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 1wyv_1_F DATA FIRST_RESID 2 DATA SEQUENCE SFPLIFERSR KGRRGLKLVK AVPKAEDLIP KEHLREVPPR LPEVDELTLV DATA SEQUENCE RHYTGLSRRQ VGVDTTFYPL GSCTMKYNPK LHEEAARLFA DLHPYQDPRT DATA SEQUENCE AQGALRLMWE LGEYLKALTG MDAITLEPAA GAHGELTGIL IIRAYHEDRG DATA SEQUENCE EGRTRRVVLV PDSAHGSNPA TASMAGYQVR EIPSGPEGEV DLEALKRELG DATA SEQUENCE PHVAALMLTN PNTLGLFERR ILEISRLCKE AGVQLYYDGA NLNAIMGWAR DATA SEQUENCE PGDMGFDVVH LNLHKTFTVP HGGGGPGSGP VGVKAHLAPY LPVPLVERGE DATA SEQUENCE EGFYLDFDRP KSIGRVRSFY GNFLALVRAW AYIRTLGLEG LKKAAALAVL DATA SEQUENCE NARYLKELLK EKGYRVPYDG PSMHEFVAQP PEGFRALDLA KGLLELGFHP DATA SEQUENCE PTVYFPLIVK EALMVEPTET EAKETLEAFA EAMGALLKKP KEWLENAPYS DATA SEQUENCE TPVRRLDELR ANKHPKLTYF DEG 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.715 174.600 0.192 0.000 1.055 2 S CA 0.000 58.264 58.200 0.107 0.000 1.107 2 S CB 0.000 63.240 63.200 0.067 0.000 0.593 3 F N 2.123 122.071 119.950 -0.002 0.000 2.630 3 F HA 0.660 5.187 4.527 -0.000 0.000 0.325 3 F C -2.463 173.340 175.800 0.004 0.000 1.184 3 F CA -1.184 56.809 58.000 -0.010 0.000 1.011 3 F CB 1.663 40.643 39.000 -0.033 0.000 1.268 3 F HN 0.701 nan 8.300 nan 0.000 0.480 4 P HA 0.194 nan 4.420 nan 0.000 0.269 4 P C -0.706 176.512 177.300 -0.136 0.000 1.215 4 P CA -0.175 62.761 63.100 -0.274 0.000 0.780 4 P CB 1.249 32.747 31.700 -0.338 0.000 0.898 5 L N 2.178 123.360 121.223 -0.069 0.000 2.418 5 L HA 0.134 4.474 4.340 -0.000 0.000 0.265 5 L C 2.134 178.806 176.870 -0.330 0.000 1.143 5 L CA -0.602 54.199 54.840 -0.064 0.000 0.809 5 L CB 0.565 42.589 42.059 -0.058 0.000 1.124 5 L HN 0.329 nan 8.230 nan 0.000 0.456 6 I N 0.786 120.973 120.570 -0.638 0.000 2.454 6 I HA -0.261 3.909 4.170 -0.000 0.000 0.254 6 I C 1.665 177.292 176.117 -0.817 0.000 1.156 6 I CA 1.732 62.396 61.300 -1.060 0.000 1.433 6 I CB -0.143 37.106 38.000 -1.251 0.000 1.082 6 I HN 0.472 nan 8.210 nan 0.000 0.432 7 F N 0.590 120.244 119.950 -0.492 0.000 2.456 7 F HA 0.011 4.538 4.527 0.000 0.000 0.298 7 F C 2.311 177.855 175.800 -0.427 0.000 1.104 7 F CA 0.836 58.502 58.000 -0.557 0.000 1.435 7 F CB -0.686 37.608 39.000 -1.176 0.000 1.078 7 F HN 0.144 nan 8.300 nan 0.000 0.546 8 E N -0.084 119.972 120.200 -0.239 0.000 2.299 8 E HA -0.027 4.323 4.350 -0.000 0.000 0.193 8 E C 1.997 178.528 176.600 -0.115 0.000 0.998 8 E CA 0.234 56.568 56.400 -0.111 0.000 0.851 8 E CB -0.053 29.599 29.700 -0.079 0.000 0.795 8 E HN 0.399 nan 8.360 nan 0.000 0.492 9 R N 0.816 121.202 120.500 -0.190 0.000 2.200 9 R HA 0.099 4.439 4.340 -0.000 0.000 0.208 9 R C 0.733 176.962 176.300 -0.119 0.000 1.033 9 R CA 0.026 56.024 56.100 -0.170 0.000 1.000 9 R CB 0.164 30.318 30.300 -0.243 0.000 0.906 9 R HN -0.073 nan 8.270 nan 0.000 0.462 10 S N 1.213 116.849 115.700 -0.107 0.000 2.563 10 S HA 0.116 4.586 4.470 -0.000 0.000 0.284 10 S C 0.190 174.786 174.600 -0.007 0.000 1.331 10 S CA 0.131 58.304 58.200 -0.044 0.000 1.047 10 S CB 0.629 63.837 63.200 0.014 0.000 0.859 10 S HN 0.123 nan 8.310 nan 0.000 0.514 11 R N 1.858 122.359 120.500 0.002 0.000 2.538 11 R HA 0.268 4.608 4.340 -0.000 0.000 0.292 11 R C -0.493 175.821 176.300 0.022 0.000 1.008 11 R CA -0.754 55.353 56.100 0.011 0.000 0.896 11 R CB 1.402 31.702 30.300 0.000 0.000 1.187 11 R HN 0.642 nan 8.270 nan 0.000 0.440 12 K N 0.835 121.254 120.400 0.030 0.000 2.473 12 K HA -0.062 4.258 4.320 -0.000 0.000 0.277 12 K C 0.757 177.371 176.600 0.023 0.000 1.052 12 K CA 1.829 58.135 56.287 0.032 0.000 1.114 12 K CB 0.051 32.570 32.500 0.031 0.000 0.869 12 K HN 0.826 nan 8.250 nan 0.000 0.481 13 G N 3.357 112.171 108.800 0.024 0.000 2.184 13 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.264 13 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.264 13 G C 0.219 175.128 174.900 0.016 0.000 0.975 13 G CA 0.552 45.663 45.100 0.019 0.000 0.642 13 G HN 0.722 nan 8.290 nan 0.000 0.536 14 R N 0.559 121.068 120.500 0.014 0.000 2.590 14 R HA 0.463 4.803 4.340 -0.000 0.000 0.274 14 R C 0.275 176.581 176.300 0.010 0.000 1.061 14 R CA -0.190 55.916 56.100 0.009 0.000 1.081 14 R CB 0.324 30.625 30.300 0.003 0.000 0.984 14 R HN 0.138 nan 8.270 nan 0.000 0.448 15 R N 1.856 122.361 120.500 0.009 0.000 2.732 15 R HA 0.404 4.744 4.340 -0.000 0.000 0.278 15 R C 0.030 176.336 176.300 0.010 0.000 0.976 15 R CA -0.429 55.678 56.100 0.011 0.000 0.963 15 R CB 1.894 32.201 30.300 0.012 0.000 1.150 15 R HN 0.931 nan 8.270 nan 0.000 0.478 16 G N 1.122 109.929 108.800 0.013 0.000 3.345 16 G HA2 0.297 4.257 3.960 -0.000 0.000 0.202 16 G HA3 0.297 4.257 3.960 -0.000 0.000 0.202 16 G C -0.221 174.688 174.900 0.016 0.000 1.740 16 G CA -0.564 44.545 45.100 0.015 0.000 0.806 16 G HN 0.311 nan 8.290 nan 0.000 0.718 17 L N 0.963 122.197 121.223 0.018 0.000 2.485 17 L HA 0.251 4.591 4.340 -0.000 0.000 0.275 17 L C -0.235 176.644 176.870 0.015 0.000 1.207 17 L CA 0.472 55.322 54.840 0.016 0.000 0.855 17 L CB 0.559 42.627 42.059 0.016 0.000 1.114 17 L HN 0.324 nan 8.230 nan 0.000 0.485 18 K N 4.887 125.295 120.400 0.013 0.000 2.575 18 K HA 0.335 4.655 4.320 -0.000 0.000 0.236 18 K C 0.104 176.711 176.600 0.011 0.000 0.976 18 K CA -0.261 56.033 56.287 0.012 0.000 0.985 18 K CB 1.207 33.714 32.500 0.011 0.000 1.198 18 K HN 0.522 nan 8.250 nan 0.000 0.464 19 L N 1.397 122.627 121.223 0.012 0.000 2.607 19 L HA 0.197 4.537 4.340 -0.000 0.000 0.228 19 L C -0.095 176.781 176.870 0.010 0.000 1.123 19 L CA -0.135 54.711 54.840 0.011 0.000 0.890 19 L CB 0.450 42.515 42.059 0.011 0.000 1.103 19 L HN 0.185 nan 8.230 nan 0.000 0.468 20 V N -0.416 119.504 119.914 0.010 0.000 2.525 20 V HA 0.234 4.354 4.120 -0.000 0.000 0.299 20 V C 0.553 176.653 176.094 0.009 0.000 1.034 20 V CA -0.799 61.507 62.300 0.010 0.000 0.863 20 V CB 2.273 34.102 31.823 0.011 0.000 0.999 20 V HN 0.066 nan 8.190 nan 0.000 0.423 21 K N 2.840 123.245 120.400 0.008 0.000 1.995 21 K HA 0.219 4.539 4.320 -0.000 0.000 0.207 21 K C 0.920 177.525 176.600 0.007 0.000 1.041 21 K CA 1.334 57.626 56.287 0.007 0.000 0.942 21 K CB 0.158 32.662 32.500 0.007 0.000 0.731 21 K HN 0.722 nan 8.250 nan 0.000 0.439 22 A N 2.450 125.274 122.820 0.007 0.000 2.540 22 A HA 0.236 4.556 4.320 -0.000 0.000 0.340 22 A C -0.479 177.110 177.584 0.008 0.000 1.424 22 A CA -0.381 51.661 52.037 0.007 0.000 0.940 22 A CB 0.404 19.408 19.000 0.006 0.000 1.149 22 A HN 0.109 nan 8.150 nan 0.000 0.505 23 V N 5.638 125.557 119.914 0.009 0.000 2.439 23 V HA 0.376 4.496 4.120 -0.000 0.000 0.271 23 V C -1.293 174.806 176.094 0.009 0.000 1.040 23 V CA -1.447 60.859 62.300 0.010 0.000 1.002 23 V CB 0.437 32.266 31.823 0.010 0.000 1.000 23 V HN 0.839 nan 8.190 nan 0.000 0.477 24 P HA 0.253 nan 4.420 nan 0.000 0.274 24 P C -1.010 176.296 177.300 0.010 0.000 1.260 24 P CA -0.451 62.655 63.100 0.010 0.000 0.793 24 P CB 0.612 32.318 31.700 0.010 0.000 1.048 25 K N -0.178 120.228 120.400 0.010 0.000 2.213 25 K HA 0.380 4.700 4.320 -0.000 0.000 0.270 25 K C 1.083 177.690 176.600 0.011 0.000 1.002 25 K CA -0.336 55.957 56.287 0.010 0.000 0.868 25 K CB 1.700 34.204 32.500 0.008 0.000 1.093 25 K HN 0.509 nan 8.250 nan 0.000 0.454 26 A N 4.144 126.971 122.820 0.013 0.000 1.896 26 A HA -0.286 4.034 4.320 -0.000 0.000 0.220 26 A C 1.694 179.288 177.584 0.016 0.000 1.206 26 A CA 2.452 54.498 52.037 0.017 0.000 0.647 26 A CB -0.642 18.369 19.000 0.018 0.000 0.828 26 A HN 0.910 nan 8.150 nan 0.000 0.455 27 E N -0.793 119.413 120.200 0.011 0.000 2.233 27 E HA -0.281 4.069 4.350 -0.000 0.000 0.199 27 E C 0.797 177.402 176.600 0.008 0.000 1.004 27 E CA 1.542 57.947 56.400 0.008 0.000 0.819 27 E CB -0.543 29.160 29.700 0.004 0.000 0.738 27 E HN 0.591 nan 8.360 nan 0.000 0.478 28 D N 0.010 120.415 120.400 0.009 0.000 2.323 28 D HA 0.008 4.648 4.640 -0.000 0.000 0.209 28 D C 1.679 177.986 176.300 0.012 0.000 0.973 28 D CA 0.468 54.474 54.000 0.009 0.000 0.874 28 D CB 0.310 41.114 40.800 0.008 0.000 0.930 28 D HN 0.219 nan 8.370 nan 0.000 0.521 29 L N 0.308 121.541 121.223 0.016 0.000 2.388 29 L HA 0.219 4.559 4.340 -0.000 0.000 0.209 29 L C 0.694 177.581 176.870 0.029 0.000 1.061 29 L CA 0.546 55.398 54.840 0.021 0.000 0.834 29 L CB 0.008 42.079 42.059 0.021 0.000 1.029 29 L HN -0.000 nan 8.230 nan 0.000 0.473 30 I N -1.114 119.476 120.570 0.034 0.000 2.647 30 I HA 0.507 4.677 4.170 -0.000 0.000 0.295 30 I C -2.832 173.308 176.117 0.040 0.000 1.078 30 I CA -2.406 58.926 61.300 0.054 0.000 1.048 30 I CB 1.576 39.621 38.000 0.074 0.000 1.239 30 I HN -0.136 nan 8.210 nan 0.000 0.421 31 P HA 0.029 nan 4.420 nan 0.000 0.265 31 P C 0.447 177.725 177.300 -0.038 0.000 1.193 31 P CA -0.135 62.945 63.100 -0.032 0.000 0.765 31 P CB 1.086 32.723 31.700 -0.104 0.000 0.823 32 K N 2.646 123.023 120.400 -0.037 0.000 2.160 32 K HA -0.224 4.096 4.320 -0.000 0.000 0.206 32 K C 1.562 178.139 176.600 -0.038 0.000 1.047 32 K CA 1.727 57.999 56.287 -0.025 0.000 0.930 32 K CB -0.278 32.208 32.500 -0.024 0.000 0.720 32 K HN 0.412 nan 8.250 nan 0.000 0.450 33 E N -0.306 119.831 120.200 -0.106 0.000 2.204 33 E HA -0.147 4.203 4.350 -0.000 0.000 0.195 33 E C 1.150 177.713 176.600 -0.062 0.000 0.990 33 E CA 1.501 57.820 56.400 -0.136 0.000 0.821 33 E CB -0.058 29.488 29.700 -0.258 0.000 0.750 33 E HN 0.557 nan 8.360 nan 0.000 0.477 34 H N -1.497 117.574 119.070 0.001 0.000 2.648 34 H HA 0.260 4.816 4.556 -0.000 0.000 0.265 34 H C 0.040 175.368 175.328 0.001 0.000 0.961 34 H CA -0.626 55.422 56.048 0.001 0.000 1.185 34 H CB 0.587 30.351 29.762 0.003 0.000 1.449 34 H HN 0.049 nan 8.280 nan 0.000 0.523 35 L N 2.134 123.421 121.223 0.107 0.000 2.453 35 L HA 0.063 4.403 4.340 -0.000 0.000 0.272 35 L C 0.723 177.619 176.870 0.044 0.000 1.182 35 L CA 0.022 54.899 54.840 0.061 0.000 0.858 35 L CB 0.689 42.769 42.059 0.036 0.000 1.120 35 L HN 0.212 nan 8.230 nan 0.000 0.474 36 R N 2.404 122.923 120.500 0.032 0.000 2.389 36 R HA 0.053 4.393 4.340 -0.000 0.000 0.295 36 R C 0.542 176.849 176.300 0.012 0.000 1.075 36 R CA -0.078 56.034 56.100 0.019 0.000 1.005 36 R CB 0.787 31.095 30.300 0.014 0.000 0.987 36 R HN 0.674 nan 8.270 nan 0.000 0.452 37 E N 2.195 122.398 120.200 0.006 0.000 2.075 37 E HA 0.010 4.360 4.350 -0.000 0.000 0.190 37 E C -0.235 176.361 176.600 -0.006 0.000 0.969 37 E CA 0.588 56.988 56.400 0.000 0.000 0.815 37 E CB 0.489 30.188 29.700 -0.002 0.000 0.776 37 E HN 0.312 nan 8.360 nan 0.000 0.457 38 V N 3.846 123.753 119.914 -0.013 0.000 2.350 38 V HA 0.213 4.333 4.120 -0.000 0.000 0.276 38 V C -2.276 173.803 176.094 -0.025 0.000 1.028 38 V CA -1.807 60.478 62.300 -0.024 0.000 0.860 38 V CB 0.736 32.536 31.823 -0.038 0.000 0.990 38 V HN 0.073 nan 8.190 nan 0.000 0.453 39 P HA 0.168 nan 4.420 nan 0.000 0.268 39 P C -2.410 174.873 177.300 -0.027 0.000 1.208 39 P CA -0.797 62.297 63.100 -0.011 0.000 0.777 39 P CB -0.181 31.519 31.700 0.000 0.000 0.875 40 P HA 0.161 nan 4.420 nan 0.000 0.275 40 P C -0.410 176.881 177.300 -0.015 0.000 1.228 40 P CA -0.171 62.914 63.100 -0.024 0.000 0.786 40 P CB 0.803 32.512 31.700 0.014 0.000 0.927 41 R N 1.768 122.219 120.500 -0.082 0.000 4.792 41 R HA 0.199 4.539 4.340 -0.000 0.000 0.205 41 R C 0.015 176.458 176.300 0.237 0.000 1.875 41 R CA -0.529 55.560 56.100 -0.018 0.000 1.588 41 R CB -0.744 29.332 30.300 -0.374 0.000 1.401 41 R HN 0.364 nan 8.270 nan 0.000 0.834 42 L N 1.977 123.326 121.223 0.210 0.000 2.453 42 L HA 0.240 4.580 4.340 -0.000 0.000 0.261 42 L C -1.537 175.493 176.870 0.267 0.000 1.179 42 L CA -2.007 53.001 54.840 0.280 0.000 0.813 42 L CB -0.017 42.139 42.059 0.162 0.000 1.110 42 L HN 0.202 nan 8.230 nan 0.000 0.466 43 P HA 0.061 nan 4.420 nan 0.000 0.269 43 P C -1.181 176.139 177.300 0.033 0.000 1.215 43 P CA -0.228 62.907 63.100 0.059 0.000 0.780 43 P CB 0.448 32.020 31.700 -0.213 0.000 0.898 44 E N 0.896 121.106 120.200 0.017 0.000 2.376 44 E HA 0.347 4.697 4.350 -0.000 0.000 0.236 44 E C -0.292 176.298 176.600 -0.018 0.000 0.962 44 E CA -0.674 55.734 56.400 0.013 0.000 0.768 44 E CB 1.081 30.800 29.700 0.032 0.000 1.236 44 E HN 0.291 nan 8.360 nan 0.000 0.431 45 V N -0.892 119.004 119.914 -0.030 0.000 3.040 45 V HA 0.504 4.624 4.120 -0.000 0.000 0.312 45 V C -0.272 175.813 176.094 -0.015 0.000 1.115 45 V CA -1.171 61.105 62.300 -0.040 0.000 0.998 45 V CB 2.180 33.952 31.823 -0.084 0.000 1.042 45 V HN 0.387 nan 8.190 nan 0.000 0.433 46 D N 0.667 121.061 120.400 -0.011 0.000 2.383 46 D HA 0.153 4.793 4.640 -0.000 0.000 0.248 46 D C 0.665 176.973 176.300 0.013 0.000 1.170 46 D CA -0.223 53.779 54.000 0.003 0.000 0.977 46 D CB 2.004 42.805 40.800 0.002 0.000 1.120 46 D HN 0.806 nan 8.370 nan 0.000 0.481 47 E N -0.391 119.822 120.200 0.021 0.000 2.085 47 E HA -0.163 4.187 4.350 -0.000 0.000 0.194 47 E C 2.038 178.663 176.600 0.042 0.000 0.994 47 E CA 0.483 56.903 56.400 0.034 0.000 0.801 47 E CB 0.012 29.730 29.700 0.030 0.000 0.743 47 E HN 0.482 nan 8.360 nan 0.000 0.453 48 L N 0.575 121.816 121.223 0.030 0.000 2.012 48 L HA -0.207 4.133 4.340 -0.000 0.000 0.210 48 L C 2.334 179.226 176.870 0.036 0.000 1.073 48 L CA 1.840 56.700 54.840 0.032 0.000 0.748 48 L CB -0.511 41.561 42.059 0.021 0.000 0.891 48 L HN 0.272 nan 8.230 nan 0.000 0.431 49 T N 0.326 114.891 114.554 0.019 0.000 2.708 49 T HA -0.245 4.105 4.350 -0.000 0.000 0.266 49 T C 1.752 176.472 174.700 0.033 0.000 1.037 49 T CA 1.649 63.752 62.100 0.004 0.000 1.146 49 T CB -0.351 68.497 68.868 -0.033 0.000 0.865 49 T HN 0.266 nan 8.240 nan 0.000 0.435 50 L N 1.202 122.456 121.223 0.051 0.000 2.012 50 L HA -0.098 4.242 4.340 -0.000 0.000 0.210 50 L C 2.434 179.437 176.870 0.221 0.000 1.073 50 L CA 1.549 56.467 54.840 0.129 0.000 0.748 50 L CB -0.613 41.531 42.059 0.142 0.000 0.891 50 L HN 0.065 nan 8.230 nan 0.000 0.431 51 V N -0.197 119.810 119.914 0.156 0.000 2.295 51 V HA -0.292 3.828 4.120 -0.000 0.000 0.246 51 V C 2.725 178.905 176.094 0.143 0.000 1.049 51 V CA 2.207 64.598 62.300 0.152 0.000 1.024 51 V CB -0.637 31.242 31.823 0.094 0.000 0.648 51 V HN 0.455 nan 8.190 nan 0.000 0.447 52 R N -1.075 119.490 120.500 0.108 0.000 2.096 52 R HA -0.187 4.153 4.340 -0.000 0.000 0.235 52 R C 2.313 178.696 176.300 0.138 0.000 1.127 52 R CA 1.776 57.937 56.100 0.101 0.000 0.968 52 R CB -0.456 29.883 30.300 0.065 0.000 0.861 52 R HN 0.680 nan 8.270 nan 0.000 0.440 53 H N -0.350 118.726 119.070 0.009 0.000 2.270 53 H HA -0.160 4.396 4.556 -0.000 0.000 0.299 53 H C 1.470 176.774 175.328 -0.040 0.000 1.077 53 H CA 1.968 57.992 56.048 -0.040 0.000 1.294 53 H CB -0.233 29.348 29.762 -0.301 0.000 1.371 53 H HN 0.145 nan 8.280 nan 0.000 0.491 54 Y N -0.118 120.228 120.300 0.077 0.000 2.293 54 Y HA -0.123 4.427 4.550 -0.000 0.000 0.291 54 Y C 2.854 178.728 175.900 -0.043 0.000 1.137 54 Y CA 1.578 59.666 58.100 -0.021 0.000 1.202 54 Y CB -0.562 37.926 38.460 0.047 0.000 0.990 54 Y HN 0.268 nan 8.280 nan 0.000 0.537 55 T N -0.916 113.715 114.554 0.129 0.000 2.821 55 T HA -0.118 4.232 4.350 -0.000 0.000 0.267 55 T C 2.270 176.973 174.700 0.005 0.000 1.046 55 T CA 1.302 63.443 62.100 0.068 0.000 1.139 55 T CB -0.774 68.138 68.868 0.073 0.000 0.871 55 T HN 0.560 nan 8.240 nan 0.000 0.454 56 G N 1.308 110.117 108.800 0.015 0.000 2.402 56 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.216 56 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.216 56 G C 1.490 176.125 174.900 -0.441 0.000 1.162 56 G CA 0.337 45.406 45.100 -0.052 0.000 0.777 56 G HN 0.421 nan 8.290 nan 0.000 0.539 57 L N 1.504 122.434 121.223 -0.487 0.000 2.046 57 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 57 L C 3.357 180.070 176.870 -0.261 0.000 1.077 57 L CA 1.593 56.121 54.840 -0.519 0.000 0.747 57 L CB -0.512 41.334 42.059 -0.354 0.000 0.896 57 L HN 0.449 nan 8.230 nan 0.000 0.432 58 S N -0.015 115.609 115.700 -0.127 0.000 2.399 58 S HA -0.219 4.251 4.470 -0.000 0.000 0.231 58 S C 1.969 176.526 174.600 -0.072 0.000 1.022 58 S CA 0.919 59.083 58.200 -0.059 0.000 0.983 58 S CB -0.431 62.764 63.200 -0.008 0.000 0.803 58 S HN 0.376 nan 8.310 nan 0.000 0.480 59 R N 0.775 121.213 120.500 -0.102 0.000 2.339 59 R HA 0.233 4.573 4.340 -0.000 0.000 0.199 59 R C 1.243 177.478 176.300 -0.108 0.000 1.018 59 R CA 0.506 56.557 56.100 -0.081 0.000 1.036 59 R CB -0.044 30.219 30.300 -0.062 0.000 0.899 59 R HN 0.391 nan 8.270 nan 0.000 0.473 60 R N -0.034 120.364 120.500 -0.170 0.000 2.696 60 R HA 0.141 4.481 4.340 -0.000 0.000 0.355 60 R C -0.508 175.732 176.300 -0.100 0.000 1.138 60 R CA -0.159 55.841 56.100 -0.166 0.000 1.059 60 R CB 0.629 30.749 30.300 -0.301 0.000 1.380 60 R HN -0.074 nan 8.270 nan 0.000 0.578 61 Q N 0.555 120.323 119.800 -0.054 0.000 2.418 61 Q HA 0.423 4.763 4.340 -0.000 0.000 0.282 61 Q C -1.414 174.611 176.000 0.042 0.000 1.044 61 Q CA -0.844 54.959 55.803 0.000 0.000 0.813 61 Q CB 2.276 31.011 28.738 -0.006 0.000 1.428 61 Q HN 0.045 nan 8.270 nan 0.000 0.402 62 V N -0.275 119.701 119.914 0.104 0.000 2.960 62 V HA 1.117 5.237 4.120 -0.000 0.000 0.315 62 V C -0.184 176.060 176.094 0.251 0.000 1.087 62 V CA 0.075 62.468 62.300 0.155 0.000 0.982 62 V CB 1.543 33.459 31.823 0.156 0.000 1.039 62 V HN 0.875 nan 8.190 nan 0.000 0.437 63 G N 0.292 109.246 108.800 0.256 0.000 2.749 63 G HA2 0.504 4.463 3.960 -0.000 0.000 0.300 63 G HA3 0.504 4.463 3.960 -0.000 0.000 0.300 63 G C 0.085 175.095 174.900 0.183 0.000 1.352 63 G CA 0.075 45.262 45.100 0.146 0.000 0.789 63 G HN 0.905 nan 8.290 nan 0.000 0.509 64 V N 0.259 120.167 119.914 -0.011 0.000 2.407 64 V HA -0.104 4.016 4.120 -0.000 0.000 0.248 64 V C 2.396 178.575 176.094 0.143 0.000 1.055 64 V CA 2.372 64.729 62.300 0.094 0.000 1.049 64 V CB -0.476 31.360 31.823 0.022 0.000 0.662 64 V HN 0.640 nan 8.190 nan 0.000 0.455 65 D N 0.149 120.617 120.400 0.113 0.000 2.265 65 D HA -0.117 4.522 4.640 -0.000 0.000 0.208 65 D C 2.172 178.527 176.300 0.092 0.000 0.977 65 D CA 1.820 55.888 54.000 0.112 0.000 0.871 65 D CB 0.003 40.857 40.800 0.090 0.000 0.925 65 D HN 0.698 nan 8.370 nan 0.000 0.485 66 T N -5.281 109.338 114.554 0.108 0.000 2.964 66 T HA 0.187 4.537 4.350 -0.000 0.000 0.249 66 T C 0.692 175.454 174.700 0.103 0.000 1.000 66 T CA -0.082 62.070 62.100 0.088 0.000 0.992 66 T CB 0.712 69.626 68.868 0.077 0.000 1.087 66 T HN -0.133 nan 8.240 nan 0.000 0.489 67 T N 1.895 116.549 114.554 0.166 0.000 2.900 67 T HA 0.543 4.893 4.350 -0.000 0.000 0.303 67 T C -1.667 173.201 174.700 0.281 0.000 1.142 67 T CA -0.718 61.489 62.100 0.178 0.000 1.007 67 T CB 1.836 70.762 68.868 0.097 0.000 1.156 67 T HN 0.154 nan 8.240 nan 0.000 0.490 68 F N 2.852 122.866 119.950 0.107 0.000 2.541 68 F HA 0.354 4.881 4.527 -0.000 0.000 0.378 68 F C -0.832 174.993 175.800 0.042 0.000 1.068 68 F CA -1.334 56.720 58.000 0.090 0.000 1.199 68 F CB -0.152 38.916 39.000 0.114 0.000 1.091 68 F HN 0.559 nan 8.300 nan 0.000 0.555 69 Y N 8.368 128.496 120.300 -0.287 0.000 2.836 69 Y HA 0.311 4.860 4.550 -0.000 0.000 0.359 69 Y C -1.776 173.761 175.900 -0.604 0.000 1.060 69 Y CA -2.337 55.484 58.100 -0.464 0.000 1.161 69 Y CB 0.477 38.712 38.460 -0.376 0.000 1.225 69 Y HN 0.427 nan 8.280 nan 0.000 0.621 70 P HA -0.059 nan 4.420 nan 0.000 0.286 70 P C -0.372 176.704 177.300 -0.374 0.000 1.577 70 P CA 0.119 62.757 63.100 -0.770 0.000 0.805 70 P CB -0.121 30.822 31.700 -1.261 0.000 1.706 71 L N 1.024 122.120 121.223 -0.212 0.000 2.565 71 L HA 0.217 4.557 4.340 -0.000 0.000 0.275 71 L C 1.504 178.302 176.870 -0.120 0.000 1.137 71 L CA 0.253 55.023 54.840 -0.117 0.000 0.915 71 L CB -0.576 41.448 42.059 -0.058 0.000 1.232 71 L HN 0.059 nan 8.230 nan 0.000 0.473 72 G N 1.850 110.575 108.800 -0.125 0.000 2.432 72 G HA2 0.297 4.257 3.960 -0.000 0.000 0.239 72 G HA3 0.297 4.257 3.960 -0.000 0.000 0.239 72 G C 0.792 175.671 174.900 -0.035 0.000 1.291 72 G CA 0.350 45.382 45.100 -0.112 0.000 0.863 72 G HN 0.764 nan 8.290 nan 0.000 0.560 73 S N -0.326 115.371 115.700 -0.005 0.000 2.857 73 S HA -0.249 4.221 4.470 -0.000 0.000 0.268 73 S C 1.548 176.135 174.600 -0.021 0.000 1.297 73 S CA 1.105 59.316 58.200 0.019 0.000 1.280 73 S CB -1.489 61.718 63.200 0.012 0.000 1.562 73 S HN 0.886 nan 8.310 nan 0.000 0.661 74 C N 0.154 119.439 119.300 -0.025 0.000 3.270 74 C HA 0.367 4.827 4.460 -0.000 0.000 0.369 74 C C 1.096 176.102 174.990 0.027 0.000 1.326 74 C CA 0.518 59.522 59.018 -0.023 0.000 1.846 74 C CB -0.348 27.326 27.740 -0.109 0.000 2.534 74 C HN 0.759 nan 8.230 nan 0.000 0.649 75 T N 2.595 117.153 114.554 0.006 0.000 3.429 75 T HA -0.150 4.200 4.350 -0.000 0.000 0.417 75 T C 0.013 174.733 174.700 0.033 0.000 0.767 75 T CA 0.555 62.674 62.100 0.032 0.000 2.141 75 T CB -0.946 67.937 68.868 0.025 0.000 1.699 75 T HN 0.404 nan 8.240 nan 0.000 0.685 76 M N 1.900 121.458 119.600 -0.070 0.000 3.596 76 M HA 0.112 4.592 4.480 -0.000 0.000 0.212 76 M C 1.017 177.323 176.300 0.009 0.000 1.519 76 M CA 0.405 55.624 55.300 -0.136 0.000 1.670 76 M CB -0.954 31.497 32.600 -0.249 0.000 1.113 76 M HN 0.516 nan 8.290 nan 0.000 0.565 77 K N -0.302 120.130 120.400 0.052 0.000 2.098 77 K HA 0.255 4.575 4.320 -0.000 0.000 0.244 77 K C -0.218 176.437 176.600 0.093 0.000 1.014 77 K CA -0.795 55.537 56.287 0.075 0.000 0.917 77 K CB 0.757 33.278 32.500 0.036 0.000 1.072 77 K HN 0.119 nan 8.250 nan 0.000 0.477 78 Y N 1.593 121.890 120.300 -0.005 0.000 2.712 78 Y HA -0.047 4.503 4.550 -0.000 0.000 0.333 78 Y C -0.905 174.958 175.900 -0.062 0.000 1.225 78 Y CA 0.016 58.103 58.100 -0.021 0.000 1.499 78 Y CB 0.099 38.552 38.460 -0.013 0.000 1.288 78 Y HN 0.642 nan 8.280 nan 0.000 0.575 79 N N 8.152 126.470 118.700 -0.637 0.000 2.699 79 N HA 0.246 4.986 4.740 -0.000 0.000 0.232 79 N C -2.845 171.959 175.510 -1.177 0.000 1.027 79 N CA -1.557 51.097 53.050 -0.661 0.000 0.920 79 N CB 0.539 38.862 38.487 -0.275 0.000 1.148 79 N HN 0.418 nan 8.380 nan 0.000 0.509 80 P HA -0.098 nan 4.420 nan 0.000 0.260 80 P C 0.230 177.214 177.300 -0.527 0.000 1.172 80 P CA -0.033 62.438 63.100 -1.048 0.000 0.760 80 P CB 1.017 32.212 31.700 -0.841 0.000 0.773 81 K N 2.524 122.812 120.400 -0.186 0.000 2.209 81 K HA -0.126 4.194 4.320 -0.000 0.000 0.204 81 K C 1.802 178.387 176.600 -0.025 0.000 1.048 81 K CA 0.803 57.060 56.287 -0.049 0.000 0.940 81 K CB -0.874 31.656 32.500 0.051 0.000 0.729 81 K HN 0.388 nan 8.250 nan 0.000 0.451 82 L N 0.988 122.186 121.223 -0.042 0.000 2.081 82 L HA -0.218 4.122 4.340 -0.000 0.000 0.212 82 L C 1.970 178.939 176.870 0.166 0.000 1.080 82 L CA 1.866 56.742 54.840 0.060 0.000 0.754 82 L CB -0.477 41.632 42.059 0.084 0.000 0.893 82 L HN 0.311 nan 8.230 nan 0.000 0.433 83 H N -1.313 117.766 119.070 0.016 0.000 2.457 83 H HA -0.076 4.480 4.556 -0.000 0.000 0.294 83 H C 1.794 177.125 175.328 0.005 0.000 1.064 83 H CA 0.706 56.761 56.048 0.012 0.000 1.330 83 H CB 0.246 29.990 29.762 -0.030 0.000 1.395 83 H HN 0.417 nan 8.280 nan 0.000 0.541 84 E N 0.922 121.187 120.200 0.110 0.000 2.072 84 E HA -0.149 4.201 4.350 -0.000 0.000 0.190 84 E C 2.154 178.797 176.600 0.072 0.000 0.982 84 E CA 0.744 57.181 56.400 0.063 0.000 0.803 84 E CB -0.070 29.648 29.700 0.031 0.000 0.755 84 E HN 0.459 nan 8.360 nan 0.000 0.453 85 E N 1.408 121.657 120.200 0.081 0.000 2.077 85 E HA -0.102 4.248 4.350 -0.000 0.000 0.193 85 E C 1.889 178.554 176.600 0.108 0.000 0.989 85 E CA 1.481 57.930 56.400 0.082 0.000 0.800 85 E CB -0.333 29.415 29.700 0.080 0.000 0.746 85 E HN 0.151 nan 8.360 nan 0.000 0.452 86 A N 0.848 123.751 122.820 0.139 0.000 1.902 86 A HA -0.061 4.259 4.320 -0.000 0.000 0.217 86 A C 2.464 180.161 177.584 0.187 0.000 1.181 86 A CA 2.255 54.394 52.037 0.171 0.000 0.623 86 A CB -1.060 18.042 19.000 0.170 0.000 0.818 86 A HN 0.403 nan 8.150 nan 0.000 0.443 87 A N 0.608 123.496 122.820 0.114 0.000 1.930 87 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 87 A C 2.188 179.865 177.584 0.156 0.000 1.175 87 A CA 1.753 53.846 52.037 0.094 0.000 0.627 87 A CB -0.521 18.493 19.000 0.024 0.000 0.815 87 A HN 0.711 nan 8.150 nan 0.000 0.443 88 R N -0.812 119.754 120.500 0.111 0.000 2.241 88 R HA -0.037 4.303 4.340 -0.000 0.000 0.224 88 R C 1.208 177.555 176.300 0.078 0.000 1.101 88 R CA 1.265 57.414 56.100 0.083 0.000 0.995 88 R CB -0.495 29.835 30.300 0.050 0.000 0.870 88 R HN 0.286 nan 8.270 nan 0.000 0.463 89 L N 0.086 121.372 121.223 0.104 0.000 2.362 89 L HA 0.021 4.361 4.340 -0.000 0.000 0.219 89 L C 0.636 177.351 176.870 -0.257 0.000 1.134 89 L CA 1.434 56.235 54.840 -0.065 0.000 0.807 89 L CB -0.300 41.715 42.059 -0.072 0.000 0.927 89 L HN 0.208 nan 8.230 nan 0.000 0.447 90 F N -2.157 117.825 119.950 0.054 0.000 2.764 90 F HA 0.384 4.911 4.527 -0.000 0.000 0.310 90 F C 1.666 177.528 175.800 0.103 0.000 1.124 90 F CA 0.076 58.148 58.000 0.121 0.000 1.252 90 F CB -0.810 38.388 39.000 0.331 0.000 1.010 90 F HN -0.080 nan 8.300 nan 0.000 0.518 91 A N -0.686 122.235 122.820 0.168 0.000 1.898 91 A HA -0.110 4.210 4.320 -0.000 0.000 0.216 91 A C 1.186 178.802 177.584 0.053 0.000 1.181 91 A CA 1.406 53.503 52.037 0.101 0.000 0.620 91 A CB -0.333 18.701 19.000 0.056 0.000 0.819 91 A HN 0.116 nan 8.150 nan 0.000 0.442 92 D N 0.397 120.814 120.400 0.028 0.000 3.057 92 D HA 0.393 5.033 4.640 -0.000 0.000 0.246 92 D C -0.727 175.574 176.300 0.003 0.000 1.238 92 D CA 0.376 54.380 54.000 0.006 0.000 0.949 92 D CB 0.000 40.797 40.800 -0.006 0.000 1.086 92 D HN 0.282 nan 8.370 nan 0.000 0.487 93 L N 0.534 121.756 121.223 -0.001 0.000 2.365 93 L HA 0.286 4.626 4.340 -0.000 0.000 0.273 93 L C -0.076 176.759 176.870 -0.058 0.000 1.000 93 L CA -0.858 53.967 54.840 -0.024 0.000 0.819 93 L CB 2.699 44.723 42.059 -0.058 0.000 1.284 93 L HN 0.149 nan 8.230 nan 0.000 0.418 94 H N 5.235 124.235 119.070 -0.117 0.000 2.467 94 H HA 0.281 4.837 4.556 -0.000 0.000 0.326 94 H C -1.952 173.264 175.328 -0.187 0.000 1.094 94 H CA -1.875 54.074 56.048 -0.165 0.000 1.253 94 H CB 2.411 32.118 29.762 -0.092 0.000 1.439 94 H HN 0.364 nan 8.280 nan 0.000 0.479 95 P HA -0.155 nan 4.420 nan 0.000 0.221 95 P C 0.173 177.565 177.300 0.153 0.000 1.145 95 P CA 1.152 64.080 63.100 -0.287 0.000 0.795 95 P CB 0.180 31.268 31.700 -1.021 0.000 0.775 96 Y N -0.013 120.583 120.300 0.493 0.000 2.555 96 Y HA 0.186 4.736 4.550 -0.000 0.000 0.259 96 Y C 1.533 177.536 175.900 0.171 0.000 1.179 96 Y CA -1.314 56.999 58.100 0.354 0.000 1.230 96 Y CB -0.909 37.752 38.460 0.334 0.000 1.146 96 Y HN 0.162 nan 8.280 nan 0.000 0.526 97 Q N -0.064 119.902 119.800 0.276 0.000 2.394 97 Q HA 0.043 4.383 4.340 -0.000 0.000 0.248 97 Q C -0.161 175.899 176.000 0.101 0.000 0.992 97 Q CA -0.620 55.245 55.803 0.104 0.000 0.888 97 Q CB 0.758 29.535 28.738 0.065 0.000 1.257 97 Q HN 0.093 nan 8.270 nan 0.000 0.462 98 D N 2.839 123.273 120.400 0.055 0.000 2.662 98 D HA -0.068 4.572 4.640 -0.000 0.000 0.233 98 D C -1.299 175.032 176.300 0.052 0.000 1.129 98 D CA -1.232 52.797 54.000 0.049 0.000 0.851 98 D CB 1.008 41.822 40.800 0.023 0.000 1.152 98 D HN 0.435 nan 8.370 nan 0.000 0.507 99 P HA -0.154 nan 4.420 nan 0.000 0.221 99 P C 1.043 178.370 177.300 0.045 0.000 1.145 99 P CA 0.858 63.991 63.100 0.055 0.000 0.795 99 P CB 0.217 31.962 31.700 0.074 0.000 0.775 100 R N -0.068 120.453 120.500 0.035 0.000 2.285 100 R HA -0.020 4.320 4.340 -0.000 0.000 0.213 100 R C 1.752 178.065 176.300 0.023 0.000 1.068 100 R CA 1.670 57.785 56.100 0.026 0.000 1.004 100 R CB -0.656 29.651 30.300 0.012 0.000 0.873 100 R HN 0.350 nan 8.270 nan 0.000 0.467 101 T N -4.199 110.367 114.554 0.020 0.000 3.092 101 T HA 0.352 4.702 4.350 -0.000 0.000 0.258 101 T C 0.869 175.574 174.700 0.008 0.000 1.031 101 T CA 0.109 62.216 62.100 0.012 0.000 0.925 101 T CB 1.076 69.948 68.868 0.006 0.000 1.036 101 T HN 0.084 nan 8.240 nan 0.000 0.544 102 A N 0.452 123.279 122.820 0.013 0.000 2.610 102 A HA 0.375 4.695 4.320 -0.000 0.000 0.291 102 A C 1.863 179.451 177.584 0.006 0.000 1.116 102 A CA -0.401 51.632 52.037 -0.007 0.000 0.963 102 A CB 0.057 19.036 19.000 -0.036 0.000 1.220 102 A HN 0.215 nan 8.150 nan 0.000 0.530 103 Q N 0.096 119.924 119.800 0.046 0.000 2.135 103 Q HA -0.160 4.180 4.340 -0.000 0.000 0.204 103 Q C 2.030 178.066 176.000 0.060 0.000 0.981 103 Q CA 1.890 57.752 55.803 0.098 0.000 0.856 103 Q CB -0.482 28.334 28.738 0.130 0.000 0.902 103 Q HN 0.680 nan 8.270 nan 0.000 0.425 104 G N 0.592 109.426 108.800 0.057 0.000 2.418 104 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.217 104 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.217 104 G C 1.550 176.501 174.900 0.086 0.000 1.158 104 G CA 1.174 46.321 45.100 0.078 0.000 0.771 104 G HN 0.464 nan 8.290 nan 0.000 0.545 105 A N 0.433 123.312 122.820 0.100 0.000 1.898 105 A HA 0.152 4.472 4.320 -0.000 0.000 0.216 105 A C 2.330 179.862 177.584 -0.087 0.000 1.181 105 A CA 1.155 53.209 52.037 0.029 0.000 0.620 105 A CB -0.349 18.468 19.000 -0.305 0.000 0.819 105 A HN 0.265 nan 8.150 nan 0.000 0.442 106 L N -0.006 121.138 121.223 -0.132 0.000 2.083 106 L HA -0.117 4.223 4.340 -0.000 0.000 0.209 106 L C 2.533 179.159 176.870 -0.406 0.000 1.083 106 L CA 2.123 56.863 54.840 -0.167 0.000 0.752 106 L CB -1.323 40.715 42.059 -0.035 0.000 0.899 106 L HN 0.579 nan 8.230 nan 0.000 0.433 107 R N -0.043 120.090 120.500 -0.612 0.000 2.081 107 R HA -0.183 4.157 4.340 -0.000 0.000 0.235 107 R C 2.448 178.464 176.300 -0.473 0.000 1.131 107 R CA 1.411 56.865 56.100 -1.076 0.000 0.960 107 R CB -0.356 29.571 30.300 -0.621 0.000 0.856 107 R HN 0.322 nan 8.270 nan 0.000 0.436 108 L N 0.542 121.560 121.223 -0.341 0.000 2.046 108 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 108 L C 2.424 179.147 176.870 -0.245 0.000 1.077 108 L CA 1.527 56.108 54.840 -0.431 0.000 0.747 108 L CB -0.122 41.542 42.059 -0.658 0.000 0.896 108 L HN 0.333 nan 8.230 nan 0.000 0.432 109 M N -1.815 117.704 119.600 -0.135 0.000 2.086 109 M HA -0.275 4.205 4.480 -0.000 0.000 0.261 109 M C 2.128 178.365 176.300 -0.104 0.000 1.067 109 M CA 2.312 57.570 55.300 -0.071 0.000 1.116 109 M CB -0.696 31.901 32.600 -0.005 0.000 1.348 109 M HN 0.498 nan 8.290 nan 0.000 0.407 110 W N 1.734 122.850 121.300 -0.305 0.000 2.355 110 W HA -0.185 4.475 4.660 -0.000 0.000 0.309 110 W C 2.077 178.428 176.519 -0.280 0.000 1.206 110 W CA 1.796 58.985 57.345 -0.260 0.000 1.284 110 W CB -0.217 29.077 29.460 -0.277 0.000 1.145 110 W HN 0.211 nan 8.180 nan 0.000 0.502 111 E N -0.135 119.931 120.200 -0.223 0.000 2.051 111 E HA -0.276 4.074 4.350 -0.000 0.000 0.192 111 E C 2.044 178.019 176.600 -1.041 0.000 0.991 111 E CA 1.543 57.590 56.400 -0.588 0.000 0.799 111 E CB -0.768 28.895 29.700 -0.061 0.000 0.748 111 E HN 0.250 nan 8.360 nan 0.000 0.449 112 L N 0.980 121.950 121.223 -0.421 0.000 2.042 112 L HA -0.100 4.240 4.340 -0.000 0.000 0.210 112 L C 2.225 178.863 176.870 -0.387 0.000 1.076 112 L CA 2.300 56.976 54.840 -0.273 0.000 0.749 112 L CB -0.936 41.083 42.059 -0.067 0.000 0.893 112 L HN 0.109 nan 8.230 nan 0.000 0.432 113 G N -1.135 107.422 108.800 -0.404 0.000 2.440 113 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.218 113 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.218 113 G C 1.415 176.049 174.900 -0.444 0.000 1.154 113 G CA 0.768 45.643 45.100 -0.376 0.000 0.767 113 G HN 0.450 nan 8.290 nan 0.000 0.552 114 E N 0.338 120.126 120.200 -0.687 0.000 2.072 114 E HA -0.094 4.256 4.350 -0.000 0.000 0.191 114 E C 2.300 178.731 176.600 -0.281 0.000 0.985 114 E CA 0.788 56.834 56.400 -0.589 0.000 0.801 114 E CB -0.463 28.722 29.700 -0.858 0.000 0.750 114 E HN 0.559 nan 8.360 nan 0.000 0.452 115 Y N 1.010 121.151 120.300 -0.265 0.000 2.145 115 Y HA -0.103 4.447 4.550 -0.000 0.000 0.286 115 Y C 2.515 178.304 175.900 -0.186 0.000 1.145 115 Y CA 0.470 58.444 58.100 -0.210 0.000 1.148 115 Y CB -1.117 37.211 38.460 -0.220 0.000 0.981 115 Y HN -0.032 nan 8.280 nan 0.000 0.507 116 L N -0.294 120.883 121.223 -0.076 0.000 2.083 116 L HA -0.215 4.125 4.340 -0.000 0.000 0.209 116 L C 2.331 179.143 176.870 -0.097 0.000 1.083 116 L CA 1.482 56.248 54.840 -0.123 0.000 0.752 116 L CB -0.537 41.399 42.059 -0.204 0.000 0.899 116 L HN 0.126 nan 8.230 nan 0.000 0.433 117 K N -0.001 120.323 120.400 -0.126 0.000 2.148 117 K HA -0.103 4.217 4.320 -0.000 0.000 0.204 117 K C 2.208 178.759 176.600 -0.082 0.000 1.050 117 K CA 1.212 57.431 56.287 -0.112 0.000 0.942 117 K CB -0.145 32.269 32.500 -0.144 0.000 0.724 117 K HN 0.279 nan 8.250 nan 0.000 0.446 118 A N 0.753 123.533 122.820 -0.068 0.000 1.898 118 A HA -0.091 4.229 4.320 -0.000 0.000 0.216 118 A C 1.986 179.545 177.584 -0.042 0.000 1.181 118 A CA 1.135 53.144 52.037 -0.047 0.000 0.620 118 A CB -0.465 18.519 19.000 -0.027 0.000 0.819 118 A HN 0.172 nan 8.150 nan 0.000 0.442 119 L N -0.156 121.051 121.223 -0.027 0.000 2.217 119 L HA -0.093 4.247 4.340 -0.000 0.000 0.211 119 L C 2.658 179.508 176.870 -0.034 0.000 1.107 119 L CA 1.627 56.459 54.840 -0.012 0.000 0.783 119 L CB -0.355 41.739 42.059 0.057 0.000 0.919 119 L HN 0.649 nan 8.230 nan 0.000 0.442 120 T N -4.964 109.555 114.554 -0.057 0.000 3.015 120 T HA 0.240 4.590 4.350 -0.000 0.000 0.250 120 T C 1.433 176.068 174.700 -0.108 0.000 1.057 120 T CA 0.465 62.500 62.100 -0.108 0.000 1.066 120 T CB 0.656 69.453 68.868 -0.118 0.000 0.959 120 T HN 0.342 nan 8.240 nan 0.000 0.488 121 G N 1.826 110.582 108.800 -0.074 0.000 2.137 121 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.237 121 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.237 121 G C -0.031 174.838 174.900 -0.052 0.000 1.002 121 G CA 0.132 45.199 45.100 -0.055 0.000 0.702 121 G HN 0.432 nan 8.290 nan 0.000 0.515 122 M N -0.041 119.520 119.600 -0.066 0.000 2.471 122 M HA 0.423 4.903 4.480 -0.000 0.000 0.309 122 M C 0.895 177.160 176.300 -0.059 0.000 1.186 122 M CA -0.536 54.727 55.300 -0.063 0.000 1.008 122 M CB 0.803 33.356 32.600 -0.078 0.000 1.551 122 M HN 0.016 nan 8.290 nan 0.000 0.477 123 D N 0.232 120.600 120.400 -0.053 0.000 2.324 123 D HA 0.279 4.919 4.640 -0.000 0.000 0.212 123 D C 0.074 176.342 176.300 -0.054 0.000 0.984 123 D CA 0.600 54.573 54.000 -0.044 0.000 0.885 123 D CB 0.672 41.457 40.800 -0.026 0.000 0.996 123 D HN 0.574 nan 8.370 nan 0.000 0.505 124 A N 0.416 123.198 122.820 -0.063 0.000 2.498 124 A HA 0.736 5.056 4.320 -0.000 0.000 0.298 124 A C -1.196 176.343 177.584 -0.074 0.000 1.075 124 A CA -0.555 51.443 52.037 -0.065 0.000 0.714 124 A CB 2.130 21.097 19.000 -0.054 0.000 1.299 124 A HN 0.103 nan 8.150 nan 0.000 0.407 125 I N 0.131 120.652 120.570 -0.082 0.000 2.913 125 I HA 0.618 4.788 4.170 -0.000 0.000 0.302 125 I C -0.794 175.280 176.117 -0.072 0.000 1.246 125 I CA -0.180 61.072 61.300 -0.080 0.000 1.010 125 I CB 2.505 40.441 38.000 -0.108 0.000 1.259 125 I HN 0.705 nan 8.210 nan 0.000 0.434 126 T N 6.216 120.738 114.554 -0.054 0.000 2.829 126 T HA 0.547 4.897 4.350 -0.000 0.000 0.280 126 T C 0.089 174.768 174.700 -0.036 0.000 0.999 126 T CA -0.483 61.592 62.100 -0.043 0.000 0.983 126 T CB 1.022 69.873 68.868 -0.028 0.000 0.968 126 T HN 0.525 nan 8.240 nan 0.000 0.446 127 L N 3.783 124.990 121.223 -0.027 0.000 2.818 127 L HA 0.387 4.727 4.340 -0.000 0.000 0.243 127 L C 2.036 178.920 176.870 0.022 0.000 1.185 127 L CA -0.107 54.723 54.840 -0.016 0.000 0.988 127 L CB 0.070 42.112 42.059 -0.028 0.000 1.292 127 L HN 0.730 nan 8.230 nan 0.000 0.519 128 E N 1.807 122.023 120.200 0.026 0.000 2.028 128 E HA -0.012 4.338 4.350 -0.000 0.000 0.190 128 E C -1.361 175.273 176.600 0.057 0.000 0.984 128 E CA 0.026 56.458 56.400 0.052 0.000 0.800 128 E CB -0.412 29.312 29.700 0.040 0.000 0.758 128 E HN 0.188 nan 8.360 nan 0.000 0.448 129 P HA -0.122 nan 4.420 nan 0.000 0.263 129 P C -0.579 176.829 177.300 0.179 0.000 1.175 129 P CA 0.694 63.829 63.100 0.057 0.000 0.761 129 P CB 1.183 32.824 31.700 -0.099 0.000 0.794 130 A N 2.485 125.519 122.820 0.358 0.000 2.238 130 A HA 0.433 4.753 4.320 -0.000 0.000 0.208 130 A C 0.908 178.480 177.584 -0.021 0.000 1.177 130 A CA 1.176 53.263 52.037 0.083 0.000 0.804 130 A CB -0.351 18.628 19.000 -0.035 0.000 0.823 130 A HN 0.812 nan 8.150 nan 0.000 0.482 131 A N -3.530 119.322 122.820 0.052 0.000 2.522 131 A HA 0.524 4.844 4.320 -0.000 0.000 0.291 131 A C 1.007 178.627 177.584 0.060 0.000 1.039 131 A CA 0.082 52.124 52.037 0.007 0.000 0.643 131 A CB -0.662 18.298 19.000 -0.065 0.000 1.310 131 A HN 0.855 nan 8.150 nan 0.000 0.436 132 G N 0.230 109.091 108.800 0.103 0.000 2.514 132 G HA2 0.076 4.036 3.960 -0.000 0.000 0.217 132 G HA3 0.076 4.036 3.960 -0.000 0.000 0.217 132 G C 1.660 176.354 174.900 -0.345 0.000 1.198 132 G CA 2.235 47.240 45.100 -0.159 0.000 0.780 132 G HN 1.993 nan 8.290 nan 0.000 0.565 133 A N -0.441 122.319 122.820 -0.100 0.000 1.978 133 A HA -0.141 4.179 4.320 -0.000 0.000 0.220 133 A C 2.087 179.676 177.584 0.008 0.000 1.170 133 A CA 1.970 53.982 52.037 -0.043 0.000 0.636 133 A CB -0.781 18.236 19.000 0.029 0.000 0.810 133 A HN 0.652 nan 8.150 nan 0.000 0.448 134 H N -1.115 117.898 119.070 -0.095 0.000 2.395 134 H HA -0.069 4.487 4.556 -0.000 0.000 0.299 134 H C 2.313 177.603 175.328 -0.062 0.000 1.070 134 H CA 0.746 56.757 56.048 -0.063 0.000 1.356 134 H CB -0.016 29.717 29.762 -0.049 0.000 1.401 134 H HN 0.511 nan 8.280 nan 0.000 0.524 135 G N 0.263 109.013 108.800 -0.083 0.000 2.408 135 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.217 135 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.217 135 G C 1.466 176.362 174.900 -0.007 0.000 1.150 135 G CA 0.550 45.598 45.100 -0.087 0.000 0.776 135 G HN 0.469 nan 8.290 nan 0.000 0.542 136 E N -0.349 119.793 120.200 -0.096 0.000 2.031 136 E HA -0.124 4.226 4.350 -0.000 0.000 0.193 136 E C 2.377 178.931 176.600 -0.077 0.000 0.994 136 E CA 0.891 57.248 56.400 -0.071 0.000 0.800 136 E CB -0.215 29.413 29.700 -0.120 0.000 0.752 136 E HN 0.321 nan 8.360 nan 0.000 0.447 137 L N 1.144 122.343 121.223 -0.039 0.000 2.012 137 L HA -0.180 4.160 4.340 -0.000 0.000 0.210 137 L C 2.204 179.065 176.870 -0.015 0.000 1.073 137 L CA 2.003 56.835 54.840 -0.013 0.000 0.748 137 L CB -0.861 41.215 42.059 0.029 0.000 0.891 137 L HN 0.062 nan 8.230 nan 0.000 0.431 138 T N -0.534 113.990 114.554 -0.051 0.000 2.684 138 T HA -0.124 4.226 4.350 -0.000 0.000 0.267 138 T C 1.700 176.437 174.700 0.061 0.000 1.036 138 T CA 1.369 63.449 62.100 -0.035 0.000 1.148 138 T CB -0.987 67.826 68.868 -0.091 0.000 0.863 138 T HN 0.592 nan 8.240 nan 0.000 0.436 139 G N 1.690 110.576 108.800 0.144 0.000 2.421 139 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.216 139 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.216 139 G C 1.440 176.460 174.900 0.200 0.000 1.171 139 G CA 0.397 45.666 45.100 0.281 0.000 0.775 139 G HN 0.374 nan 8.290 nan 0.000 0.543 140 I N 0.379 120.999 120.570 0.083 0.000 2.394 140 I HA -0.025 4.145 4.170 -0.000 0.000 0.251 140 I C 2.583 178.800 176.117 0.167 0.000 1.136 140 I CA 0.579 61.944 61.300 0.107 0.000 1.425 140 I CB -0.866 37.169 38.000 0.057 0.000 1.079 140 I HN 0.065 nan 8.210 nan 0.000 0.425 141 L N 0.409 121.690 121.223 0.097 0.000 2.141 141 L HA -0.081 4.259 4.340 -0.000 0.000 0.209 141 L C 2.403 179.318 176.870 0.075 0.000 1.094 141 L CA 1.514 56.394 54.840 0.066 0.000 0.763 141 L CB -0.637 41.442 42.059 0.033 0.000 0.908 141 L HN 0.117 nan 8.230 nan 0.000 0.437 142 I N -1.240 119.385 120.570 0.091 0.000 2.202 142 I HA -0.318 3.852 4.170 -0.000 0.000 0.242 142 I C 2.344 178.472 176.117 0.018 0.000 1.091 142 I CA 1.207 62.563 61.300 0.093 0.000 1.368 142 I CB -0.135 37.938 38.000 0.122 0.000 1.058 142 I HN 0.153 nan 8.210 nan 0.000 0.410 143 I N 0.445 121.054 120.570 0.065 0.000 2.208 143 I HA -0.334 3.836 4.170 -0.000 0.000 0.245 143 I C 2.790 178.964 176.117 0.095 0.000 1.097 143 I CA 1.330 62.653 61.300 0.039 0.000 1.363 143 I CB -0.408 37.670 38.000 0.130 0.000 1.051 143 I HN 0.234 nan 8.210 nan 0.000 0.413 144 R N 1.298 121.927 120.500 0.215 0.000 2.081 144 R HA -0.174 4.166 4.340 -0.000 0.000 0.235 144 R C 2.339 178.673 176.300 0.058 0.000 1.131 144 R CA 1.617 57.873 56.100 0.259 0.000 0.960 144 R CB -0.252 30.123 30.300 0.126 0.000 0.856 144 R HN 0.334 nan 8.270 nan 0.000 0.436 145 A N 0.024 122.804 122.820 -0.067 0.000 1.972 145 A HA -0.205 4.115 4.320 -0.000 0.000 0.219 145 A C 1.959 179.236 177.584 -0.512 0.000 1.169 145 A CA 1.217 53.137 52.037 -0.196 0.000 0.635 145 A CB -0.754 18.175 19.000 -0.119 0.000 0.810 145 A HN 0.657 nan 8.150 nan 0.000 0.446 146 Y N 0.085 119.897 120.300 -0.813 0.000 2.163 146 Y HA -0.224 4.326 4.550 -0.000 0.000 0.288 146 Y C 2.492 178.175 175.900 -0.362 0.000 1.136 146 Y CA 2.150 59.739 58.100 -0.852 0.000 1.147 146 Y CB -0.398 37.693 38.460 -0.614 0.000 0.987 146 Y HN 0.465 nan 8.280 nan 0.000 0.509 147 H N 0.475 119.461 119.070 -0.141 0.000 2.357 147 H HA -0.104 4.452 4.556 -0.000 0.000 0.301 147 H C 1.995 177.238 175.328 -0.141 0.000 1.082 147 H CA 1.850 57.804 56.048 -0.157 0.000 1.342 147 H CB -0.259 29.525 29.762 0.037 0.000 1.389 147 H HN 0.583 nan 8.280 nan 0.000 0.511 148 E N 0.294 120.510 120.200 0.027 0.000 2.110 148 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 148 E C 1.719 178.303 176.600 -0.025 0.000 0.988 148 E CA 1.092 57.496 56.400 0.006 0.000 0.804 148 E CB -0.014 29.691 29.700 0.008 0.000 0.745 148 E HN 0.338 nan 8.360 nan 0.000 0.458 149 D N 0.462 120.820 120.400 -0.070 0.000 2.264 149 D HA -0.102 4.538 4.640 -0.000 0.000 0.208 149 D C 1.456 177.728 176.300 -0.046 0.000 0.966 149 D CA 0.736 54.729 54.000 -0.012 0.000 0.864 149 D CB 0.198 41.047 40.800 0.081 0.000 0.933 149 D HN -0.017 nan 8.370 nan 0.000 0.499 150 R N -1.061 119.360 120.500 -0.131 0.000 2.317 150 R HA 0.248 4.588 4.340 -0.000 0.000 0.208 150 R C 1.353 177.623 176.300 -0.051 0.000 0.914 150 R CA 0.629 56.653 56.100 -0.125 0.000 1.060 150 R CB 0.494 30.642 30.300 -0.255 0.000 1.015 150 R HN 0.197 nan 8.270 nan 0.000 0.498 151 G N 1.839 110.623 108.800 -0.026 0.000 2.159 151 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.256 151 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.256 151 G C 0.314 175.216 174.900 0.004 0.000 0.977 151 G CA 0.239 45.337 45.100 -0.005 0.000 0.652 151 G HN 0.471 nan 8.290 nan 0.000 0.531 152 E N 0.058 120.264 120.200 0.010 0.000 2.585 152 E HA 0.359 4.709 4.350 -0.000 0.000 0.206 152 E C 2.074 178.690 176.600 0.027 0.000 1.007 152 E CA 0.121 56.529 56.400 0.013 0.000 1.028 152 E CB 0.326 30.028 29.700 0.003 0.000 1.087 152 E HN 0.382 nan 8.360 nan 0.000 0.455 153 G N 1.461 110.286 108.800 0.041 0.000 2.448 153 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.219 153 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.219 153 G C 1.645 176.572 174.900 0.046 0.000 1.127 153 G CA 0.316 45.451 45.100 0.057 0.000 0.766 153 G HN 0.132 nan 8.290 nan 0.000 0.552 154 R N -0.275 120.243 120.500 0.030 0.000 2.140 154 R HA 0.017 4.357 4.340 -0.000 0.000 0.213 154 R C 2.903 179.223 176.300 0.034 0.000 1.059 154 R CA 1.462 57.580 56.100 0.028 0.000 1.000 154 R CB -0.211 30.100 30.300 0.019 0.000 0.910 154 R HN 0.510 nan 8.270 nan 0.000 0.455 155 T N -0.747 113.821 114.554 0.024 0.000 2.894 155 T HA 0.075 4.425 4.350 -0.000 0.000 0.258 155 T C 1.135 175.848 174.700 0.022 0.000 1.043 155 T CA 0.169 62.285 62.100 0.026 0.000 1.141 155 T CB 0.015 68.893 68.868 0.016 0.000 0.873 155 T HN -0.089 nan 8.240 nan 0.000 0.449 156 R N 2.464 122.942 120.500 -0.036 0.000 2.387 156 R HA 0.275 4.615 4.340 -0.000 0.000 0.321 156 R C 0.637 176.978 176.300 0.069 0.000 1.174 156 R CA 0.049 56.076 56.100 -0.121 0.000 1.002 156 R CB 0.017 30.065 30.300 -0.420 0.000 1.028 156 R HN 0.471 nan 8.270 nan 0.000 0.482 157 R N 0.504 121.049 120.500 0.075 0.000 2.487 157 R HA 0.137 4.477 4.340 -0.000 0.000 0.272 157 R C 0.394 176.791 176.300 0.162 0.000 0.928 157 R CA -0.003 56.224 56.100 0.212 0.000 1.077 157 R CB 1.066 31.456 30.300 0.150 0.000 1.265 157 R HN 0.259 nan 8.270 nan 0.000 0.537 158 V N 0.688 120.567 119.914 -0.058 0.000 2.735 158 V HA 0.518 4.638 4.120 -0.000 0.000 0.310 158 V C -0.913 175.024 176.094 -0.261 0.000 1.061 158 V CA -0.736 61.505 62.300 -0.098 0.000 0.913 158 V CB 2.428 34.251 31.823 -0.001 0.000 1.005 158 V HN -0.205 nan 8.190 nan 0.000 0.428 159 V N 7.366 127.155 119.914 -0.207 0.000 2.435 159 V HA 0.498 4.618 4.120 -0.000 0.000 0.290 159 V C -0.018 176.026 176.094 -0.082 0.000 1.030 159 V CA -0.524 61.661 62.300 -0.192 0.000 0.881 159 V CB 1.495 33.224 31.823 -0.156 0.000 0.983 159 V HN 0.793 nan 8.190 nan 0.000 0.445 160 L N 5.923 127.107 121.223 -0.065 0.000 2.307 160 L HA 0.777 5.117 4.340 -0.000 0.000 0.282 160 L C -0.359 176.512 176.870 0.001 0.000 1.051 160 L CA -0.703 54.121 54.840 -0.027 0.000 0.804 160 L CB 1.744 43.784 42.059 -0.031 0.000 1.197 160 L HN 0.596 nan 8.230 nan 0.000 0.431 161 V N 1.199 121.121 119.914 0.013 0.000 2.841 161 V HA 0.672 4.792 4.120 -0.000 0.000 0.310 161 V C -2.650 173.460 176.094 0.026 0.000 1.090 161 V CA -2.077 60.242 62.300 0.031 0.000 0.930 161 V CB 1.908 33.754 31.823 0.038 0.000 1.014 161 V HN 0.507 nan 8.190 nan 0.000 0.425 162 P HA 0.210 nan 4.420 nan 0.000 0.272 162 P C -0.153 177.150 177.300 0.004 0.000 1.240 162 P CA 0.221 63.326 63.100 0.009 0.000 0.791 162 P CB 0.838 32.539 31.700 0.002 0.000 0.978 163 D N -0.626 119.766 120.400 -0.015 0.000 2.310 163 D HA -0.137 4.503 4.640 -0.000 0.000 0.212 163 D C 1.258 177.527 176.300 -0.052 0.000 0.965 163 D CA 1.196 55.184 54.000 -0.022 0.000 0.879 163 D CB -0.963 39.823 40.800 -0.024 0.000 0.921 163 D HN 0.326 nan 8.370 nan 0.000 0.510 164 S N -0.997 114.663 115.700 -0.067 0.000 2.605 164 S HA 0.468 4.938 4.470 -0.000 0.000 0.217 164 S C 0.995 175.579 174.600 -0.027 0.000 0.958 164 S CA -0.357 57.770 58.200 -0.122 0.000 0.919 164 S CB -0.283 62.839 63.200 -0.131 0.000 0.780 164 S HN 0.451 nan 8.310 nan 0.000 0.507 165 A N 2.562 125.418 122.820 0.060 0.000 2.445 165 A HA 0.254 4.574 4.320 -0.000 0.000 0.242 165 A C 0.415 178.215 177.584 0.360 0.000 1.075 165 A CA -0.321 51.822 52.037 0.177 0.000 0.777 165 A CB -0.159 18.916 19.000 0.124 0.000 1.013 165 A HN 0.634 nan 8.150 nan 0.000 0.493 166 H N 1.293 120.567 119.070 0.339 0.000 2.815 166 H HA 0.102 4.657 4.556 -0.000 0.000 0.350 166 H C 1.549 176.981 175.328 0.173 0.000 1.080 166 H CA 0.841 57.075 56.048 0.310 0.000 1.433 166 H CB 1.018 30.829 29.762 0.082 0.000 1.432 166 H HN 0.692 nan 8.280 nan 0.000 0.592 167 G N 2.491 111.005 108.800 -0.478 0.000 2.485 167 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.221 167 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.221 167 G C 1.687 176.512 174.900 -0.124 0.000 1.115 167 G CA 1.027 45.971 45.100 -0.261 0.000 0.751 167 G HN 0.678 nan 8.290 nan 0.000 0.567 168 S N 0.361 116.051 115.700 -0.018 0.000 2.423 168 S HA -0.090 4.380 4.470 -0.000 0.000 0.231 168 S C 1.854 176.527 174.600 0.120 0.000 1.014 168 S CA 1.212 59.510 58.200 0.164 0.000 0.965 168 S CB -0.506 62.895 63.200 0.334 0.000 0.785 168 S HN 0.634 nan 8.310 nan 0.000 0.495 169 N N 3.011 121.795 118.700 0.141 0.000 2.028 169 N HA -0.045 4.695 4.740 -0.000 0.000 0.194 169 N C -0.917 174.616 175.510 0.038 0.000 1.050 169 N CA 1.546 54.641 53.050 0.074 0.000 0.848 169 N CB -0.932 37.612 38.487 0.096 0.000 1.038 169 N HN 0.430 nan 8.380 nan 0.000 0.423 170 P HA -0.135 nan 4.420 nan 0.000 0.216 170 P C 0.933 178.252 177.300 0.032 0.000 1.150 170 P CA 1.468 64.588 63.100 0.034 0.000 0.837 170 P CB 0.013 31.732 31.700 0.032 0.000 0.786 171 A N -0.028 122.809 122.820 0.028 0.000 1.902 171 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 171 A C 2.400 180.001 177.584 0.029 0.000 1.181 171 A CA 2.461 54.513 52.037 0.025 0.000 0.623 171 A CB -1.940 17.072 19.000 0.021 0.000 0.818 171 A HN 0.183 nan 8.150 nan 0.000 0.443 172 T N 0.368 114.939 114.554 0.028 0.000 2.720 172 T HA -0.068 4.282 4.350 -0.000 0.000 0.268 172 T C 2.207 176.929 174.700 0.038 0.000 1.037 172 T CA 1.642 63.753 62.100 0.019 0.000 1.144 172 T CB -0.492 68.365 68.868 -0.017 0.000 0.864 172 T HN 0.622 nan 8.240 nan 0.000 0.444 173 A N 1.260 124.111 122.820 0.052 0.000 1.940 173 A HA -0.139 4.181 4.320 -0.000 0.000 0.219 173 A C 2.607 180.258 177.584 0.112 0.000 1.176 173 A CA 2.123 54.231 52.037 0.118 0.000 0.631 173 A CB -0.852 18.206 19.000 0.098 0.000 0.814 173 A HN 0.460 nan 8.150 nan 0.000 0.446 174 S N -0.565 115.174 115.700 0.065 0.000 2.368 174 S HA -0.099 4.371 4.470 -0.000 0.000 0.224 174 S C 1.948 176.560 174.600 0.022 0.000 1.029 174 S CA 1.635 59.861 58.200 0.043 0.000 0.988 174 S CB -0.378 62.841 63.200 0.032 0.000 0.838 174 S HN 0.585 nan 8.310 nan 0.000 0.462 175 M N 0.903 120.515 119.600 0.021 0.000 2.358 175 M HA -0.042 4.438 4.480 -0.000 0.000 0.264 175 M C 1.783 178.077 176.300 -0.008 0.000 1.064 175 M CA 1.017 56.323 55.300 0.009 0.000 1.093 175 M CB -0.318 32.293 32.600 0.019 0.000 1.401 175 M HN 0.330 nan 8.290 nan 0.000 0.440 176 A N -0.628 122.185 122.820 -0.011 0.000 2.345 176 A HA 0.479 4.799 4.320 -0.000 0.000 0.225 176 A C 1.568 179.029 177.584 -0.206 0.000 1.243 176 A CA 0.533 52.525 52.037 -0.074 0.000 0.875 176 A CB -0.486 18.509 19.000 -0.009 0.000 0.929 176 A HN 0.601 nan 8.150 nan 0.000 0.502 177 G N -1.895 106.834 108.800 -0.120 0.000 2.179 177 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.260 177 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.260 177 G C -0.004 174.827 174.900 -0.115 0.000 0.977 177 G CA 0.580 45.596 45.100 -0.141 0.000 0.641 177 G HN 0.408 nan 8.290 nan 0.000 0.533 178 Y N 0.909 121.215 120.300 0.011 0.000 2.354 178 Y HA 0.584 5.134 4.550 -0.000 0.000 0.322 178 Y C 1.162 177.069 175.900 0.011 0.000 1.253 178 Y CA -0.653 57.453 58.100 0.011 0.000 1.272 178 Y CB 0.692 39.159 38.460 0.011 0.000 1.255 178 Y HN 0.296 nan 8.280 nan 0.000 0.500 179 Q N 0.690 120.622 119.800 0.220 0.000 2.227 179 Q HA 0.561 4.901 4.340 -0.000 0.000 0.245 179 Q C -1.205 174.846 176.000 0.085 0.000 0.926 179 Q CA -0.931 54.941 55.803 0.115 0.000 0.895 179 Q CB 2.266 31.058 28.738 0.091 0.000 1.230 179 Q HN 0.476 nan 8.270 nan 0.000 0.450 180 V N 1.568 121.516 119.914 0.058 0.000 2.604 180 V HA 0.637 4.757 4.120 -0.000 0.000 0.305 180 V C -1.382 174.729 176.094 0.028 0.000 1.043 180 V CA -0.622 61.699 62.300 0.035 0.000 0.888 180 V CB 1.775 33.620 31.823 0.036 0.000 0.995 180 V HN 0.759 nan 8.190 nan 0.000 0.429 181 R N 4.491 125.002 120.500 0.018 0.000 2.532 181 R HA 0.529 4.868 4.340 -0.000 0.000 0.297 181 R C -0.733 175.576 176.300 0.015 0.000 0.984 181 R CA -0.449 55.664 56.100 0.021 0.000 0.884 181 R CB 1.717 32.033 30.300 0.027 0.000 1.182 181 R HN 0.835 nan 8.270 nan 0.000 0.442 182 E N 5.457 125.667 120.200 0.017 0.000 2.249 182 E HA 0.247 4.597 4.350 -0.000 0.000 0.280 182 E C -0.128 176.478 176.600 0.011 0.000 1.016 182 E CA -0.641 55.768 56.400 0.014 0.000 0.830 182 E CB 1.635 31.343 29.700 0.015 0.000 1.081 182 E HN 0.529 nan 8.360 nan 0.000 0.395 183 I N -0.163 120.411 120.570 0.007 0.000 2.377 183 I HA 0.480 4.650 4.170 -0.000 0.000 0.293 183 I C -2.413 173.704 176.117 -0.001 0.000 0.987 183 I CA -2.806 58.496 61.300 0.005 0.000 1.185 183 I CB 1.501 39.502 38.000 0.002 0.000 1.341 183 I HN 0.215 nan 8.210 nan 0.000 0.455 184 P HA 0.125 nan 4.420 nan 0.000 0.272 184 P C -0.439 176.853 177.300 -0.013 0.000 1.223 184 P CA -0.100 62.999 63.100 -0.002 0.000 0.784 184 P CB 1.071 32.776 31.700 0.009 0.000 0.923 185 S N 0.216 115.899 115.700 -0.027 0.000 2.646 185 S HA 0.538 5.008 4.470 -0.000 0.000 0.276 185 S C 0.893 175.478 174.600 -0.025 0.000 1.222 185 S CA -0.373 57.794 58.200 -0.056 0.000 1.014 185 S CB 0.894 64.013 63.200 -0.136 0.000 0.991 185 S HN 0.674 nan 8.310 nan 0.000 0.533 186 G N 1.535 110.319 108.800 -0.026 0.000 2.611 186 G HA2 0.290 4.250 3.960 -0.000 0.000 0.273 186 G HA3 0.290 4.250 3.960 -0.000 0.000 0.273 186 G C -1.447 173.491 174.900 0.063 0.000 1.305 186 G CA -0.978 44.132 45.100 0.015 0.000 1.010 186 G HN 0.502 nan 8.290 nan 0.000 0.509 187 P HA -0.019 nan 4.420 nan 0.000 0.223 187 P C 0.889 178.345 177.300 0.261 0.000 1.151 187 P CA 0.910 64.114 63.100 0.173 0.000 0.787 187 P CB 0.413 32.174 31.700 0.102 0.000 0.788 188 E N -0.786 119.511 120.200 0.163 0.000 2.489 188 E HA 0.119 4.469 4.350 -0.000 0.000 0.193 188 E C 1.408 178.072 176.600 0.107 0.000 1.057 188 E CA 0.701 57.206 56.400 0.175 0.000 0.866 188 E CB -0.276 29.480 29.700 0.093 0.000 0.916 188 E HN 0.332 nan 8.360 nan 0.000 0.500 189 G N 1.811 110.525 108.800 -0.143 0.000 2.157 189 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.239 189 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.239 189 G C 0.165 174.891 174.900 -0.290 0.000 0.982 189 G CA 0.294 45.020 45.100 -0.622 0.000 0.650 189 G HN 0.309 nan 8.290 nan 0.000 0.527 190 E N -0.970 119.150 120.200 -0.133 0.000 2.285 190 E HA 0.603 4.953 4.350 -0.000 0.000 0.254 190 E C 0.417 176.977 176.600 -0.067 0.000 1.011 190 E CA -0.965 55.386 56.400 -0.081 0.000 0.873 190 E CB 1.728 31.410 29.700 -0.030 0.000 1.229 190 E HN 0.063 nan 8.360 nan 0.000 0.422 191 V N 1.914 121.799 119.914 -0.048 0.000 2.673 191 V HA -0.073 4.047 4.120 -0.000 0.000 0.303 191 V C 0.075 176.157 176.094 -0.020 0.000 1.046 191 V CA 0.369 62.649 62.300 -0.034 0.000 1.126 191 V CB 0.616 32.423 31.823 -0.027 0.000 0.934 191 V HN 0.570 nan 8.190 nan 0.000 0.487 192 D N 4.356 124.747 120.400 -0.015 0.000 2.365 192 D HA 0.137 4.777 4.640 -0.000 0.000 0.237 192 D C 0.717 177.016 176.300 -0.003 0.000 1.190 192 D CA -0.302 53.696 54.000 -0.004 0.000 0.867 192 D CB 1.292 42.093 40.800 0.001 0.000 1.050 192 D HN 0.296 nan 8.370 nan 0.000 0.491 193 L N 3.873 125.095 121.223 -0.001 0.000 2.012 193 L HA -0.166 4.173 4.340 -0.000 0.000 0.210 193 L C 2.337 179.208 176.870 0.001 0.000 1.073 193 L CA 1.371 56.210 54.840 -0.002 0.000 0.748 193 L CB -0.500 41.559 42.059 0.000 0.000 0.891 193 L HN 0.418 nan 8.230 nan 0.000 0.431 194 E N -0.238 119.966 120.200 0.005 0.000 2.058 194 E HA -0.225 4.125 4.350 -0.000 0.000 0.194 194 E C 2.349 178.954 176.600 0.008 0.000 0.997 194 E CA 1.507 57.911 56.400 0.008 0.000 0.801 194 E CB -0.547 29.159 29.700 0.010 0.000 0.746 194 E HN 0.483 nan 8.360 nan 0.000 0.450 195 A N 1.184 124.009 122.820 0.008 0.000 1.933 195 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 195 A C 2.252 179.840 177.584 0.007 0.000 1.175 195 A CA 1.390 53.432 52.037 0.009 0.000 0.628 195 A CB -0.578 18.427 19.000 0.008 0.000 0.814 195 A HN 0.250 nan 8.150 nan 0.000 0.444 196 L N -0.086 121.138 121.223 0.002 0.000 2.046 196 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 196 L C 2.124 178.993 176.870 -0.002 0.000 1.077 196 L CA 2.237 57.075 54.840 -0.004 0.000 0.747 196 L CB -0.556 41.497 42.059 -0.010 0.000 0.896 196 L HN 0.355 nan 8.230 nan 0.000 0.432 197 K N -0.806 119.595 120.400 0.001 0.000 2.147 197 K HA -0.141 4.179 4.320 -0.000 0.000 0.205 197 K C 2.170 178.780 176.600 0.016 0.000 1.049 197 K CA 1.383 57.673 56.287 0.005 0.000 0.936 197 K CB -0.164 32.339 32.500 0.006 0.000 0.722 197 K HN 0.272 nan 8.250 nan 0.000 0.446 198 R N 0.642 121.154 120.500 0.020 0.000 2.148 198 R HA -0.063 4.277 4.340 -0.000 0.000 0.227 198 R C 1.859 178.190 176.300 0.052 0.000 1.103 198 R CA 0.947 57.066 56.100 0.031 0.000 0.983 198 R CB 0.141 30.456 30.300 0.025 0.000 0.874 198 R HN 0.143 nan 8.270 nan 0.000 0.451 199 E N 0.238 120.463 120.200 0.041 0.000 2.216 199 E HA 0.047 4.397 4.350 -0.000 0.000 0.192 199 E C 0.323 176.928 176.600 0.008 0.000 0.973 199 E CA 0.183 56.615 56.400 0.055 0.000 0.851 199 E CB 0.165 29.877 29.700 0.020 0.000 0.804 199 E HN 0.261 nan 8.360 nan 0.000 0.477 200 L N 1.150 122.359 121.223 -0.023 0.000 2.499 200 L HA 0.204 4.544 4.340 -0.000 0.000 0.273 200 L C 0.826 177.668 176.870 -0.045 0.000 1.195 200 L CA 0.323 55.119 54.840 -0.073 0.000 0.882 200 L CB 0.318 42.352 42.059 -0.041 0.000 1.133 200 L HN 0.056 nan 8.230 nan 0.000 0.483 201 G N 3.127 111.828 108.800 -0.165 0.000 2.441 201 G HA2 0.268 4.228 3.960 -0.000 0.000 0.294 201 G HA3 0.268 4.228 3.960 -0.000 0.000 0.294 201 G C -2.630 172.206 174.900 -0.107 0.000 1.393 201 G CA -0.440 44.645 45.100 -0.026 0.000 0.796 201 G HN 0.329 nan 8.290 nan 0.000 0.494 202 P HA -0.092 nan 4.420 nan 0.000 0.231 202 P C 0.862 178.166 177.300 0.007 0.000 1.158 202 P CA 1.215 64.329 63.100 0.024 0.000 0.763 202 P CB -0.134 31.602 31.700 0.060 0.000 0.805 203 H N -1.585 117.454 119.070 -0.052 0.000 2.563 203 H HA 0.179 4.734 4.556 -0.000 0.000 0.264 203 H C 0.260 175.536 175.328 -0.086 0.000 0.957 203 H CA -0.115 55.900 56.048 -0.057 0.000 1.173 203 H CB -0.784 28.959 29.762 -0.031 0.000 1.420 203 H HN -0.100 nan 8.280 nan 0.000 0.551 204 V N 1.946 121.551 119.914 -0.516 0.000 2.432 204 V HA 0.358 4.478 4.120 -0.000 0.000 0.275 204 V C 1.239 177.150 176.094 -0.306 0.000 1.043 204 V CA 0.294 62.358 62.300 -0.392 0.000 0.925 204 V CB 1.166 32.754 31.823 -0.390 0.000 0.985 204 V HN 0.530 nan 8.190 nan 0.000 0.466 205 A N 4.085 126.700 122.820 -0.342 0.000 1.943 205 A HA 0.729 5.049 4.320 -0.000 0.000 0.213 205 A C 0.993 178.555 177.584 -0.037 0.000 1.181 205 A CA 1.011 52.853 52.037 -0.326 0.000 0.653 205 A CB 0.118 18.792 19.000 -0.545 0.000 0.833 205 A HN 1.294 nan 8.150 nan 0.000 0.451 206 A N -1.913 120.828 122.820 -0.133 0.000 2.586 206 A HA 0.580 4.900 4.320 -0.000 0.000 0.291 206 A C -1.941 175.626 177.584 -0.029 0.000 1.062 206 A CA -0.411 51.615 52.037 -0.018 0.000 0.666 206 A CB 0.443 19.461 19.000 0.031 0.000 1.281 206 A HN 1.013 nan 8.150 nan 0.000 0.421 207 L N 0.942 122.192 121.223 0.045 0.000 2.376 207 L HA 0.785 5.125 4.340 -0.000 0.000 0.275 207 L C -0.847 176.121 176.870 0.163 0.000 0.987 207 L CA -0.279 54.596 54.840 0.058 0.000 0.828 207 L CB 1.165 43.243 42.059 0.031 0.000 1.249 207 L HN 0.727 nan 8.230 nan 0.000 0.409 208 M N 6.509 126.201 119.600 0.153 0.000 2.157 208 M HA 0.555 5.035 4.480 -0.000 0.000 0.354 208 M C -1.098 175.336 176.300 0.224 0.000 1.170 208 M CA -0.149 55.302 55.300 0.252 0.000 1.060 208 M CB 1.262 33.934 32.600 0.120 0.000 1.615 208 M HN 0.483 nan 8.290 nan 0.000 0.460 209 L N 1.830 123.226 121.223 0.289 0.000 2.424 209 L HA 0.678 5.018 4.340 -0.000 0.000 0.258 209 L C -0.172 176.677 176.870 -0.035 0.000 0.995 209 L CA -0.883 54.066 54.840 0.180 0.000 0.821 209 L CB 2.788 45.025 42.059 0.298 0.000 1.383 209 L HN 0.670 nan 8.230 nan 0.000 0.410 210 T N -1.432 113.061 114.554 -0.101 0.000 2.895 210 T HA 0.616 4.966 4.350 -0.000 0.000 0.283 210 T C -0.618 173.982 174.700 -0.166 0.000 1.014 210 T CA -0.757 61.158 62.100 -0.308 0.000 1.037 210 T CB 1.985 70.757 68.868 -0.160 0.000 1.006 210 T HN 0.453 nan 8.240 nan 0.000 0.468 211 N N 2.295 120.892 118.700 -0.172 0.000 2.572 211 N HA 0.419 5.159 4.740 -0.000 0.000 0.287 211 N C -3.158 172.416 175.510 0.107 0.000 1.136 211 N CA -1.468 51.580 53.050 -0.002 0.000 0.900 211 N CB 1.767 40.305 38.487 0.085 0.000 1.484 211 N HN 0.298 nan 8.380 nan 0.000 0.526 212 P HA 0.060 nan 4.420 nan 0.000 0.270 212 P C -0.373 176.957 177.300 0.049 0.000 1.221 212 P CA -0.067 63.092 63.100 0.099 0.000 0.788 212 P CB 0.523 32.366 31.700 0.237 0.000 0.904 213 N N -1.094 117.624 118.700 0.031 0.000 2.361 213 N HA 0.077 4.817 4.740 -0.000 0.000 0.270 213 N C 0.787 176.333 175.510 0.060 0.000 1.270 213 N CA -0.263 52.797 53.050 0.017 0.000 0.962 213 N CB -1.246 37.227 38.487 -0.023 0.000 1.190 213 N HN 0.378 nan 8.380 nan 0.000 0.562 214 T N -3.099 111.487 114.554 0.053 0.000 3.155 214 T HA 0.007 4.357 4.350 -0.000 0.000 0.264 214 T C 1.165 175.884 174.700 0.032 0.000 1.160 214 T CA 0.656 62.809 62.100 0.088 0.000 1.075 214 T CB -0.606 68.350 68.868 0.146 0.000 0.921 214 T HN 0.440 nan 8.240 nan 0.000 0.533 215 L N 0.129 121.354 121.223 0.004 0.000 2.607 215 L HA 0.403 4.743 4.340 -0.000 0.000 0.228 215 L C 1.972 178.875 176.870 0.055 0.000 1.123 215 L CA 0.298 55.145 54.840 0.013 0.000 0.890 215 L CB -0.198 41.835 42.059 -0.044 0.000 1.103 215 L HN 0.544 nan 8.230 nan 0.000 0.468 216 G N 0.759 109.595 108.800 0.060 0.000 2.143 216 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.249 216 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.249 216 G C 0.079 175.065 174.900 0.144 0.000 0.981 216 G CA -0.118 45.037 45.100 0.090 0.000 0.665 216 G HN 0.223 nan 8.290 nan 0.000 0.528 217 L N 0.021 121.312 121.223 0.112 0.000 2.309 217 L HA 0.652 4.992 4.340 -0.000 0.000 0.282 217 L C 0.597 177.550 176.870 0.137 0.000 1.036 217 L CA -1.275 53.640 54.840 0.125 0.000 0.806 217 L CB 1.201 43.304 42.059 0.074 0.000 1.220 217 L HN 0.119 nan 8.230 nan 0.000 0.429 218 F N 2.934 122.924 119.950 0.067 0.000 2.495 218 F HA 0.092 4.619 4.527 0.000 0.000 0.365 218 F C 0.849 176.689 175.800 0.065 0.000 1.090 218 F CA -0.274 57.770 58.000 0.073 0.000 1.235 218 F CB 0.613 39.649 39.000 0.060 0.000 1.119 218 F HN 0.412 nan 8.300 nan 0.000 0.562 219 E N 7.100 126.931 120.200 -0.615 0.000 1.944 219 E HA 0.026 4.376 4.350 -0.000 0.000 0.272 219 E C 1.018 177.495 176.600 -0.206 0.000 1.195 219 E CA 0.157 56.362 56.400 -0.324 0.000 0.926 219 E CB 0.311 29.839 29.700 -0.287 0.000 1.051 219 E HN 0.779 nan 8.360 nan 0.000 0.404 220 R N 1.431 122.017 120.500 0.143 0.000 2.152 220 R HA -0.071 4.269 4.340 -0.000 0.000 0.232 220 R C 0.966 177.369 176.300 0.171 0.000 1.117 220 R CA 0.846 57.122 56.100 0.292 0.000 0.981 220 R CB 0.233 30.662 30.300 0.214 0.000 0.870 220 R HN 0.050 nan 8.270 nan 0.000 0.451 221 R N 0.467 121.010 120.500 0.072 0.000 2.515 221 R HA 0.076 4.416 4.340 -0.000 0.000 0.294 221 R C 1.308 177.614 176.300 0.009 0.000 1.021 221 R CA -0.137 55.989 56.100 0.043 0.000 1.081 221 R CB -0.343 29.970 30.300 0.022 0.000 1.263 221 R HN 0.151 nan 8.270 nan 0.000 0.557 222 I N 0.920 121.490 120.570 0.000 0.000 2.248 222 I HA -0.272 3.898 4.170 -0.000 0.000 0.248 222 I C 1.682 177.770 176.117 -0.049 0.000 1.107 222 I CA 1.579 62.850 61.300 -0.048 0.000 1.373 222 I CB -0.007 37.963 38.000 -0.051 0.000 1.055 222 I HN 0.150 nan 8.210 nan 0.000 0.418 223 L N -0.240 120.988 121.223 0.009 0.000 2.046 223 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 223 L C 2.555 179.410 176.870 -0.025 0.000 1.077 223 L CA 1.257 56.094 54.840 -0.005 0.000 0.747 223 L CB -0.873 41.204 42.059 0.030 0.000 0.896 223 L HN 0.256 nan 8.230 nan 0.000 0.432 224 E N 0.627 120.819 120.200 -0.013 0.000 2.051 224 E HA -0.178 4.172 4.350 -0.000 0.000 0.192 224 E C 2.265 178.843 176.600 -0.037 0.000 0.991 224 E CA 1.251 57.641 56.400 -0.016 0.000 0.799 224 E CB -0.117 29.581 29.700 -0.004 0.000 0.748 224 E HN 0.482 nan 8.360 nan 0.000 0.449 225 I N 0.401 120.940 120.570 -0.053 0.000 2.208 225 I HA -0.274 3.896 4.170 -0.000 0.000 0.245 225 I C 2.639 178.694 176.117 -0.104 0.000 1.097 225 I CA 1.176 62.432 61.300 -0.074 0.000 1.363 225 I CB -0.339 37.608 38.000 -0.090 0.000 1.051 225 I HN 0.033 nan 8.210 nan 0.000 0.413 226 S N 0.545 116.164 115.700 -0.134 0.000 2.402 226 S HA -0.194 4.276 4.470 -0.000 0.000 0.229 226 S C 2.241 176.788 174.600 -0.087 0.000 1.021 226 S CA 1.225 59.332 58.200 -0.154 0.000 0.974 226 S CB -0.205 62.890 63.200 -0.175 0.000 0.800 226 S HN 0.338 nan 8.310 nan 0.000 0.484 227 R N 0.237 120.701 120.500 -0.059 0.000 2.066 227 R HA 0.061 4.401 4.340 -0.000 0.000 0.232 227 R C 2.331 178.612 176.300 -0.031 0.000 1.131 227 R CA 1.382 57.460 56.100 -0.037 0.000 0.955 227 R CB -0.417 29.869 30.300 -0.023 0.000 0.851 227 R HN 0.431 nan 8.270 nan 0.000 0.432 228 L N 0.078 121.281 121.223 -0.033 0.000 2.012 228 L HA -0.294 4.046 4.340 -0.000 0.000 0.210 228 L C 2.774 179.627 176.870 -0.028 0.000 1.073 228 L CA 1.416 56.241 54.840 -0.026 0.000 0.748 228 L CB -0.554 41.489 42.059 -0.026 0.000 0.891 228 L HN 0.390 nan 8.230 nan 0.000 0.431 229 C N -0.249 119.026 119.300 -0.041 0.000 2.413 229 C HA -0.212 4.247 4.460 -0.000 0.000 0.277 229 C C 2.905 177.886 174.990 -0.015 0.000 1.228 229 C CA 1.092 60.089 59.018 -0.034 0.000 1.731 229 C CB -0.707 27.001 27.740 -0.054 0.000 2.042 229 C HN 0.454 nan 8.230 nan 0.000 0.468 230 K N 0.888 121.274 120.400 -0.023 0.000 2.152 230 K HA -0.222 4.098 4.320 -0.000 0.000 0.206 230 K C 2.085 178.685 176.600 0.000 0.000 1.048 230 K CA 1.715 57.996 56.287 -0.011 0.000 0.933 230 K CB -0.273 32.210 32.500 -0.028 0.000 0.721 230 K HN 0.632 nan 8.250 nan 0.000 0.447 231 E N -0.374 119.823 120.200 -0.005 0.000 2.150 231 E HA -0.149 4.201 4.350 -0.000 0.000 0.193 231 E C 1.134 177.738 176.600 0.007 0.000 0.985 231 E CA 1.029 57.429 56.400 0.000 0.000 0.814 231 E CB -0.023 29.675 29.700 -0.004 0.000 0.752 231 E HN 0.403 nan 8.360 nan 0.000 0.466 232 A N -0.146 122.677 122.820 0.005 0.000 2.308 232 A HA 0.350 4.670 4.320 -0.000 0.000 0.217 232 A C 1.589 179.187 177.584 0.023 0.000 1.216 232 A CA 0.666 52.706 52.037 0.004 0.000 0.864 232 A CB -0.144 18.845 19.000 -0.018 0.000 0.902 232 A HN 0.438 nan 8.150 nan 0.000 0.499 233 G N -1.051 107.779 108.800 0.051 0.000 2.155 233 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.257 233 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.257 233 G C 0.235 175.242 174.900 0.178 0.000 0.983 233 G CA 0.333 45.504 45.100 0.117 0.000 0.676 233 G HN 0.777 nan 8.290 nan 0.000 0.528 234 V N 1.856 121.826 119.914 0.094 0.000 2.530 234 V HA 0.336 4.456 4.120 -0.000 0.000 0.282 234 V C 0.595 176.755 176.094 0.109 0.000 1.048 234 V CA -0.486 61.870 62.300 0.093 0.000 0.997 234 V CB 1.632 33.455 31.823 -0.001 0.000 0.987 234 V HN 0.358 nan 8.190 nan 0.000 0.477 235 Q N 3.872 123.769 119.800 0.162 0.000 2.286 235 Q HA 0.380 4.720 4.340 -0.000 0.000 0.257 235 Q C -0.459 175.607 176.000 0.110 0.000 0.941 235 Q CA -0.135 55.736 55.803 0.113 0.000 0.912 235 Q CB 1.681 30.474 28.738 0.093 0.000 1.192 235 Q HN 0.599 nan 8.270 nan 0.000 0.410 236 L N 4.141 125.416 121.223 0.088 0.000 2.255 236 L HA 0.248 4.588 4.340 -0.000 0.000 0.289 236 L C -0.977 176.101 176.870 0.347 0.000 1.046 236 L CA -0.681 54.220 54.840 0.101 0.000 0.816 236 L CB 0.329 42.282 42.059 -0.176 0.000 1.197 236 L HN 0.583 nan 8.230 nan 0.000 0.427 237 Y N 4.957 125.443 120.300 0.312 0.000 2.320 237 Y HA 0.201 4.751 4.550 -0.000 0.000 0.334 237 Y C -0.998 175.143 175.900 0.400 0.000 1.055 237 Y CA -0.490 57.807 58.100 0.329 0.000 1.143 237 Y CB 0.978 39.546 38.460 0.181 0.000 1.193 237 Y HN 0.454 nan 8.280 nan 0.000 0.477 238 Y N 6.844 126.832 120.300 -0.519 0.000 2.434 238 Y HA 0.243 4.793 4.550 -0.000 0.000 0.341 238 Y C -0.337 175.173 175.900 -0.649 0.000 0.965 238 Y CA -0.911 56.694 58.100 -0.824 0.000 1.205 238 Y CB 0.345 38.010 38.460 -1.325 0.000 1.121 238 Y HN 0.651 nan 8.280 nan 0.000 0.507 239 D N 4.426 124.459 120.400 -0.611 0.000 2.344 239 D HA 0.088 4.728 4.640 -0.000 0.000 0.253 239 D C 0.895 176.585 176.300 -1.016 0.000 1.255 239 D CA 0.207 53.929 54.000 -0.462 0.000 0.894 239 D CB 1.213 41.973 40.800 -0.067 0.000 1.067 239 D HN 0.960 nan 8.370 nan 0.000 0.492 240 G N 3.008 111.172 108.800 -1.060 0.000 3.155 240 G HA2 0.097 4.057 3.960 -0.000 0.000 0.213 240 G HA3 0.097 4.057 3.960 -0.000 0.000 0.213 240 G C 1.325 176.011 174.900 -0.357 0.000 1.196 240 G CA 0.400 45.152 45.100 -0.581 0.000 0.846 240 G HN 0.581 nan 8.290 nan 0.000 0.516 241 A N 1.262 123.874 122.820 -0.347 0.000 1.978 241 A HA -0.094 4.226 4.320 -0.000 0.000 0.220 241 A C 1.879 179.377 177.584 -0.143 0.000 1.170 241 A CA 1.218 53.153 52.037 -0.171 0.000 0.636 241 A CB -0.077 18.852 19.000 -0.119 0.000 0.810 241 A HN 0.340 nan 8.150 nan 0.000 0.448 242 N N 0.055 118.636 118.700 -0.197 0.000 2.273 242 N HA 0.114 4.854 4.740 -0.000 0.000 0.231 242 N C 0.992 176.322 175.510 -0.301 0.000 1.134 242 N CA -0.236 52.638 53.050 -0.294 0.000 0.856 242 N CB 0.530 38.929 38.487 -0.147 0.000 1.068 242 N HN 0.353 nan 8.380 nan 0.000 0.510 243 L N 0.616 121.753 121.223 -0.143 0.000 2.187 243 L HA -0.115 4.225 4.340 -0.000 0.000 0.213 243 L C 1.475 178.275 176.870 -0.117 0.000 1.100 243 L CA 1.444 56.265 54.840 -0.031 0.000 0.765 243 L CB -0.463 41.622 42.059 0.044 0.000 0.904 243 L HN 0.103 nan 8.230 nan 0.000 0.437 244 N N 0.453 119.023 118.700 -0.216 0.000 2.272 244 N HA -0.146 4.594 4.740 -0.000 0.000 0.185 244 N C 1.709 177.143 175.510 -0.126 0.000 1.014 244 N CA 1.435 54.376 53.050 -0.182 0.000 0.870 244 N CB -0.029 38.362 38.487 -0.159 0.000 0.975 244 N HN 0.425 nan 8.380 nan 0.000 0.433 245 A N -0.009 122.668 122.820 -0.238 0.000 2.119 245 A HA 0.047 4.367 4.320 -0.000 0.000 0.217 245 A C 1.713 179.306 177.584 0.015 0.000 1.153 245 A CA 1.162 53.147 52.037 -0.085 0.000 0.692 245 A CB -0.523 18.419 19.000 -0.096 0.000 0.799 245 A HN 0.563 nan 8.150 nan 0.000 0.458 246 I N -3.916 116.687 120.570 0.055 0.000 4.541 246 I HA 0.283 4.453 4.170 -0.000 0.000 0.337 246 I C 0.419 176.664 176.117 0.213 0.000 1.338 246 I CA -0.580 60.819 61.300 0.165 0.000 1.244 246 I CB -0.334 37.769 38.000 0.173 0.000 1.417 246 I HN 0.193 nan 8.210 nan 0.000 0.501 247 M N 1.578 121.250 119.600 0.119 0.000 2.284 247 M HA 0.449 4.929 4.480 -0.000 0.000 0.351 247 M C 1.056 177.390 176.300 0.057 0.000 1.443 247 M CA 1.403 56.742 55.300 0.066 0.000 1.031 247 M CB 0.011 32.611 32.600 0.000 0.000 1.893 247 M HN 0.386 nan 8.290 nan 0.000 0.456 248 G N 2.737 111.512 108.800 -0.040 0.000 2.284 248 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.230 248 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.230 248 G C 0.142 174.833 174.900 -0.350 0.000 1.021 248 G CA 0.375 45.338 45.100 -0.228 0.000 0.619 248 G HN 0.894 nan 8.290 nan 0.000 0.510 249 W N 0.987 122.262 121.300 -0.041 0.000 2.762 249 W HA 0.734 5.394 4.660 -0.000 0.000 0.265 249 W C 1.169 177.663 176.519 -0.042 0.000 1.263 249 W CA 0.981 58.299 57.345 -0.045 0.000 1.411 249 W CB 0.572 30.001 29.460 -0.051 0.000 1.065 249 W HN 0.894 nan 8.180 nan 0.000 0.609 250 A N 0.322 123.243 122.820 0.170 0.000 2.589 250 A HA 0.765 5.085 4.320 -0.000 0.000 0.296 250 A C -1.020 176.596 177.584 0.053 0.000 1.062 250 A CA -0.965 51.137 52.037 0.109 0.000 0.686 250 A CB 1.047 20.136 19.000 0.148 0.000 1.282 250 A HN 0.016 nan 8.150 nan 0.000 0.404 251 R N 2.369 122.880 120.500 0.019 0.000 2.494 251 R HA 0.456 4.796 4.340 -0.000 0.000 0.305 251 R C -2.032 174.221 176.300 -0.079 0.000 0.959 251 R CA -1.929 54.139 56.100 -0.053 0.000 0.864 251 R CB 2.083 32.354 30.300 -0.048 0.000 1.159 251 R HN 0.501 nan 8.270 nan 0.000 0.446 252 P HA -0.167 nan 4.420 nan 0.000 0.218 252 P C 1.204 178.519 177.300 0.024 0.000 1.148 252 P CA 1.347 64.276 63.100 -0.284 0.000 0.822 252 P CB 0.210 31.174 31.700 -1.227 0.000 0.784 253 G N 0.720 109.486 108.800 -0.057 0.000 2.442 253 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.219 253 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.219 253 G C 1.134 176.053 174.900 0.031 0.000 1.141 253 G CA 0.789 45.891 45.100 0.004 0.000 0.763 253 G HN 0.208 nan 8.290 nan 0.000 0.554 254 D N 0.000 120.416 120.400 0.027 0.000 2.355 254 D HA 0.070 4.710 4.640 -0.000 0.000 0.218 254 D C 2.284 178.618 176.300 0.057 0.000 1.004 254 D CA 0.324 54.345 54.000 0.035 0.000 0.880 254 D CB 0.083 40.900 40.800 0.030 0.000 0.911 254 D HN 0.359 nan 8.370 nan 0.000 0.528 255 M N -0.984 118.672 119.600 0.094 0.000 2.509 255 M HA 0.164 4.644 4.480 -0.000 0.000 0.250 255 M C 1.185 177.474 176.300 -0.019 0.000 1.132 255 M CA 0.539 55.898 55.300 0.099 0.000 1.080 255 M CB 0.896 33.633 32.600 0.229 0.000 1.408 255 M HN 0.118 nan 8.290 nan 0.000 0.484 256 G N 0.103 108.896 108.800 -0.013 0.000 2.192 256 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.193 256 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.193 256 G C -0.093 174.731 174.900 -0.126 0.000 0.999 256 G CA -0.779 44.268 45.100 -0.090 0.000 0.659 256 G HN 0.286 nan 8.290 nan 0.000 0.503 257 F N 2.096 122.034 119.950 -0.019 0.000 2.529 257 F HA 0.323 4.850 4.527 -0.000 0.000 0.365 257 F C 1.475 177.260 175.800 -0.025 0.000 1.102 257 F CA 0.509 58.498 58.000 -0.019 0.000 1.271 257 F CB 0.725 39.691 39.000 -0.057 0.000 1.120 257 F HN 0.001 nan 8.300 nan 0.000 0.579 258 D N 1.234 121.730 120.400 0.159 0.000 2.301 258 D HA 0.035 4.675 4.640 -0.000 0.000 0.206 258 D C 0.059 176.351 176.300 -0.013 0.000 0.979 258 D CA 0.862 54.902 54.000 0.067 0.000 0.874 258 D CB 0.878 41.715 40.800 0.060 0.000 0.968 258 D HN 0.228 nan 8.370 nan 0.000 0.510 259 V N 0.534 120.459 119.914 0.019 0.000 2.932 259 V HA 0.488 4.607 4.120 -0.000 0.000 0.307 259 V C -1.542 174.420 176.094 -0.220 0.000 1.147 259 V CA -0.576 61.685 62.300 -0.065 0.000 0.951 259 V CB 2.587 34.424 31.823 0.024 0.000 1.031 259 V HN -0.218 nan 8.190 nan 0.000 0.426 260 V N 5.770 125.558 119.914 -0.210 0.000 2.962 260 V HA 0.674 4.794 4.120 -0.000 0.000 0.313 260 V C -0.911 175.117 176.094 -0.111 0.000 1.099 260 V CA -0.447 61.706 62.300 -0.244 0.000 0.971 260 V CB 2.023 33.750 31.823 -0.160 0.000 1.028 260 V HN 1.145 nan 8.190 nan 0.000 0.430 261 H N 3.655 122.644 119.070 -0.135 0.000 2.717 261 H HA 0.788 5.344 4.556 -0.000 0.000 0.366 261 H C -2.168 173.181 175.328 0.035 0.000 1.132 261 H CA -0.908 55.139 56.048 -0.001 0.000 1.180 261 H CB 2.036 31.870 29.762 0.120 0.000 1.678 261 H HN 0.497 nan 8.280 nan 0.000 0.537 262 L N 2.489 123.847 121.223 0.226 0.000 2.319 262 L HA 0.352 4.692 4.340 -0.000 0.000 0.267 262 L C -0.628 176.410 176.870 0.280 0.000 1.011 262 L CA -1.110 53.835 54.840 0.176 0.000 0.818 262 L CB 1.977 44.124 42.059 0.147 0.000 1.316 262 L HN 0.668 nan 8.230 nan 0.000 0.432 263 N N 1.332 120.154 118.700 0.203 0.000 2.564 263 N HA 0.289 5.029 4.740 -0.000 0.000 0.248 263 N C 0.361 175.953 175.510 0.137 0.000 0.986 263 N CA -0.514 52.600 53.050 0.106 0.000 0.921 263 N CB 1.517 39.908 38.487 -0.160 0.000 1.136 263 N HN 0.415 nan 8.380 nan 0.000 0.509 264 L N 1.743 123.118 121.223 0.253 0.000 2.141 264 L HA -0.128 4.212 4.340 -0.000 0.000 0.209 264 L C 2.125 179.083 176.870 0.146 0.000 1.094 264 L CA 1.481 56.471 54.840 0.250 0.000 0.763 264 L CB -0.723 41.402 42.059 0.111 0.000 0.908 264 L HN 0.719 nan 8.230 nan 0.000 0.437 265 H N -2.268 116.753 119.070 -0.082 0.000 2.547 265 H HA 0.134 4.690 4.556 -0.000 0.000 0.266 265 H C 1.276 176.346 175.328 -0.430 0.000 0.988 265 H CA 0.317 56.202 56.048 -0.272 0.000 1.147 265 H CB 0.022 29.605 29.762 -0.300 0.000 1.365 265 H HN 0.342 nan 8.280 nan 0.000 0.589 266 K N 0.171 120.308 120.400 -0.438 0.000 2.446 266 K HA 0.128 4.448 4.320 -0.000 0.000 0.238 266 K C 1.974 178.471 176.600 -0.170 0.000 1.193 266 K CA 0.613 56.735 56.287 -0.276 0.000 0.782 266 K CB 0.222 32.560 32.500 -0.268 0.000 1.506 266 K HN -0.037 nan 8.250 nan 0.000 0.417 267 T N 1.561 116.011 114.554 -0.173 0.000 2.684 267 T HA -0.096 4.254 4.350 -0.000 0.000 0.267 267 T C 1.123 175.523 174.700 -0.500 0.000 1.036 267 T CA 1.506 63.406 62.100 -0.334 0.000 1.148 267 T CB -0.236 68.367 68.868 -0.440 0.000 0.863 267 T HN 0.061 nan 8.240 nan 0.000 0.436 268 F N 1.995 121.883 119.950 -0.103 0.000 2.701 268 F HA 0.246 4.773 4.527 -0.000 0.000 0.295 268 F C 1.593 177.121 175.800 -0.453 0.000 1.165 268 F CA 0.140 58.033 58.000 -0.178 0.000 1.399 268 F CB -1.113 37.899 39.000 0.019 0.000 0.996 268 F HN 0.288 nan 8.300 nan 0.000 0.513 269 T N -3.706 110.629 114.554 -0.364 0.000 7.578 269 T HA -0.255 4.095 4.350 -0.000 0.000 0.299 269 T C 0.256 174.859 174.700 -0.162 0.000 2.097 269 T CA 0.452 62.356 62.100 -0.327 0.000 3.248 269 T CB -2.716 65.847 68.868 -0.508 0.000 2.014 269 T HN 0.006 nan 8.240 nan 0.000 1.198 270 V N 4.518 124.372 119.914 -0.100 0.000 2.617 270 V HA 0.290 4.410 4.120 -0.000 0.000 0.304 270 V C -1.134 174.885 176.094 -0.124 0.000 1.040 270 V CA -0.634 61.624 62.300 -0.069 0.000 1.149 270 V CB 0.263 32.069 31.823 -0.027 0.000 0.914 270 V HN 0.486 nan 8.190 nan 0.000 0.487 271 P HA 0.040 nan 4.420 nan 0.000 0.266 271 P C 0.003 177.250 177.300 -0.088 0.000 1.195 271 P CA 0.107 63.164 63.100 -0.071 0.000 0.768 271 P CB 0.520 32.193 31.700 -0.045 0.000 0.838 272 H N 1.668 120.705 119.070 -0.054 0.000 2.524 272 H HA 0.087 4.643 4.556 -0.000 0.000 0.282 272 H C 1.706 177.005 175.328 -0.048 0.000 1.016 272 H CA 1.408 57.433 56.048 -0.038 0.000 1.270 272 H CB -0.702 28.998 29.762 -0.103 0.000 1.394 272 H HN 0.738 nan 8.280 nan 0.000 0.568 273 G N 0.502 109.326 108.800 0.041 0.000 2.416 273 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.301 273 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.301 273 G C 1.276 176.181 174.900 0.008 0.000 0.985 273 G CA 0.640 45.744 45.100 0.005 0.000 0.934 273 G HN 0.984 nan 8.290 nan 0.000 0.513 274 G N -2.193 106.613 108.800 0.009 0.000 2.153 274 G HA2 0.203 4.163 3.960 -0.000 0.000 0.252 274 G HA3 0.203 4.163 3.960 -0.000 0.000 0.252 274 G C 1.710 176.623 174.900 0.022 0.000 0.994 274 G CA 0.911 46.016 45.100 0.008 0.000 0.698 274 G HN 2.580 nan 8.290 nan 0.000 0.521 275 G N -2.656 106.165 108.800 0.036 0.000 3.211 275 G HA2 0.545 4.505 3.960 -0.000 0.000 0.202 275 G HA3 0.545 4.505 3.960 -0.000 0.000 0.202 275 G C 1.126 176.038 174.900 0.021 0.000 1.035 275 G CA 1.126 46.249 45.100 0.038 0.000 0.846 275 G HN 2.461 nan 8.290 nan 0.000 0.464 276 G N -0.318 108.477 108.800 -0.008 0.000 2.342 276 G HA2 0.686 4.646 3.960 -0.000 0.000 0.297 276 G HA3 0.686 4.646 3.960 -0.000 0.000 0.297 276 G C -3.178 171.681 174.900 -0.068 0.000 1.313 276 G CA 0.272 45.331 45.100 -0.068 0.000 0.830 276 G HN 0.487 nan 8.290 nan 0.000 0.506 277 P HA 0.622 nan 4.420 nan 0.000 0.279 277 P C 0.188 177.330 177.300 -0.264 0.000 1.276 277 P CA 0.193 63.200 63.100 -0.154 0.000 0.801 277 P CB 2.063 33.696 31.700 -0.112 0.000 1.127 278 G N -0.956 107.602 108.800 -0.403 0.000 3.195 278 G HA2 0.561 4.521 3.960 -0.000 0.000 0.217 278 G HA3 0.561 4.521 3.960 -0.000 0.000 0.217 278 G C -1.311 173.391 174.900 -0.329 0.000 1.166 278 G CA -0.572 44.113 45.100 -0.692 0.000 0.812 278 G HN 0.680 nan 8.290 nan 0.000 0.617 279 S N -1.704 113.869 115.700 -0.211 0.000 2.582 279 S HA 0.532 5.002 4.470 -0.000 0.000 0.287 279 S C -0.588 174.077 174.600 0.108 0.000 1.146 279 S CA 0.270 58.461 58.200 -0.015 0.000 0.941 279 S CB 0.981 64.177 63.200 -0.006 0.000 1.115 279 S HN 1.619 nan 8.310 nan 0.000 0.458 280 G N 4.514 113.369 108.800 0.092 0.000 4.766 280 G HA2 0.531 4.491 3.960 -0.000 0.000 0.331 280 G HA3 0.531 4.491 3.960 -0.000 0.000 0.331 280 G C -3.059 171.895 174.900 0.090 0.000 1.473 280 G CA -1.505 43.672 45.100 0.128 0.000 1.076 280 G HN 0.498 nan 8.290 nan 0.000 0.544 281 P HA 0.111 nan 4.420 nan 0.000 0.265 281 P C -0.137 177.194 177.300 0.052 0.000 1.187 281 P CA 0.101 63.212 63.100 0.020 0.000 0.766 281 P CB 1.424 33.102 31.700 -0.037 0.000 0.820 282 V N 3.645 123.573 119.914 0.024 0.000 2.407 282 V HA 0.566 4.686 4.120 -0.000 0.000 0.291 282 V C 0.738 176.828 176.094 -0.006 0.000 1.018 282 V CA -0.377 61.948 62.300 0.041 0.000 0.842 282 V CB 1.501 33.359 31.823 0.059 0.000 0.996 282 V HN 0.695 nan 8.190 nan 0.000 0.426 283 G N 3.160 111.944 108.800 -0.027 0.000 2.437 283 G HA2 0.687 4.647 3.960 -0.000 0.000 0.319 283 G HA3 0.687 4.647 3.960 -0.000 0.000 0.319 283 G C -1.179 173.685 174.900 -0.060 0.000 1.158 283 G CA -0.507 44.559 45.100 -0.057 0.000 0.899 283 G HN 0.579 nan 8.290 nan 0.000 0.502 284 V N 0.948 120.820 119.914 -0.070 0.000 3.048 284 V HA 0.375 4.495 4.120 -0.000 0.000 0.303 284 V C -0.679 175.351 176.094 -0.106 0.000 1.214 284 V CA -1.164 61.083 62.300 -0.088 0.000 0.984 284 V CB 2.496 34.272 31.823 -0.078 0.000 1.054 284 V HN 0.677 nan 8.190 nan 0.000 0.430 285 K N 1.452 121.760 120.400 -0.152 0.000 2.202 285 K HA 0.463 4.783 4.320 -0.000 0.000 0.264 285 K C 1.327 177.825 176.600 -0.169 0.000 1.010 285 K CA 0.435 56.647 56.287 -0.124 0.000 0.940 285 K CB 1.315 33.772 32.500 -0.072 0.000 0.983 285 K HN 0.839 nan 8.250 nan 0.000 0.475 286 A N 2.409 125.204 122.820 -0.042 0.000 1.927 286 A HA -0.240 4.080 4.320 -0.000 0.000 0.220 286 A C 1.741 179.324 177.584 -0.001 0.000 1.185 286 A CA 2.106 54.137 52.037 -0.010 0.000 0.639 286 A CB -1.012 18.014 19.000 0.045 0.000 0.820 286 A HN 0.888 nan 8.150 nan 0.000 0.451 287 H N -1.063 118.018 119.070 0.019 0.000 2.543 287 H HA 0.083 4.639 4.556 -0.000 0.000 0.286 287 H C 1.357 176.759 175.328 0.123 0.000 1.037 287 H CA 1.360 57.452 56.048 0.072 0.000 1.250 287 H CB -0.410 29.398 29.762 0.076 0.000 1.373 287 H HN 0.499 nan 8.280 nan 0.000 0.580 288 L N -0.068 120.971 121.223 -0.306 0.000 2.731 288 L HA 0.329 4.669 4.340 -0.000 0.000 0.240 288 L C 2.659 179.542 176.870 0.021 0.000 1.120 288 L CA 0.388 55.192 54.840 -0.059 0.000 0.913 288 L CB 0.098 41.971 42.059 -0.310 0.000 1.213 288 L HN 0.220 nan 8.230 nan 0.000 0.515 289 A N 1.779 124.547 122.820 -0.088 0.000 1.908 289 A HA -0.098 4.222 4.320 -0.000 0.000 0.218 289 A C -0.169 177.324 177.584 -0.151 0.000 1.181 289 A CA 1.551 53.534 52.037 -0.089 0.000 0.627 289 A CB -1.628 17.326 19.000 -0.076 0.000 0.818 289 A HN 0.259 nan 8.150 nan 0.000 0.445 290 P HA -0.140 nan 4.420 nan 0.000 0.228 290 P C 0.214 177.229 177.300 -0.474 0.000 1.151 290 P CA 0.978 63.824 63.100 -0.424 0.000 0.770 290 P CB -0.276 31.105 31.700 -0.531 0.000 0.786 291 Y N -0.900 119.419 120.300 0.032 0.000 2.466 291 Y HA 0.212 4.762 4.550 -0.000 0.000 0.272 291 Y C 1.559 177.473 175.900 0.022 0.000 1.169 291 Y CA -0.623 57.500 58.100 0.038 0.000 1.285 291 Y CB -0.851 37.644 38.460 0.057 0.000 1.078 291 Y HN -0.168 nan 8.280 nan 0.000 0.523 292 L N 4.089 125.353 121.223 0.069 0.000 2.485 292 L HA 0.067 4.407 4.340 -0.000 0.000 0.275 292 L C -1.851 175.040 176.870 0.035 0.000 1.207 292 L CA -1.731 53.133 54.840 0.040 0.000 0.855 292 L CB 0.279 42.334 42.059 -0.006 0.000 1.114 292 L HN -0.056 nan 8.230 nan 0.000 0.485 293 P HA 0.068 nan 4.420 nan 0.000 0.272 293 P C -0.790 176.516 177.300 0.010 0.000 1.230 293 P CA -0.255 62.863 63.100 0.030 0.000 0.788 293 P CB 0.944 32.651 31.700 0.013 0.000 0.949 294 V N -1.804 118.130 119.914 0.034 0.000 2.837 294 V HA 0.654 4.774 4.120 -0.000 0.000 0.310 294 V C -2.275 173.792 176.094 -0.045 0.000 1.059 294 V CA -2.592 59.688 62.300 -0.033 0.000 1.004 294 V CB 1.148 33.028 31.823 0.096 0.000 1.045 294 V HN 0.487 nan 8.190 nan 0.000 0.465 295 P HA 0.581 nan 4.420 nan 0.000 0.285 295 P C -1.264 175.842 177.300 -0.323 0.000 1.280 295 P CA -0.754 61.955 63.100 -0.652 0.000 0.862 295 P CB 2.110 32.936 31.700 -1.456 0.000 1.153 296 L N 0.706 121.751 121.223 -0.296 0.000 2.331 296 L HA 0.458 4.798 4.340 -0.000 0.000 0.275 296 L C 0.070 176.799 176.870 -0.234 0.000 1.022 296 L CA -1.386 53.339 54.840 -0.192 0.000 0.812 296 L CB 1.956 43.934 42.059 -0.134 0.000 1.257 296 L HN 0.074 nan 8.230 nan 0.000 0.435 297 V N 2.351 122.178 119.914 -0.146 0.000 2.432 297 V HA 0.290 4.410 4.120 -0.000 0.000 0.271 297 V C 0.042 176.128 176.094 -0.013 0.000 1.046 297 V CA -0.447 61.786 62.300 -0.113 0.000 0.945 297 V CB 0.844 32.667 31.823 -0.000 0.000 0.992 297 V HN 0.660 nan 8.190 nan 0.000 0.471 298 E N 4.230 124.256 120.200 -0.289 0.000 2.378 298 E HA 0.559 4.909 4.350 -0.000 0.000 0.265 298 E C -0.649 175.762 176.600 -0.315 0.000 0.932 298 E CA -1.027 55.211 56.400 -0.270 0.000 0.795 298 E CB 2.777 32.169 29.700 -0.514 0.000 1.296 298 E HN 0.725 nan 8.360 nan 0.000 0.438 299 R N -0.361 119.956 120.500 -0.305 0.000 2.393 299 R HA 0.754 5.094 4.340 -0.000 0.000 0.315 299 R C 0.036 176.240 176.300 -0.161 0.000 0.952 299 R CA -0.764 55.042 56.100 -0.491 0.000 0.842 299 R CB 1.336 30.960 30.300 -1.127 0.000 1.163 299 R HN 0.466 nan 8.270 nan 0.000 0.450 300 G N 1.455 110.267 108.800 0.021 0.000 2.887 300 G HA2 0.179 4.139 3.960 -0.000 0.000 0.277 300 G HA3 0.179 4.139 3.960 -0.000 0.000 0.277 300 G C 0.377 175.181 174.900 -0.160 0.000 1.346 300 G CA -0.750 44.343 45.100 -0.012 0.000 1.058 300 G HN 0.740 nan 8.290 nan 0.000 0.535 301 E N 0.008 120.120 120.200 -0.147 0.000 2.070 301 E HA -0.234 4.116 4.350 -0.000 0.000 0.197 301 E C 1.767 178.276 176.600 -0.152 0.000 1.004 301 E CA 1.869 58.186 56.400 -0.139 0.000 0.805 301 E CB -0.280 29.351 29.700 -0.115 0.000 0.744 301 E HN 0.598 nan 8.360 nan 0.000 0.451 302 E N 1.167 121.268 120.200 -0.164 0.000 1.998 302 E HA 0.067 4.417 4.350 -0.000 0.000 0.196 302 E C 1.280 177.788 176.600 -0.154 0.000 1.003 302 E CA 1.364 57.679 56.400 -0.142 0.000 0.829 302 E CB -0.337 29.276 29.700 -0.145 0.000 0.777 302 E HN 0.397 nan 8.360 nan 0.000 0.460 303 G N -1.124 107.574 108.800 -0.171 0.000 2.529 303 G HA2 0.394 4.354 3.960 -0.000 0.000 0.238 303 G HA3 0.394 4.354 3.960 -0.000 0.000 0.238 303 G C -1.415 173.323 174.900 -0.271 0.000 1.207 303 G CA -1.022 43.920 45.100 -0.263 0.000 0.928 303 G HN 0.059 nan 8.290 nan 0.000 0.495 304 F N 1.260 121.199 119.950 -0.019 0.000 2.418 304 F HA 0.638 5.165 4.527 -0.000 0.000 0.341 304 F C 0.321 176.188 175.800 0.111 0.000 1.120 304 F CA 0.225 58.208 58.000 -0.028 0.000 1.232 304 F CB 1.032 39.974 39.000 -0.096 0.000 1.175 304 F HN 0.561 nan 8.300 nan 0.000 0.569 305 Y N 0.307 120.647 120.300 0.068 0.000 2.609 305 Y HA 0.615 5.164 4.550 -0.000 0.000 0.336 305 Y C -2.043 173.839 175.900 -0.030 0.000 1.129 305 Y CA -2.062 56.043 58.100 0.008 0.000 1.040 305 Y CB 0.541 38.995 38.460 -0.009 0.000 1.310 305 Y HN 0.220 nan 8.280 nan 0.000 0.460 306 L N 3.492 124.697 121.223 -0.029 0.000 2.283 306 L HA 0.264 4.604 4.340 -0.000 0.000 0.287 306 L C -0.321 176.477 176.870 -0.120 0.000 1.073 306 L CA 0.125 54.829 54.840 -0.227 0.000 0.822 306 L CB 0.114 42.015 42.059 -0.263 0.000 1.186 306 L HN 0.736 nan 8.230 nan 0.000 0.436 307 D N 2.713 122.931 120.400 -0.302 0.000 2.313 307 D HA 0.164 4.804 4.640 -0.000 0.000 0.239 307 D C 0.345 176.537 176.300 -0.180 0.000 1.142 307 D CA -0.111 53.837 54.000 -0.085 0.000 0.847 307 D CB 0.716 41.433 40.800 -0.139 0.000 1.082 307 D HN 0.283 nan 8.370 nan 0.000 0.480 308 F N 0.853 120.862 119.950 0.097 0.000 2.704 308 F HA 0.117 4.644 4.527 -0.000 0.000 0.304 308 F C 1.094 176.933 175.800 0.066 0.000 1.094 308 F CA -0.459 57.590 58.000 0.081 0.000 1.275 308 F CB 0.486 39.540 39.000 0.090 0.000 1.073 308 F HN 0.243 nan 8.300 nan 0.000 0.586 309 D N 2.027 122.559 120.400 0.220 0.000 2.508 309 D HA 0.134 4.774 4.640 -0.000 0.000 0.224 309 D C -0.201 176.153 176.300 0.090 0.000 1.171 309 D CA 0.264 54.351 54.000 0.144 0.000 1.006 309 D CB -0.153 40.722 40.800 0.126 0.000 1.073 309 D HN 0.172 nan 8.370 nan 0.000 0.513 310 R N 3.744 124.293 120.500 0.082 0.000 2.721 310 R HA 0.165 4.505 4.340 -0.000 0.000 0.272 310 R C -1.701 174.624 176.300 0.041 0.000 1.721 310 R CA -1.113 55.010 56.100 0.038 0.000 1.325 310 R CB 1.690 32.000 30.300 0.017 0.000 1.271 310 R HN 0.167 nan 8.270 nan 0.000 0.556 311 P HA -0.213 nan 4.420 nan 0.000 0.218 311 P C 0.193 177.520 177.300 0.045 0.000 1.146 311 P CA 1.368 64.493 63.100 0.040 0.000 0.820 311 P CB 0.390 32.109 31.700 0.032 0.000 0.778 312 K N -0.284 120.126 120.400 0.016 0.000 2.397 312 K HA 0.154 4.474 4.320 -0.000 0.000 0.202 312 K C 0.911 177.575 176.600 0.106 0.000 1.022 312 K CA -0.201 56.117 56.287 0.052 0.000 1.141 312 K CB 0.239 32.701 32.500 -0.063 0.000 0.857 312 K HN 0.011 nan 8.250 nan 0.000 0.514 313 S N 1.366 117.110 115.700 0.074 0.000 2.562 313 S HA 0.054 4.524 4.470 -0.000 0.000 0.281 313 S C 1.330 176.005 174.600 0.125 0.000 1.333 313 S CA -0.615 57.643 58.200 0.096 0.000 1.052 313 S CB 0.383 63.627 63.200 0.073 0.000 0.884 313 S HN 0.374 nan 8.310 nan 0.000 0.506 314 I N 2.123 122.772 120.570 0.131 0.000 3.176 314 I HA 0.317 4.487 4.170 -0.000 0.000 0.275 314 I C 1.215 177.378 176.117 0.077 0.000 1.298 314 I CA 0.447 61.810 61.300 0.104 0.000 1.445 314 I CB -1.270 36.783 38.000 0.089 0.000 1.075 314 I HN 0.874 nan 8.210 nan 0.000 0.482 315 G N 1.449 110.298 108.800 0.082 0.000 2.501 315 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.213 315 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.213 315 G C -0.446 174.503 174.900 0.081 0.000 1.158 315 G CA -0.469 44.680 45.100 0.082 0.000 1.079 315 G HN 0.381 nan 8.290 nan 0.000 0.586 316 R N -0.250 120.294 120.500 0.072 0.000 2.664 316 R HA 0.588 4.928 4.340 -0.000 0.000 0.286 316 R C 1.054 177.378 176.300 0.041 0.000 0.967 316 R CA -0.077 56.064 56.100 0.067 0.000 0.933 316 R CB 1.956 32.302 30.300 0.077 0.000 1.146 316 R HN 1.053 nan 8.270 nan 0.000 0.468 317 V N -0.910 119.022 119.914 0.030 0.000 3.556 317 V HA 0.356 4.476 4.120 -0.000 0.000 0.287 317 V C -0.068 176.130 176.094 0.172 0.000 1.422 317 V CA 0.044 62.366 62.300 0.037 0.000 1.038 317 V CB -0.351 31.370 31.823 -0.170 0.000 0.850 317 V HN 0.820 nan 8.190 nan 0.000 0.437 318 R N -1.455 119.108 120.500 0.104 0.000 2.741 318 R HA 0.600 4.940 4.340 -0.000 0.000 0.276 318 R C -0.848 175.414 176.300 -0.063 0.000 1.028 318 R CA -0.004 56.134 56.100 0.063 0.000 0.865 318 R CB 0.387 30.781 30.300 0.156 0.000 1.268 318 R HN -0.061 nan 8.270 nan 0.000 0.475 319 S N 0.954 116.532 115.700 -0.204 0.000 2.593 319 S HA 0.520 4.990 4.470 -0.000 0.000 0.269 319 S C -0.139 174.173 174.600 -0.479 0.000 1.334 319 S CA 0.267 58.152 58.200 -0.525 0.000 1.015 319 S CB -0.326 62.301 63.200 -0.954 0.000 0.912 319 S HN 0.440 nan 8.310 nan 0.000 0.541 320 F N -0.720 119.079 119.950 -0.252 0.000 2.192 320 F HA -0.327 4.200 4.527 0.000 0.000 0.317 320 F C 0.835 176.262 175.800 -0.623 0.000 1.454 320 F CA 1.258 58.833 58.000 -0.709 0.000 0.932 320 F CB -1.412 37.139 39.000 -0.748 0.000 4.108 320 F HN 0.696 nan 8.300 nan 0.000 0.138 321 Y N 0.366 120.817 120.300 0.251 0.000 2.563 321 Y HA 0.599 5.149 4.550 -0.000 0.000 0.250 321 Y C 0.861 176.810 175.900 0.082 0.000 1.126 321 Y CA -0.263 57.905 58.100 0.114 0.000 1.231 321 Y CB 0.704 39.202 38.460 0.064 0.000 1.288 321 Y HN 0.997 nan 8.280 nan 0.000 0.537 322 G N 0.411 109.312 108.800 0.169 0.000 2.340 322 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.527 322 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.527 322 G C -1.417 173.555 174.900 0.120 0.000 1.381 322 G CA -1.309 43.867 45.100 0.126 0.000 1.001 322 G HN -0.037 nan 8.290 nan 0.000 0.626 323 N N 0.870 119.612 118.700 0.071 0.000 2.819 323 N HA 0.188 4.928 4.740 -0.000 0.000 0.284 323 N C 1.184 176.720 175.510 0.043 0.000 1.196 323 N CA -0.302 52.776 53.050 0.046 0.000 1.114 323 N CB 0.127 38.607 38.487 -0.011 0.000 1.437 323 N HN 0.496 nan 8.380 nan 0.000 0.518 324 F N 1.892 121.811 119.950 -0.051 0.000 2.063 324 F HA -0.267 4.260 4.527 -0.000 0.000 0.298 324 F C 1.620 177.343 175.800 -0.128 0.000 1.109 324 F CA 1.464 59.410 58.000 -0.090 0.000 1.212 324 F CB 0.034 38.986 39.000 -0.080 0.000 0.973 324 F HN 0.259 nan 8.300 nan 0.000 0.480 325 L N 0.138 121.264 121.223 -0.161 0.000 2.261 325 L HA -0.148 4.192 4.340 -0.000 0.000 0.216 325 L C 2.524 179.237 176.870 -0.263 0.000 1.114 325 L CA 1.661 56.352 54.840 -0.248 0.000 0.777 325 L CB -1.859 40.172 42.059 -0.048 0.000 0.910 325 L HN 0.323 nan 8.230 nan 0.000 0.440 326 A N -1.187 121.510 122.820 -0.206 0.000 1.935 326 A HA -0.004 4.316 4.320 -0.000 0.000 0.214 326 A C 2.202 179.657 177.584 -0.214 0.000 1.178 326 A CA 0.659 52.598 52.037 -0.163 0.000 0.640 326 A CB -0.397 18.540 19.000 -0.104 0.000 0.825 326 A HN 0.348 nan 8.150 nan 0.000 0.447 327 L N -0.297 120.756 121.223 -0.284 0.000 2.131 327 L HA -0.142 4.198 4.340 -0.000 0.000 0.210 327 L C 2.405 179.056 176.870 -0.366 0.000 1.092 327 L CA 0.851 55.516 54.840 -0.291 0.000 0.759 327 L CB -0.760 41.128 42.059 -0.285 0.000 0.903 327 L HN 0.205 nan 8.230 nan 0.000 0.435 328 V N 0.068 119.611 119.914 -0.618 0.000 2.343 328 V HA -0.264 3.856 4.120 -0.000 0.000 0.247 328 V C 2.700 178.634 176.094 -0.266 0.000 1.051 328 V CA 1.735 63.672 62.300 -0.606 0.000 1.036 328 V CB -0.586 30.748 31.823 -0.815 0.000 0.654 328 V HN 0.421 nan 8.190 nan 0.000 0.451 329 R N 0.100 120.446 120.500 -0.258 0.000 2.073 329 R HA -0.139 4.201 4.340 -0.000 0.000 0.234 329 R C 2.466 178.574 176.300 -0.319 0.000 1.134 329 R CA 1.553 57.477 56.100 -0.294 0.000 0.952 329 R CB -0.678 29.524 30.300 -0.163 0.000 0.850 329 R HN 0.533 nan 8.270 nan 0.000 0.433 330 A N 0.542 123.283 122.820 -0.133 0.000 1.902 330 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 330 A C 1.928 179.546 177.584 0.057 0.000 1.181 330 A CA 1.300 53.332 52.037 -0.008 0.000 0.623 330 A CB -0.927 18.015 19.000 -0.096 0.000 0.818 330 A HN 0.605 nan 8.150 nan 0.000 0.443 331 W N 0.586 121.791 121.300 -0.158 0.000 2.333 331 W HA -0.204 4.456 4.660 -0.000 0.000 0.316 331 W C 2.497 178.977 176.519 -0.066 0.000 1.215 331 W CA 2.674 59.974 57.345 -0.076 0.000 1.278 331 W CB -0.244 29.131 29.460 -0.142 0.000 1.154 331 W HN 0.356 nan 8.180 nan 0.000 0.486 332 A N -0.890 122.074 122.820 0.240 0.000 1.940 332 A HA -0.270 4.050 4.320 -0.000 0.000 0.219 332 A C 1.812 179.387 177.584 -0.015 0.000 1.176 332 A CA 1.774 53.878 52.037 0.111 0.000 0.631 332 A CB -1.522 17.522 19.000 0.072 0.000 0.814 332 A HN 0.599 nan 8.150 nan 0.000 0.446 333 Y N 0.446 120.618 120.300 -0.212 0.000 2.163 333 Y HA -0.140 4.410 4.550 -0.000 0.000 0.288 333 Y C 1.989 177.861 175.900 -0.046 0.000 1.136 333 Y CA 1.535 59.641 58.100 0.010 0.000 1.147 333 Y CB -0.332 38.184 38.460 0.093 0.000 0.987 333 Y HN 0.269 nan 8.280 nan 0.000 0.509 334 I N -0.188 120.275 120.570 -0.179 0.000 2.252 334 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 334 I C 2.113 177.920 176.117 -0.516 0.000 1.102 334 I CA 1.047 62.125 61.300 -0.371 0.000 1.385 334 I CB -0.340 37.476 38.000 -0.308 0.000 1.064 334 I HN 0.082 nan 8.210 nan 0.000 0.414 335 R N 0.288 120.422 120.500 -0.610 0.000 2.280 335 R HA -0.019 4.321 4.340 -0.000 0.000 0.207 335 R C 1.993 178.082 176.300 -0.352 0.000 1.043 335 R CA 0.924 56.649 56.100 -0.625 0.000 1.006 335 R CB -0.956 28.780 30.300 -0.939 0.000 0.885 335 R HN 0.366 nan 8.270 nan 0.000 0.467 336 T N 0.787 115.189 114.554 -0.253 0.000 2.866 336 T HA 0.037 4.387 4.350 -0.000 0.000 0.250 336 T C 1.754 176.349 174.700 -0.176 0.000 1.033 336 T CA 0.451 62.470 62.100 -0.135 0.000 1.145 336 T CB 0.027 68.894 68.868 -0.002 0.000 0.866 336 T HN -0.020 nan 8.240 nan 0.000 0.434 337 L N 0.699 121.756 121.223 -0.276 0.000 2.131 337 L HA 0.325 4.665 4.340 -0.000 0.000 0.206 337 L C 1.582 178.302 176.870 -0.249 0.000 1.087 337 L CA 1.112 55.789 54.840 -0.272 0.000 0.767 337 L CB -1.226 40.589 42.059 -0.407 0.000 0.917 337 L HN 0.529 nan 8.230 nan 0.000 0.441 338 G N -1.001 107.619 108.800 -0.300 0.000 2.855 338 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.352 338 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.352 338 G C 0.488 175.241 174.900 -0.245 0.000 1.415 338 G CA -0.036 44.899 45.100 -0.276 0.000 0.871 338 G HN 0.244 nan 8.290 nan 0.000 0.543 339 L N -0.081 121.010 121.223 -0.221 0.000 2.012 339 L HA -0.009 4.331 4.340 -0.000 0.000 0.210 339 L C 2.680 179.429 176.870 -0.202 0.000 1.073 339 L CA 3.173 57.891 54.840 -0.204 0.000 0.748 339 L CB -0.638 41.306 42.059 -0.191 0.000 0.891 339 L HN 0.687 nan 8.230 nan 0.000 0.431 340 E N -0.076 120.015 120.200 -0.182 0.000 2.110 340 E HA -0.115 4.235 4.350 -0.000 0.000 0.193 340 E C 2.145 178.667 176.600 -0.130 0.000 0.988 340 E CA 1.139 57.442 56.400 -0.161 0.000 0.804 340 E CB -0.769 28.854 29.700 -0.129 0.000 0.745 340 E HN 0.657 nan 8.360 nan 0.000 0.458 341 G N 0.994 109.710 108.800 -0.141 0.000 2.402 341 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.216 341 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.216 341 G C 1.746 176.574 174.900 -0.120 0.000 1.162 341 G CA 0.413 45.438 45.100 -0.126 0.000 0.777 341 G HN 0.178 nan 8.290 nan 0.000 0.539 342 L N -0.106 121.020 121.223 -0.162 0.000 2.056 342 L HA -0.009 4.331 4.340 -0.000 0.000 0.207 342 L C 2.941 179.786 176.870 -0.042 0.000 1.078 342 L CA 1.108 55.874 54.840 -0.125 0.000 0.749 342 L CB -0.306 41.667 42.059 -0.144 0.000 0.901 342 L HN 0.140 nan 8.230 nan 0.000 0.433 343 K N 0.278 120.620 120.400 -0.097 0.000 2.057 343 K HA -0.229 4.091 4.320 -0.000 0.000 0.207 343 K C 2.198 178.935 176.600 0.229 0.000 1.049 343 K CA 1.382 57.621 56.287 -0.081 0.000 0.931 343 K CB -0.096 32.128 32.500 -0.460 0.000 0.714 343 K HN 0.171 nan 8.250 nan 0.000 0.440 344 K N 0.845 121.305 120.400 0.100 0.000 2.057 344 K HA -0.122 4.198 4.320 -0.000 0.000 0.206 344 K C 2.125 178.803 176.600 0.130 0.000 1.050 344 K CA 1.172 57.541 56.287 0.137 0.000 0.935 344 K CB -0.093 32.439 32.500 0.053 0.000 0.715 344 K HN 0.106 nan 8.250 nan 0.000 0.439 345 A N 1.228 124.101 122.820 0.089 0.000 1.883 345 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 345 A C 2.359 180.006 177.584 0.105 0.000 1.186 345 A CA 2.132 54.220 52.037 0.086 0.000 0.624 345 A CB -0.976 18.069 19.000 0.075 0.000 0.822 345 A HN 0.504 nan 8.150 nan 0.000 0.444 346 A N -0.252 122.657 122.820 0.149 0.000 1.877 346 A HA 0.136 4.456 4.320 -0.000 0.000 0.216 346 A C 2.549 180.187 177.584 0.091 0.000 1.186 346 A CA 2.324 54.450 52.037 0.148 0.000 0.620 346 A CB -1.148 18.015 19.000 0.272 0.000 0.822 346 A HN 1.158 nan 8.150 nan 0.000 0.443 347 A N -0.354 122.558 122.820 0.154 0.000 1.908 347 A HA -0.068 4.252 4.320 -0.000 0.000 0.218 347 A C 2.117 179.699 177.584 -0.004 0.000 1.181 347 A CA 1.603 53.630 52.037 -0.017 0.000 0.627 347 A CB -0.593 18.480 19.000 0.122 0.000 0.818 347 A HN 0.485 nan 8.150 nan 0.000 0.445 348 L N -1.174 120.076 121.223 0.046 0.000 2.313 348 L HA -0.044 4.296 4.340 -0.000 0.000 0.214 348 L C 2.913 179.808 176.870 0.042 0.000 1.119 348 L CA 0.591 55.448 54.840 0.028 0.000 0.809 348 L CB -0.426 41.651 42.059 0.031 0.000 0.933 348 L HN 0.445 nan 8.230 nan 0.000 0.449 349 A N -0.097 122.760 122.820 0.061 0.000 1.897 349 A HA -0.096 4.223 4.320 -0.000 0.000 0.215 349 A C 2.298 179.942 177.584 0.099 0.000 1.181 349 A CA 1.312 53.402 52.037 0.089 0.000 0.620 349 A CB -0.574 18.487 19.000 0.102 0.000 0.821 349 A HN 0.150 nan 8.150 nan 0.000 0.443 350 V N -0.234 119.719 119.914 0.064 0.000 2.358 350 V HA -0.197 3.923 4.120 -0.000 0.000 0.246 350 V C 2.481 178.604 176.094 0.049 0.000 1.047 350 V CA 1.824 64.157 62.300 0.055 0.000 1.035 350 V CB -0.736 31.068 31.823 -0.031 0.000 0.658 350 V HN 0.572 nan 8.190 nan 0.000 0.452 351 L N 0.805 122.039 121.223 0.018 0.000 2.046 351 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 351 L C 2.174 179.092 176.870 0.080 0.000 1.077 351 L CA 1.991 56.844 54.840 0.022 0.000 0.747 351 L CB -0.943 41.102 42.059 -0.023 0.000 0.896 351 L HN 0.285 nan 8.230 nan 0.000 0.432 352 N N 0.058 118.807 118.700 0.082 0.000 2.104 352 N HA -0.144 4.596 4.740 -0.000 0.000 0.190 352 N C 1.807 177.448 175.510 0.218 0.000 1.024 352 N CA 1.665 54.795 53.050 0.133 0.000 0.853 352 N CB -0.517 38.028 38.487 0.097 0.000 1.008 352 N HN 0.545 nan 8.380 nan 0.000 0.424 353 A N 0.767 123.710 122.820 0.206 0.000 1.873 353 A HA -0.077 4.243 4.320 -0.000 0.000 0.215 353 A C 2.247 180.001 177.584 0.284 0.000 1.186 353 A CA 1.224 53.448 52.037 0.311 0.000 0.616 353 A CB -0.502 18.648 19.000 0.249 0.000 0.823 353 A HN 0.212 nan 8.150 nan 0.000 0.442 354 R N -2.201 118.394 120.500 0.159 0.000 2.120 354 R HA -0.182 4.158 4.340 -0.000 0.000 0.234 354 R C 2.009 178.324 176.300 0.026 0.000 1.123 354 R CA 1.807 57.937 56.100 0.051 0.000 0.975 354 R CB -0.382 29.947 30.300 0.048 0.000 0.866 354 R HN 0.671 nan 8.270 nan 0.000 0.446 355 Y N 0.406 120.694 120.300 -0.020 0.000 2.184 355 Y HA -0.166 4.384 4.550 -0.000 0.000 0.290 355 Y C 1.826 177.708 175.900 -0.030 0.000 1.129 355 Y CA 1.300 59.383 58.100 -0.028 0.000 1.144 355 Y CB -0.373 38.084 38.460 -0.004 0.000 0.995 355 Y HN 0.077 nan 8.280 nan 0.000 0.513 356 L N 1.236 122.494 121.223 0.060 0.000 2.191 356 L HA -0.133 4.207 4.340 -0.000 0.000 0.212 356 L C 2.310 179.086 176.870 -0.156 0.000 1.103 356 L CA 1.881 56.740 54.840 0.032 0.000 0.769 356 L CB -0.904 41.344 42.059 0.314 0.000 0.908 356 L HN 0.264 nan 8.230 nan 0.000 0.438 357 K N -0.786 119.324 120.400 -0.483 0.000 2.026 357 K HA -0.181 4.139 4.320 -0.000 0.000 0.208 357 K C 1.950 178.249 176.600 -0.502 0.000 1.048 357 K CA 1.426 57.073 56.287 -1.068 0.000 0.929 357 K CB -0.042 31.724 32.500 -1.223 0.000 0.713 357 K HN 0.266 nan 8.250 nan 0.000 0.439 358 E N 1.093 121.075 120.200 -0.364 0.000 2.058 358 E HA -0.210 4.140 4.350 -0.000 0.000 0.194 358 E C 2.122 178.570 176.600 -0.253 0.000 0.997 358 E CA 1.233 57.471 56.400 -0.270 0.000 0.801 358 E CB -0.344 29.209 29.700 -0.246 0.000 0.746 358 E HN 0.385 nan 8.360 nan 0.000 0.450 359 L N 0.062 121.092 121.223 -0.321 0.000 2.042 359 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 359 L C 2.500 179.297 176.870 -0.121 0.000 1.076 359 L CA 0.755 55.453 54.840 -0.236 0.000 0.749 359 L CB -0.517 41.388 42.059 -0.257 0.000 0.893 359 L HN 0.137 nan 8.230 nan 0.000 0.432 360 L N -0.180 120.980 121.223 -0.106 0.000 2.093 360 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 360 L C 2.508 179.427 176.870 0.081 0.000 1.085 360 L CA 1.673 56.504 54.840 -0.016 0.000 0.755 360 L CB -0.677 41.340 42.059 -0.069 0.000 0.904 360 L HN 0.127 nan 8.230 nan 0.000 0.435 361 K N -0.585 119.797 120.400 -0.030 0.000 2.057 361 K HA -0.224 4.096 4.320 -0.000 0.000 0.207 361 K C 1.972 178.556 176.600 -0.025 0.000 1.049 361 K CA 1.457 57.732 56.287 -0.020 0.000 0.931 361 K CB -0.135 32.317 32.500 -0.080 0.000 0.714 361 K HN 0.365 nan 8.250 nan 0.000 0.440 362 E N 1.032 121.202 120.200 -0.050 0.000 2.204 362 E HA -0.193 4.157 4.350 -0.000 0.000 0.195 362 E C 1.117 177.695 176.600 -0.037 0.000 0.990 362 E CA 1.049 57.418 56.400 -0.052 0.000 0.821 362 E CB 0.274 29.931 29.700 -0.071 0.000 0.750 362 E HN 0.010 nan 8.360 nan 0.000 0.477 363 K N -0.700 119.699 120.400 -0.002 0.000 2.444 363 K HA 0.088 4.408 4.320 -0.000 0.000 0.193 363 K C 1.123 177.674 176.600 -0.082 0.000 1.024 363 K CA 0.798 57.085 56.287 -0.000 0.000 1.077 363 K CB 0.975 33.535 32.500 0.100 0.000 0.833 363 K HN 0.337 nan 8.250 nan 0.000 0.517 364 G N 0.568 109.319 108.800 -0.081 0.000 2.184 364 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.206 364 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.206 364 G C -0.284 174.467 174.900 -0.249 0.000 0.995 364 G CA -0.467 44.525 45.100 -0.180 0.000 0.651 364 G HN 0.200 nan 8.290 nan 0.000 0.511 365 Y N 1.292 121.539 120.300 -0.089 0.000 2.304 365 Y HA 0.641 5.191 4.550 -0.000 0.000 0.327 365 Y C 1.426 177.298 175.900 -0.047 0.000 1.209 365 Y CA -0.116 57.946 58.100 -0.064 0.000 1.299 365 Y CB 0.653 39.088 38.460 -0.042 0.000 1.249 365 Y HN 0.135 nan 8.280 nan 0.000 0.519 366 R N 1.037 121.603 120.500 0.111 0.000 2.668 366 R HA 0.703 5.043 4.340 -0.000 0.000 0.279 366 R C -1.525 174.817 176.300 0.070 0.000 0.976 366 R CA -1.107 55.023 56.100 0.051 0.000 0.978 366 R CB 1.652 31.957 30.300 0.009 0.000 1.133 366 R HN 0.350 nan 8.270 nan 0.000 0.484 367 V N 3.616 123.547 119.914 0.029 0.000 2.327 367 V HA 0.159 4.279 4.120 -0.000 0.000 0.272 367 V C -1.393 174.695 176.094 -0.008 0.000 1.019 367 V CA -1.271 61.056 62.300 0.046 0.000 0.814 367 V CB 1.336 33.176 31.823 0.030 0.000 1.040 367 V HN 0.777 nan 8.190 nan 0.000 0.440 368 P HA -0.142 nan 4.420 nan 0.000 0.217 368 P C -0.095 176.982 177.300 -0.372 0.000 1.148 368 P CA 1.384 64.326 63.100 -0.264 0.000 0.828 368 P CB 0.180 31.660 31.700 -0.368 0.000 0.783 369 Y N 1.126 121.445 120.300 0.033 0.000 2.749 369 Y HA 0.251 4.801 4.550 -0.000 0.000 0.343 369 Y C 0.058 175.981 175.900 0.038 0.000 1.015 369 Y CA -1.541 56.578 58.100 0.032 0.000 1.270 369 Y CB 0.471 38.950 38.460 0.032 0.000 1.097 369 Y HN -0.071 nan 8.280 nan 0.000 0.571 370 D N 0.887 121.370 120.400 0.138 0.000 2.456 370 D HA 0.319 4.959 4.640 -0.000 0.000 0.287 370 D C 0.497 176.839 176.300 0.070 0.000 1.186 370 D CA -0.256 53.799 54.000 0.092 0.000 0.916 370 D CB 0.605 41.423 40.800 0.030 0.000 1.029 370 D HN 0.575 nan 8.370 nan 0.000 0.498 371 G N 1.410 110.265 108.800 0.092 0.000 2.508 371 G HA2 0.388 4.348 3.960 -0.000 0.000 0.278 371 G HA3 0.388 4.348 3.960 -0.000 0.000 0.278 371 G C -2.210 172.726 174.900 0.060 0.000 1.389 371 G CA -1.315 43.829 45.100 0.073 0.000 1.050 371 G HN 0.261 nan 8.290 nan 0.000 0.522 372 P HA 0.076 nan 4.420 nan 0.000 0.259 372 P C 0.083 177.421 177.300 0.063 0.000 1.211 372 P CA 0.143 63.265 63.100 0.038 0.000 0.810 372 P CB 0.616 32.329 31.700 0.020 0.000 0.815 373 S N 4.717 120.453 115.700 0.060 0.000 2.537 373 S HA 0.180 4.650 4.470 -0.000 0.000 0.286 373 S C 0.977 175.641 174.600 0.106 0.000 1.299 373 S CA -0.457 57.803 58.200 0.101 0.000 1.067 373 S CB -0.070 63.189 63.200 0.098 0.000 0.864 373 S HN 0.180 nan 8.310 nan 0.000 0.494 374 M N 3.017 122.704 119.600 0.146 0.000 2.295 374 M HA 0.186 4.666 4.480 -0.000 0.000 0.210 374 M C 1.964 178.380 176.300 0.192 0.000 1.480 374 M CA 0.439 55.837 55.300 0.165 0.000 1.861 374 M CB -1.749 30.995 32.600 0.240 0.000 1.099 374 M HN 0.967 nan 8.290 nan 0.000 0.897 375 H N 0.835 119.948 119.070 0.071 0.000 2.555 375 H HA 0.153 4.709 4.556 -0.000 0.000 0.269 375 H C -0.371 174.997 175.328 0.067 0.000 0.988 375 H CA 0.624 56.709 56.048 0.062 0.000 1.178 375 H CB -0.089 29.695 29.762 0.037 0.000 1.373 375 H HN 0.616 nan 8.280 nan 0.000 0.588 376 E N -0.132 119.848 120.200 -0.368 0.000 2.445 376 E HA 0.500 4.850 4.350 -0.000 0.000 0.279 376 E C -1.370 175.195 176.600 -0.058 0.000 1.018 376 E CA -1.196 54.989 56.400 -0.358 0.000 0.816 376 E CB 1.957 31.280 29.700 -0.627 0.000 1.356 376 E HN 0.118 nan 8.360 nan 0.000 0.462 377 F N -1.734 118.162 119.950 -0.090 0.000 2.686 377 F HA 0.717 5.244 4.527 -0.000 0.000 0.311 377 F C -1.834 173.958 175.800 -0.013 0.000 1.128 377 F CA -1.240 56.743 58.000 -0.028 0.000 0.946 377 F CB 1.337 40.332 39.000 -0.008 0.000 1.336 377 F HN 0.224 nan 8.300 nan 0.000 0.457 378 V N 2.335 122.392 119.914 0.239 0.000 2.376 378 V HA 0.804 4.924 4.120 -0.000 0.000 0.287 378 V C 0.082 176.318 176.094 0.236 0.000 1.015 378 V CA -0.352 62.029 62.300 0.135 0.000 0.834 378 V CB 0.547 32.430 31.823 0.099 0.000 1.001 378 V HN 1.198 nan 8.190 nan 0.000 0.428 379 A N 4.806 127.763 122.820 0.228 0.000 2.269 379 A HA 0.897 5.217 4.320 -0.000 0.000 0.327 379 A C -0.481 177.186 177.584 0.139 0.000 1.112 379 A CA -0.634 51.538 52.037 0.224 0.000 0.865 379 A CB 1.347 20.524 19.000 0.295 0.000 1.227 379 A HN 0.740 nan 8.150 nan 0.000 0.498 380 Q N 0.332 120.225 119.800 0.155 0.000 2.372 380 Q HA 0.453 4.793 4.340 -0.000 0.000 0.273 380 Q C -2.689 173.422 176.000 0.185 0.000 1.078 380 Q CA -1.973 53.902 55.803 0.119 0.000 0.806 380 Q CB 2.942 31.719 28.738 0.065 0.000 1.332 380 Q HN 0.582 nan 8.270 nan 0.000 0.435 381 P HA 0.169 nan 4.420 nan 0.000 0.274 381 P C -2.604 174.668 177.300 -0.047 0.000 1.246 381 P CA -1.423 61.710 63.100 0.055 0.000 0.795 381 P CB 0.062 31.832 31.700 0.118 0.000 1.006 382 P HA -0.019 nan 4.420 nan 0.000 0.269 382 P C 0.141 177.521 177.300 0.135 0.000 1.215 382 P CA 0.255 63.316 63.100 -0.066 0.000 0.780 382 P CB 0.231 31.837 31.700 -0.157 0.000 0.898 383 E N 1.126 121.381 120.200 0.091 0.000 2.608 383 E HA 0.024 4.374 4.350 -0.000 0.000 0.259 383 E C 1.168 177.831 176.600 0.105 0.000 0.951 383 E CA 0.726 57.178 56.400 0.086 0.000 0.945 383 E CB -0.875 28.847 29.700 0.037 0.000 0.916 383 E HN 0.860 nan 8.360 nan 0.000 0.477 384 G N 2.178 111.002 108.800 0.039 0.000 2.232 384 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.226 384 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.226 384 G C -0.222 174.529 174.900 -0.248 0.000 0.996 384 G CA -0.124 44.901 45.100 -0.124 0.000 0.626 384 G HN 0.403 nan 8.290 nan 0.000 0.509 385 F N 1.679 121.631 119.950 0.003 0.000 2.443 385 F HA 0.745 5.272 4.527 -0.000 0.000 0.335 385 F C 0.911 176.740 175.800 0.047 0.000 1.104 385 F CA -0.862 57.151 58.000 0.022 0.000 1.013 385 F CB 1.381 40.381 39.000 0.000 0.000 1.136 385 F HN -0.073 nan 8.300 nan 0.000 0.470 386 R N 1.164 121.802 120.500 0.231 0.000 2.404 386 R HA 0.545 4.885 4.340 -0.000 0.000 0.291 386 R C 0.866 177.284 176.300 0.196 0.000 1.025 386 R CA -0.283 55.940 56.100 0.205 0.000 0.991 386 R CB 1.250 31.660 30.300 0.183 0.000 1.053 386 R HN 0.863 nan 8.270 nan 0.000 0.479 387 A N 3.099 125.997 122.820 0.131 0.000 1.933 387 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 387 A C 1.858 179.480 177.584 0.063 0.000 1.175 387 A CA 1.252 53.277 52.037 -0.019 0.000 0.628 387 A CB -0.394 18.355 19.000 -0.418 0.000 0.814 387 A HN 0.676 nan 8.150 nan 0.000 0.444 388 L N 0.248 121.619 121.223 0.247 0.000 2.017 388 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 388 L C 1.695 178.641 176.870 0.127 0.000 1.073 388 L CA 2.607 57.597 54.840 0.251 0.000 0.745 388 L CB -0.660 41.568 42.059 0.281 0.000 0.894 388 L HN 0.371 nan 8.230 nan 0.000 0.432 389 D N -0.514 119.963 120.400 0.130 0.000 2.144 389 D HA -0.175 4.465 4.640 -0.000 0.000 0.199 389 D C 2.323 178.693 176.300 0.116 0.000 0.984 389 D CA 1.582 55.644 54.000 0.104 0.000 0.834 389 D CB -0.102 40.779 40.800 0.134 0.000 0.955 389 D HN 0.406 nan 8.370 nan 0.000 0.465 390 L N 0.785 122.090 121.223 0.136 0.000 2.093 390 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 390 L C 2.633 179.538 176.870 0.057 0.000 1.085 390 L CA 0.823 55.735 54.840 0.119 0.000 0.755 390 L CB -0.409 41.723 42.059 0.120 0.000 0.904 390 L HN -0.039 nan 8.230 nan 0.000 0.435 391 A N 0.154 122.994 122.820 0.033 0.000 1.877 391 A HA -0.186 4.134 4.320 -0.000 0.000 0.216 391 A C 2.282 179.847 177.584 -0.030 0.000 1.186 391 A CA 1.466 53.497 52.037 -0.010 0.000 0.620 391 A CB -0.280 18.716 19.000 -0.007 0.000 0.822 391 A HN 0.189 nan 8.150 nan 0.000 0.443 392 K N -0.288 120.096 120.400 -0.026 0.000 2.148 392 K HA -0.072 4.248 4.320 -0.000 0.000 0.204 392 K C 2.021 178.587 176.600 -0.057 0.000 1.050 392 K CA 1.171 57.413 56.287 -0.076 0.000 0.942 392 K CB -1.084 31.348 32.500 -0.114 0.000 0.724 392 K HN 0.482 nan 8.250 nan 0.000 0.446 393 G N 1.325 110.145 108.800 0.032 0.000 2.402 393 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.216 393 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.216 393 G C 1.679 176.693 174.900 0.189 0.000 1.162 393 G CA 0.300 45.505 45.100 0.175 0.000 0.777 393 G HN 0.159 nan 8.290 nan 0.000 0.539 394 L N -0.329 120.956 121.223 0.103 0.000 2.046 394 L HA -0.063 4.277 4.340 -0.000 0.000 0.208 394 L C 2.780 179.737 176.870 0.146 0.000 1.077 394 L CA 0.296 55.211 54.840 0.125 0.000 0.747 394 L CB -0.377 41.715 42.059 0.054 0.000 0.896 394 L HN 0.131 nan 8.230 nan 0.000 0.432 395 L N -0.129 121.115 121.223 0.035 0.000 2.042 395 L HA -0.243 4.097 4.340 -0.000 0.000 0.210 395 L C 2.572 179.467 176.870 0.041 0.000 1.076 395 L CA 1.685 56.520 54.840 -0.008 0.000 0.749 395 L CB -0.821 41.189 42.059 -0.083 0.000 0.893 395 L HN 0.239 nan 8.230 nan 0.000 0.432 396 E N -0.608 119.635 120.200 0.072 0.000 2.150 396 E HA -0.166 4.184 4.350 -0.000 0.000 0.193 396 E C 1.802 178.525 176.600 0.206 0.000 0.985 396 E CA 0.961 57.443 56.400 0.137 0.000 0.814 396 E CB -0.147 29.659 29.700 0.176 0.000 0.752 396 E HN 0.224 nan 8.360 nan 0.000 0.466 397 L N -0.643 120.725 121.223 0.242 0.000 2.599 397 L HA 0.288 4.628 4.340 -0.000 0.000 0.230 397 L C 1.574 178.512 176.870 0.114 0.000 1.141 397 L CA 1.123 56.113 54.840 0.250 0.000 0.877 397 L CB -0.245 42.036 42.059 0.370 0.000 1.009 397 L HN 0.359 nan 8.230 nan 0.000 0.447 398 G N -2.053 106.775 108.800 0.047 0.000 2.157 398 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.248 398 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.248 398 G C 0.292 175.063 174.900 -0.216 0.000 0.979 398 G CA -0.063 44.971 45.100 -0.111 0.000 0.650 398 G HN 0.203 nan 8.290 nan 0.000 0.529 399 F N -0.100 119.900 119.950 0.084 0.000 2.518 399 F HA 0.760 5.287 4.527 -0.000 0.000 0.338 399 F C 0.696 176.532 175.800 0.060 0.000 1.065 399 F CA -0.960 57.122 58.000 0.135 0.000 1.012 399 F CB 1.200 40.327 39.000 0.212 0.000 1.297 399 F HN 0.054 nan 8.300 nan 0.000 0.489 400 H N 2.412 121.593 119.070 0.184 0.000 2.495 400 H HA 0.369 4.925 4.556 -0.000 0.000 0.348 400 H C -2.726 172.592 175.328 -0.016 0.000 1.113 400 H CA -2.202 53.784 56.048 -0.104 0.000 1.195 400 H CB 2.283 31.716 29.762 -0.547 0.000 1.521 400 H HN 0.228 nan 8.280 nan 0.000 0.509 401 P HA 0.174 nan 4.420 nan 0.000 0.275 401 P C -2.740 174.610 177.300 0.085 0.000 1.266 401 P CA -1.217 61.919 63.100 0.060 0.000 0.793 401 P CB 0.981 32.648 31.700 -0.054 0.000 1.074 402 P HA 0.128 nan 4.420 nan 0.000 0.312 402 P C -0.247 177.043 177.300 -0.017 0.000 1.308 402 P CA -0.106 62.950 63.100 -0.075 0.000 0.743 402 P CB 0.006 31.631 31.700 -0.125 0.000 1.364 403 T N 0.236 114.769 114.554 -0.035 0.000 2.884 403 T HA 0.328 4.678 4.350 -0.000 0.000 0.298 403 T C 0.130 174.837 174.700 0.012 0.000 0.998 403 T CA -0.166 61.947 62.100 0.022 0.000 1.124 403 T CB -0.115 68.776 68.868 0.039 0.000 0.931 403 T HN 0.272 nan 8.240 nan 0.000 0.531 404 V N 2.174 122.113 119.914 0.042 0.000 2.581 404 V HA 0.540 4.660 4.120 -0.000 0.000 0.303 404 V C -0.598 175.544 176.094 0.081 0.000 1.041 404 V CA -1.092 61.175 62.300 -0.056 0.000 0.907 404 V CB 0.616 32.391 31.823 -0.080 0.000 0.994 404 V HN 0.912 nan 8.190 nan 0.000 0.442 405 Y N 1.596 121.961 120.300 0.110 0.000 3.790 405 Y HA -0.149 4.401 4.550 -0.000 0.000 0.226 405 Y C -0.437 175.579 175.900 0.193 0.000 1.257 405 Y CA 1.417 59.587 58.100 0.117 0.000 1.765 405 Y CB -2.087 36.432 38.460 0.098 0.000 1.552 405 Y HN 0.870 nan 8.280 nan 0.000 0.650 406 F N 0.870 120.870 119.950 0.084 0.000 2.635 406 F HA 0.620 5.147 4.527 -0.000 0.000 0.314 406 F C -2.644 173.179 175.800 0.039 0.000 1.119 406 F CA -2.301 55.743 58.000 0.073 0.000 1.000 406 F CB 1.832 40.878 39.000 0.078 0.000 1.278 406 F HN -0.262 nan 8.300 nan 0.000 0.446 407 P HA 0.124 nan 4.420 nan 0.000 0.271 407 P C 0.642 177.603 177.300 -0.565 0.000 1.233 407 P CA -0.069 62.260 63.100 -1.284 0.000 0.789 407 P CB 1.115 32.366 31.700 -0.749 0.000 0.951 408 L N 0.855 121.778 121.223 -0.499 0.000 2.465 408 L HA -0.020 4.320 4.340 -0.000 0.000 0.224 408 L C 1.979 178.810 176.870 -0.065 0.000 1.145 408 L CA 0.839 55.595 54.840 -0.140 0.000 0.834 408 L CB -0.791 41.232 42.059 -0.061 0.000 0.944 408 L HN 0.391 nan 8.230 nan 0.000 0.451 409 I N -2.920 117.597 120.570 -0.089 0.000 3.749 409 I HA 0.149 4.319 4.170 -0.000 0.000 0.314 409 I C -0.128 176.036 176.117 0.079 0.000 1.278 409 I CA 0.054 61.358 61.300 0.007 0.000 1.158 409 I CB -0.037 37.967 38.000 0.007 0.000 1.018 409 I HN -0.169 nan 8.210 nan 0.000 0.435 410 V N 1.239 121.183 119.914 0.050 0.000 2.567 410 V HA 0.303 4.423 4.120 -0.000 0.000 0.298 410 V C -0.150 175.983 176.094 0.065 0.000 1.047 410 V CA -0.774 61.568 62.300 0.071 0.000 0.880 410 V CB 1.785 33.656 31.823 0.080 0.000 1.009 410 V HN 0.138 nan 8.190 nan 0.000 0.429 411 K N 3.292 123.732 120.400 0.068 0.000 2.382 411 K HA 0.282 4.602 4.320 -0.000 0.000 0.275 411 K C 0.681 177.331 176.600 0.083 0.000 1.009 411 K CA 0.405 56.751 56.287 0.098 0.000 0.970 411 K CB 0.150 32.699 32.500 0.080 0.000 0.934 411 K HN 0.641 nan 8.250 nan 0.000 0.479 412 E N -0.459 119.818 120.200 0.129 0.000 2.360 412 E HA -0.255 4.095 4.350 -0.000 0.000 0.238 412 E C -0.772 175.720 176.600 -0.180 0.000 1.186 412 E CA 1.026 57.398 56.400 -0.047 0.000 0.719 412 E CB -2.069 27.663 29.700 0.054 0.000 1.236 412 E HN 0.639 nan 8.360 nan 0.000 0.386 413 A N 0.507 123.223 122.820 -0.173 0.000 2.540 413 A HA 0.311 4.631 4.320 -0.000 0.000 0.239 413 A C 0.655 178.136 177.584 -0.171 0.000 1.061 413 A CA 0.323 52.293 52.037 -0.111 0.000 0.758 413 A CB 0.292 19.268 19.000 -0.040 0.000 0.991 413 A HN 0.295 nan 8.150 nan 0.000 0.502 414 L N 3.670 124.843 121.223 -0.082 0.000 2.433 414 L HA 0.299 4.639 4.340 -0.000 0.000 0.256 414 L C 0.077 176.879 176.870 -0.114 0.000 1.063 414 L CA 0.011 54.796 54.840 -0.092 0.000 0.922 414 L CB 0.874 42.901 42.059 -0.053 0.000 1.238 414 L HN 0.866 nan 8.230 nan 0.000 0.466 415 M N 3.932 123.467 119.600 -0.108 0.000 2.193 415 M HA 0.330 4.810 4.480 -0.000 0.000 0.342 415 M C -1.174 174.961 176.300 -0.274 0.000 1.413 415 M CA -0.260 54.949 55.300 -0.151 0.000 1.191 415 M CB 0.505 33.100 32.600 -0.008 0.000 1.633 415 M HN 0.196 nan 8.290 nan 0.000 0.458 416 V N 5.376 124.962 119.914 -0.547 0.000 2.370 416 V HA 0.394 4.514 4.120 -0.000 0.000 0.283 416 V C -0.342 175.398 176.094 -0.589 0.000 1.023 416 V CA -0.552 61.361 62.300 -0.645 0.000 0.857 416 V CB 1.387 32.650 31.823 -0.934 0.000 0.985 416 V HN 0.820 nan 8.190 nan 0.000 0.443 417 E N 7.908 127.890 120.200 -0.362 0.000 2.325 417 E HA 0.382 4.732 4.350 -0.000 0.000 0.248 417 E C -2.206 174.319 176.600 -0.124 0.000 0.912 417 E CA -1.693 54.567 56.400 -0.233 0.000 0.782 417 E CB 2.647 32.232 29.700 -0.192 0.000 1.264 417 E HN 0.431 nan 8.360 nan 0.000 0.417 418 P HA -0.054 nan 4.420 nan 0.000 0.235 418 P C 0.006 177.428 177.300 0.204 0.000 1.177 418 P CA 0.916 64.144 63.100 0.213 0.000 0.785 418 P CB -0.054 31.849 31.700 0.338 0.000 0.885 419 T N -0.882 113.746 114.554 0.124 0.000 0.541 419 T HA -0.153 4.197 4.350 -0.000 0.000 0.774 419 T C 0.998 175.761 174.700 0.106 0.000 0.992 419 T CA 0.579 62.747 62.100 0.114 0.000 4.077 419 T CB -1.305 67.624 68.868 0.102 0.000 2.303 419 T HN 0.375 nan 8.240 nan 0.000 0.398 420 E N 0.694 120.948 120.200 0.090 0.000 2.347 420 E HA -0.088 4.262 4.350 -0.000 0.000 0.196 420 E C 1.705 178.342 176.600 0.062 0.000 1.008 420 E CA 1.717 58.161 56.400 0.073 0.000 0.852 420 E CB -0.857 28.889 29.700 0.076 0.000 0.783 420 E HN 1.081 nan 8.360 nan 0.000 0.505 421 T N -0.981 113.622 114.554 0.080 0.000 3.148 421 T HA 0.075 4.425 4.350 -0.000 0.000 0.253 421 T C 0.497 175.210 174.700 0.022 0.000 1.134 421 T CA -0.125 62.016 62.100 0.068 0.000 1.051 421 T CB 0.106 69.051 68.868 0.128 0.000 0.959 421 T HN -0.058 nan 8.240 nan 0.000 0.525 422 E N 1.552 121.756 120.200 0.007 0.000 2.216 422 E HA 0.640 4.990 4.350 -0.000 0.000 0.279 422 E C -0.204 176.324 176.600 -0.120 0.000 0.997 422 E CA -0.471 55.874 56.400 -0.092 0.000 0.817 422 E CB 1.696 31.283 29.700 -0.188 0.000 1.096 422 E HN 0.428 nan 8.360 nan 0.000 0.393 423 A N 2.458 125.192 122.820 -0.144 0.000 2.322 423 A HA 0.099 4.419 4.320 -0.000 0.000 0.269 423 A C 1.359 178.875 177.584 -0.114 0.000 1.094 423 A CA -0.189 51.781 52.037 -0.112 0.000 0.807 423 A CB 0.485 19.432 19.000 -0.088 0.000 1.047 423 A HN 0.722 nan 8.150 nan 0.000 0.487 424 K N 0.499 120.845 120.400 -0.089 0.000 2.074 424 K HA -0.218 4.102 4.320 -0.000 0.000 0.209 424 K C 1.763 178.366 176.600 0.005 0.000 1.048 424 K CA 2.118 58.365 56.287 -0.066 0.000 0.926 424 K CB -0.073 32.350 32.500 -0.128 0.000 0.713 424 K HN 0.857 nan 8.250 nan 0.000 0.444 425 E N -0.232 119.960 120.200 -0.014 0.000 2.153 425 E HA -0.157 4.193 4.350 -0.000 0.000 0.194 425 E C 1.630 178.240 176.600 0.017 0.000 0.988 425 E CA 1.613 58.022 56.400 0.016 0.000 0.811 425 E CB -0.569 29.135 29.700 0.008 0.000 0.746 425 E HN 0.249 nan 8.360 nan 0.000 0.466 426 T N 2.191 116.712 114.554 -0.056 0.000 2.777 426 T HA -0.005 4.345 4.350 -0.000 0.000 0.266 426 T C 2.109 176.727 174.700 -0.137 0.000 1.040 426 T CA 1.175 63.207 62.100 -0.114 0.000 1.141 426 T CB -0.194 68.474 68.868 -0.333 0.000 0.868 426 T HN 0.113 nan 8.240 nan 0.000 0.444 427 L N 0.739 121.875 121.223 -0.145 0.000 2.017 427 L HA -0.105 4.235 4.340 -0.000 0.000 0.208 427 L C 2.692 179.646 176.870 0.141 0.000 1.073 427 L CA 1.508 56.352 54.840 0.006 0.000 0.745 427 L CB -0.669 41.463 42.059 0.123 0.000 0.894 427 L HN 0.324 nan 8.230 nan 0.000 0.432 428 E N 0.482 120.756 120.200 0.122 0.000 2.077 428 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 428 E C 2.341 178.984 176.600 0.071 0.000 0.989 428 E CA 1.157 57.614 56.400 0.095 0.000 0.800 428 E CB -0.238 29.525 29.700 0.105 0.000 0.746 428 E HN 0.494 nan 8.360 nan 0.000 0.452 429 A N 0.998 123.882 122.820 0.107 0.000 1.933 429 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 429 A C 1.978 179.543 177.584 -0.032 0.000 1.175 429 A CA 1.098 53.221 52.037 0.143 0.000 0.628 429 A CB -0.669 18.512 19.000 0.302 0.000 0.814 429 A HN 0.329 nan 8.150 nan 0.000 0.444 430 F N 0.863 120.676 119.950 -0.228 0.000 2.113 430 F HA 0.006 4.533 4.527 -0.000 0.000 0.297 430 F C 2.507 178.106 175.800 -0.335 0.000 1.103 430 F CA 1.229 58.923 58.000 -0.510 0.000 1.248 430 F CB -0.422 38.548 39.000 -0.050 0.000 0.999 430 F HN 0.235 nan 8.300 nan 0.000 0.475 431 A N -0.243 122.545 122.820 -0.054 0.000 1.933 431 A HA -0.219 4.101 4.320 -0.000 0.000 0.218 431 A C 2.029 179.497 177.584 -0.194 0.000 1.175 431 A CA 1.825 53.780 52.037 -0.137 0.000 0.628 431 A CB -0.897 18.086 19.000 -0.027 0.000 0.814 431 A HN 0.451 nan 8.150 nan 0.000 0.444 432 E N 0.125 120.238 120.200 -0.145 0.000 2.153 432 E HA -0.060 4.290 4.350 -0.000 0.000 0.194 432 E C 2.002 178.509 176.600 -0.155 0.000 0.988 432 E CA 1.385 57.722 56.400 -0.106 0.000 0.811 432 E CB -0.394 29.284 29.700 -0.038 0.000 0.746 432 E HN 0.513 nan 8.360 nan 0.000 0.466 433 A N 0.007 122.647 122.820 -0.300 0.000 1.897 433 A HA -0.095 4.225 4.320 -0.000 0.000 0.215 433 A C 2.145 179.548 177.584 -0.302 0.000 1.181 433 A CA 1.368 53.222 52.037 -0.304 0.000 0.620 433 A CB -0.331 18.324 19.000 -0.575 0.000 0.821 433 A HN 0.225 nan 8.150 nan 0.000 0.443 434 M N -0.428 118.900 119.600 -0.453 0.000 2.229 434 M HA -0.095 4.385 4.480 -0.000 0.000 0.264 434 M C 2.251 178.546 176.300 -0.008 0.000 1.063 434 M CA 1.454 56.567 55.300 -0.311 0.000 1.114 434 M CB -1.208 31.043 32.600 -0.582 0.000 1.387 434 M HN 0.515 nan 8.290 nan 0.000 0.420 435 G N 0.081 108.849 108.800 -0.053 0.000 2.414 435 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.215 435 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.215 435 G C 1.657 176.511 174.900 -0.077 0.000 1.188 435 G CA 0.993 46.078 45.100 -0.025 0.000 0.783 435 G HN 0.515 nan 8.290 nan 0.000 0.537 436 A N 0.673 123.442 122.820 -0.084 0.000 1.940 436 A HA 0.040 4.360 4.320 -0.000 0.000 0.219 436 A C 2.424 179.950 177.584 -0.097 0.000 1.176 436 A CA 1.325 53.309 52.037 -0.089 0.000 0.631 436 A CB -0.456 18.497 19.000 -0.078 0.000 0.814 436 A HN 0.358 nan 8.150 nan 0.000 0.446 437 L N -0.602 120.578 121.223 -0.071 0.000 2.127 437 L HA -0.172 4.168 4.340 -0.000 0.000 0.211 437 L C 2.184 179.024 176.870 -0.050 0.000 1.089 437 L CA 0.846 55.675 54.840 -0.018 0.000 0.757 437 L CB -0.506 41.581 42.059 0.048 0.000 0.899 437 L HN 0.389 nan 8.230 nan 0.000 0.434 438 L N -0.530 120.577 121.223 -0.193 0.000 2.456 438 L HA -0.159 4.181 4.340 -0.000 0.000 0.224 438 L C 2.068 178.875 176.870 -0.106 0.000 1.148 438 L CA 0.979 55.566 54.840 -0.421 0.000 0.825 438 L CB -0.334 41.379 42.059 -0.577 0.000 0.937 438 L HN 0.260 nan 8.230 nan 0.000 0.450 439 K N -0.695 119.673 120.400 -0.055 0.000 2.354 439 K HA 0.073 4.393 4.320 -0.000 0.000 0.194 439 K C 0.471 177.064 176.600 -0.012 0.000 1.045 439 K CA -0.163 56.113 56.287 -0.019 0.000 1.026 439 K CB 0.449 32.910 32.500 -0.064 0.000 0.866 439 K HN -0.048 nan 8.250 nan 0.000 0.530 440 K N 2.381 122.764 120.400 -0.028 0.000 2.295 440 K HA 0.087 4.407 4.320 -0.000 0.000 0.270 440 K C -2.402 174.262 176.600 0.107 0.000 1.011 440 K CA -1.846 54.393 56.287 -0.080 0.000 0.953 440 K CB 0.190 32.569 32.500 -0.202 0.000 0.956 440 K HN -0.066 nan 8.250 nan 0.000 0.477 441 P HA 0.014 nan 4.420 nan 0.000 0.269 441 P C -0.439 176.984 177.300 0.205 0.000 1.215 441 P CA -0.069 63.113 63.100 0.137 0.000 0.780 441 P CB 0.767 32.536 31.700 0.114 0.000 0.898 442 K N 1.137 121.604 120.400 0.110 0.000 2.074 442 K HA -0.227 4.093 4.320 -0.000 0.000 0.209 442 K C 2.090 178.768 176.600 0.131 0.000 1.048 442 K CA 1.963 58.295 56.287 0.075 0.000 0.926 442 K CB -0.228 32.258 32.500 -0.023 0.000 0.713 442 K HN 0.567 nan 8.250 nan 0.000 0.444 443 E N -0.164 120.120 120.200 0.140 0.000 2.077 443 E HA -0.219 4.131 4.350 -0.000 0.000 0.193 443 E C 1.819 178.557 176.600 0.229 0.000 0.989 443 E CA 1.097 57.584 56.400 0.146 0.000 0.800 443 E CB -0.138 29.635 29.700 0.122 0.000 0.746 443 E HN 0.450 nan 8.360 nan 0.000 0.452 444 W N 0.416 121.791 121.300 0.125 0.000 2.363 444 W HA -0.194 4.466 4.660 0.000 0.000 0.296 444 W C 1.757 178.429 176.519 0.256 0.000 1.212 444 W CA 0.854 58.327 57.345 0.212 0.000 1.260 444 W CB -0.100 29.438 29.460 0.130 0.000 1.131 444 W HN 0.169 nan 8.180 nan 0.000 0.530 445 L N 0.765 122.254 121.223 0.443 0.000 2.044 445 L HA -0.121 4.219 4.340 -0.000 0.000 0.205 445 L C 2.196 179.095 176.870 0.048 0.000 1.075 445 L CA 2.022 57.033 54.840 0.285 0.000 0.747 445 L CB -1.262 41.005 42.059 0.347 0.000 0.903 445 L HN 0.029 nan 8.230 nan 0.000 0.435 446 E N -0.869 119.366 120.200 0.058 0.000 2.338 446 E HA -0.109 4.241 4.350 -0.000 0.000 0.197 446 E C 0.777 177.329 176.600 -0.080 0.000 1.007 446 E CA 0.601 57.000 56.400 -0.002 0.000 0.849 446 E CB -0.055 29.657 29.700 0.020 0.000 0.774 446 E HN 0.482 nan 8.360 nan 0.000 0.506 447 N N 0.188 118.809 118.700 -0.131 0.000 2.204 447 N HA 0.152 4.892 4.740 -0.000 0.000 0.219 447 N C -0.425 174.614 175.510 -0.786 0.000 1.151 447 N CA 0.016 52.916 53.050 -0.250 0.000 0.867 447 N CB 1.063 39.541 38.487 -0.015 0.000 1.043 447 N HN -0.010 nan 8.380 nan 0.000 0.516 448 A N 1.810 124.150 122.820 -0.800 0.000 2.302 448 A HA 0.605 4.925 4.320 -0.000 0.000 0.285 448 A C -2.275 174.946 177.584 -0.605 0.000 1.105 448 A CA -1.088 50.301 52.037 -1.079 0.000 0.816 448 A CB 0.483 19.010 19.000 -0.788 0.000 1.067 448 A HN -0.078 nan 8.150 nan 0.000 0.489 449 P HA 0.414 nan 4.420 nan 0.000 0.279 449 P C -0.575 176.282 177.300 -0.738 0.000 1.282 449 P CA 0.125 62.902 63.100 -0.538 0.000 0.788 449 P CB 0.327 31.887 31.700 -0.233 0.000 1.139 450 Y N -2.347 117.858 120.300 -0.158 0.000 2.572 450 Y HA 0.133 4.683 4.550 -0.000 0.000 0.274 450 Y C 1.902 177.773 175.900 -0.047 0.000 1.135 450 Y CA 0.450 58.484 58.100 -0.110 0.000 1.230 450 Y CB -0.214 38.175 38.460 -0.118 0.000 1.293 450 Y HN 0.128 nan 8.280 nan 0.000 0.501 451 S N -0.464 115.309 115.700 0.121 0.000 2.524 451 S HA 0.046 4.516 4.470 -0.000 0.000 0.215 451 S C 0.853 175.474 174.600 0.035 0.000 0.986 451 S CA 0.200 58.448 58.200 0.080 0.000 0.911 451 S CB -0.406 62.851 63.200 0.095 0.000 0.805 451 S HN 0.405 nan 8.310 nan 0.000 0.501 452 T N 1.310 115.867 114.554 0.005 0.000 2.802 452 T HA 0.194 4.544 4.350 -0.000 0.000 0.305 452 T C -1.765 172.929 174.700 -0.010 0.000 1.053 452 T CA -1.075 61.019 62.100 -0.012 0.000 1.058 452 T CB -0.255 68.590 68.868 -0.037 0.000 0.988 452 T HN -0.147 nan 8.240 nan 0.000 0.539 453 P HA -0.031 nan 4.420 nan 0.000 0.217 453 P C 0.360 177.658 177.300 -0.004 0.000 1.151 453 P CA 1.161 64.254 63.100 -0.010 0.000 0.849 453 P CB -0.135 31.547 31.700 -0.030 0.000 0.787 454 V N -6.097 113.807 119.914 -0.016 0.000 3.147 454 V HA 0.519 4.639 4.120 -0.000 0.000 0.306 454 V C -0.274 175.793 176.094 -0.045 0.000 1.209 454 V CA -1.365 60.924 62.300 -0.018 0.000 1.023 454 V CB 2.767 34.584 31.823 -0.010 0.000 1.059 454 V HN -0.223 nan 8.190 nan 0.000 0.435 455 R N 0.612 121.078 120.500 -0.057 0.000 2.603 455 R HA 0.599 4.939 4.340 -0.000 0.000 0.231 455 R C -0.070 176.172 176.300 -0.097 0.000 1.263 455 R CA -1.053 54.982 56.100 -0.107 0.000 1.102 455 R CB 0.539 30.762 30.300 -0.128 0.000 1.527 455 R HN 0.722 nan 8.270 nan 0.000 0.554 456 R N 0.944 121.368 120.500 -0.127 0.000 2.619 456 R HA -0.053 4.287 4.340 -0.000 0.000 0.268 456 R C -0.267 175.998 176.300 -0.057 0.000 0.990 456 R CA 0.524 56.569 56.100 -0.093 0.000 1.092 456 R CB -0.116 30.121 30.300 -0.105 0.000 0.935 456 R HN 0.304 nan 8.270 nan 0.000 0.415 457 L N 1.762 122.962 121.223 -0.038 0.000 2.322 457 L HA 0.153 4.493 4.340 -0.000 0.000 0.279 457 L C 0.504 177.366 176.870 -0.014 0.000 1.036 457 L CA -0.790 54.039 54.840 -0.020 0.000 0.807 457 L CB 1.227 43.281 42.059 -0.008 0.000 1.226 457 L HN 0.495 nan 8.230 nan 0.000 0.433 458 D N 2.340 122.737 120.400 -0.005 0.000 2.385 458 D HA -0.036 4.604 4.640 -0.000 0.000 0.260 458 D C 0.926 177.230 176.300 0.006 0.000 1.326 458 D CA 0.444 54.444 54.000 0.001 0.000 1.023 458 D CB 0.655 41.460 40.800 0.009 0.000 1.083 458 D HN 0.530 nan 8.370 nan 0.000 0.517 459 E N 2.040 122.240 120.200 -0.001 0.000 2.106 459 E HA -0.178 4.172 4.350 -0.000 0.000 0.192 459 E C 1.793 178.394 176.600 0.003 0.000 0.984 459 E CA 0.334 56.734 56.400 -0.000 0.000 0.806 459 E CB 0.178 29.873 29.700 -0.009 0.000 0.750 459 E HN 0.393 nan 8.360 nan 0.000 0.458 460 L N 1.634 122.859 121.223 0.003 0.000 2.043 460 L HA -0.231 4.109 4.340 -0.000 0.000 0.212 460 L C 2.331 179.216 176.870 0.024 0.000 1.075 460 L CA 1.835 56.679 54.840 0.006 0.000 0.752 460 L CB -0.422 41.643 42.059 0.011 0.000 0.891 460 L HN -0.030 nan 8.230 nan 0.000 0.432 461 R N -0.558 119.969 120.500 0.046 0.000 2.073 461 R HA -0.143 4.197 4.340 -0.000 0.000 0.234 461 R C 2.111 178.454 176.300 0.071 0.000 1.134 461 R CA 1.426 57.580 56.100 0.090 0.000 0.952 461 R CB -0.442 29.901 30.300 0.073 0.000 0.850 461 R HN 0.499 nan 8.270 nan 0.000 0.433 462 A N 1.058 123.901 122.820 0.039 0.000 2.019 462 A HA -0.138 4.181 4.320 -0.000 0.000 0.219 462 A C 1.719 179.309 177.584 0.010 0.000 1.164 462 A CA 1.457 53.512 52.037 0.029 0.000 0.644 462 A CB -0.382 18.632 19.000 0.022 0.000 0.805 462 A HN 0.439 nan 8.150 nan 0.000 0.449 463 N N -0.882 117.813 118.700 -0.008 0.000 2.387 463 N HA -0.022 4.718 4.740 -0.000 0.000 0.176 463 N C 1.385 176.846 175.510 -0.081 0.000 1.022 463 N CA 0.654 53.684 53.050 -0.033 0.000 0.883 463 N CB -0.039 38.430 38.487 -0.030 0.000 1.019 463 N HN 0.270 nan 8.380 nan 0.000 0.435 464 K N 0.626 120.951 120.400 -0.124 0.000 2.137 464 K HA 0.028 4.348 4.320 -0.000 0.000 0.202 464 K C 0.062 176.312 176.600 -0.584 0.000 1.052 464 K CA 0.918 57.008 56.287 -0.329 0.000 0.961 464 K CB -0.066 32.228 32.500 -0.342 0.000 0.741 464 K HN 0.342 nan 8.250 nan 0.000 0.452 465 H N 0.535 119.603 119.070 -0.002 0.000 2.379 465 H HA 0.195 4.751 4.556 -0.000 0.000 0.229 465 H C -2.453 172.874 175.328 -0.001 0.000 1.423 465 H CA -1.644 54.403 56.048 -0.003 0.000 1.375 465 H CB 0.657 30.416 29.762 -0.005 0.000 1.592 465 H HN 0.020 nan 8.280 nan 0.000 0.507 466 P HA 0.063 nan 4.420 nan 0.000 0.271 466 P C -0.361 176.965 177.300 0.043 0.000 1.220 466 P CA -0.344 62.780 63.100 0.039 0.000 0.768 466 P CB 1.619 33.328 31.700 0.015 0.000 0.848 467 K N 3.547 123.970 120.400 0.039 0.000 2.404 467 K HA 0.217 4.537 4.320 -0.000 0.000 0.257 467 K C 0.259 176.877 176.600 0.030 0.000 1.026 467 K CA -0.648 55.655 56.287 0.027 0.000 0.951 467 K CB 0.380 32.891 32.500 0.018 0.000 1.203 467 K HN 0.145 nan 8.250 nan 0.000 0.446 468 L N 2.505 123.746 121.223 0.029 0.000 2.558 468 L HA 0.095 4.435 4.340 -0.000 0.000 0.225 468 L C 0.866 177.765 176.870 0.048 0.000 1.128 468 L CA 0.615 55.479 54.840 0.039 0.000 0.868 468 L CB -0.246 41.835 42.059 0.036 0.000 1.006 468 L HN 0.810 nan 8.230 nan 0.000 0.454 469 T N -7.060 107.514 114.554 0.033 0.000 2.802 469 T HA 0.199 4.549 4.350 -0.000 0.000 0.311 469 T C 0.525 175.196 174.700 -0.047 0.000 1.405 469 T CA -0.565 61.551 62.100 0.027 0.000 1.016 469 T CB 0.609 69.509 68.868 0.053 0.000 1.352 469 T HN -0.062 nan 8.240 nan 0.000 0.498 470 Y N 1.144 121.241 120.300 -0.338 0.000 2.207 470 Y HA 0.056 4.606 4.550 -0.000 0.000 0.287 470 Y C 1.331 176.849 175.900 -0.635 0.000 1.156 470 Y CA 1.253 59.011 58.100 -0.571 0.000 1.182 470 Y CB -0.395 37.424 38.460 -1.068 0.000 0.979 470 Y HN 0.666 nan 8.280 nan 0.000 0.521 471 F N 0.216 120.036 119.950 -0.217 0.000 2.743 471 F HA 0.096 4.623 4.527 -0.000 0.000 0.297 471 F C 0.986 176.686 175.800 -0.167 0.000 1.131 471 F CA 0.786 58.643 58.000 -0.239 0.000 1.426 471 F CB -0.734 38.176 39.000 -0.149 0.000 1.116 471 F HN -0.063 nan 8.300 nan 0.000 0.583 472 D N 1.626 122.015 120.400 -0.018 0.000 2.692 472 D HA -0.218 4.422 4.640 -0.000 0.000 0.233 472 D C -0.090 176.221 176.300 0.018 0.000 1.172 472 D CA 0.312 54.306 54.000 -0.010 0.000 0.636 472 D CB -0.639 40.129 40.800 -0.054 0.000 1.028 472 D HN 0.218 nan 8.370 nan 0.000 0.419 473 E N 0.126 120.354 120.200 0.046 0.000 2.390 473 E HA 0.498 4.848 4.350 -0.000 0.000 0.261 473 E C 1.431 178.042 176.600 0.019 0.000 1.076 473 E CA 0.636 57.054 56.400 0.030 0.000 0.905 473 E CB 0.642 30.360 29.700 0.030 0.000 0.984 473 E HN 0.620 nan 8.360 nan 0.000 0.427 474 G N 0.000 108.806 108.800 0.011 0.000 5.446 474 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 474 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 474 G CA 0.000 45.105 45.100 0.009 0.000 0.502 474 G HN 0.000 nan 8.290 nan 0.000 0.925