 -0.214 0.000 0.897 307 L CB 0.479 42.291 42.059 -0.412 0.000 1.178 307 L HN -0.128 nan 8.230 nan 0.000 0.473 308 P HA 0.271 nan 4.420 nan 0.000 0.276 308 P C -1.024 176.189 177.300 -0.145 0.000 1.230 308 P CA 0.161 63.187 63.100 -0.124 0.000 0.776 308 P CB 0.598 32.243 31.700 -0.093 0.000 0.888 309 I N 2.996 123.483 120.570 -0.137 0.000 2.406 309 I HA 0.382 4.555 4.170 0.005 0.000 0.290 309 I C 0.773 176.849 176.117 -0.068 0.000 0.999 309 I CA -0.941 60.288 61.300 -0.118 0.000 1.124 309 I CB 1.557 39.472 38.000 -0.141 0.000 1.289 309 I HN 0.113 nan 8.210 nan 0.000 0.441 310 R N 6.520 127.052 120.500 0.053 0.000 2.594 310 R HA 0.169 4.512 4.340 0.005 0.000 0.272 310 R C -1.442 174.862 176.300 0.006 0.000 1.074 310 R CA -1.355 54.781 56.100 0.059 0.000 1.105 310 R CB 0.424 30.809 30.300 0.143 0.000 1.008 310 R HN 0.379 nan 8.270 nan 0.000 0.472 311 P HA -0.243 nan 4.420 nan 0.000 0.218 311 P C 0.905 178.093 177.300 -0.187 0.000 1.146 311 P CA 1.288 64.296 63.100 -0.154 0.000 0.813 311 P CB 0.082 31.702 31.700 -0.134 0.000 0.778 312 E N -0.669 119.372 120.200 -0.265 0.000 2.233 312 E HA -0.193 4.160 4.350 0.005 0.000 0.199 312 E C 0.978 177.225 176.600 -0.588 0.000 1.004 312 E CA 1.047 57.151 56.400 -0.494 0.000 0.819 312 E CB -0.375 28.864 29.700 -0.768 0.000 0.738 312 E HN 0.288 nan 8.360 nan 0.000 0.478 313 F N -0.422 119.487 119.950 -0.069 0.000 2.704 313 F HA 0.112 4.642 4.527 0.006 0.000 0.304 313 F C 1.571 177.348 175.800 -0.040 0.000 1.094 313 F CA 0.291 58.274 58.000 -0.028 0.000 1.275 313 F CB 0.494 39.487 39.000 -0.012 0.000 1.073 313 F HN -0.001 nan 8.300 nan 0.000 0.586 314 T N -2.687 111.820 114.554 -0.078 0.000 2.886 314 T HA 0.103 4.456 4.350 0.005 0.000 0.259 314 T C 1.097 175.690 174.700 -0.178 0.000 1.125 314 T CA 0.208 62.065 62.100 -0.404 0.000 0.988 314 T CB -0.025 68.237 68.868 -1.010 0.000 2.203 314 T HN 0.037 nan 8.240 nan 0.000 0.552 315 D N -0.771 119.456 120.400 -0.289 0.000 2.347 315 D HA 0.260 4.903 4.640 0.005 0.000 0.213 315 D C 1.515 177.780 176.300 -0.058 0.000 0.985 315 D CA 0.817 54.824 54.000 0.012 0.000 0.879 315 D CB -0.410 40.490 40.800 0.167 0.000 0.919 315 D HN 1.141 nan 8.370 nan 0.000 0.526 316 G N -0.845 107.868 108.800 -0.145 0.000 2.227 316 G HA2 -0.176 3.787 3.960 0.005 0.000 0.168 316 G HA3 -0.176 3.787 3.960 0.005 0.000 0.168 316 G C -0.086 174.736 174.900 -0.130 0.000 1.006 316 G CA -0.494 44.536 45.100 -0.117 0.000 0.684 316 G HN 0.219 nan 8.290 nan 0.000 0.489 317 Q N 0.496 120.190 119.800 -0.177 0.000 2.257 317 Q HA 0.539 4.882 4.340 0.005 0.000 0.262 317 Q C -2.655 173.208 176.000 -0.229 0.000 0.997 317 Q CA -2.089 53.615 55.803 -0.166 0.000 0.873 317 Q CB 1.847 30.505 28.738 -0.134 0.000 1.312 317 Q HN 0.140 nan 8.270 nan 0.000 0.450 318 P HA 0.141 nan 4.420 nan 0.000 0.268 318 P C -0.387 176.779 177.300 -0.223 0.000 1.204 318 P CA 0.109 63.104 63.100 -0.175 0.000 0.768 318 P CB 0.723 32.356 31.700 -0.111 0.000 0.842 319 R N 2.097 122.433 120.500 -0.273 0.000 2.912 319 R HA 0.561 4.904 4.340 0.005 0.000 0.262 319 R C -0.377 175.827 176.300 -0.159 0.000 1.057 319 R CA -0.854 55.074 56.100 -0.286 0.000 0.981 319 R CB 1.468 31.374 30.300 -0.656 0.000 1.201 319 R HN 0.509 nan 8.270 nan 0.000 0.484 320 Q N 0.706 120.459 119.800 -0.079 0.000 2.331 320 Q HA 0.442 4.785 4.340 0.005 0.000 0.272 320 Q C -0.592 175.411 176.000 0.004 0.000 1.062 320 Q CA -0.775 54.997 55.803 -0.053 0.000 0.806 320 Q CB 2.833 31.548 28.738 -0.038 0.000 1.312 320 Q HN 0.377 nan 8.270 nan 0.000 0.431 321 L N 0.859 122.062 121.223 -0.034 0.000 2.483 321 L HA 0.136 4.479 4.340 0.005 0.000 0.275 321 L C 0.304 177.211 176.870 0.062 0.000 1.220 321 L CA -0.123 54.726 54.840 0.016 0.000 0.833 321 L CB 0.413 42.418 42.059 -0.089 0.000 1.102 321 L HN 0.642 nan 8.230 nan 0.000 0.490 322 C N 1.077 120.448 119.300 0.117 0.000 2.354 322 C HA 0.575 5.038 4.460 0.005 0.000 0.381 322 C C 0.885 175.984 174.990 0.183 0.000 1.240 322 C CA -0.500 58.585 59.018 0.112 0.000 2.089 322 C CB 1.436 29.226 27.740 0.082 0.000 2.234 322 C HN 0.918 nan 8.230 nan 0.000 0.544 323 T N 1.574 116.209 114.554 0.135 0.000 2.802 323 T HA 0.483 4.836 4.350 0.005 0.000 0.305 323 T C 0.145 174.920 174.700 0.125 0.000 1.053 323 T CA -0.086 62.112 62.100 0.163 0.000 1.058 323 T CB 0.458 69.378 68.868 0.087 0.000 0.988 323 T HN 1.214 nan 8.240 nan 0.000 0.539 324 A N 0.894 123.770 122.820 0.093 0.000 2.462 324 A HA 0.633 4.956 4.320 0.005 0.000 0.243 324 A C 0.455 177.982 177.584 -0.095 0.000 1.076 324 A CA -0.197 51.774 52.037 -0.110 0.000 0.773 324 A CB -0.656 18.243 19.000 -0.168 0.000 1.010 324 A HN 1.683 nan 8.150 nan 0.000 0.493 325 A N 1.938 124.688 122.820 -0.117 0.000 2.589 325 A HA 0.654 4.977 4.320 0.005 0.000 0.296 325 A C -0.850 176.690 177.584 -0.073 0.000 1.062 325 A CA -0.480 51.508 52.037 -0.081 0.000 0.686 325 A CB 0.798 19.768 19.000 -0.049 0.000 1.282 325 A HN 0.743 nan 8.150 nan 0.000 0.404 326 I N 1.635 122.174 120.570 -0.053 0.000 2.392 326 I HA 0.550 4.723 4.170 0.005 0.000 0.295 326 I C 1.010 177.101 176.117 -0.042 0.000 0.985 326 I CA -0.316 60.960 61.300 -0.039 0.000 1.221 326 I CB 2.038 40.042 38.000 0.007 0.000 1.366 326 I HN 0.771 nan 8.210 nan 0.000 0.467 327 G N 2.824 111.583 108.800 -0.068 0.000 2.488 327 G HA2 0.547 4.510 3.960 0.005 0.000 0.318 327 G HA3 0.547 4.510 3.960 0.005 0.000 0.318 327 G C -0.044 174.827 174.900 -0.048 0.000 1.188 327 G CA -0.385 44.672 45.100 -0.072 0.000 0.944 327 G HN 0.606 nan 8.290 nan 0.000 0.495 345 E N 1.415 121.635 120.200 0.034 0.000 2.560 345 E HA -0.229 4.124 4.350 0.005 0.000 0.158 345 E C 0.020 176.637 176.600 0.028 0.000 1.709 345 E CA 1.008 57.424 56.400 0.025 0.000 0.653 345 E CB -0.914 28.803 29.700 0.027 0.000 1.090 345 E HN 0.578 nan 8.360 nan 0.000 0.355 346 E N -0.881 119.332 120.200 0.022 0.000 3.148 346 E HA -0.226 4.127 4.350 0.005 0.000 0.288 346 E C 0.728 177.332 176.600 0.007 0.000 1.422 346 E CA 1.652 58.062 56.400 0.016 0.000 1.799 346 E CB -1.757 27.956 29.700 0.021 0.000 1.952 346 E HN 1.889 nan 8.360 nan 0.000 0.525 347 G N 2.250 111.052 108.800 0.004 0.000 2.858 347 G HA2 -0.173 3.790 3.960 0.005 0.000 0.272 347 G HA3 -0.173 3.790 3.960 0.005 0.000 0.272 347 G C 0.544 175.456 174.900 0.020 0.000 1.003 347 G CA 0.640 45.746 45.100 0.011 0.000 1.241 347 G HN 0.511 nan 8.290 nan 0.000 0.569 348 N N 0.778 119.490 118.700 0.020 0.000 2.047 348 N HA -0.110 4.633 4.740 0.005 0.000 0.193 348 N C 0.726 176.225 175.510 -0.018 0.000 1.055 348 N CA 1.005 54.058 53.050 0.005 0.000 0.847 348 N CB 0.032 38.525 38.487 0.010 0.000 1.038 348 N HN 0.530 nan 8.380 nan 0.000 0.427 349 N N 1.189 119.868 118.700 -0.035 0.000 2.524 349 N HA 0.212 4.955 4.740 0.005 0.000 0.261 349 N C -2.208 173.233 175.510 -0.115 0.000 0.998 349 N CA -2.296 50.735 53.050 -0.032 0.000 0.915 349 N CB 1.932 40.418 38.487 -0.001 0.000 1.187 349 N HN -0.095 nan 8.380 nan 0.000 0.507 350 P HA -0.081 nan 4.420 nan 0.000 0.223 350 P C 1.252 178.117 177.300 -0.725 0.000 1.151 350 P CA 0.568 63.386 63.100 -0.471 0.000 0.787 350 P CB 0.104 31.462 31.700 -0.570 0.000 0.788 351 F N 0.750 120.368 119.950 -0.552 0.000 2.128 351 F HA -0.064 4.469 4.527 0.010 0.000 0.295 351 F C 2.248 177.907 175.800 -0.235 0.000 1.100 351 F CA 0.877 58.696 58.000 -0.301 0.000 1.260 351 F CB -1.075 37.933 39.000 0.014 0.000 1.009 351 F HN -0.282 nan 8.300 nan 0.000 0.476 352 L N -0.765 120.257 121.223 -0.335 0.000 2.042 352 L HA -0.265 4.078 4.340 0.005 0.000 0.210 352 L C 2.676 179.381 176.870 -0.274 0.000 1.076 352 L CA 1.924 56.534 54.840 -0.383 0.000 0.749 352 L CB -0.739 41.209 42.059 -0.184 0.000 0.893 352 L HN 0.294 nan 8.230 nan 0.000 0.432 353 S N -0.692 114.875 115.700 -0.222 0.000 2.368 353 S HA -0.172 4.300 4.470 0.005 0.000 0.225 353 S C 2.007 176.519 174.600 -0.146 0.000 1.030 353 S CA 1.221 59.328 58.200 -0.156 0.000 0.999 353 S CB -0.121 62.985 63.200 -0.156 0.000 0.844 353 S HN 0.574 nan 8.310 nan 0.000 0.459 354 A N 0.695 123.387 122.820 -0.212 0.000 2.070 354 A HA 0.107 4.430 4.320 0.005 0.000 0.220 354 A C 1.911 179.449 177.584 -0.076 0.000 1.159 354 A CA 1.009 52.996 52.037 -0.082 0.000 0.656 354 A CB -0.511 18.537 19.000 0.080 0.000 0.800 354 A HN 0.582 nan 8.150 nan 0.000 0.453 355 L N -2.109 118.993 121.223 -0.202 0.000 2.558 355 L HA 0.252 4.595 4.340 0.005 0.000 0.225 355 L C 1.779 178.731 176.870 0.136 0.000 1.128 355 L CA 0.616 55.400 54.840 -0.095 0.000 0.868 355 L CB 0.107 41.904 42.059 -0.436 0.000 1.006 355 L HN 0.559 nan 8.230 nan 0.000 0.454 356 G N -1.380 107.458 108.800 0.064 0.000 3.898 356 G HA2 -0.162 3.801 3.960 0.005 0.000 0.196 356 G HA3 -0.162 3.801 3.960 0.005 0.000 0.196 356 G C 0.756 175.695 174.900 0.064 0.000 1.322 356 G CA -0.105 45.054 45.100 0.098 0.000 0.942 356 G HN 0.261 nan 8.290 nan 0.000 0.400 357 G N 0.256 109.100 108.800 0.074 0.000 2.571 357 G HA2 0.504 4.467 3.960 0.005 0.000 0.225 357 G HA3 0.504 4.467 3.960 0.005 0.000 0.225 357 G C 0.282 175.341 174.900 0.265 0.000 1.731 357 G CA 0.557 45.753 45.100 0.160 0.000 0.858 357 G HN 0.953 nan 8.290 nan 0.000 0.611 358 L N 1.436 122.762 121.223 0.172 0.000 2.281 358 L HA 0.674 5.017 4.340 0.005 0.000 0.285 358 L C -0.302 176.600 176.870 0.054 0.000 1.074 358 L CA -0.103 54.821 54.840 0.139 0.000 0.817 358 L CB -0.190 41.941 42.059 0.119 0.000 1.168 358 L HN 0.436 nan 8.230 nan 0.000 0.434 359 L N 1.824 123.051 121.223 0.008 0.000 0.592 359 L HA -0.154 4.188 4.340 0.005 0.000 0.356 359 L C -0.210 176.644 176.870 -0.026 0.000 0.937 359 L CA 0.489 55.318 54.840 -0.018 0.000 1.223 359 L CB -0.666 41.391 42.059 -0.004 0.000 0.036 359 L HN 0.727 nan 8.230 nan 0.000 0.092 360 T N 0.416 114.951 114.554 -0.031 0.000 2.756 360 T HA 0.652 5.004 4.350 0.005 0.000 0.290 360 T C 0.346 175.021 174.700 -0.041 0.000 0.985 360 T CA 0.322 62.405 62.100 -0.029 0.000 0.955 360 T CB 0.853 69.710 68.868 -0.018 0.000 0.930 360 T HN 0.856 nan 8.240 nan 0.000 0.451 361 G N 2.597 111.372 108.800 -0.041 0.000 2.535 361 G HA2 0.451 4.414 3.960 0.005 0.000 0.282 361 G HA3 0.451 4.414 3.960 0.005 0.000 0.282 361 G C 0.153 175.037 174.900 -0.027 0.000 1.350 361 G CA -0.562 44.514 45.100 -0.040 0.000 1.039 361 G HN 0.858 nan 8.290 nan 0.000 0.509 362 V N 1.217 121.117 119.914 -0.023 0.000 2.694 362 V HA 0.221 4.344 4.120 0.005 0.000 0.306 362 V C -1.450 174.625 176.094 -0.031 0.000 1.054 362 V CA -1.094 61.192 62.300 -0.024 0.000 1.161 362 V CB 0.513 32.326 31.823 -0.017 0.000 0.916 362 V HN 0.602 nan 8.190 nan 0.000 0.490 363 P HA 0.317 nan 4.420 nan 0.000 0.272 363 P C -2.681 174.602 177.300 -0.028 0.000 1.240 363 P CA -1.151 61.925 63.100 -0.041 0.000 0.791 363 P CB -0.436 31.238 31.700 -0.043 0.000 0.978 364 P HA -0.042 nan 4.420 nan 0.000 0.265 364 P C 0.854 178.148 177.300 -0.010 0.000 1.187 364 P CA 0.182 63.271 63.100 -0.018 0.000 0.766 364 P CB 0.331 32.020 31.700 -0.018 0.000 0.820 365 Q N 2.022 121.818 119.800 -0.006 0.000 2.135 365 Q HA -0.261 4.081 4.340 0.005 0.000 0.204 365 Q C 1.068 177.070 176.000 0.005 0.000 0.981 365 Q CA 1.866 57.668 55.803 -0.001 0.000 0.856 365 Q CB 0.047 28.785 28.738 -0.000 0.000 0.902 365 Q HN 0.454 nan 8.270 nan 0.000 0.425 366 E N 0.576 120.779 120.200 0.005 0.000 2.077 366 E HA -0.194 4.158 4.350 0.005 0.000 0.193 366 E C 1.812 178.421 176.600 0.016 0.000 0.989 366 E CA 1.114 57.521 56.400 0.011 0.000 0.800 366 E CB -0.270 29.435 29.700 0.008 0.000 0.746 366 E HN 0.260 nan 8.360 nan 0.000 0.452 367 L N 0.317 121.546 121.223 0.010 0.000 2.027 367 L HA -0.125 4.217 4.340 0.005 0.000 0.206 367 L C 2.103 178.983 176.870 0.017 0.000 1.074 367 L CA 1.302 56.151 54.840 0.014 0.000 0.745 367 L CB -0.373 41.686 42.059 0.000 0.000 0.898 367 L HN 0.016 nan 8.230 nan 0.000 0.433 368 V N -0.226 119.694 119.914 0.010 0.000 2.282 368 V HA -0.328 3.795 4.120 0.005 0.000 0.249 368 V C 2.711 178.820 176.094 0.024 0.000 1.057 368 V CA 1.873 64.180 62.300 0.012 0.000 1.032 368 V CB -0.787 31.038 31.823 0.004 0.000 0.645 368 V HN 0.532 nan 8.190 nan 0.000 0.447 369 Q N -0.878 118.937 119.800 0.024 0.000 2.046 369 Q HA -0.132 4.211 4.340 0.005 0.000 0.200 369 Q C 2.281 178.307 176.000 0.044 0.000 0.975 369 Q CA 2.029 57.851 55.803 0.032 0.000 0.836 369 Q CB -0.876 27.878 28.738 0.028 0.000 0.896 369 Q HN 0.682 nan 8.270 nan 0.000 0.428 370 C N 1.009 120.337 119.300 0.046 0.000 2.539 370 C HA 0.058 4.521 4.460 0.005 0.000 0.268 370 C C 2.169 177.190 174.990 0.051 0.000 1.395 370 C CA -0.178 58.876 59.018 0.059 0.000 1.757 370 C CB -0.393 27.388 27.740 0.068 0.000 1.851 370 C HN 0.439 nan 8.230 nan 0.000 0.545 371 Q N 0.819 120.654 119.800 0.059 0.000 2.500 371 Q HA 0.105 4.448 4.340 0.005 0.000 0.213 371 Q C 1.630 177.725 176.000 0.159 0.000 0.974 371 Q CA 0.999 56.862 55.803 0.100 0.000 0.918 371 Q CB -0.333 28.461 28.738 0.094 0.000 0.980 371 Q HN 0.703 nan 8.270 nan 0.000 0.505 372 A N 1.691 124.570 122.820 0.097 0.000 5.277 372 A HA -0.317 4.006 4.320 0.005 0.000 0.304 372 A C 1.209 178.860 177.584 0.112 0.000 1.976 372 A CA 1.597 53.694 52.037 0.101 0.000 0.715 372 A CB -1.589 17.453 19.000 0.070 0.000 1.275 372 A HN 0.471 nan 8.150 nan 0.000 0.367 373 E N 1.409 121.696 120.200 0.145 0.000 2.478 373 E HA 0.001 4.354 4.350 0.005 0.000 0.198 373 E C 0.797 177.370 176.600 -0.045 0.000 1.046 373 E CA 1.041 57.460 56.400 0.033 0.000 0.870 373 E CB -0.393 29.309 29.700 0.004 0.000 0.818 373 E HN 0.669 nan 8.360 nan 0.000 0.527 374 K N 1.646 122.024 120.400 -0.037 0.000 2.401 374 K HA 0.063 4.385 4.320 0.005 0.000 0.278 374 K C -0.659 175.913 176.600 -0.046 0.000 1.018 374 K CA 0.201 56.426 56.287 -0.102 0.000 0.981 374 K CB 0.508 32.977 32.500 -0.052 0.000 0.933 374 K HN -0.190 nan 8.250 nan 0.000 0.477 375 T N 5.734 120.252 114.554 -0.061 0.000 2.762 375 T HA 0.280 4.633 4.350 0.005 0.000 0.303 375 T C 0.306 174.985 174.700 -0.036 0.000 0.977 375 T CA -0.496 61.581 62.100 -0.037 0.000 0.961 375 T CB -0.049 68.798 68.868 -0.035 0.000 0.944 375 T HN 0.446 nan 8.240 nan 0.000 0.481 376 I N 4.152 124.705 120.570 -0.027 0.000 2.598 376 I HA -0.002 4.170 4.170 0.005 0.000 0.284 376 I C 1.147 177.248 176.117 -0.027 0.000 1.140 376 I CA -0.107 61.175 61.300 -0.030 0.000 1.420 376 I CB 0.810 38.792 38.000 -0.029 0.000 1.387 376 I HN 0.524 nan 8.210 nan 0.000 0.553 377 L N 7.621 128.830 121.223 -0.024 0.000 2.286 377 L HA 0.429 4.771 4.340 0.005 0.000 0.203 377 L C 0.729 177.589 176.870 -0.017 0.000 1.068 377 L CA 1.012 55.847 54.840 -0.010 0.000 0.811 377 L CB 0.111 42.176 42.059 0.010 0.000 0.989 377 L HN 0.648 nan 8.230 nan 0.000 0.467 378 A N -0.399 122.401 122.820 -0.032 0.000 2.408 378 A HA 0.457 4.780 4.320 0.005 0.000 0.295 378 A C -1.511 175.994 177.584 -0.132 0.000 1.040 378 A CA -0.490 51.500 52.037 -0.079 0.000 0.707 378 A CB 0.653 19.646 19.000 -0.012 0.000 1.235 378 A HN 0.124 nan 8.150 nan 0.000 0.418 379 D N 3.190 123.471 120.400 -0.199 0.000 2.494 379 D HA 0.199 4.842 4.640 0.005 0.000 0.217 379 D C 1.477 177.585 176.300 -0.319 0.000 1.153 379 D CA 0.590 54.471 54.000 -0.198 0.000 0.954 379 D CB 0.600 41.301 40.800 -0.165 0.000 1.034 379 D HN 0.525 nan 8.370 nan 0.000 0.518 380 T N -0.461 113.935 114.554 -0.262 0.000 2.942 380 T HA 0.012 4.364 4.350 0.005 0.000 0.265 380 T C 1.975 176.552 174.700 -0.205 0.000 1.062 380 T CA 0.713 62.629 62.100 -0.308 0.000 1.139 380 T CB -0.177 68.649 68.868 -0.070 0.000 0.883 380 T HN 0.252 nan 8.240 nan 0.000 0.468 381 G N 1.503 110.237 108.800 -0.110 0.000 2.422 381 G HA2 -0.127 3.835 3.960 0.005 0.000 0.218 381 G HA3 -0.127 3.835 3.960 0.005 0.000 0.218 381 G C 1.388 176.262 174.900 -0.044 0.000 1.140 381 G CA 0.455 45.540 45.100 -0.025 0.000 0.775 381 G HN 0.638 nan 8.290 nan 0.000 0.545 382 N N -0.204 118.429 118.700 -0.111 0.000 2.270 382 N HA 0.104 4.847 4.740 0.005 0.000 0.198 382 N C 0.147 175.571 175.510 -0.144 0.000 1.117 382 N CA -0.246 52.743 53.050 -0.102 0.000 0.845 382 N CB 0.413 38.842 38.487 -0.096 0.000 0.980 382 N HN 0.010 nan 8.380 nan 0.000 0.486 383 K N 1.446 121.710 120.400 -0.226 0.000 2.355 383 K HA 0.166 4.489 4.320 0.005 0.000 0.270 383 K C 0.096 176.660 176.600 -0.061 0.000 1.003 383 K CA 0.370 56.508 56.287 -0.248 0.000 0.957 383 K CB 0.720 32.867 32.500 -0.589 0.000 0.939 383 K HN -0.067 nan 8.250 nan 0.000 0.482 384 K N 1.944 122.326 120.400 -0.030 0.000 2.375 384 K HA 0.310 4.632 4.320 0.005 0.000 0.249 384 K C -1.748 174.844 176.600 -0.013 0.000 0.942 384 K CA -1.745 54.516 56.287 -0.044 0.000 0.806 384 K CB 1.295 33.755 32.500 -0.066 0.000 1.227 384 K HN 0.217 nan 8.250 nan 0.000 0.430 385 P HA 0.066 nan 4.420 nan 0.000 0.231 385 P C -0.643 176.307 177.300 -0.584 0.000 1.168 385 P CA 0.756 63.619 63.100 -0.395 0.000 0.779 385 P CB 0.216 31.558 31.700 -0.597 0.000 0.844 386 Y N 0.196 120.552 120.300 0.093 0.000 2.409 386 Y HA 0.422 4.978 4.550 0.011 0.000 0.343 386 Y C -2.275 173.752 175.900 0.211 0.000 0.973 386 Y CA -3.432 54.746 58.100 0.129 0.000 1.064 386 Y CB 0.987 39.503 38.460 0.093 0.000 1.207 386 Y HN -0.206 nan 8.280 nan 0.000 0.452 387 P HA -0.068 nan 4.420 nan 0.000 0.269 387 P C 0.042 177.653 177.300 0.518 0.000 1.215 387 P CA -0.050 63.227 63.100 0.294 0.000 0.780 387 P CB 0.903 32.741 31.700 0.231 0.000 0.898 388 W N 0.520 121.896 121.300 0.127 0.000 2.800 388 W HA 0.038 4.705 4.660 0.010 0.000 0.249 388 W C 0.831 177.380 176.519 0.050 0.000 1.294 388 W CA 0.431 57.831 57.345 0.091 0.000 1.402 388 W CB -1.212 28.237 29.460 -0.019 0.000 1.126 388 W HN 0.289 nan 8.180 nan 0.000 0.652 389 T N -2.606 112.068 114.554 0.200 0.000 2.906 389 T HA 0.507 4.859 4.350 0.005 0.000 0.295 389 T C -2.725 171.736 174.700 -0.399 0.000 1.075 389 T CA -2.475 59.564 62.100 -0.101 0.000 1.005 389 T CB 2.692 71.525 68.868 -0.058 0.000 1.136 389 T HN -0.422 nan 8.240 nan 0.000 0.498 390 P HA 0.212 nan 4.420 nan 0.000 0.272 390 P C 0.656 177.884 177.300 -0.120 0.000 1.230 390 P CA -0.167 62.509 63.100 -0.708 0.000 0.788 390 P CB 0.663 32.103 31.700 -0.433 0.000 0.949 391 T N -3.103 111.419 114.554 -0.053 0.000 2.966 391 T HA 0.187 4.539 4.350 0.005 0.000 0.254 391 T C 0.337 175.010 174.700 -0.045 0.000 0.961 391 T CA 0.054 62.163 62.100 0.015 0.000 0.915 391 T CB -0.101 68.823 68.868 0.094 0.000 1.186 391 T HN 0.134 nan 8.240 nan 0.000 0.505 392 V N 2.613 122.506 119.914 -0.035 0.000 2.378 392 V HA 0.604 4.727 4.120 0.005 0.000 0.288 392 V C -0.809 175.285 176.094 0.001 0.000 1.016 392 V CA -0.829 61.467 62.300 -0.007 0.000 0.840 392 V CB 1.484 33.300 31.823 -0.012 0.000 0.994 392 V HN 0.404 nan 8.190 nan 0.000 0.431 393 L N 7.252 128.456 121.223 -0.032 0.000 2.381 393 L HA 0.627 4.969 4.340 0.005 0.000 0.268 393 L C -2.521 174.397 176.870 0.080 0.000 0.997 393 L CA -1.908 52.899 54.840 -0.056 0.000 0.818 393 L CB 3.315 45.051 42.059 -0.539 0.000 1.310 393 L HN 0.393 nan 8.230 nan 0.000 0.416 394 P HA 0.286 nan 4.420 nan 0.000 0.285 394 P C -1.221 175.874 177.300 -0.341 0.000 1.259 394 P CA -0.237 62.657 63.100 -0.343 0.000 0.794 394 P CB 1.498 33.051 31.700 -0.245 0.000 0.940 395 I N 3.042 123.265 120.570 -0.578 0.000 2.465 395 I HA 0.462 4.634 4.170 0.005 0.000 0.291 395 I C 0.153 175.995 176.117 -0.458 0.000 1.014 395 I CA -0.500 60.502 61.300 -0.496 0.000 1.093 395 I CB 1.679 39.314 38.000 -0.609 0.000 1.267 395 I HN 0.474 nan 8.210 nan 0.000 0.431 396 Q N 5.992 125.702 119.800 -0.151 0.000 2.377 396 Q HA 0.672 5.015 4.340 0.005 0.000 0.279 396 Q C -1.966 174.099 176.000 0.110 0.000 1.049 396 Q CA -0.681 55.131 55.803 0.015 0.000 0.825 396 Q CB 3.490 32.284 28.738 0.094 0.000 1.401 396 Q HN 0.701 nan 8.270 nan 0.000 0.404 397 M N 3.238 122.919 119.600 0.134 0.000 2.326 397 M HA 0.527 5.010 4.480 0.005 0.000 0.292 397 M C -1.892 174.587 176.300 0.299 0.000 1.081 397 M CA -0.566 54.817 55.300 0.137 0.000 0.919 397 M CB 1.368 34.067 32.600 0.164 0.000 1.634 397 M HN 0.546 nan 8.290 nan 0.000 0.451 398 F N 2.881 122.862 119.950 0.052 0.000 2.450 398 F HA 0.583 5.112 4.527 0.004 0.000 0.332 398 F C 0.134 175.935 175.800 0.002 0.000 1.093 398 F CA -0.944 57.083 58.000 0.045 0.000 1.003 398 F CB 1.456 40.489 39.000 0.054 0.000 1.151 398 F HN 0.521 nan 8.300 nan 0.000 0.474 399 R N 3.932 124.540 120.500 0.180 0.000 2.338 399 R HA 0.679 5.021 4.340 0.005 0.000 0.317 399 R C -1.492 174.831 176.300 0.038 0.000 0.968 399 R CA -0.319 55.826 56.100 0.075 0.000 0.849 399 R CB 0.609 30.938 30.300 0.048 0.000 1.128 399 R HN 0.707 nan 8.270 nan 0.000 0.448 400 I N 6.074 126.645 120.570 0.002 0.000 2.537 400 I HA 0.280 4.453 4.170 0.005 0.000 0.276 400 I C 0.904 176.995 176.117 -0.044 0.000 1.063 400 I CA -0.278 60.996 61.300 -0.044 0.000 1.144 400 I CB 1.429 39.381 38.000 -0.080 0.000 1.252 400 I HN 1.087 nan 8.210 nan 0.000 0.480 401 G N 5.136 113.952 108.800 0.026 0.000 2.622 401 G HA2 -0.333 3.630 3.960 0.005 0.000 0.307 401 G HA3 -0.333 3.630 3.960 0.005 0.000 0.307 401 G C 0.831 175.724 174.900 -0.012 0.000 1.226 401 G CA 0.650 45.775 45.100 0.042 0.000 0.997 401 G HN 0.715 nan 8.290 nan 0.000 0.551 402 Q N 0.467 120.246 119.800 -0.035 0.000 2.415 402 Q HA 0.303 4.645 4.340 0.005 0.000 0.206 402 Q C 0.925 176.860 176.000 -0.108 0.000 0.946 402 Q CA 0.601 56.364 55.803 -0.067 0.000 0.951 402 Q CB 0.168 28.866 28.738 -0.067 0.000 1.026 402 Q HN 0.727 nan 8.270 nan 0.000 0.510 403 L N 1.151 122.304 121.223 -0.117 0.000 2.322 403 L HA 0.423 4.766 4.340 0.005 0.000 0.279 403 L C -0.864 175.937 176.870 -0.114 0.000 1.036 403 L CA -0.301 54.438 54.840 -0.168 0.000 0.807 403 L CB 1.671 43.599 42.059 -0.219 0.000 1.226 403 L HN 0.011 nan 8.230 nan 0.000 0.433 404 E N 3.705 123.827 120.200 -0.131 0.000 2.222 404 E HA 0.462 4.815 4.350 0.005 0.000 0.267 404 E C -1.700 174.799 176.600 -0.168 0.000 0.884 404 E CA -0.847 55.498 56.400 -0.092 0.000 0.764 404 E CB 2.400 32.064 29.700 -0.061 0.000 1.169 404 E HN 0.461 nan 8.360 nan 0.000 0.413 405 L N 4.242 125.381 121.223 -0.140 0.000 2.325 405 L HA 0.399 4.741 4.340 0.005 0.000 0.281 405 L C -1.883 174.839 176.870 -0.247 0.000 1.004 405 L CA -0.686 53.993 54.840 -0.267 0.000 0.823 405 L CB 0.904 42.830 42.059 -0.223 0.000 1.236 405 L HN 0.367 nan 8.230 nan 0.000 0.415 406 L N 4.762 125.763 121.223 -0.370 0.000 2.309 406 L HA 0.754 5.097 4.340 0.005 0.000 0.282 406 L C 0.667 177.244 176.870 -0.489 0.000 1.036 406 L CA -0.232 54.349 54.840 -0.432 0.000 0.806 406 L CB 1.559 43.125 42.059 -0.821 0.000 1.220 406 L HN 0.754 nan 8.230 nan 0.000 0.429 407 G N 1.942 110.584 108.800 -0.263 0.000 2.415 407 G HA2 0.682 4.644 3.960 0.005 0.000 0.317 407 G HA3 0.682 4.644 3.960 0.005 0.000 0.317 407 G C -0.948 173.885 174.900 -0.113 0.000 1.152 407 G CA -0.298 44.671 45.100 -0.219 0.000 0.956 407 G HN 0.784 nan 8.290 nan 0.000 0.458 408 A N 4.664 127.298 122.820 -0.311 0.000 2.331 408 A HA 0.835 5.158 4.320 0.005 0.000 0.320 408 A C -2.169 175.386 177.584 -0.047 0.000 1.138 408 A CA -1.761 50.185 52.037 -0.152 0.000 0.790 408 A CB 2.121 20.692 19.000 -0.715 0.000 1.206 408 A HN 0.426 nan 8.150 nan 0.000 0.470 409 P HA 0.384 nan 4.420 nan 0.000 0.235 409 P C -0.156 177.096 177.300 -0.080 0.000 1.725 409 P CA 0.679 63.790 63.100 0.018 0.000 0.894 409 P CB 0.047 31.773 31.700 0.043 0.000 1.704 410 A N -0.061 122.686 122.820 -0.123 0.000 2.493 410 A HA 0.496 4.819 4.320 0.005 0.000 0.300 410 A C -1.233 176.020 177.584 -0.552 0.000 1.152 410 A CA -0.719 51.058 52.037 -0.433 0.000 0.643 410 A CB 0.887 19.585 19.000 -0.503 0.000 1.316 410 A HN 0.041 nan 8.150 nan 0.000 0.469 411 E N 0.638 120.374 120.200 -0.773 0.000 2.046 411 E HA 0.460 4.813 4.350 0.005 0.000 0.279 411 E C -1.633 174.772 176.600 -0.324 0.000 0.989 411 E CA 0.011 55.982 56.400 -0.715 0.000 0.798 411 E CB 0.702 29.870 29.700 -0.887 0.000 1.086 411 E HN 0.350 nan 8.360 nan 0.000 0.399 412 F N 1.648 121.478 119.950 -0.200 0.000 2.404 412 F HA 0.126 4.656 4.527 0.004 0.000 0.339 412 F C 1.437 177.220 175.800 -0.028 0.000 1.105 412 F CA -0.758 57.181 58.000 -0.102 0.000 1.087 412 F CB 1.217 40.108 39.000 -0.182 0.000 1.143 412 F HN 0.241 nan 8.300 nan 0.000 0.491 413 T N -0.689 113.950 114.554 0.142 0.000 2.748 413 T HA 0.173 4.526 4.350 0.005 0.000 0.304 413 T C 1.336 176.066 174.700 0.050 0.000 1.041 413 T CA -0.808 61.371 62.100 0.132 0.000 1.033 413 T CB 0.744 69.686 68.868 0.124 0.000 0.995 413 T HN 0.334 nan 8.240 nan 0.000 0.536 414 V N 0.965 120.898 119.914 0.031 0.000 2.231 414 V HA -0.212 3.911 4.120 0.005 0.000 0.250 414 V C 2.753 178.745 176.094 -0.170 0.000 1.058 414 V CA 2.026 64.278 62.300 -0.081 0.000 1.022 414 V CB -0.824 30.953 31.823 -0.076 0.000 0.640 414 V HN 0.794 nan 8.190 nan 0.000 0.445 415 M N -0.564 118.993 119.600 -0.073 0.000 2.319 415 M HA 0.021 4.504 4.480 0.005 0.000 0.265 415 M C 2.293 178.535 176.300 -0.097 0.000 1.068 415 M CA 1.677 56.901 55.300 -0.127 0.000 1.118 415 M CB -1.652 30.901 32.600 -0.078 0.000 1.395 415 M HN 0.411 nan 8.290 nan 0.000 0.435 416 A N 0.196 122.994 122.820 -0.035 0.000 1.902 416 A HA 0.024 4.347 4.320 0.005 0.000 0.217 416 A C 2.433 179.947 177.584 -0.117 0.000 1.181 416 A CA 1.926 53.980 52.037 0.029 0.000 0.623 416 A CB -1.302 17.774 19.000 0.127 0.000 0.818 416 A HN 0.486 nan 8.150 nan 0.000 0.443 417 G N -0.776 107.811 108.800 -0.356 0.000 2.394 417 G HA2 -0.016 3.947 3.960 0.005 0.000 0.215 417 G HA3 -0.016 3.947 3.960 0.005 0.000 0.215 417 G C 1.492 175.996 174.900 -0.660 0.000 1.165 417 G CA 1.045 45.541 45.100 -1.006 0.000 0.784 417 G HN 0.281 nan 8.290 nan 0.000 0.535 418 V N 0.796 120.469 119.914 -0.400 0.000 2.332 418 V HA -0.199 3.923 4.120 0.005 0.000 0.248 418 V C 2.927 178.922 176.094 -0.165 0.000 1.055 418 V CA 2.021 64.157 62.300 -0.273 0.000 1.038 418 V CB -0.484 31.122 31.823 -0.363 0.000 0.651 418 V HN 0.302 nan 8.190 nan 0.000 0.450 419 R N -0.509 119.912 120.500 -0.132 0.000 2.096 419 R HA -0.103 4.240 4.340 0.005 0.000 0.235 419 R C 2.227 178.518 176.300 -0.014 0.000 1.127 419 R CA 1.650 57.729 56.100 -0.034 0.000 0.968 419 R CB -0.373 29.937 30.300 0.018 0.000 0.861 419 R HN 0.469 nan 8.270 nan 0.000 0.440 420 I N 0.244 120.767 120.570 -0.080 0.000 2.252 420 I HA -0.244 3.929 4.170 0.005 0.000 0.245 420 I C 2.471 178.556 176.117 -0.053 0.000 1.102 420 I CA 1.078 62.356 61.300 -0.037 0.000 1.385 420 I CB -0.266 37.685 38.000 -0.083 0.000 1.064 420 I HN 0.120 nan 8.210 nan 0.000 0.414 421 R N 0.827 121.254 120.500 -0.122 0.000 2.096 421 R HA -0.179 4.164 4.340 0.005 0.000 0.240 421 R C 2.430 178.716 176.300 -0.024 0.000 1.139 421 R CA 1.543 57.601 56.100 -0.070 0.000 0.952 421 R CB -0.523 29.728 30.300 -0.082 0.000 0.854 421 R HN 0.400 nan 8.270 nan 0.000 0.436 422 R N 0.100 120.594 120.500 -0.011 0.000 2.092 422 R HA -0.055 4.288 4.340 0.005 0.000 0.231 422 R C 2.347 178.666 176.300 0.032 0.000 1.119 422 R CA 1.290 57.400 56.100 0.016 0.000 0.970 422 R CB -0.307 30.010 30.300 0.029 0.000 0.864 422 R HN 0.221 nan 8.270 nan 0.000 0.440 423 A N 0.490 123.342 122.820 0.054 0.000 1.898 423 A HA -0.094 4.228 4.320 0.005 0.000 0.216 423 A C 2.306 179.941 177.584 0.084 0.000 1.181 423 A CA 1.227 53.320 52.037 0.094 0.000 0.620 423 A CB -0.425 18.674 19.000 0.165 0.000 0.819 423 A HN 0.110 nan 8.150 nan 0.000 0.442 424 V N -0.106 119.847 119.914 0.064 0.000 2.358 424 V HA -0.260 3.862 4.120 0.005 0.000 0.246 424 V C 2.745 178.851 176.094 0.020 0.000 1.047 424 V CA 2.310 64.641 62.300 0.051 0.000 1.035 424 V CB -0.715 31.124 31.823 0.028 0.000 0.658 424 V HN 0.710 nan 8.190 nan 0.000 0.452 425 Q N 0.819 120.619 119.800 0.000 0.000 2.096 425 Q HA -0.168 4.175 4.340 0.005 0.000 0.204 425 Q C 2.094 178.089 176.000 -0.008 0.000 0.982 425 Q CA 2.320 58.113 55.803 -0.018 0.000 0.850 425 Q CB -0.629 28.093 28.738 -0.027 0.000 0.901 425 Q HN 0.587 nan 8.270 nan 0.000 0.422 426 A N 0.184 123.010 122.820 0.009 0.000 1.902 426 A HA -0.036 4.286 4.320 0.005 0.000 0.217 426 A C 2.286 179.879 177.584 0.015 0.000 1.181 426 A CA 1.926 53.970 52.037 0.011 0.000 0.623 426 A CB -1.159 17.853 19.000 0.021 0.000 0.818 426 A HN 0.536 nan 8.150 nan 0.000 0.443 427 A N -1.007 121.832 122.820 0.031 0.000 1.969 427 A HA 0.032 4.355 4.320 0.005 0.000 0.218 427 A C 2.224 179.821 177.584 0.021 0.000 1.169 427 A CA 1.833 53.892 52.037 0.036 0.000 0.635 427 A CB -0.445 18.592 19.000 0.062 0.000 0.810 427 A HN 0.428 nan 8.150 nan 0.000 0.445 428 S N -0.711 114.995 115.700 0.010 0.000 2.548 428 S HA 0.026 4.499 4.470 0.005 0.000 0.215 428 S C 1.629 176.217 174.600 -0.020 0.000 0.976 428 S CA 0.075 58.274 58.200 -0.003 0.000 0.908 428 S CB 0.025 63.221 63.200 -0.008 0.000 0.781 428 S HN 0.528 nan 8.310 nan 0.000 0.519 429 E N 2.517 122.703 120.200 -0.024 0.000 2.070 429 E HA -0.163 4.190 4.350 0.005 0.000 0.197 429 E C 2.119 178.702 176.600 -0.029 0.000 1.004 429 E CA 1.321 57.700 56.400 -0.036 0.000 0.805 429 E CB -0.262 29.420 29.700 -0.030 0.000 0.744 429 E HN 0.501 nan 8.360 nan 0.000 0.451 430 A N 0.588 123.398 122.820 -0.017 0.000 2.070 430 A HA -0.031 4.292 4.320 0.005 0.000 0.220 430 A C 2.176 179.752 177.584 -0.013 0.000 1.159 430 A CA 1.604 53.633 52.037 -0.013 0.000 0.656 430 A CB -0.297 18.699 19.000 -0.006 0.000 0.800 430 A HN 0.262 nan 8.150 nan 0.000 0.453 431 A N -1.893 120.919 122.820 -0.013 0.000 2.238 431 A HA 0.417 4.740 4.320 0.005 0.000 0.208 431 A C 1.718 179.290 177.584 -0.019 0.000 1.177 431 A CA 1.166 53.196 52.037 -0.011 0.000 0.804 431 A CB -0.735 18.262 19.000 -0.003 0.000 0.823 431 A HN 1.812 nan 8.150 nan 0.000 0.482 432 G N -0.999 107.783 108.800 -0.030 0.000 2.141 432 G HA2 -0.163 3.800 3.960 0.005 0.000 0.231 432 G HA3 -0.163 3.800 3.960 0.005 0.000 0.231 432 G C -0.065 174.798 174.900 -0.061 0.000 0.984 432 G CA 0.009 45.085 45.100 -0.041 0.000 0.660 432 G HN 0.271 nan 8.290 nan 0.000 0.525 433 I N 0.460 120.990 120.570 -0.066 0.000 2.496 433 I HA 0.344 4.517 4.170 0.005 0.000 0.285 433 I C 1.468 177.493 176.117 -0.153 0.000 1.080 433 I CA 0.098 61.341 61.300 -0.096 0.000 1.404 433 I CB 1.081 39.037 38.000 -0.074 0.000 1.403 433 I HN 0.200 nan 8.210 nan 0.000 0.539 434 R N 4.029 124.382 120.500 -0.245 0.000 2.469 434 R HA 0.210 4.553 4.340 0.005 0.000 0.250 434 R C -0.415 175.438 176.300 -0.745 0.000 0.909 434 R CA -0.068 55.765 56.100 -0.446 0.000 1.050 434 R CB 0.679 30.685 30.300 -0.490 0.000 1.256 434 R HN 0.589 nan 8.270 nan 0.000 0.550 435 H N -0.093 118.837 119.070 -0.234 0.000 2.856 435 H HA 0.309 4.868 4.556 0.005 0.000 0.355 435 H C -1.175 174.000 175.328 -0.254 0.000 1.079 435 H CA -0.623 55.250 56.048 -0.291 0.000 1.240 435 H CB 2.550 31.925 29.762 -0.645 0.000 1.701 435 H HN -0.227 nan 8.280 nan 0.000 0.527 436 V N 3.751 123.623 119.914 -0.070 0.000 2.409 436 V HA 0.229 4.352 4.120 0.005 0.000 0.291 436 V C 0.069 176.081 176.094 -0.138 0.000 1.020 436 V CA -0.756 61.475 62.300 -0.115 0.000 0.848 436 V CB 1.912 33.685 31.823 -0.083 0.000 0.990 436 V HN 0.441 nan 8.190 nan 0.000 0.430 437 V N 5.526 125.280 119.914 -0.266 0.000 2.398 437 V HA 0.418 4.540 4.120 0.005 0.000 0.286 437 V C -0.526 175.350 176.094 -0.363 0.000 1.026 437 V CA -0.502 61.566 62.300 -0.387 0.000 0.868 437 V CB 1.582 32.901 31.823 -0.840 0.000 0.982 437 V HN 0.733 nan 8.190 nan 0.000 0.443 438 F N 5.406 125.123 119.950 -0.388 0.000 2.361 438 F HA 0.476 5.006 4.527 0.005 0.000 0.364 438 F C 0.390 176.017 175.800 -0.289 0.000 1.120 438 F CA -0.244 57.518 58.000 -0.397 0.000 1.102 438 F CB 0.654 39.422 39.000 -0.387 0.000 1.183 438 F HN 0.476 nan 8.300 nan 0.000 0.476 439 N N 4.885 123.258 118.700 -0.545 0.000 2.527 439 N HA 0.280 5.023 4.740 0.005 0.000 0.236 439 N C 0.128 175.443 175.510 -0.326 0.000 0.999 439 N CA -0.068 52.883 53.050 -0.164 0.000 0.935 439 N CB 1.179 39.716 38.487 0.084 0.000 1.132 439 N HN 0.831 nan 8.380 nan 0.000 0.511 440 G N 1.321 110.053 108.800 -0.114 0.000 2.653 440 G HA2 0.164 4.127 3.960 0.005 0.000 0.265 440 G HA3 0.164 4.127 3.960 0.005 0.000 0.265 440 G C -0.512 174.427 174.900 0.065 0.000 1.237 440 G CA -0.114 44.918 45.100 -0.113 0.000 0.946 440 G HN 0.686 nan 8.290 nan 0.000 0.522 441 Y N -3.125 117.175 120.300 -0.001 0.000 3.589 441 Y HA -0.138 4.414 4.550 0.003 0.000 0.218 441 Y C 0.997 176.884 175.900 -0.021 0.000 1.234 441 Y CA 0.408 58.497 58.100 -0.018 0.000 1.576 441 Y CB -2.020 36.404 38.460 -0.062 0.000 1.487 441 Y HN 0.853 nan 8.280 nan 0.000 0.616 442 A N -0.056 122.791 122.820 0.046 0.000 2.318 442 A HA 0.706 5.029 4.320 0.005 0.000 0.324 442 A C 0.889 178.460 177.584 -0.022 0.000 1.170 442 A CA 0.053 52.096 52.037 0.011 0.000 0.810 442 A CB 0.683 19.667 19.000 -0.027 0.000 1.198 442 A HN 0.594 nan 8.150 nan 0.000 0.484 443 N N -0.635 118.042 118.700 -0.039 0.000 2.885 443 N HA -0.268 4.474 4.740 0.005 0.000 0.215 443 N C 0.218 175.687 175.510 -0.068 0.000 0.893 443 N CA 1.588 54.536 53.050 -0.170 0.000 1.147 443 N CB -0.852 37.426 38.487 -0.348 0.000 0.967 443 N HN 1.549 nan 8.380 nan 0.000 0.601 444 A N -1.071 121.776 122.820 0.045 0.000 2.557 444 A HA 0.697 5.020 4.320 0.005 0.000 0.292 444 A C -2.192 175.485 177.584 0.155 0.000 1.139 444 A CA -0.412 51.723 52.037 0.163 0.000 0.665 444 A CB 0.978 20.086 19.000 0.180 0.000 1.285 444 A HN 0.267 nan 8.150 nan 0.000 0.433 445 Y N -0.220 120.108 120.300 0.046 0.000 2.354 445 Y HA 0.590 5.142 4.550 0.004 0.000 0.330 445 Y C -0.101 175.772 175.900 -0.045 0.000 1.011 445 Y CA -0.015 58.023 58.100 -0.104 0.000 1.099 445 Y CB 1.919 40.194 38.460 -0.309 0.000 1.179 445 Y HN 1.165 nan 8.280 nan 0.000 0.442 446 A N 4.262 126.731 122.820 -0.585 0.000 2.959 446 A HA 0.621 4.944 4.320 0.005 0.000 0.280 446 A C 0.537 177.858 177.584 -0.438 0.000 0.953 446 A CA 0.367 52.252 52.037 -0.254 0.000 1.047 446 A CB -0.488 18.520 19.000 0.012 0.000 1.147 446 A HN 0.948 nan 8.150 nan 0.000 0.489 447 S N -1.336 113.771 115.700 -0.989 0.000 3.961 447 S HA -0.233 4.240 4.470 0.005 0.000 0.627 447 S C -0.046 174.228 174.600 -0.544 0.000 2.148 447 S CA 1.502 59.386 58.200 -0.527 0.000 4.099 447 S CB -1.035 62.204 63.200 0.065 0.000 0.219 447 S HN 0.830 nan 8.310 nan 0.000 0.744 448 Y N 0.489 120.655 120.300 -0.223 0.000 2.457 448 Y HA 0.663 5.216 4.550 0.005 0.000 0.333 448 Y C 0.149 175.886 175.900 -0.271 0.000 1.119 448 Y CA -0.714 57.256 58.100 -0.216 0.000 1.143 448 Y CB 1.480 39.871 38.460 -0.115 0.000 1.230 448 Y HN 0.420 nan 8.280 nan 0.000 0.469 449 V N 1.822 121.583 119.914 -0.254 0.000 2.525 449 V HA 0.446 4.569 4.120 0.005 0.000 0.299 449 V C -0.368 175.658 176.094 -0.114 0.000 1.034 449 V CA -0.645 61.463 62.300 -0.321 0.000 0.863 449 V CB 1.698 32.917 31.823 -1.006 0.000 0.999 449 V HN 0.836 nan 8.190 nan 0.000 0.423 450 T N 2.913 117.478 114.554 0.018 0.000 2.912 450 T HA 0.575 4.928 4.350 0.005 0.000 0.288 450 T C 0.297 175.041 174.700 0.074 0.000 1.030 450 T CA -0.225 61.916 62.100 0.068 0.000 1.020 450 T CB 1.712 70.638 68.868 0.096 0.000 1.056 450 T HN 0.955 nan 8.240 nan 0.000 0.480 451 T N 0.813 115.405 114.554 0.063 0.000 2.748 451 T HA 0.225 4.578 4.350 0.005 0.000 0.304 451 T C 1.434 176.142 174.700 0.012 0.000 1.041 451 T CA -0.476 61.654 62.100 0.049 0.000 1.033 451 T CB 0.541 69.430 68.868 0.035 0.000 0.995 451 T HN 0.518 nan 8.240 nan 0.000 0.536 452 R N 0.906 121.372 120.500 -0.055 0.000 2.103 452 R HA -0.151 4.192 4.340 0.005 0.000 0.242 452 R C 2.085 178.331 176.300 -0.090 0.000 1.142 452 R CA 2.162 58.130 56.100 -0.220 0.000 0.960 452 R CB -0.980 29.116 30.300 -0.340 0.000 0.858 452 R HN 0.875 nan 8.270 nan 0.000 0.439 453 E N 0.009 120.191 120.200 -0.029 0.000 2.047 453 E HA -0.124 4.229 4.350 0.005 0.000 0.191 453 E C 1.965 178.572 176.600 0.011 0.000 0.987 453 E CA 1.665 58.060 56.400 -0.008 0.000 0.799 453 E CB -0.117 29.579 29.700 -0.006 0.000 0.752 453 E HN 0.496 nan 8.360 nan 0.000 0.449 454 E N -0.185 120.029 120.200 0.023 0.000 2.085 454 E HA -0.230 4.123 4.350 0.005 0.000 0.194 454 E C 1.818 178.438 176.600 0.033 0.000 0.994 454 E CA 1.081 57.500 56.400 0.031 0.000 0.801 454 E CB -0.253 29.475 29.700 0.047 0.000 0.743 454 E HN 0.311 nan 8.360 nan 0.000 0.453 455 Y N 1.122 121.373 120.300 -0.083 0.000 2.151 455 Y HA -0.305 4.248 4.550 0.004 0.000 0.284 455 Y C 2.225 178.065 175.900 -0.099 0.000 1.166 455 Y CA 1.570 59.608 58.100 -0.104 0.000 1.163 455 Y CB -0.255 38.111 38.460 -0.156 0.000 0.974 455 Y HN 0.027 nan 8.280 nan 0.000 0.511 456 A N 0.201 123.072 122.820 0.086 0.000 1.972 456 A HA -0.131 4.192 4.320 0.005 0.000 0.219 456 A C 2.338 179.887 177.584 -0.058 0.000 1.169 456 A CA 1.676 53.725 52.037 0.021 0.000 0.635 456 A CB -1.348 17.665 19.000 0.022 0.000 0.810 456 A HN 0.607 nan 8.150 nan 0.000 0.446 457 A N -2.269 120.515 122.820 -0.059 0.000 2.014 457 A HA 0.025 4.348 4.320 0.005 0.000 0.218 457 A C 1.113 178.637 177.584 -0.100 0.000 1.163 457 A CA 1.189 53.191 52.037 -0.059 0.000 0.652 457 A CB -0.230 18.753 19.000 -0.029 0.000 0.808 457 A HN 0.472 nan 8.150 nan 0.000 0.449 458 Q N -0.077 119.615 119.800 -0.180 0.000 2.453 458 Q HA -0.184 4.158 4.340 0.005 0.000 0.294 458 Q C -0.294 175.626 176.000 -0.134 0.000 1.295 458 Q CA 1.191 56.858 55.803 -0.228 0.000 0.853 458 Q CB -1.847 26.750 28.738 -0.236 0.000 1.193 458 Q HN 0.884 nan 8.270 nan 0.000 0.461 459 E N -1.022 119.122 120.200 -0.093 0.000 2.620 459 E HA 0.034 4.387 4.350 0.005 0.000 0.255 459 E C 0.909 177.480 176.600 -0.049 0.000 1.346 459 E CA -0.312 56.066 56.400 -0.036 0.000 1.013 459 E CB 0.097 29.795 29.700 -0.003 0.000 1.131 459 E HN 0.247 nan 8.360 nan 0.000 0.608 460 Y N 1.300 121.524 120.300 -0.127 0.000 2.114 460 Y HA -0.278 4.275 4.550 0.004 0.000 0.282 460 Y C 1.837 177.580 175.900 -0.262 0.000 1.165 460 Y CA 2.314 60.312 58.100 -0.170 0.000 1.148 460 Y CB -0.048 38.313 38.460 -0.165 0.000 0.972 460 Y HN 0.504 nan 8.280 nan 0.000 0.504 461 E N -0.339 119.646 120.200 -0.358 0.000 2.153 461 E HA -0.084 4.269 4.350 0.005 0.000 0.194 461 E C 2.430 178.865 176.600 -0.275 0.000 0.988 461 E CA 1.226 57.349 56.400 -0.462 0.000 0.811 461 E CB -0.775 28.841 29.700 -0.140 0.000 0.746 461 E HN 0.608 nan 8.360 nan 0.000 0.466 462 G N 0.183 108.845 108.800 -0.231 0.000 2.403 462 G HA2 -0.159 3.804 3.960 0.005 0.000 0.216 462 G HA3 -0.159 3.804 3.960 0.005 0.000 0.216 462 G C 1.637 176.310 174.900 -0.377 0.000 1.154 462 G CA 0.550 45.481 45.100 -0.281 0.000 0.784 462 G HN 0.414 nan 8.290 nan 0.000 0.538 463 G N 0.278 108.874 108.800 -0.340 0.000 2.432 463 G HA2 -0.069 3.894 3.960 0.005 0.000 0.219 463 G HA3 -0.069 3.894 3.960 0.005 0.000 0.219 463 G C 1.668 176.428 174.900 -0.234 0.000 1.135 463 G CA 1.220 46.151 45.100 -0.283 0.000 0.767 463 G HN 0.403 nan 8.290 nan 0.000 0.550 464 S N 0.155 115.678 115.700 -0.295 0.000 2.582 464 S HA 0.167 4.640 4.470 0.005 0.000 0.234 464 S C 0.527 175.108 174.600 -0.032 0.000 0.961 464 S CA -0.222 57.877 58.200 -0.168 0.000 0.953 464 S CB 0.409 63.466 63.200 -0.237 0.000 0.800 464 S HN 0.201 nan 8.310 nan 0.000 0.471 465 T N 3.271 117.816 114.554 -0.016 0.000 2.992 465 T HA 0.270 4.622 4.350 0.005 0.000 0.299 465 T C 1.393 176.118 174.700 0.042 0.000 1.027 465 T CA -0.097 62.052 62.100 0.083 0.000 1.001 465 T CB 0.171 69.182 68.868 0.238 0.000 1.005 465 T HN 0.242 nan 8.240 nan 0.000 0.599 466 L N 2.029 123.151 121.223 -0.168 0.000 2.046 466 L HA -0.090 4.253 4.340 0.005 0.000 0.208 466 L C 1.304 177.935 176.870 -0.399 0.000 1.077 466 L CA 1.545 56.122 54.840 -0.438 0.000 0.747 466 L CB -0.398 41.099 42.059 -0.937 0.000 0.896 466 L HN 0.669 nan 8.230 nan 0.000 0.432 467 Y N -0.117 120.253 120.300 0.116 0.000 2.532 467 Y HA 0.443 4.994 4.550 0.003 0.000 0.283 467 Y C 1.277 177.191 175.900 0.023 0.000 1.181 467 Y CA 0.105 58.260 58.100 0.092 0.000 1.256 467 Y CB -0.352 38.202 38.460 0.156 0.000 1.112 467 Y HN 0.209 nan 8.280 nan 0.000 0.521 468 G N 0.808 109.645 108.800 0.060 0.000 2.610 468 G HA2 -0.202 3.760 3.960 0.005 0.000 0.304 468 G HA3 -0.202 3.760 3.960 0.005 0.000 0.304 468 G C -2.013 172.447 174.900 -0.733 0.000 1.309 468 G CA -0.501 44.496 45.100 -0.172 0.000 0.906 468 G HN 0.003 nan 8.290 nan 0.000 0.521 469 P HA -0.028 nan 4.420 nan 0.000 0.220 469 P C 0.942 177.615 177.300 -1.044 0.000 1.148 469 P CA 1.887 64.005 63.100 -1.636 0.000 0.803 469 P CB -0.032 30.848 31.700 -1.366 0.000 0.782 470 W N -0.362 120.784 121.300 -0.256 0.000 3.223 470 W HA 0.196 4.858 4.660 0.004 0.000 0.389 470 W C 1.767 178.248 176.519 -0.063 0.000 1.118 470 W CA -0.115 57.159 57.345 -0.117 0.000 1.902 470 W CB -0.748 28.657 29.460 -0.092 0.000 1.094 470 W HN -0.174 nan 8.180 nan 0.000 0.666 471 T N 0.258 114.864 114.554 0.085 0.000 2.665 471 T HA -0.315 4.038 4.350 0.005 0.000 0.268 471 T C 1.965 176.840 174.700 0.292 0.000 1.035 471 T CA 1.661 63.879 62.100 0.196 0.000 1.151 471 T CB -0.187 68.847 68.868 0.278 0.000 0.862 471 T HN 0.155 nan 8.240 nan 0.000 0.438 472 Q N 0.912 120.863 119.800 0.252 0.000 2.084 472 Q HA -0.072 4.271 4.340 0.005 0.000 0.202 472 Q C 2.562 178.755 176.000 0.322 0.000 0.978 472 Q CA 1.844 57.841 55.803 0.323 0.000 0.844 472 Q CB -0.519 28.344 28.738 0.208 0.000 0.898 472 Q HN 0.537 nan 8.270 nan 0.000 0.426 473 A N 0.834 123.825 122.820 0.286 0.000 1.908 473 A HA -0.125 4.198 4.320 0.005 0.000 0.218 473 A C 2.340 179.952 177.584 0.046 0.000 1.181 473 A CA 2.106 54.296 52.037 0.256 0.000 0.627 473 A CB -0.870 18.364 19.000 0.391 0.000 0.818 473 A HN 0.507 nan 8.150 nan 0.000 0.445 474 A N -1.315 121.503 122.820 -0.003 0.000 1.877 474 A HA -0.108 4.215 4.320 0.005 0.000 0.216 474 A C 2.094 179.542 177.584 -0.227 0.000 1.186 474 A CA 1.661 53.546 52.037 -0.253 0.000 0.620 474 A CB -0.880 17.838 19.000 -0.469 0.000 0.822 474 A HN 0.570 nan 8.150 nan 0.000 0.443 475 Y N -0.328 120.005 120.300 0.054 0.000 2.224 475 Y HA -0.222 4.331 4.550 0.004 0.000 0.289 475 Y C 2.722 178.743 175.900 0.202 0.000 1.146 475 Y CA 1.851 60.090 58.100 0.232 0.000 1.182 475 Y CB -0.453 38.358 38.460 0.585 0.000 0.983 475 Y HN 0.501 nan 8.280 nan 0.000 0.524 476 Q N 0.135 120.087 119.800 0.253 0.000 2.084 476 Q HA -0.285 4.058 4.340 0.005 0.000 0.202 476 Q C 2.384 178.223 176.000 -0.268 0.000 0.978 476 Q CA 1.836 57.709 55.803 0.117 0.000 0.844 476 Q CB -0.152 28.683 28.738 0.162 0.000 0.898 476 Q HN 0.585 nan 8.270 nan 0.000 0.426 477 Q N 0.024 119.341 119.800 -0.805 0.000 2.061 477 Q HA -0.201 4.142 4.340 0.005 0.000 0.204 477 Q C 2.072 177.791 176.000 -0.468 0.000 0.984 477 Q CA 1.571 56.644 55.803 -1.216 0.000 0.846 477 Q CB -0.136 27.951 28.738 -1.085 0.000 0.902 477 Q HN 0.479 nan 8.270 nan 0.000 0.421 478 L N -0.432 120.594 121.223 -0.329 0.000 2.017 478 L HA -0.175 4.168 4.340 0.005 0.000 0.208 478 L C 2.317 179.040 176.870 -0.244 0.000 1.073 478 L CA 1.139 55.803 54.840 -0.295 0.000 0.745 478 L CB -0.455 41.388 42.059 -0.360 0.000 0.894 478 L HN 0.244 nan 8.230 nan 0.000 0.432 479 F N -0.837 119.087 119.950 -0.042 0.000 2.186 479 F HA -0.161 4.368 4.527 0.004 0.000 0.299 479 F C 2.377 178.169 175.800 -0.012 0.000 1.090 479 F CA 1.011 59.003 58.000 -0.012 0.000 1.307 479 F CB -0.758 38.260 39.000 0.030 0.000 1.019 479 F HN -0.237 nan 8.300 nan 0.000 0.489 480 V N -0.039 119.966 119.914 0.151 0.000 2.343 480 V HA -0.277 3.846 4.120 0.005 0.000 0.247 480 V C 1.944 178.093 176.094 0.092 0.000 1.051 480 V CA 2.054 64.438 62.300 0.140 0.000 1.036 480 V CB -0.529 31.427 31.823 0.222 0.000 0.654 480 V HN 0.206 nan 8.190 nan 0.000 0.451 481 D N -0.625 119.793 120.400 0.029 0.000 2.144 481 D HA -0.214 4.429 4.640 0.005 0.000 0.199 481 D C 2.007 178.314 176.300 0.011 0.000 0.984 481 D CA 1.536 55.544 54.000 0.013 0.000 0.834 481 D CB -0.264 40.513 40.800 -0.037 0.000 0.955 481 D HN 0.405 nan 8.370 nan 0.000 0.465 482 M N 0.309 119.909 119.600 -0.001 0.000 2.132 482 M HA -0.117 4.365 4.480 0.005 0.000 0.263 482 M C 1.984 178.317 176.300 0.056 0.000 1.065 482 M CA 1.527 56.835 55.300 0.013 0.000 1.122 482 M CB 0.119 32.713 32.600 -0.011 0.000 1.365 482 M HN 0.003 nan 8.290 nan 0.000 0.411 483 A N -0.407 122.463 122.820 0.083 0.000 1.902 483 A HA -0.112 4.211 4.320 0.005 0.000 0.217 483 A C 2.037 179.654 177.584 0.055 0.000 1.181 483 A CA 1.857 53.939 52.037 0.076 0.000 0.623 483 A CB -1.121 17.930 19.000 0.085 0.000 0.818 483 A HN 0.410 nan 8.150 nan 0.000 0.443 484 V N -0.121 119.825 119.914 0.054 0.000 2.343 484 V HA -0.252 3.871 4.120 0.005 0.000 0.247 484 V C 3.072 179.186 176.094 0.034 0.000 1.051 484 V CA 1.904 64.230 62.300 0.043 0.000 1.036 484 V CB -1.262 30.589 31.823 0.047 0.000 0.654 484 V HN 0.626 nan 8.190 nan 0.000 0.451 485 A N -0.312 122.528 122.820 0.033 0.000 1.892 485 A HA -0.231 4.091 4.320 0.005 0.000 0.218 485 A C 2.248 179.852 177.584 0.034 0.000 1.188 485 A CA 2.115 54.170 52.037 0.029 0.000 0.631 485 A CB -0.646 18.369 19.000 0.025 0.000 0.822 485 A HN 0.486 nan 8.150 nan 0.000 0.447 486 L N -1.125 120.123 121.223 0.042 0.000 2.012 486 L HA -0.237 4.106 4.340 0.005 0.000 0.210 486 L C 2.850 179.739 176.870 0.032 0.000 1.073 486 L CA 2.015 56.881 54.840 0.043 0.000 0.748 486 L CB -0.395 41.695 42.059 0.053 0.000 0.891 486 L HN 0.496 nan 8.230 nan 0.000 0.431 487 R N -0.140 120.377 120.500 0.029 0.000 2.091 487 R HA -0.172 4.171 4.340 0.005 0.000 0.238 487 R C 1.765 178.076 176.300 0.017 0.000 1.136 487 R CA 1.488 57.600 56.100 0.020 0.000 0.959 487 R CB 0.013 30.325 30.300 0.020 0.000 0.856 487 R HN 0.284 nan 8.270 nan 0.000 0.437 488 E N 0.432 120.644 120.200 0.019 0.000 2.489 488 E HA -0.008 4.345 4.350 0.005 0.000 0.193 488 E C -0.025 176.585 176.600 0.016 0.000 1.057 488 E CA 0.109 56.518 56.400 0.016 0.000 0.866 488 E CB 0.355 30.065 29.700 0.016 0.000 0.916 488 E HN 0.266 nan 8.360 nan 0.000 0.500 489 R N -0.497 120.015 120.500 0.020 0.000 3.654 489 R HA -0.160 4.182 4.340 0.005 0.000 0.302 489 R C -0.252 176.062 176.300 0.022 0.000 1.166 489 R CA 0.385 56.497 56.100 0.020 0.000 0.810 489 R CB -2.764 27.545 30.300 0.015 0.000 1.323 489 R HN 0.152 nan 8.270 nan 0.000 0.478 490 L N 0.940 122.177 121.223 0.024 0.000 2.330 490 L HA 0.604 4.947 4.340 0.005 0.000 0.271 490 L C -1.891 174.997 176.870 0.029 0.000 1.013 490 L CA -2.409 52.445 54.840 0.024 0.000 0.816 490 L CB 1.402 43.473 42.059 0.020 0.000 1.287 490 L HN -0.240 nan 8.230 nan 0.000 0.435 491 P HA 0.109 nan 4.420 nan 0.000 0.272 491 P C -0.567 176.751 177.300 0.029 0.000 1.230 491 P CA -0.355 62.767 63.100 0.036 0.000 0.788 491 P CB 0.661 32.383 31.700 0.036 0.000 0.949 492 V N -1.223 118.709 119.914 0.031 0.000 3.295 492 V HA 0.349 4.472 4.120 0.005 0.000 0.308 492 V C 0.595 176.698 176.094 0.014 0.000 1.068 492 V CA -0.771 61.536 62.300 0.012 0.000 1.062 492 V CB -0.053 31.766 31.823 -0.006 0.000 1.162 492 V HN 0.550 nan 8.190 nan 0.000 0.456 493 E N 0.368 120.567 120.200 -0.002 0.000 2.404 493 E HA 0.120 4.473 4.350 0.005 0.000 0.261 493 E C 0.020 176.635 176.600 0.026 0.000 1.074 493 E CA -0.308 56.095 56.400 0.006 0.000 0.917 493 E CB -0.262 29.433 29.700 -0.008 0.000 0.965 493 E HN 0.728 nan 8.360 nan 0.000 0.433 494 T N 2.008 116.586 114.554 0.040 0.000 2.933 494 T HA 0.036 4.389 4.350 0.005 0.000 0.306 494 T C 0.370 175.121 174.700 0.085 0.000 1.045 494 T CA 0.020 62.160 62.100 0.066 0.000 1.143 494 T CB 0.295 69.200 68.868 0.061 0.000 1.003 494 T HN 0.371 nan 8.240 nan 0.000 0.540 495 S N 1.818 117.600 115.700 0.137 0.000 2.562 495 S HA 0.435 4.907 4.470 0.005 0.000 0.281 495 S C 0.794 175.506 174.600 0.188 0.000 1.333 495 S CA -0.710 57.613 58.200 0.203 0.000 1.052 495 S CB 0.417 63.832 63.200 0.358 0.000 0.884 495 S HN 0.881 nan 8.310 nan 0.000 0.506 496 A N 3.040 125.973 122.820 0.188 0.000 2.257 496 A HA 0.688 5.010 4.320 0.005 0.000 0.290 496 A C -0.359 177.304 177.584 0.132 0.000 1.201 496 A CA -0.438 51.678 52.037 0.132 0.000 0.863 496 A CB 0.228 19.288 19.000 0.099 0.000 1.256 496 A HN 0.651 nan 8.150 nan 0.000 0.506 497 I N 0.423 121.010 120.570 0.027 0.000 2.411 497 I HA 0.390 4.562 4.170 0.005 0.000 0.284 497 I C 0.470 176.510 176.117 -0.129 0.000 1.012 497 I CA -0.341 60.954 61.300 -0.008 0.000 1.119 497 I CB 0.635 38.646 38.000 0.019 0.000 1.261 497 I HN 0.681 nan 8.210 nan 0.000 0.448 498 A N 9.106 131.716 122.820 -0.349 0.000 2.409 498 A HA 0.603 4.926 4.320 0.005 0.000 0.267 498 A C -2.207 175.297 177.584 -0.133 0.000 1.127 498 A CA -0.902 50.889 52.037 -0.411 0.000 0.795 498 A CB -0.502 17.992 19.000 -0.843 0.000 1.061 498 A HN 0.450 nan 8.150 nan 0.000 0.502 499 P HA 0.110 nan 4.420 nan 0.000 0.265 499 P C -0.757 176.546 177.300 0.004 0.000 1.193 499 P CA 0.103 63.223 63.100 0.033 0.000 0.765 499 P CB 0.539 32.309 31.700 0.118 0.000 0.823 500 D N 2.921 123.313 120.400 -0.013 0.000 2.359 500 D HA 0.129 4.772 4.640 0.005 0.000 0.230 500 D C 0.286 176.505 176.300 -0.136 0.000 1.118 500 D CA -0.127 53.850 54.000 -0.038 0.000 0.844 500 D CB 0.359 41.149 40.800 -0.017 0.000 1.059 500 D HN 0.244 nan 8.370 nan 0.000 0.493 501 L N 2.974 124.055 121.223 -0.237 0.000 2.769 501 L HA 0.032 4.375 4.340 0.005 0.000 0.240 501 L C 2.034 178.494 176.870 -0.683 0.000 1.163 501 L CA -0.036 54.480 54.840 -0.538 0.000 0.962 501 L CB 0.001 41.632 42.059 -0.714 0.000 1.258 501 L HN 0.344 nan 8.230 nan 0.000 0.513 502 S N -1.308 114.092 115.700 -0.500 0.000 2.419 502 S HA -0.182 4.290 4.470 0.005 0.000 0.233 502 S C 1.685 175.980 174.600 -0.508 0.000 1.016 502 S CA 0.739 58.560 58.200 -0.631 0.000 0.974 502 S CB -0.601 62.467 63.200 -0.220 0.000 0.786 502 S HN 0.496 nan 8.310 nan 0.000 0.492 503 C N 1.257 120.353 119.300 -0.340 0.000 2.576 503 C HA 0.308 4.771 4.460 0.005 0.000 0.267 503 C C 2.109 176.962 174.990 -0.230 0.000 1.364 503 C CA -0.147 58.732 59.018 -0.232 0.000 1.723 503 C CB -1.757 25.909 27.740 -0.125 0.000 1.778 503 C HN 0.887 nan 8.230 nan 0.000 0.572 504 C N -1.983 117.115 119.300 -0.335 0.000 3.255 504 C HA 0.235 4.698 4.460 0.005 0.000 0.282 504 C C 0.301 175.135 174.990 -0.260 0.000 1.441 504 C CA -0.455 58.424 59.018 -0.231 0.000 1.785 504 C CB -1.350 26.288 27.740 -0.169 0.000 2.583 504 C HN 0.401 nan 8.230 nan 0.000 0.615 505 Q N 1.728 121.289 119.800 -0.399 0.000 2.311 505 Q HA 0.415 4.758 4.340 0.005 0.000 0.272 505 Q C -0.132 175.778 176.000 -0.151 0.000 1.012 505 Q CA 0.966 56.541 55.803 -0.379 0.000 0.891 505 Q CB 0.844 29.152 28.738 -0.717 0.000 1.201 505 Q HN 0.653 nan 8.270 nan 0.000 0.391 506 M N 2.119 121.709 119.600 -0.017 0.000 2.478 506 M HA 0.365 4.848 4.480 0.005 0.000 0.327 506 M C -0.032 176.197 176.300 -0.119 0.000 1.187 506 M CA -0.663 54.650 55.300 0.020 0.000 1.022 506 M CB 1.328 34.135 32.600 0.345 0.000 1.629 506 M HN 0.499 nan 8.290 nan 0.000 0.461 507 N N 0.461 118.991 118.700 -0.284 0.000 2.406 507 N HA 0.402 5.145 4.740 0.005 0.000 0.283 507 N C -1.553 173.651 175.510 -0.509 0.000 1.074 507 N CA -0.404 52.464 53.050 -0.305 0.000 0.916 507 N CB 1.121 39.488 38.487 -0.200 0.000 1.639 507 N HN 0.527 nan 8.380 nan 0.000 0.485 508 F N 0.140 120.049 119.950 -0.068 0.000 2.688 508 F HA 0.345 4.893 4.527 0.034 0.000 0.310 508 F C 0.570 176.359 175.800 -0.019 0.000 1.098 508 F CA -0.383 57.613 58.000 -0.007 0.000 1.228 508 F CB 0.591 39.623 39.000 0.054 0.000 1.042 508 F HN 0.427 nan 8.300 nan 0.000 0.557 509 Q N 2.329 122.157 119.800 0.047 0.000 2.295 509 Q HA 0.239 4.582 4.340 0.005 0.000 0.259 509 Q C 0.291 176.285 176.000 -0.010 0.000 0.976 509 Q CA -0.297 55.519 55.803 0.022 0.000 0.923 509 Q CB 0.690 29.419 28.738 -0.015 0.000 1.185 509 Q HN 0.309 nan 8.270 nan 0.000 0.410 510 T N 1.065 115.626 114.554 0.012 0.000 2.860 510 T HA 0.633 4.986 4.350 0.005 0.000 0.299 510 T C 0.650 175.323 174.700 -0.044 0.000 1.045 510 T CA -0.337 61.757 62.100 -0.009 0.000 1.071 510 T CB 1.200 70.079 68.868 0.018 0.000 0.985 510 T HN 0.622 nan 8.240 nan 0.000 0.537 511 G N -0.058 108.701 108.800 -0.069 0.000 2.736 511 G HA2 0.538 4.501 3.960 0.005 0.000 0.229 511 G HA3 0.538 4.501 3.960 0.005 0.000 0.229 511 G C -0.705 174.105 174.900 -0.149 0.000 1.380 511 G CA -0.964 44.059 45.100 -0.128 0.000 1.040 511 G HN 0.817 nan 8.290 nan 0.000 0.568 512 V N 0.979 120.769 119.914 -0.207 0.000 2.408 512 V HA 0.147 4.270 4.120 0.005 0.000 0.267 512 V C 1.317 177.383 176.094 -0.047 0.000 1.047 512 V CA -0.410 61.782 62.300 -0.179 0.000 0.937 512 V CB 0.956 32.629 31.823 -0.249 0.000 0.999 512 V HN 0.439 nan 8.190 nan 0.000 0.472 513 V N 3.933 123.863 119.914 0.026 0.000 2.283 513 V HA 0.220 4.342 4.120 0.005 0.000 0.243 513 V C 0.935 177.122 176.094 0.155 0.000 1.039 513 V CA 1.911 64.268 62.300 0.095 0.000 1.016 513 V CB -0.303 31.588 31.823 0.114 0.000 0.650 513 V HN 1.057 nan 8.190 nan 0.000 0.449 514 A N -1.385 121.526 122.820 0.151 0.000 2.549 514 A HA 0.515 4.838 4.320 0.005 0.000 0.291 514 A C -2.084 175.620 177.584 0.199 0.000 1.034 514 A CA -0.713 51.431 52.037 0.179 0.000 0.655 514 A CB 0.742 19.895 19.000 0.254 0.000 1.299 514 A HN 0.199 nan 8.150 nan 0.000 0.427 515 D N 0.895 121.443 120.400 0.247 0.000 2.350 515 D HA 0.591 5.234 4.640 0.005 0.000 0.245 515 D C -1.383 175.196 176.300 0.466 0.000 1.036 515 D CA -0.119 54.098 54.000 0.361 0.000 0.848 515 D CB 1.905 42.919 40.800 0.355 0.000 1.307 515 D HN 0.499 nan 8.370 nan 0.000 0.469 516 D N 0.892 121.540 120.400 0.414 0.000 2.601 516 D HA 0.350 4.993 4.640 0.005 0.000 0.230 516 D C -2.424 173.897 176.300 0.034 0.000 1.106 516 D CA -1.335 52.806 54.000 0.236 0.000 0.873 516 D CB 2.841 43.704 40.800 0.105 0.000 1.515 516 D HN -0.035 nan 8.370 nan 0.000 0.468 517 P HA 0.107 nan 4.420 nan 0.000 0.274 517 P C -0.317 176.977 177.300 -0.010 0.000 1.256 517 P CA -0.147 62.681 63.100 -0.453 0.000 0.795 517 P CB 0.449 31.735 31.700 -0.690 0.000 1.038 518 Y N -0.168 120.062 120.300 -0.117 0.000 2.702 518 Y HA -0.049 4.503 4.550 0.004 0.000 0.336 518 Y C 1.453 177.306 175.900 -0.077 0.000 1.235 518 Y CA -0.606 57.453 58.100 -0.068 0.000 1.492 518 Y CB 0.026 38.457 38.460 -0.048 0.000 1.308 518 Y HN 0.127 nan 8.280 nan 0.000 0.589 519 I N 3.093 123.697 120.570 0.056 0.000 2.906 519 I HA -0.166 4.006 4.170 0.005 0.000 0.301 519 I C 1.314 177.457 176.117 0.044 0.000 1.221 519 I CA 1.232 62.546 61.300 0.023 0.000 1.435 519 I CB -0.504 37.492 38.000 -0.007 0.000 1.345 519 I HN 1.006 nan 8.210 nan 0.000 0.558 520 G N 5.686 114.497 108.800 0.019 0.000 2.162 520 G HA2 -0.273 3.690 3.960 0.005 0.000 0.260 520 G HA3 -0.273 3.690 3.960 0.005 0.000 0.260 520 G C 0.427 175.333 174.900 0.010 0.000 0.976 520 G CA 0.267 45.376 45.100 0.014 0.000 0.655 520 G HN 0.604 nan 8.290 nan 0.000 0.533 521 K N -0.686 119.718 120.400 0.006 0.000 2.349 521 K HA 0.758 5.080 4.320 0.005 0.000 0.243 521 K C -0.549 176.015 176.600 -0.060 0.000 1.058 521 K CA -0.637 55.640 56.287 -0.017 0.000 0.871 521 K CB 1.755 34.244 32.500 -0.018 0.000 1.337 521 K HN 0.096 nan 8.250 nan 0.000 0.469 522 S N 0.239 115.906 115.700 -0.054 0.000 2.600 522 S HA 0.500 4.973 4.470 0.005 0.000 0.300 522 S C -0.777 173.809 174.600 -0.024 0.000 1.087 522 S CA -0.823 57.333 58.200 -0.073 0.000 0.965 522 S CB 0.466 63.676 63.200 0.016 0.000 1.089 522 S HN 0.311 nan 8.310 nan 0.000 0.496 523 F N 2.074 122.093 119.950 0.115 0.000 2.629 523 F HA 0.355 4.886 4.527 0.007 0.000 0.377 523 F C 1.806 177.689 175.800 0.137 0.000 1.101 523 F CA 1.489 59.573 58.000 0.140 0.000 1.301 523 F CB -0.374 38.710 39.000 0.140 0.000 1.062 523 F HN 0.921 nan 8.300 nan 0.000 0.583 524 G N 1.501 110.538 108.800 0.396 0.000 2.217 524 G HA2 -0.268 3.695 3.960 0.005 0.000 0.246 524 G HA3 -0.268 3.695 3.960 0.005 0.000 0.246 524 G C -0.019 175.094 174.900 0.354 0.000 0.990 524 G CA -0.120 45.187 45.100 0.344 0.000 0.627 524 G HN 0.578 nan 8.290 nan 0.000 0.522 525 D N 0.533 121.060 120.400 0.211 0.000 2.443 525 D HA 0.391 5.033 4.640 0.005 0.000 0.239 525 D C 0.856 177.187 176.300 0.051 0.000 1.136 525 D CA 0.044 54.105 54.000 0.101 0.000 0.879 525 D CB 1.451 42.252 40.800 0.001 0.000 1.195 525 D HN 0.190 nan 8.370 nan 0.000 0.443 526 V N 4.117 123.998 119.914 -0.056 0.000 2.455 526 V HA 0.031 4.154 4.120 0.005 0.000 0.273 526 V C 1.492 177.434 176.094 -0.254 0.000 1.045 526 V CA -0.045 62.078 62.300 -0.295 0.000 0.976 526 V CB 0.808 32.450 31.823 -0.301 0.000 0.993 526 V HN 0.459 nan 8.190 nan 0.000 0.475 527 L N 3.194 124.229 121.223 -0.313 0.000 2.249 527 L HA 0.203 4.546 4.340 0.005 0.000 0.207 527 L C 1.105 177.859 176.870 -0.194 0.000 1.090 527 L CA 0.785 55.473 54.840 -0.254 0.000 0.802 527 L CB 0.109 41.992 42.059 -0.293 0.000 0.947 527 L HN 0.674 nan 8.230 nan 0.000 0.453 528 Q N 0.539 120.201 119.800 -0.230 0.000 2.294 528 Q HA 0.226 4.569 4.340 0.005 0.000 0.264 528 Q C -1.071 174.825 176.000 -0.173 0.000 0.992 528 Q CA -0.527 55.179 55.803 -0.162 0.000 0.747 528 Q CB 1.427 30.087 28.738 -0.131 0.000 1.262 528 Q HN 0.064 nan 8.270 nan 0.000 0.452 529 Q N 3.578 123.314 119.800 -0.108 0.000 2.312 529 Q HA 0.388 4.731 4.340 0.005 0.000 0.236 529 Q C -2.169 173.830 176.000 -0.003 0.000 0.965 529 Q CA -1.589 54.181 55.803 -0.054 0.000 0.894 529 Q CB 0.860 29.591 28.738 -0.013 0.000 1.225 529 Q HN 0.552 nan 8.270 nan 0.000 0.478 530 P HA 0.065 nan 4.420 nan 0.000 0.274 530 P C -0.334 177.045 177.300 0.132 0.000 1.237 530 P CA -0.139 63.020 63.100 0.098 0.000 0.793 530 P CB 0.742 32.485 31.700 0.073 0.000 0.977 531 R N 0.945 121.501 120.500 0.093 0.000 2.652 531 R HA 0.156 4.499 4.340 0.005 0.000 0.271 531 R C 1.197 177.484 176.300 -0.021 0.000 1.129 531 R CA -0.479 55.577 56.100 -0.073 0.000 1.200 531 R CB 0.069 30.214 30.300 -0.258 0.000 1.146 531 R HN 0.450 nan 8.270 nan 0.000 0.581 532 E N 0.270 120.450 120.200 -0.033 0.000 2.085 532 E HA -0.169 4.184 4.350 0.005 0.000 0.194 532 E C -0.245 176.426 176.600 0.117 0.000 0.994 532 E CA 1.667 58.108 56.400 0.068 0.000 0.801 532 E CB 0.168 29.886 29.700 0.030 0.000 0.743 532 E HN 0.682 nan 8.360 nan 0.000 0.453 533 S N -2.051 113.606 115.700 -0.071 0.000 2.570 533 S HA 0.549 5.022 4.470 0.005 0.000 0.270 533 S C -1.239 173.202 174.600 -0.265 0.000 1.149 533 S CA -1.023 57.186 58.200 0.014 0.000 0.837 533 S CB 1.189 64.406 63.200 0.029 0.000 1.124 533 S HN 0.155 nan 8.310 nan 0.000 0.465 534 Y N -0.291 120.065 120.300 0.094 0.000 2.615 534 Y HA 0.678 5.231 4.550 0.005 0.000 0.341 534 Y C 0.336 176.234 175.900 -0.003 0.000 1.089 534 Y CA -1.085 57.022 58.100 0.012 0.000 1.049 534 Y CB 1.818 40.258 38.460 -0.032 0.000 1.296 534 Y HN 0.665 nan 8.280 nan 0.000 0.470 535 R N 0.806 121.381 120.500 0.125 0.000 2.828 535 R HA 0.590 4.933 4.340 0.005 0.000 0.264 535 R C -0.954 175.335 176.300 -0.019 0.000 1.022 535 R CA -1.184 54.940 56.100 0.040 0.000 1.021 535 R CB 1.877 32.185 30.300 0.014 0.000 1.163 535 R HN 0.590 nan 8.270 nan 0.000 0.494 536 I N 1.415 121.958 120.570 -0.046 0.000 2.752 536 I HA -0.133 4.039 4.170 0.005 0.000 0.289 536 I C 1.330 177.394 176.117 -0.089 0.000 1.197 536 I CA 1.668 62.910 61.300 -0.095 0.000 1.432 536 I CB 0.395 38.359 38.000 -0.061 0.000 1.359 536 I HN 1.065 nan 8.210 nan 0.000 0.571 537 G N 4.007 112.727 108.800 -0.134 0.000 2.232 537 G HA2 -0.204 3.759 3.960 0.005 0.000 0.226 537 G HA3 -0.204 3.759 3.960 0.005 0.000 0.226 537 G C -0.001 174.831 174.900 -0.115 0.000 0.996 537 G CA -0.398 44.639 45.100 -0.105 0.000 0.626 537 G HN 0.575 nan 8.290 nan 0.000 0.509 538 D N 0.715 121.044 120.400 -0.118 0.000 2.339 538 D HA 0.473 5.116 4.640 0.005 0.000 0.245 538 D C 0.366 176.547 176.300 -0.197 0.000 1.115 538 D CA 0.116 54.067 54.000 -0.081 0.000 0.917 538 D CB 1.177 42.020 40.800 0.071 0.000 1.192 538 D HN 0.354 nan 8.370 nan 0.000 0.428 539 K N 1.095 121.405 120.400 -0.150 0.000 2.240 539 K HA 0.356 4.679 4.320 0.005 0.000 0.271 539 K C -1.143 175.305 176.600 -0.252 0.000 1.018 539 K CA -0.654 55.504 56.287 -0.216 0.000 0.874 539 K CB 0.870 33.278 32.500 -0.153 0.000 1.098 539 K HN 0.108 nan 8.250 nan 0.000 0.458 540 V N 3.858 123.507 119.914 -0.442 0.000 2.461 540 V HA 0.210 4.333 4.120 0.005 0.000 0.275 540 V C -0.139 175.820 176.094 -0.225 0.000 1.047 540 V CA -0.318 61.629 62.300 -0.589 0.000 0.955 540 V CB 1.377 32.664 31.823 -0.893 0.000 0.988 540 V HN 0.802 nan 8.190 nan 0.000 0.471 541 T N 5.038 119.511 114.554 -0.134 0.000 2.809 541 T HA 0.652 5.004 4.350 0.005 0.000 0.284 541 T C -0.319 174.344 174.700 -0.061 0.000 0.992 541 T CA -0.396 61.661 62.100 -0.071 0.000 0.957 541 T CB 1.501 70.333 68.868 -0.059 0.000 0.942 541 T HN 0.720 nan 8.240 nan 0.000 0.439 542 V N 0.114 120.003 119.914 -0.041 0.000 3.158 542 V HA 1.102 5.225 4.120 0.005 0.000 0.311 542 V C -0.956 175.076 176.094 -0.103 0.000 1.181 542 V CA -1.353 60.895 62.300 -0.087 0.000 1.054 542 V CB 1.625 33.407 31.823 -0.068 0.000 1.085 542 V HN 1.120 nan 8.190 nan 0.000 0.446 543 A N 0.756 123.407 122.820 -0.280 0.000 2.589 543 A HA 0.920 5.243 4.320 0.005 0.000 0.296 543 A C -1.633 175.690 177.584 -0.435 0.000 1.062 543 A CA -0.454 51.460 52.037 -0.205 0.000 0.686 543 A CB 1.488 20.402 19.000 -0.143 0.000 1.282 543 A HN 1.018 nan 8.150 nan 0.000 0.404 544 F N 0.466 120.347 119.950 -0.116 0.000 2.576 544 F HA 0.527 5.058 4.527 0.005 0.000 0.313 544 F C 0.257 176.003 175.800 -0.090 0.000 1.078 544 F CA -0.939 57.015 58.000 -0.075 0.000 0.921 544 F CB 2.236 41.241 39.000 0.008 0.000 1.232 544 F HN 0.355 nan 8.300 nan 0.000 0.459 545 V N 1.839 121.806 119.914 0.087 0.000 2.529 545 V HA 0.267 4.390 4.120 0.005 0.000 0.292 545 V C 0.230 176.559 176.094 0.393 0.000 1.028 545 V CA 0.580 62.930 62.300 0.083 0.000 1.074 545 V CB 0.695 32.511 31.823 -0.011 0.000 0.958 545 V HN 0.889 nan 8.190 nan 0.000 0.481 546 T N 3.050 117.885 114.554 0.468 0.000 2.669 546 T HA 0.797 5.150 4.350 0.005 0.000 0.283 546 T C -0.081 174.964 174.700 0.575 0.000 1.019 546 T CA 0.146 62.587 62.100 0.570 0.000 1.039 546 T CB 1.899 71.117 68.868 0.583 0.000 1.374 546 T HN 0.922 nan 8.240 nan 0.000 0.523 547 G N -0.225 108.816 108.800 0.402 0.000 2.630 547 G HA2 0.485 4.448 3.960 0.005 0.000 0.296 547 G HA3 0.485 4.448 3.960 0.005 0.000 0.296 547 G C -1.156 173.987 174.900 0.406 0.000 1.285 547 G CA -0.434 44.852 45.100 0.311 0.000 0.958 547 G HN 0.765 nan 8.290 nan 0.000 0.479 548 H N 1.435 120.630 119.070 0.208 0.000 3.004 548 H HA 0.104 4.667 4.556 0.011 0.000 0.316 548 H C -1.237 173.961 175.328 -0.216 0.000 1.014 548 H CA -1.254 54.702 56.048 -0.154 0.000 1.454 548 H CB 2.002 31.673 29.762 -0.152 0.000 1.472 548 H HN 0.125 nan 8.280 nan 0.000 0.571 549 P HA -0.095 nan 4.420 nan 0.000 0.225 549 P C 0.961 178.322 177.300 0.101 0.000 1.148 549 P CA 0.988 64.096 63.100 0.014 0.000 0.779 549 P CB 0.309 31.866 31.700 -0.237 0.000 0.780 550 K N -0.301 120.189 120.400 0.150 0.000 2.280 550 K HA -0.083 4.239 4.320 0.005 0.000 0.202 550 K C 1.747 178.309 176.600 -0.064 0.000 1.047 550 K CA 0.730 56.986 56.287 -0.053 0.000 0.942 550 K CB -0.311 31.998 32.500 -0.318 0.000 0.739 550 K HN 0.105 nan 8.250 nan 0.000 0.457 551 N N 0.798 119.485 118.700 -0.021 0.000 2.244 551 N HA -0.113 4.630 4.740 0.005 0.000 0.183 551 N C -0.021 175.477 175.510 -0.019 0.000 1.016 551 N CA 1.089 54.123 53.050 -0.027 0.000 0.866 551 N CB 0.119 38.604 38.487 -0.003 0.000 0.980 551 N HN 0.185 nan 8.380 nan 0.000 0.430 552 D N -0.889 119.518 120.400 0.013 0.000 2.804 552 D HA 0.122 4.764 4.640 0.005 0.000 0.209 552 D C 0.504 176.808 176.300 0.006 0.000 1.314 552 D CA -0.308 53.678 54.000 -0.024 0.000 0.894 552 D CB 1.113 41.874 40.800 -0.065 0.000 1.615 552 D HN -0.180 nan 8.370 nan 0.000 0.571 553 L N 2.861 124.064 121.223 -0.034 0.000 2.465 553 L HA 0.116 4.459 4.340 0.005 0.000 0.224 553 L C 1.111 177.887 176.870 -0.158 0.000 1.145 553 L CA 0.277 55.107 54.840 -0.016 0.000 0.834 553 L CB -0.306 41.715 42.059 -0.063 0.000 0.944 553 L HN 0.455 nan 8.230 nan 0.000 0.451 554 R N -0.109 120.223 120.500 -0.280 0.000 3.422 554 R HA -0.124 4.219 4.340 0.005 0.000 0.267 554 R C -0.088 176.019 176.300 -0.322 0.000 1.074 554 R CA 0.421 56.262 56.100 -0.432 0.000 0.718 554 R CB -2.608 27.154 30.300 -0.895 0.000 1.157 554 R HN 0.226 nan 8.270 nan 0.000 0.440 555 T N 2.075 116.493 114.554 -0.227 0.000 2.871 555 T HA 0.001 4.353 4.350 0.005 0.000 0.296 555 T C 1.077 175.675 174.700 -0.171 0.000 0.998 555 T CA 0.166 62.148 62.100 -0.198 0.000 1.162 555 T CB 0.596 69.367 68.868 -0.161 0.000 0.947 555 T HN 0.297 nan 8.240 nan 0.000 0.536 556 E N 0.154 120.266 120.200 -0.147 0.000 3.673 556 E HA -0.184 4.169 4.350 0.005 0.000 0.309 556 E C 0.293 176.839 176.600 -0.089 0.000 0.819 556 E CA 1.403 57.770 56.400 -0.056 0.000 1.111 556 E CB -0.941 28.739 29.700 -0.034 0.000 1.561 556 E HN 0.734 nan 8.360 nan 0.000 0.450 557 K N -0.774 119.519 120.400 -0.179 0.000 2.082 557 K HA 0.655 4.978 4.320 0.005 0.000 0.246 557 K C 0.178 176.606 176.600 -0.286 0.000 1.061 557 K CA -0.343 55.787 56.287 -0.261 0.000 0.952 557 K CB 1.443 33.731 32.500 -0.354 0.000 1.513 557 K HN -0.024 nan 8.250 nan 0.000 0.631 558 T N -0.638 113.666 114.554 -0.417 0.000 2.889 558 T HA 0.390 4.743 4.350 0.005 0.000 0.315 558 T C -0.825 173.621 174.700 -0.424 0.000 1.291 558 T CA -0.602 61.301 62.100 -0.329 0.000 1.028 558 T CB 0.490 69.269 68.868 -0.149 0.000 1.235 558 T HN 0.351 nan 8.240 nan 0.000 0.491 559 F N 2.565 122.414 119.950 -0.169 0.000 2.780 559 F HA 0.393 4.921 4.527 0.001 0.000 0.299 559 F C 0.636 176.495 175.800 0.099 0.000 1.146 559 F CA -0.074 57.832 58.000 -0.157 0.000 1.428 559 F CB 0.186 38.791 39.000 -0.660 0.000 1.115 559 F HN 0.456 nan 8.300 nan 0.000 0.583 560 L N -3.013 118.357 121.223 0.246 0.000 2.582 560 L HA 0.667 5.010 4.340 0.005 0.000 0.257 560 L C -1.319 175.654 176.870 0.172 0.000 0.974 560 L CA -1.123 53.865 54.840 0.247 0.000 0.851 560 L CB 1.946 44.148 42.059 0.238 0.000 1.424 560 L HN -0.233 nan 8.230 nan 0.000 0.412 561 E N 1.089 121.376 120.200 0.144 0.000 2.292 561 E HA 0.648 5.001 4.350 0.005 0.000 0.272 561 E C -1.556 175.007 176.600 -0.061 0.000 0.881 561 E CA -1.022 55.406 56.400 0.047 0.000 0.754 561 E CB 2.998 32.762 29.700 0.106 0.000 1.201 561 E HN 0.528 nan 8.360 nan 0.000 0.425 562 V N 3.202 122.996 119.914 -0.199 0.000 2.383 562 V HA 0.273 4.396 4.120 0.005 0.000 0.275 562 V C -0.294 175.614 176.094 -0.311 0.000 1.036 562 V CA -0.610 61.471 62.300 -0.366 0.000 0.889 562 V CB 1.239 32.535 31.823 -0.879 0.000 0.985 562 V HN 0.392 nan 8.190 nan 0.000 0.459 563 V N 4.388 124.079 119.914 -0.372 0.000 2.448 563 V HA 0.410 4.533 4.120 0.005 0.000 0.295 563 V C -0.022 175.862 176.094 -0.349 0.000 1.025 563 V CA -0.779 61.253 62.300 -0.446 0.000 0.859 563 V CB 1.863 33.147 31.823 -0.897 0.000 0.988 563 V HN 0.874 nan 8.190 nan 0.000 0.431 564 N N 4.426 122.967 118.700 -0.265 0.000 2.419 564 N HA 0.399 5.142 4.740 0.005 0.000 0.264 564 N C 0.221 175.547 175.510 -0.306 0.000 1.031 564 N CA -0.536 52.226 53.050 -0.480 0.000 0.951 564 N CB 1.053 39.346 38.487 -0.323 0.000 1.101 564 N HN 0.718 nan 8.380 nan 0.000 0.488 565 I N 0.501 120.898 120.570 -0.289 0.000 3.936 565 I HA 0.568 4.740 4.170 0.005 0.000 0.330 565 I C 0.781 176.846 176.117 -0.087 0.000 1.509 565 I CA -0.547 60.694 61.300 -0.098 0.000 1.126 565 I CB -0.226 37.795 38.000 0.036 0.000 1.115 565 I HN 0.551 nan 8.210 nan 0.000 0.424 566 G N 2.063 110.770 108.800 -0.156 0.000 2.631 566 G HA2 -0.236 3.727 3.960 0.005 0.000 0.504 566 G HA3 -0.236 3.727 3.960 0.005 0.000 0.504 566 G C 0.053 174.959 174.900 0.009 0.000 1.306 566 G CA 0.026 45.081 45.100 -0.074 0.000 0.897 566 G HN 0.243 nan 8.290 nan 0.000 0.520 567 K N 0.204 120.629 120.400 0.041 0.000 2.148 567 K HA -0.034 4.288 4.320 0.005 0.000 0.204 567 K C 1.696 178.418 176.600 0.204 0.000 1.050 567 K CA 1.717 58.053 56.287 0.082 0.000 0.942 567 K CB -0.219 32.311 32.500 0.050 0.000 0.724 567 K HN 0.740 nan 8.250 nan 0.000 0.446 568 D N -1.023 119.526 120.400 0.249 0.000 2.273 568 D HA -0.038 4.605 4.640 0.005 0.000 0.247 568 D C 1.005 177.329 176.300 0.040 0.000 1.313 568 D CA 0.369 54.437 54.000 0.113 0.000 0.974 568 D CB -0.116 40.671 40.800 -0.021 0.000 1.157 568 D HN 0.092 nan 8.370 nan 0.000 0.533 569 G N -1.229 107.573 108.800 0.003 0.000 3.107 569 G HA2 0.116 4.079 3.960 0.005 0.000 0.155 569 G HA3 0.116 4.079 3.960 0.005 0.000 0.155 569 G C 0.093 174.960 174.900 -0.054 0.000 1.875 569 G CA 0.480 45.563 45.100 -0.029 0.000 1.004 569 G HN 0.702 nan 8.290 nan 0.000 0.480 570 K N -1.906 118.468 120.400 -0.044 0.000 3.583 570 K HA -0.129 4.194 4.320 0.005 0.000 0.287 570 K C 0.315 176.906 176.600 -0.014 0.000 1.269 570 K CA 0.937 57.207 56.287 -0.027 0.000 0.998 570 K CB -0.870 31.612 32.500 -0.030 0.000 1.284 570 K HN 0.358 nan 8.250 nan 0.000 0.472 571 Q N 1.048 120.840 119.800 -0.013 0.000 2.354 571 Q HA 0.135 4.478 4.340 0.005 0.000 0.244 571 Q C 0.248 176.245 176.000 -0.005 0.000 0.969 571 Q CA 0.357 56.152 55.803 -0.012 0.000 0.885 571 Q CB 1.119 29.845 28.738 -0.021 0.000 1.241 571 Q HN 0.076 nan 8.270 nan 0.000 0.461 572 T N 3.704 118.256 114.554 -0.004 0.000 2.908 572 T HA 0.111 4.464 4.350 0.005 0.000 0.301 572 T C -2.179 172.521 174.700 -0.000 0.000 1.019 572 T CA -0.942 61.160 62.100 0.004 0.000 1.152 572 T CB 0.178 69.048 68.868 0.002 0.000 0.966 572 T HN 0.292 nan 8.240 nan 0.000 0.540 573 P HA 0.200 nan 4.420 nan 0.000 0.268 573 P C -1.143 176.143 177.300 -0.025 0.000 1.204 573 P CA -0.192 62.911 63.100 0.005 0.000 0.768 573 P CB 0.591 32.331 31.700 0.067 0.000 0.842 574 V N 3.739 123.616 119.914 -0.062 0.000 2.483 574 V HA 0.189 4.312 4.120 0.005 0.000 0.297 574 V C 0.379 176.431 176.094 -0.070 0.000 1.027 574 V CA -0.417 61.852 62.300 -0.051 0.000 0.855 574 V CB 1.844 33.642 31.823 -0.041 0.000 0.995 574 V HN 0.490 nan 8.190 nan 0.000 0.424 575 T N 4.264 118.788 114.554 -0.051 0.000 2.834 575 T HA 0.203 4.556 4.350 0.005 0.000 0.298 575 T C 0.997 175.681 174.700 -0.027 0.000 0.966 575 T CA 0.153 62.219 62.100 -0.058 0.000 1.141 575 T CB 1.143 69.991 68.868 -0.033 0.000 0.905 575 T HN 0.768 nan 8.240 nan 0.000 0.535 576 V N 0.337 120.226 119.914 -0.041 0.000 3.645 576 V HA 0.772 4.895 4.120 0.005 0.000 0.275 576 V C 0.444 176.549 176.094 0.018 0.000 1.356 576 V CA 0.176 62.490 62.300 0.022 0.000 1.051 576 V CB -0.483 31.401 31.823 0.101 0.000 0.828 576 V HN 0.927 nan 8.190 nan 0.000 0.441 577 A N 0.447 123.220 122.820 -0.078 0.000 2.589 577 A HA 0.811 5.134 4.320 0.005 0.000 0.296 577 A C -0.263 177.300 177.584 -0.034 0.000 1.062 577 A CA 0.239 52.252 52.037 -0.039 0.000 0.686 577 A CB 1.500 20.407 19.000 -0.154 0.000 1.282 577 A HN 0.765 nan 8.150 nan 0.000 0.404 578 T N -2.168 112.411 114.554 0.042 0.000 2.773 578 T HA 0.564 4.917 4.350 0.005 0.000 0.278 578 T C 0.441 175.195 174.700 0.089 0.000 1.011 578 T CA 0.356 62.489 62.100 0.056 0.000 1.014 578 T CB 1.262 70.170 68.868 0.067 0.000 1.293 578 T HN 0.748 nan 8.240 nan 0.000 0.554 579 D N -0.129 120.334 120.400 0.105 0.000 2.350 579 D HA -0.090 4.553 4.640 0.005 0.000 0.216 579 D C 1.390 177.772 176.300 0.137 0.000 0.968 579 D CA 0.710 54.795 54.000 0.141 0.000 0.894 579 D CB -0.570 40.332 40.800 0.171 0.000 0.909 579 D HN 0.509 nan 8.370 nan 0.000 0.520 580 N N 0.375 119.167 118.700 0.153 0.000 2.396 580 N HA -0.091 4.652 4.740 0.005 0.000 0.180 580 N C -0.361 175.176 175.510 0.044 0.000 1.028 580 N CA 0.394 53.555 53.050 0.186 0.000 0.893 580 N CB -0.024 38.678 38.487 0.359 0.000 0.967 580 N HN 0.072 nan 8.380 nan 0.000 0.440 581 D N -0.597 119.833 120.400 0.050 0.000 2.372 581 D HA -0.096 4.547 4.640 0.005 0.000 0.243 581 D C 0.886 177.128 176.300 -0.097 0.000 1.121 581 D CA -0.336 53.647 54.000 -0.027 0.000 0.898 581 D CB 0.423 41.304 40.800 0.136 0.000 1.202 581 D HN 0.303 nan 8.370 nan 0.000 0.428 582 W N 2.557 123.584 121.300 -0.455 0.000 2.325 582 W HA -0.188 4.474 4.660 0.004 0.000 0.299 582 W C 0.493 177.118 176.519 0.177 0.000 1.215 582 W CA 0.989 58.232 57.345 -0.170 0.000 1.244 582 W CB 0.225 29.692 29.460 0.012 0.000 1.140 582 W HN 0.357 nan 8.180 nan 0.000 0.523 583 D N 0.127 120.702 120.400 0.293 0.000 2.363 583 D HA -0.043 4.599 4.640 0.005 0.000 0.220 583 D C 0.856 177.293 176.300 0.229 0.000 0.994 583 D CA 1.088 55.243 54.000 0.258 0.000 0.890 583 D CB 0.120 41.169 40.800 0.414 0.000 0.906 583 D HN 0.079 nan 8.370 nan 0.000 0.530 584 T N -2.075 112.591 114.554 0.187 0.000 2.918 584 T HA 0.636 4.989 4.350 0.005 0.000 0.286 584 T C -0.257 174.509 174.700 0.111 0.000 1.026 584 T CA -0.893 61.308 62.100 0.168 0.000 1.031 584 T CB 2.710 71.673 68.868 0.158 0.000 1.046 584 T HN -0.198 nan 8.240 nan 0.000 0.479 585 Q N 0.741 120.585 119.800 0.074 0.000 2.397 585 Q HA 0.469 4.811 4.340 0.005 0.000 0.275 585 Q C -2.016 174.077 176.000 0.155 0.000 1.090 585 Q CA -1.032 54.813 55.803 0.069 0.000 0.809 585 Q CB 2.994 31.665 28.738 -0.113 0.000 1.362 585 Q HN 0.825 nan 8.270 nan 0.000 0.431 586 Y N 1.424 121.752 120.300 0.047 0.000 2.331 586 Y HA 0.501 5.053 4.550 0.003 0.000 0.334 586 Y C -1.377 174.530 175.900 0.012 0.000 0.960 586 Y CA -0.589 57.534 58.100 0.038 0.000 1.130 586 Y CB 1.195 39.689 38.460 0.056 0.000 1.164 586 Y HN 0.477 nan 8.280 nan 0.000 0.458 587 R N 5.188 125.353 120.500 -0.558 0.000 2.534 587 R HA 0.224 4.566 4.340 0.005 0.000 0.301 587 R C -1.962 173.971 176.300 -0.612 0.000 0.961 587 R CA -0.765 55.038 56.100 -0.494 0.000 0.871 587 R CB 2.091 32.252 30.300 -0.233 0.000 1.170 587 R HN 0.849 nan 8.270 nan 0.000 0.446 588 W N 2.982 123.875 121.300 -0.677 0.000 2.573 588 W HA 0.328 4.995 4.660 0.012 0.000 0.326 588 W C -0.785 175.569 176.519 -0.274 0.000 1.049 588 W CA -0.284 56.780 57.345 -0.468 0.000 1.220 588 W CB 1.362 30.569 29.460 -0.422 0.000 1.373 588 W HN 0.487 nan 8.180 nan 0.000 0.507 589 E N 3.526 123.093 120.200 -1.056 0.000 2.308 589 E HA 0.226 4.579 4.350 0.005 0.000 0.275 589 E C -1.145 174.636 176.600 -1.366 0.000 0.890 589 E CA -1.406 54.419 56.400 -0.959 0.000 0.754 589 E CB 1.910 31.328 29.700 -0.470 0.000 1.207 589 E HN 0.203 nan 8.360 nan 0.000 0.426 590 R N 1.487 121.320 120.500 -1.112 0.000 2.537 590 R HA 0.207 4.550 4.340 0.005 0.000 0.280 590 R C -1.314 174.758 176.300 -0.380 0.000 1.058 590 R CA 0.132 55.846 56.100 -0.642 0.000 1.057 590 R CB 0.474 30.633 30.300 -0.235 0.000 0.973 590 R HN 0.269 nan 8.270 nan 0.000 0.438 591 V N 5.802 125.542 119.914 -0.289 0.000 2.443 591 V HA 0.596 4.719 4.120 0.005 0.000 0.293 591 V C 0.903 176.860 176.094 -0.229 0.000 1.021 591 V CA 0.110 62.245 62.300 -0.275 0.000 0.848 591 V CB 0.777 32.369 31.823 -0.384 0.000 0.998 591 V HN 1.091 nan 8.190 nan 0.000 0.424 592 G N 5.220 113.909 108.800 -0.185 0.000 2.566 592 G HA2 -0.236 3.727 3.960 0.005 0.000 0.280 592 G HA3 -0.236 3.727 3.960 0.005 0.000 0.280 592 G C 0.608 175.460 174.900 -0.080 0.000 1.225 592 G CA 0.333 45.354 45.100 -0.133 0.000 0.966 592 G HN 0.488 nan 8.290 nan 0.000 0.560 593 I N 1.347 121.882 120.570 -0.058 0.000 2.277 593 I HA 0.050 4.223 4.170 0.005 0.000 0.243 593 I C 2.661 178.788 176.117 0.018 0.000 1.094 593 I CA 2.835 64.121 61.300 -0.022 0.000 1.393 593 I CB -0.962 37.017 38.000 -0.034 0.000 1.078 593 I HN 0.949 nan 8.210 nan 0.000 0.417 594 S N -1.150 114.564 115.700 0.023 0.000 2.817 594 S HA 0.531 5.003 4.470 0.005 0.000 0.262 594 S C 0.601 175.290 174.600 0.148 0.000 1.051 594 S CA -0.257 58.001 58.200 0.095 0.000 1.185 594 S CB 0.285 63.528 63.200 0.070 0.000 1.152 594 S HN 0.200 nan 8.310 nan 0.000 0.653 595 A N 1.845 124.704 122.820 0.066 0.000 2.248 595 A HA 0.943 5.266 4.320 0.005 0.000 0.316 595 A C 0.223 177.854 177.584 0.078 0.000 1.101 595 A CA -0.160 51.938 52.037 0.101 0.000 0.875 595 A CB 1.077 20.030 19.000 -0.078 0.000 1.207 595 A HN 1.224 nan 8.150 nan 0.000 0.504 596 S N -0.744 115.057 115.700 0.168 0.000 2.587 596 S HA 0.622 5.095 4.470 0.005 0.000 0.269 596 S C -1.094 173.559 174.600 0.088 0.000 1.154 596 S CA -0.876 57.284 58.200 -0.066 0.000 0.824 596 S CB 1.304 64.426 63.200 -0.129 0.000 1.118 596 S HN 0.932 nan 8.310 nan 0.000 0.462 597 K N 0.373 120.663 120.400 -0.183 0.000 2.324 597 K HA 0.759 5.082 4.320 0.005 0.000 0.253 597 K C -1.122 175.373 176.600 -0.175 0.000 0.932 597 K CA -0.802 55.441 56.287 -0.072 0.000 0.799 597 K CB 1.935 34.408 32.500 -0.046 0.000 1.154 597 K HN 0.989 nan 8.250 nan 0.000 0.425 598 A N 2.841 125.631 122.820 -0.049 0.000 2.258 598 A HA 0.421 4.744 4.320 0.005 0.000 0.316 598 A C -0.802 176.749 177.584 -0.055 0.000 1.279 598 A CA -0.504 51.480 52.037 -0.090 0.000 0.876 598 A CB 0.924 19.826 19.000 -0.163 0.000 1.170 598 A HN 0.665 nan 8.150 nan 0.000 0.520 599 T N 3.400 117.883 114.554 -0.118 0.000 2.771 599 T HA 0.573 4.925 4.350 0.005 0.000 0.281 599 T C -0.307 174.393 174.700 -0.000 0.000 0.982 599 T CA 0.147 62.213 62.100 -0.056 0.000 0.978 599 T CB 0.380 69.187 68.868 -0.101 0.000 0.930 599 T HN 0.460 nan 8.240 nan 0.000 0.447 600 I N 3.136 123.759 120.570 0.090 0.000 2.465 600 I HA 0.480 4.653 4.170 0.005 0.000 0.291 600 I C 0.165 176.338 176.117 0.093 0.000 1.014 600 I CA -0.570 60.820 61.300 0.150 0.000 1.093 600 I CB 1.947 40.111 38.000 0.272 0.000 1.267 600 I HN 0.670 nan 8.210 nan 0.000 0.431 601 S N 4.210 119.954 115.700 0.073 0.000 2.568 601 S HA 0.672 5.145 4.470 0.005 0.000 0.293 601 S C -1.649 173.035 174.600 0.140 0.000 1.089 601 S CA -0.718 57.507 58.200 0.042 0.000 0.945 601 S CB 2.252 65.422 63.200 -0.050 0.000 1.077 601 S HN 0.602 nan 8.310 nan 0.000 0.485 602 W N 1.991 123.213 121.300 -0.130 0.000 2.756 602 W HA 0.613 5.276 4.660 0.005 0.000 0.333 602 W C -1.344 175.082 176.519 -0.155 0.000 1.025 602 W CA -0.788 56.490 57.345 -0.111 0.000 1.246 602 W CB 1.647 31.057 29.460 -0.084 0.000 1.358 602 W HN 0.672 nan 8.180 nan 0.000 0.444 603 S N 6.616 122.192 115.700 -0.207 0.000 2.411 603 S HA 0.388 4.861 4.470 0.005 0.000 0.294 603 S C 0.083 174.298 174.600 -0.641 0.000 1.115 603 S CA -0.441 57.543 58.200 -0.359 0.000 1.071 603 S CB 0.095 63.182 63.200 -0.188 0.000 0.967 603 S HN 0.350 nan 8.310 nan 0.000 0.488 604 I N 6.925 126.981 120.570 -0.857 0.000 2.494 604 I HA 0.164 4.336 4.170 0.005 0.000 0.289 604 I C -1.762 174.089 176.117 -0.444 0.000 1.106 604 I CA -1.606 59.066 61.300 -1.046 0.000 1.369 604 I CB 0.291 37.712 38.000 -0.966 0.000 1.410 604 I HN 0.321 nan 8.210 nan 0.000 0.523 605 P HA 0.312 nan 4.420 nan 0.000 0.278 605 P C -2.641 174.642 177.300 -0.028 0.000 1.258 605 P CA -2.183 60.889 63.100 -0.046 0.000 0.811 605 P CB 0.133 31.891 31.700 0.098 0.000 1.063 606 P HA 0.041 nan 4.420 nan 0.000 0.264 606 P C 1.031 178.350 177.300 0.032 0.000 1.183 606 P CA 1.538 64.643 63.100 0.009 0.000 0.763 606 P CB -0.300 31.408 31.700 0.014 0.000 0.807 607 G N 1.241 110.060 108.800 0.031 0.000 2.176 607 G HA2 -0.216 3.747 3.960 0.005 0.000 0.232 607 G HA3 -0.216 3.747 3.960 0.005 0.000 0.232 607 G C 0.346 175.293 174.900 0.078 0.000 0.986 607 G CA 0.185 45.314 45.100 0.048 0.000 0.643 607 G HN 0.842 nan 8.290 nan 0.000 0.522 608 T N 0.159 114.763 114.554 0.083 0.000 2.884 608 T HA 0.486 4.839 4.350 0.005 0.000 0.298 608 T C 0.309 175.104 174.700 0.157 0.000 0.998 608 T CA -0.052 62.135 62.100 0.146 0.000 1.124 608 T CB 1.160 70.114 68.868 0.144 0.000 0.931 608 T HN 0.207 nan 8.240 nan 0.000 0.531 609 E N 4.653 124.989 120.200 0.227 0.000 2.415 609 E HA 0.161 4.514 4.350 0.005 0.000 0.263 609 E C -2.111 174.641 176.600 0.254 0.000 0.995 609 E CA -1.475 55.045 56.400 0.200 0.000 0.915 609 E CB 0.639 30.444 29.700 0.175 0.000 0.951 609 E HN 0.575 nan 8.360 nan 0.000 0.449 610 P HA 0.078 nan 4.420 nan 0.000 0.267 610 P C 0.021 177.402 177.300 0.136 0.000 1.200 610 P CA 0.411 63.599 63.100 0.145 0.000 0.772 610 P CB 0.648 32.393 31.700 0.076 0.000 0.855 611 G N 0.878 109.735 108.800 0.095 0.000 2.340 611 G HA2 0.072 4.034 3.960 0.005 0.000 0.282 611 G HA3 0.072 4.034 3.960 0.005 0.000 0.282 611 G C -1.836 172.955 174.900 -0.182 0.000 1.312 611 G CA -0.789 44.269 45.100 -0.069 0.000 0.942 611 G HN 0.544 nan 8.290 nan 0.000 0.495 612 H N -0.805 118.186 119.070 -0.131 0.000 2.458 612 H HA 0.733 5.292 4.556 0.004 0.000 0.330 612 H C -0.850 174.221 175.328 -0.428 0.000 1.111 612 H CA 0.049 56.018 56.048 -0.132 0.000 1.245 612 H CB 1.374 31.097 29.762 -0.065 0.000 1.456 612 H HN 0.516 nan 8.280 nan 0.000 0.488 613 Y N 1.116 121.235 120.300 -0.303 0.000 2.581 613 Y HA 0.368 4.921 4.550 0.004 0.000 0.345 613 Y C -0.827 174.801 175.900 -0.454 0.000 1.036 613 Y CA -1.112 56.700 58.100 -0.480 0.000 1.042 613 Y CB 1.635 39.678 38.460 -0.694 0.000 1.289 613 Y HN 0.671 nan 8.280 nan 0.000 0.471 614 Y N -1.358 118.905 120.300 -0.062 0.000 2.689 614 Y HA 0.860 5.413 4.550 0.004 0.000 0.333 614 Y C -1.870 174.187 175.900 0.262 0.000 1.190 614 Y CA -1.918 56.281 58.100 0.164 0.000 1.063 614 Y CB 1.265 39.808 38.460 0.139 0.000 1.294 614 Y HN 0.418 nan 8.280 nan 0.000 0.466 615 I N 2.468 123.361 120.570 0.537 0.000 2.433 615 I HA 0.496 4.668 4.170 0.005 0.000 0.292 615 I C -0.537 175.858 176.117 0.464 0.000 1.001 615 I CA -0.835 60.689 61.300 0.372 0.000 1.119 615 I CB 1.961 40.201 38.000 0.401 0.000 1.289 615 I HN 0.650 nan 8.210 nan 0.000 0.438 616 R N 4.194 124.835 120.500 0.236 0.000 2.460 616 R HA 0.448 4.791 4.340 0.005 0.000 0.303 616 R C -1.115 175.111 176.300 -0.122 0.000 0.968 616 R CA -0.641 55.507 56.100 0.080 0.000 0.889 616 R CB 1.140 31.447 30.300 0.012 0.000 1.123 616 R HN 0.595 nan 8.270 nan 0.000 0.455 617 H N 2.802 121.492 119.070 -0.633 0.000 2.469 617 H HA 0.332 4.890 4.556 0.004 0.000 0.342 617 H C -1.718 173.289 175.328 -0.535 0.000 1.115 617 H CA -0.453 55.206 56.048 -0.648 0.000 1.204 617 H CB 0.687 29.639 29.762 -1.351 0.000 1.492 617 H HN 0.494 nan 8.280 nan 0.000 0.499 618 Y N 3.107 123.036 120.300 -0.618 0.000 2.376 618 Y HA 0.617 5.170 4.550 0.004 0.000 0.340 618 Y C 0.691 176.197 175.900 -0.655 0.000 0.965 618 Y CA -0.274 57.483 58.100 -0.571 0.000 1.078 618 Y CB 2.345 40.599 38.460 -0.343 0.000 1.193 618 Y HN 0.905 nan 8.280 nan 0.000 0.452 619 G N 1.570 110.174 108.800 -0.327 0.000 2.749 619 G HA2 0.621 4.584 3.960 0.005 0.000 0.300 619 G HA3 0.621 4.584 3.960 0.005 0.000 0.300 619 G C -1.851 173.033 174.900 -0.026 0.000 1.352 619 G CA -1.183 43.903 45.100 -0.023 0.000 0.789 619 G HN 0.534 nan 8.290 nan 0.000 0.509 620 N N -1.144 117.572 118.700 0.027 0.000 2.308 620 N HA 0.683 5.426 4.740 0.005 0.000 0.283 620 N C -0.783 174.664 175.510 -0.105 0.000 1.105 620 N CA -0.318 52.701 53.050 -0.052 0.000 0.840 620 N CB 2.468 40.939 38.487 -0.026 0.000 1.633 620 N HN 0.842 nan 8.380 nan 0.000 0.476 621 A N 0.873 123.557 122.820 -0.226 0.000 2.401 621 A HA 0.696 5.019 4.320 0.005 0.000 0.310 621 A C -0.975 176.536 177.584 -0.122 0.000 1.075 621 A CA -0.660 51.187 52.037 -0.317 0.000 0.746 621 A CB 1.282 19.672 19.000 -1.018 0.000 1.277 621 A HN 0.548 nan 8.150 nan 0.000 0.425 622 K N 1.893 122.283 120.400 -0.017 0.000 2.206 622 K HA 0.216 4.539 4.320 0.005 0.000 0.264 622 K C -0.812 175.853 176.600 0.107 0.000 0.967 622 K CA -0.599 55.709 56.287 0.035 0.000 0.844 622 K CB 0.794 33.312 32.500 0.030 0.000 1.099 622 K HN 0.811 nan 8.250 nan 0.000 0.441 623 N N 4.561 123.327 118.700 0.110 0.000 2.458 623 N HA -0.008 4.734 4.740 0.005 0.000 0.270 623 N C 0.644 176.234 175.510 0.133 0.000 1.102 623 N CA -0.023 53.131 53.050 0.173 0.000 0.967 623 N CB 0.514 39.105 38.487 0.173 0.000 1.078 623 N HN 0.613 nan 8.380 nan 0.000 0.471 624 F N 4.325 124.251 119.950 -0.040 0.000 2.171 624 F HA -0.055 4.476 4.527 0.006 0.000 0.300 624 F C 1.020 176.619 175.800 -0.334 0.000 1.090 624 F CA 1.411 59.234 58.000 -0.294 0.000 1.293 624 F CB -0.025 38.620 39.000 -0.590 0.000 1.013 624 F HN 0.598 nan 8.300 nan 0.000 0.486 625 W N -0.245 121.085 121.300 0.050 0.000 2.523 625 W HA 0.021 4.686 4.660 0.009 0.000 0.278 625 W C 2.625 179.092 176.519 -0.087 0.000 1.236 625 W CA 1.435 58.743 57.345 -0.062 0.000 1.306 625 W CB -0.859 28.655 29.460 0.091 0.000 1.101 625 W HN 0.054 nan 8.180 nan 0.000 0.577 626 T N -3.386 111.256 114.554 0.147 0.000 3.037 626 T HA 0.017 4.370 4.350 0.005 0.000 0.251 626 T C 1.063 175.766 174.700 0.004 0.000 1.079 626 T CA 0.576 62.721 62.100 0.075 0.000 1.067 626 T CB 0.034 68.958 68.868 0.093 0.000 0.948 626 T HN 0.017 nan 8.240 nan 0.000 0.496 627 Q N -0.279 119.504 119.800 -0.028 0.000 2.362 627 Q HA -0.183 4.160 4.340 0.005 0.000 0.220 627 Q C 0.121 176.113 176.000 -0.014 0.000 0.713 627 Q CA 1.493 57.267 55.803 -0.049 0.000 1.345 627 Q CB -2.111 26.578 28.738 -0.083 0.000 1.570 627 Q HN 0.816 nan 8.270 nan 0.000 0.701 628 K N 1.270 121.679 120.400 0.015 0.000 2.401 628 K HA 0.385 4.708 4.320 0.005 0.000 0.278 628 K C -0.248 176.359 176.600 0.011 0.000 1.018 628 K CA 0.067 56.364 56.287 0.016 0.000 0.981 628 K CB 0.384 32.904 32.500 0.034 0.000 0.933 628 K HN 0.191 nan 8.250 nan 0.000 0.477 629 I N 4.104 124.670 120.570 -0.006 0.000 2.354 629 I HA 0.204 4.377 4.170 0.005 0.000 0.292 629 I C -0.370 175.733 176.117 -0.023 0.000 0.989 629 I CA -0.404 60.884 61.300 -0.020 0.000 1.188 629 I CB 1.745 39.727 38.000 -0.030 0.000 1.342 629 I HN 0.826 nan 8.210 nan 0.000 0.457 630 S N 4.741 120.420 115.700 -0.036 0.000 2.600 630 S HA 0.536 5.009 4.470 0.005 0.000 0.300 630 S C -0.629 173.937 174.600 -0.057 0.000 1.087 630 S CA -1.065 57.116 58.200 -0.031 0.000 0.965 630 S CB 1.956 65.153 63.200 -0.004 0.000 1.089 630 S HN 0.427 nan 8.310 nan 0.000 0.496 631 E N 1.397 121.575 120.200 -0.037 0.000 2.338 631 E HA 0.421 4.774 4.350 0.005 0.000 0.272 631 E C -0.088 176.490 176.600 -0.037 0.000 1.029 631 E CA -0.215 56.160 56.400 -0.041 0.000 0.872 631 E CB 1.065 30.754 29.700 -0.019 0.000 1.015 631 E HN 0.728 nan 8.360 nan 0.000 0.417 632 I N -2.002 118.531 120.570 -0.061 0.000 3.042 632 I HA 0.906 5.079 4.170 0.005 0.000 0.310 632 I C -0.007 176.055 176.117 -0.091 0.000 1.117 632 I CA -0.921 60.360 61.300 -0.032 0.000 1.003 632 I CB 2.669 40.647 38.000 -0.036 0.000 1.228 632 I HN 0.485 nan 8.210 nan 0.000 0.443 633 G N 0.927 109.687 108.800 -0.065 0.000 2.466 633 G HA2 0.678 4.641 3.960 0.005 0.000 0.291 633 G HA3 0.678 4.641 3.960 0.005 0.000 0.291 633 G C -1.390 173.459 174.900 -0.085 0.000 1.460 633 G CA -0.292 44.681 45.100 -0.212 0.000 0.791 633 G HN 1.206 nan 8.290 nan 0.000 0.505 634 G N -1.237 107.472 108.800 -0.151 0.000 2.601 634 G HA2 0.679 4.642 3.960 0.005 0.000 0.291 634 G HA3 0.679 4.642 3.960 0.005 0.000 0.291 634 G C -1.355 173.632 174.900 0.146 0.000 1.456 634 G CA -0.051 45.106 45.100 0.094 0.000 0.804 634 G HN 1.138 nan 8.290 nan 0.000 0.499 635 S N -0.345 115.539 115.700 0.306 0.000 2.538 635 S HA 0.753 5.226 4.470 0.005 0.000 0.288 635 S C 0.373 175.175 174.600 0.336 0.000 1.108 635 S CA -0.343 58.063 58.200 0.343 0.000 0.971 635 S CB 1.766 65.036 63.200 0.117 0.000 1.041 635 S HN 1.233 nan 8.310 nan 0.000 0.483 636 T N 0.323 115.121 114.554 0.407 0.000 2.788 636 T HA 0.391 4.744 4.350 0.005 0.000 0.287 636 T C 0.500 175.298 174.700 0.162 0.000 1.007 636 T CA -0.819 61.419 62.100 0.229 0.000 1.005 636 T CB 0.192 69.223 68.868 0.272 0.000 1.012 636 T HN 0.760 nan 8.240 nan 0.000 0.530 637 R N 0.833 121.410 120.500 0.129 0.000 2.827 637 R HA 0.343 4.686 4.340 0.005 0.000 0.269 637 R C 0.376 176.822 176.300 0.243 0.000 1.048 637 R CA -0.484 55.685 56.100 0.114 0.000 1.173 637 R CB -0.056 30.304 30.300 0.101 0.000 1.070 637 R HN 0.803 nan 8.270 nan 0.000 0.498 638 S N 0.712 116.526 115.700 0.191 0.000 2.593 638 S HA 0.346 4.819 4.470 0.005 0.000 0.269 638 S C -0.130 174.704 174.600 0.389 0.000 1.334 638 S CA -0.772 57.584 58.200 0.260 0.000 1.015 638 S CB 0.241 63.541 63.200 0.166 0.000 0.912 638 S HN 0.548 nan 8.310 nan 0.000 0.541 639 F N -1.503 118.671 119.950 0.373 0.000 2.629 639 F HA 0.755 5.284 4.527 0.004 0.000 0.316 639 F C -0.525 175.508 175.800 0.388 0.000 1.081 639 F CA -1.313 56.911 58.000 0.374 0.000 0.954 639 F CB 1.315 40.583 39.000 0.447 0.000 1.337 639 F HN 0.676 nan 8.300 nan 0.000 0.474 640 E N 1.302 121.760 120.200 0.429 0.000 2.166 640 E HA 0.579 4.932 4.350 0.005 0.000 0.275 640 E C -1.660 175.132 176.600 0.320 0.000 0.941 640 E CA -0.960 55.524 56.400 0.140 0.000 0.784 640 E CB 2.015 31.694 29.700 -0.036 0.000 1.115 640 E HN 0.650 nan 8.360 nan 0.000 0.399 641 V N 6.162 126.237 119.914 0.268 0.000 2.383 641 V HA 0.255 4.378 4.120 0.005 0.000 0.275 641 V C 0.171 176.339 176.094 0.124 0.000 1.036 641 V CA -0.496 61.943 62.300 0.232 0.000 0.889 641 V CB 0.746 32.676 31.823 0.178 0.000 0.985 641 V HN 0.626 nan 8.190 nan 0.000 0.459 642 L N 4.433 125.713 121.223 0.095 0.000 2.399 642 L HA 0.927 5.270 4.340 0.005 0.000 0.265 642 L C 1.071 177.968 176.870 0.045 0.000 1.089 642 L CA 0.306 55.178 54.840 0.054 0.000 0.802 642 L CB 1.318 43.402 42.059 0.042 0.000 1.180 642 L HN 0.831 nan 8.230 nan 0.000 0.454 643 G N 0.162 108.983 108.800 0.036 0.000 2.229 643 G HA2 0.197 4.160 3.960 0.005 0.000 0.089 643 G HA3 0.197 4.160 3.960 0.005 0.000 0.089 643 G C -0.096 174.819 174.900 0.026 0.000 0.832 643 G CA 0.587 45.704 45.100 0.029 0.000 1.234 643 G HN 0.677 nan 8.290 nan 0.000 0.466 644 T N -2.523 112.049 114.554 0.030 0.000 2.042 644 T HA 0.512 4.865 4.350 0.005 0.000 0.161 644 T C 1.063 175.781 174.700 0.031 0.000 0.728 644 T CA 1.245 63.360 62.100 0.026 0.000 0.909 644 T CB 0.323 69.203 68.868 0.021 0.000 2.974 644 T HN 0.932 nan 8.240 nan 0.000 0.385 645 T N 0.000 114.572 114.554 0.029 0.000 3.816 645 T HA 0.000 4.353 4.350 0.005 0.000 0.228 645 T CA 0.000 62.118 62.100 0.031 0.000 1.349 645 T CB 0.000 68.884 68.868 0.026 0.000 0.612 645 T HN 0.000 nan 8.240 nan 0.000 0.658