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 1mbz_1_B DATA FIRST_RESID 3 DATA SEQUENCE APVLPAAFGF LASARTGGXX XXGPVFATRG SHTDIDTPQG ERSLAATLVH DATA SEQUENCE APSVAPDRAV ARSLTGAPTT AVLAGEIYNR DELLSVLPAG PAPEGDAELV DATA SEQUENCE LRLLERYDLH AFRLVNGRFA TVVRTGDRVL LATDHAGSVP LYTCVAPGEV DATA SEQUENCE RASTEAKALA AHRDPKGFPL ADARRVAGLT GVYQVPAGAV MDIDLGSGTA DATA SEQUENCE VTHRTWTPGL SRRILPEGEA VAAVRAALEK AVAQRVTPGD TPLVVLSGGI DATA SEQUENCE DSSGVAACAH RAAGELDTVS MGTDTSNEFR EARAVVDHLR TRHREITIPT DATA SEQUENCE TELLAQLPYA VWASESVDPD IIEYLLPLTA LYRALDGPER RILTGYGADI DATA SEQUENCE PLGGMHREDR LPALDTVLAH DMATFDGLNE MSPVLSTLAG HWTTHPYWDR DATA SEQUENCE EVLDLLVSLE AGLKRRHGRD KWVLRAAMAD ALPAETVNRP KLXXXXXXXX DATA SEQUENCE TSSFSRLLLD HGVAEDRVHE AKRQVVRELF DLTVGGGRHP SEVDTDDVVR DATA SEQUENCE SVADRT 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 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.574 177.584 -0.016 0.000 1.274 3 A CA 0.000 52.029 52.037 -0.013 0.000 0.836 3 A CB 0.000 18.990 19.000 -0.017 0.000 0.831 4 P HA 0.441 nan 4.420 nan 0.000 0.271 4 P C 0.833 178.115 177.300 -0.031 0.000 1.226 4 P CA 0.023 63.098 63.100 -0.042 0.000 0.765 4 P CB 1.484 33.139 31.700 -0.075 0.000 0.835 5 V N 3.114 123.022 119.914 -0.011 0.000 2.407 5 V HA -0.059 4.061 4.120 0.000 0.000 0.245 5 V C 1.080 177.175 176.094 0.002 0.000 1.041 5 V CA 1.243 63.555 62.300 0.021 0.000 1.040 5 V CB -0.508 31.348 31.823 0.055 0.000 0.671 5 V HN 0.401 nan 8.190 nan 0.000 0.455 6 L N 1.347 122.546 121.223 -0.041 0.000 2.331 6 L HA 0.454 4.794 4.340 0.000 0.000 0.275 6 L C -2.132 174.549 176.870 -0.315 0.000 1.022 6 L CA -1.989 52.773 54.840 -0.129 0.000 0.812 6 L CB 0.873 42.943 42.059 0.018 0.000 1.257 6 L HN 0.054 nan 8.230 nan 0.000 0.435 7 P HA -0.033 nan 4.420 nan 0.000 0.270 7 P C 0.300 177.331 177.300 -0.449 0.000 1.227 7 P CA -0.151 62.629 63.100 -0.532 0.000 0.788 7 P CB 0.740 31.977 31.700 -0.773 0.000 0.926 8 A N 1.511 124.130 122.820 -0.335 0.000 1.917 8 A HA 0.103 4.423 4.320 0.000 0.000 0.219 8 A C 1.182 178.564 177.584 -0.337 0.000 1.182 8 A CA 2.011 53.871 52.037 -0.295 0.000 0.633 8 A CB -0.943 17.924 19.000 -0.223 0.000 0.819 8 A HN 0.833 nan 8.150 nan 0.000 0.448 9 A N -3.163 119.464 122.820 -0.321 0.000 2.520 9 A HA 0.648 4.968 4.320 0.000 0.000 0.298 9 A C -0.057 177.381 177.584 -0.244 0.000 1.051 9 A CA -0.602 51.277 52.037 -0.264 0.000 0.690 9 A CB 0.359 19.310 19.000 -0.083 0.000 1.281 9 A HN 0.122 nan 8.150 nan 0.000 0.402 10 F N 1.353 121.276 119.950 -0.044 0.000 2.219 10 F HA 0.376 4.904 4.527 0.000 0.000 0.294 10 F C 1.684 177.426 175.800 -0.096 0.000 1.086 10 F CA 1.038 59.013 58.000 -0.042 0.000 1.330 10 F CB -0.143 38.844 39.000 -0.022 0.000 1.047 10 F HN 0.814 nan 8.300 nan 0.000 0.495 11 G N -1.647 107.131 108.800 -0.037 0.000 2.782 11 G HA2 0.552 4.512 3.960 0.000 0.000 0.304 11 G HA3 0.552 4.512 3.960 0.000 0.000 0.304 11 G C -1.750 172.996 174.900 -0.256 0.000 1.315 11 G CA -0.253 44.657 45.100 -0.317 0.000 0.791 11 G HN 0.063 nan 8.290 nan 0.000 0.519 12 F N -2.465 117.296 119.950 -0.315 0.000 2.978 12 F HA 0.749 5.276 4.527 0.000 0.000 0.324 12 F C -2.188 173.750 175.800 0.229 0.000 1.157 12 F CA -1.463 56.504 58.000 -0.056 0.000 0.879 12 F CB 1.612 40.610 39.000 -0.004 0.000 1.364 12 F HN 0.635 nan 8.300 nan 0.000 0.465 13 L N 2.051 123.681 121.223 0.679 0.000 2.568 13 L HA 0.840 5.180 4.340 0.000 0.000 0.262 13 L C -1.232 175.861 176.870 0.372 0.000 0.980 13 L CA -0.482 54.648 54.840 0.484 0.000 0.882 13 L CB 1.012 43.249 42.059 0.298 0.000 1.198 13 L HN 1.200 nan 8.230 nan 0.000 0.425 14 A N 2.769 125.822 122.820 0.388 0.000 2.295 14 A HA 0.798 5.119 4.320 0.000 0.000 0.318 14 A C -0.514 177.133 177.584 0.105 0.000 1.134 14 A CA -0.407 51.717 52.037 0.146 0.000 0.827 14 A CB 1.738 20.737 19.000 -0.001 0.000 1.136 14 A HN 0.565 nan 8.150 nan 0.000 0.493 15 S N -0.224 115.504 115.700 0.048 0.000 2.619 15 S HA 0.622 5.092 4.470 0.000 0.000 0.280 15 S C -0.822 173.787 174.600 0.015 0.000 1.150 15 S CA 0.148 58.366 58.200 0.030 0.000 0.978 15 S CB 1.100 64.309 63.200 0.016 0.000 1.041 15 S HN 1.803 nan 8.310 nan 0.000 0.485 16 A N 4.940 127.770 122.820 0.016 0.000 2.399 16 A HA 0.704 5.025 4.320 0.000 0.000 0.327 16 A C -0.181 177.411 177.584 0.013 0.000 1.367 16 A CA -0.634 51.410 52.037 0.012 0.000 0.842 16 A CB 0.364 19.374 19.000 0.015 0.000 1.142 16 A HN 0.772 nan 8.150 nan 0.000 0.495 17 R N 1.494 122.000 120.500 0.010 0.000 2.562 17 R HA 0.494 4.834 4.340 0.000 0.000 0.298 17 R C 0.843 177.150 176.300 0.013 0.000 0.961 17 R CA 0.160 56.267 56.100 0.012 0.000 0.881 17 R CB 1.259 31.564 30.300 0.008 0.000 1.159 17 R HN 0.606 nan 8.270 nan 0.000 0.450 18 T N -0.537 114.027 114.554 0.016 0.000 3.144 18 T HA 0.306 4.656 4.350 0.000 0.000 0.249 18 T C 0.475 175.184 174.700 0.015 0.000 1.089 18 T CA 0.093 62.202 62.100 0.016 0.000 0.989 18 T CB 0.401 69.280 68.868 0.018 0.000 0.992 18 T HN 0.588 nan 8.240 nan 0.000 0.540 19 G N -1.116 107.694 108.800 0.016 0.000 2.524 19 G HA2 0.568 4.528 3.960 0.000 0.000 0.306 19 G HA3 0.568 4.528 3.960 0.000 0.000 0.306 19 G C -0.470 174.441 174.900 0.017 0.000 1.420 19 G CA -0.051 45.059 45.100 0.016 0.000 1.086 19 G HN 0.796 nan 8.290 nan 0.000 0.591 26 P HA 0.435 nan 4.420 nan 0.000 0.269 26 P C -0.447 176.648 177.300 -0.341 0.000 1.209 26 P CA -0.149 62.726 63.100 -0.376 0.000 0.776 26 P CB 2.011 33.325 31.700 -0.644 0.000 0.876 27 V N 3.166 122.815 119.914 -0.441 0.000 2.327 27 V HA 0.292 4.412 4.120 0.000 0.000 0.272 27 V C -0.063 175.904 176.094 -0.213 0.000 1.019 27 V CA -0.433 61.758 62.300 -0.181 0.000 0.814 27 V CB -0.270 31.527 31.823 -0.043 0.000 1.040 27 V HN 0.410 nan 8.190 nan 0.000 0.440 28 F N 1.351 121.346 119.950 0.075 0.000 2.377 28 F HA 0.606 5.133 4.527 0.000 0.000 0.328 28 F C 1.448 177.145 175.800 -0.172 0.000 1.094 28 F CA -0.403 57.551 58.000 -0.076 0.000 1.093 28 F CB 1.787 40.751 39.000 -0.061 0.000 1.214 28 F HN 0.449 nan 8.300 nan 0.000 0.518 29 A N 0.629 123.275 122.820 -0.289 0.000 2.081 29 A HA 0.092 4.412 4.320 0.000 0.000 0.214 29 A C 0.906 178.358 177.584 -0.220 0.000 1.158 29 A CA 0.330 51.871 52.037 -0.826 0.000 0.724 29 A CB -0.586 17.480 19.000 -1.555 0.000 0.826 29 A HN 0.662 nan 8.150 nan 0.000 0.463 30 T N 0.855 115.351 114.554 -0.097 0.000 2.919 30 T HA 0.287 4.637 4.350 0.000 0.000 0.302 30 T C 0.223 174.980 174.700 0.096 0.000 1.031 30 T CA -0.036 62.031 62.100 -0.055 0.000 1.127 30 T CB 0.606 69.399 68.868 -0.125 0.000 0.952 30 T HN 0.415 nan 8.240 nan 0.000 0.540 31 R N 1.264 121.806 120.500 0.070 0.000 2.265 31 R HA 0.582 4.922 4.340 0.000 0.000 0.319 31 R C 0.072 176.487 176.300 0.191 0.000 1.006 31 R CA -0.079 56.103 56.100 0.136 0.000 0.880 31 R CB 0.352 30.703 30.300 0.085 0.000 1.077 31 R HN 0.925 nan 8.270 nan 0.000 0.454 32 G N 1.387 110.304 108.800 0.195 0.000 2.328 32 G HA2 0.059 4.019 3.960 0.000 0.000 0.299 32 G HA3 0.059 4.019 3.960 0.000 0.000 0.299 32 G C -1.377 173.587 174.900 0.107 0.000 1.435 32 G CA -0.816 44.366 45.100 0.137 0.000 0.865 32 G HN 0.610 nan 8.290 nan 0.000 0.601 33 S N -0.473 115.165 115.700 -0.104 0.000 2.593 33 S HA 0.499 4.970 4.470 0.000 0.000 0.269 33 S C -0.194 174.465 174.600 0.099 0.000 1.334 33 S CA -0.313 57.835 58.200 -0.087 0.000 1.015 33 S CB 0.680 63.748 63.200 -0.219 0.000 0.912 33 S HN 0.625 nan 8.310 nan 0.000 0.541 34 H N 0.147 119.213 119.070 -0.007 0.000 2.481 34 H HA 0.452 5.008 4.556 0.000 0.000 0.333 34 H C -0.652 174.748 175.328 0.120 0.000 1.066 34 H CA -0.797 55.312 56.048 0.102 0.000 1.209 34 H CB 1.484 31.323 29.762 0.130 0.000 1.445 34 H HN 0.540 nan 8.280 nan 0.000 0.488 35 T N 3.634 118.357 114.554 0.282 0.000 2.840 35 T HA 0.101 4.451 4.350 0.000 0.000 0.287 35 T C -0.408 174.380 174.700 0.147 0.000 0.991 35 T CA -0.971 61.255 62.100 0.210 0.000 0.964 35 T CB 1.322 70.335 68.868 0.242 0.000 0.954 35 T HN 0.499 nan 8.240 nan 0.000 0.438 36 D N 2.652 123.119 120.400 0.111 0.000 2.304 36 D HA 0.323 4.963 4.640 0.000 0.000 0.247 36 D C 0.746 177.074 176.300 0.046 0.000 1.089 36 D CA -0.445 53.602 54.000 0.079 0.000 0.910 36 D CB 1.028 41.867 40.800 0.066 0.000 1.199 36 D HN 0.602 nan 8.370 nan 0.000 0.426 37 I N -1.617 118.968 120.570 0.025 0.000 2.612 37 I HA 0.278 4.449 4.170 0.000 0.000 0.295 37 I C 0.009 176.125 176.117 -0.002 0.000 1.011 37 I CA -0.790 60.509 61.300 -0.002 0.000 1.326 37 I CB 0.793 38.777 38.000 -0.026 0.000 1.427 37 I HN -0.060 nan 8.210 nan 0.000 0.537 38 D N 3.567 123.961 120.400 -0.009 0.000 2.443 38 D HA 0.095 4.735 4.640 0.000 0.000 0.239 38 D C 0.401 176.696 176.300 -0.009 0.000 1.136 38 D CA 0.413 54.409 54.000 -0.007 0.000 0.879 38 D CB 1.041 41.835 40.800 -0.011 0.000 1.195 38 D HN 0.755 nan 8.370 nan 0.000 0.443 39 T N -0.657 113.894 114.554 -0.004 0.000 3.368 39 T HA 0.263 4.613 4.350 0.000 0.000 0.321 39 T C -1.535 173.161 174.700 -0.005 0.000 1.830 39 T CA -1.353 60.744 62.100 -0.005 0.000 1.494 39 T CB 1.047 69.915 68.868 -0.000 0.000 1.045 39 T HN 0.121 nan 8.240 nan 0.000 0.729 40 P HA -0.265 nan 4.420 nan 0.000 0.209 40 P C 1.176 178.472 177.300 -0.006 0.000 1.167 40 P CA 1.567 64.662 63.100 -0.008 0.000 0.941 40 P CB 0.055 31.748 31.700 -0.012 0.000 0.787 41 Q N 0.958 120.754 119.800 -0.007 0.000 2.294 41 Q HA 0.152 4.493 4.340 0.000 0.000 0.222 41 Q C 1.288 177.287 176.000 -0.002 0.000 0.903 41 Q CA 0.801 56.602 55.803 -0.005 0.000 0.966 41 Q CB -1.371 27.364 28.738 -0.005 0.000 1.091 41 Q HN 0.423 nan 8.270 nan 0.000 0.438 42 G N 2.480 111.279 108.800 -0.001 0.000 2.704 42 G HA2 -0.437 3.523 3.960 0.000 0.000 0.344 42 G HA3 -0.437 3.523 3.960 0.000 0.000 0.344 42 G C 0.847 175.748 174.900 0.002 0.000 1.200 42 G CA 0.710 45.810 45.100 0.001 0.000 0.962 42 G HN 0.475 nan 8.290 nan 0.000 0.552 43 E N 0.878 121.080 120.200 0.003 0.000 2.170 43 E HA 0.011 4.361 4.350 0.000 0.000 0.191 43 E C 2.604 179.207 176.600 0.004 0.000 0.981 43 E CA 0.504 56.907 56.400 0.005 0.000 0.830 43 E CB 0.043 29.747 29.700 0.006 0.000 0.775 43 E HN 0.554 nan 8.360 nan 0.000 0.470 44 R N 1.388 121.889 120.500 0.002 0.000 2.328 44 R HA 0.030 4.370 4.340 0.000 0.000 0.206 44 R C 0.861 177.160 176.300 -0.002 0.000 0.990 44 R CA 0.027 56.127 56.100 0.001 0.000 1.085 44 R CB 0.049 30.350 30.300 0.001 0.000 0.998 44 R HN 0.014 nan 8.270 nan 0.000 0.484 45 S N -0.271 115.427 115.700 -0.003 0.000 2.747 45 S HA 0.419 4.890 4.470 0.000 0.000 0.300 45 S C -0.472 174.122 174.600 -0.009 0.000 1.121 45 S CA -1.081 57.114 58.200 -0.008 0.000 0.995 45 S CB 1.543 64.738 63.200 -0.009 0.000 1.113 45 S HN 0.039 nan 8.310 nan 0.000 0.547 46 L N 1.599 122.812 121.223 -0.017 0.000 2.276 46 L HA 0.723 5.063 4.340 0.000 0.000 0.286 46 L C -0.010 176.848 176.870 -0.020 0.000 1.061 46 L CA -0.376 54.451 54.840 -0.022 0.000 0.807 46 L CB 0.467 42.502 42.059 -0.040 0.000 1.177 46 L HN 0.956 nan 8.230 nan 0.000 0.429 47 A N 4.669 127.483 122.820 -0.009 0.000 2.301 47 A HA 0.926 5.246 4.320 0.000 0.000 0.312 47 A C -0.545 177.043 177.584 0.007 0.000 1.182 47 A CA 0.132 52.170 52.037 0.002 0.000 0.826 47 A CB 0.740 19.746 19.000 0.011 0.000 1.134 47 A HN 1.308 nan 8.150 nan 0.000 0.501 48 A N 1.552 124.382 122.820 0.016 0.000 2.577 48 A HA 0.698 5.019 4.320 0.000 0.000 0.297 48 A C -0.536 177.096 177.584 0.080 0.000 1.060 48 A CA -0.398 51.663 52.037 0.041 0.000 0.697 48 A CB 1.038 20.011 19.000 -0.045 0.000 1.281 48 A HN 0.815 nan 8.150 nan 0.000 0.402 49 T N 3.183 117.828 114.554 0.151 0.000 2.788 49 T HA 0.532 4.882 4.350 0.000 0.000 0.296 49 T C -0.345 174.489 174.700 0.223 0.000 1.009 49 T CA -0.154 62.049 62.100 0.171 0.000 0.949 49 T CB 0.018 68.987 68.868 0.169 0.000 0.946 49 T HN 0.471 nan 8.240 nan 0.000 0.453 50 L N 3.241 124.567 121.223 0.172 0.000 2.264 50 L HA 0.637 4.977 4.340 0.000 0.000 0.289 50 L C 0.343 177.302 176.870 0.150 0.000 1.044 50 L CA -1.167 53.769 54.840 0.160 0.000 0.807 50 L CB 0.969 43.091 42.059 0.105 0.000 1.192 50 L HN 0.309 nan 8.230 nan 0.000 0.425 51 V N 4.347 124.261 119.914 -0.000 0.000 2.406 51 V HA 0.463 4.583 4.120 0.000 0.000 0.272 51 V C -0.376 175.748 176.094 0.050 0.000 1.043 51 V CA 0.086 62.371 62.300 -0.026 0.000 0.915 51 V CB 0.698 32.389 31.823 -0.219 0.000 0.988 51 V HN 0.993 nan 8.190 nan 0.000 0.466 52 H N 4.276 123.336 119.070 -0.016 0.000 2.943 52 H HA 0.841 5.397 4.556 0.000 0.000 0.323 52 H C -0.218 175.020 175.328 -0.150 0.000 1.296 52 H CA -0.538 55.353 56.048 -0.261 0.000 1.155 52 H CB 1.391 30.989 29.762 -0.273 0.000 1.882 52 H HN 0.804 nan 8.280 nan 0.000 0.553 53 A N 1.648 124.330 122.820 -0.231 0.000 2.515 53 A HA 0.277 4.597 4.320 0.000 0.000 0.263 53 A C -2.322 175.280 177.584 0.031 0.000 1.096 53 A CA -1.029 51.002 52.037 -0.010 0.000 0.769 53 A CB -0.980 17.997 19.000 -0.037 0.000 1.040 53 A HN 0.593 nan 8.150 nan 0.000 0.505 54 P HA 0.036 nan 4.420 nan 0.000 0.264 54 P C 0.788 178.116 177.300 0.046 0.000 1.183 54 P CA 1.535 64.634 63.100 -0.002 0.000 0.763 54 P CB 0.799 32.502 31.700 0.005 0.000 0.807 55 S N 0.024 115.761 115.700 0.062 0.000 2.765 55 S HA -0.127 4.343 4.470 0.000 0.000 0.266 55 S C -0.143 174.494 174.600 0.062 0.000 1.302 55 S CA 0.963 59.198 58.200 0.058 0.000 1.274 55 S CB -2.159 61.062 63.200 0.035 0.000 1.559 55 S HN 0.199 nan 8.310 nan 0.000 0.658 56 V N 2.650 122.622 119.914 0.096 0.000 2.350 56 V HA 0.828 4.949 4.120 0.000 0.000 0.285 56 V C 0.875 176.942 176.094 -0.046 0.000 1.014 56 V CA -0.489 61.822 62.300 0.019 0.000 0.831 56 V CB 0.808 32.618 31.823 -0.022 0.000 1.000 56 V HN 0.968 nan 8.190 nan 0.000 0.433 57 A N 7.701 130.466 122.820 -0.092 0.000 2.540 57 A HA 0.346 4.666 4.320 0.000 0.000 0.239 57 A C -0.968 176.401 177.584 -0.358 0.000 1.061 57 A CA -0.550 51.366 52.037 -0.202 0.000 0.758 57 A CB -0.012 18.919 19.000 -0.114 0.000 0.991 57 A HN 0.727 nan 8.150 nan 0.000 0.502 58 P HA 0.035 nan 4.420 nan 0.000 0.255 58 P C -0.170 176.972 177.300 -0.264 0.000 1.427 58 P CA 0.029 62.836 63.100 -0.488 0.000 0.863 58 P CB 0.264 31.583 31.700 -0.636 0.000 1.444 59 D N 1.208 121.487 120.400 -0.203 0.000 2.133 59 D HA -0.163 4.477 4.640 0.000 0.000 0.195 59 D C 1.749 177.971 176.300 -0.130 0.000 0.997 59 D CA 1.141 55.058 54.000 -0.139 0.000 0.840 59 D CB -0.373 40.362 40.800 -0.108 0.000 0.947 59 D HN 0.313 nan 8.370 nan 0.000 0.452 60 R N 0.348 120.764 120.500 -0.141 0.000 2.357 60 R HA 0.099 4.439 4.340 0.000 0.000 0.202 60 R C 1.658 177.877 176.300 -0.134 0.000 1.047 60 R CA 0.566 56.590 56.100 -0.128 0.000 1.034 60 R CB 0.033 30.256 30.300 -0.129 0.000 0.875 60 R HN 0.097 nan 8.270 nan 0.000 0.473 61 A N 0.291 123.024 122.820 -0.146 0.000 2.220 61 A HA 0.154 4.474 4.320 0.000 0.000 0.211 61 A C 0.659 178.173 177.584 -0.117 0.000 1.176 61 A CA 0.102 52.059 52.037 -0.133 0.000 0.834 61 A CB 0.745 19.659 19.000 -0.143 0.000 0.868 61 A HN 0.002 nan 8.150 nan 0.000 0.488 62 V N -0.230 119.616 119.914 -0.112 0.000 2.667 62 V HA 0.782 4.903 4.120 0.000 0.000 0.308 62 V C -0.025 176.018 176.094 -0.085 0.000 1.048 62 V CA -0.129 62.111 62.300 -0.100 0.000 0.928 62 V CB 1.354 33.122 31.823 -0.092 0.000 1.004 62 V HN 0.520 nan 8.190 nan 0.000 0.444 63 A N 4.413 127.187 122.820 -0.076 0.000 2.547 63 A HA 0.919 5.239 4.320 0.000 0.000 0.297 63 A C -0.789 176.762 177.584 -0.055 0.000 1.056 63 A CA -0.810 51.188 52.037 -0.064 0.000 0.688 63 A CB 1.837 20.798 19.000 -0.065 0.000 1.282 63 A HN 0.815 nan 8.150 nan 0.000 0.400 64 R N 0.297 120.770 120.500 -0.047 0.000 2.905 64 R HA 0.715 5.056 4.340 0.000 0.000 0.260 64 R C 0.200 176.479 176.300 -0.035 0.000 1.086 64 R CA -0.363 55.713 56.100 -0.039 0.000 0.978 64 R CB 1.760 32.039 30.300 -0.036 0.000 1.215 64 R HN 0.942 nan 8.270 nan 0.000 0.480 65 S N 0.308 115.991 115.700 -0.029 0.000 2.584 65 S HA 0.088 4.559 4.470 0.000 0.000 0.270 65 S C 0.735 175.319 174.600 -0.027 0.000 1.346 65 S CA -0.460 57.724 58.200 -0.027 0.000 1.018 65 S CB 0.455 63.642 63.200 -0.023 0.000 0.899 65 S HN 0.435 nan 8.310 nan 0.000 0.542 66 L N 1.829 123.037 121.223 -0.026 0.000 2.628 66 L HA 0.185 4.525 4.340 0.000 0.000 0.229 66 L C 1.592 178.449 176.870 -0.022 0.000 1.137 66 L CA 0.715 55.541 54.840 -0.025 0.000 0.909 66 L CB -1.009 41.034 42.059 -0.026 0.000 1.137 66 L HN 1.063 nan 8.230 nan 0.000 0.470 67 T N -4.751 109.791 114.554 -0.020 0.000 3.266 67 T HA 0.299 4.650 4.350 0.000 0.000 0.278 67 T C 1.207 175.898 174.700 -0.016 0.000 1.010 67 T CA 0.104 62.193 62.100 -0.017 0.000 0.909 67 T CB 0.332 69.190 68.868 -0.017 0.000 1.122 67 T HN 0.309 nan 8.240 nan 0.000 0.536 68 G N 1.153 109.943 108.800 -0.016 0.000 2.379 68 G HA2 -0.015 3.945 3.960 0.000 0.000 0.297 68 G HA3 -0.015 3.945 3.960 0.000 0.000 0.297 68 G C 0.297 175.189 174.900 -0.013 0.000 1.004 68 G CA 0.049 45.140 45.100 -0.015 0.000 0.921 68 G HN 1.240 nan 8.290 nan 0.000 0.511 69 A N -0.404 122.408 122.820 -0.014 0.000 2.294 69 A HA 0.852 5.173 4.320 0.000 0.000 0.330 69 A C -1.372 176.204 177.584 -0.012 0.000 1.133 69 A CA -1.624 50.405 52.037 -0.012 0.000 0.836 69 A CB 1.046 20.038 19.000 -0.012 0.000 1.190 69 A HN 0.046 nan 8.150 nan 0.000 0.492 70 P HA 0.070 nan 4.420 nan 0.000 0.271 70 P C -0.545 176.749 177.300 -0.011 0.000 1.601 70 P CA 0.914 64.008 63.100 -0.009 0.000 0.856 70 P CB -0.429 31.268 31.700 -0.005 0.000 1.820 71 T N -0.035 114.511 114.554 -0.014 0.000 2.807 71 T HA 0.554 4.904 4.350 0.000 0.000 0.279 71 T C -0.103 174.583 174.700 -0.023 0.000 0.993 71 T CA -0.218 61.873 62.100 -0.016 0.000 0.970 71 T CB 1.369 70.228 68.868 -0.016 0.000 0.950 71 T HN -0.125 nan 8.240 nan 0.000 0.441 72 T N 1.952 116.490 114.554 -0.027 0.000 2.932 72 T HA 0.743 5.093 4.350 0.000 0.000 0.318 72 T C -1.249 173.422 174.700 -0.048 0.000 1.265 72 T CA -0.721 61.355 62.100 -0.040 0.000 1.036 72 T CB 1.777 70.618 68.868 -0.044 0.000 1.209 72 T HN 0.771 nan 8.240 nan 0.000 0.484 73 A N 1.836 124.619 122.820 -0.063 0.000 2.422 73 A HA 0.868 5.188 4.320 0.000 0.000 0.302 73 A C -1.177 176.335 177.584 -0.120 0.000 1.041 73 A CA -0.641 51.351 52.037 -0.074 0.000 0.708 73 A CB 1.513 20.490 19.000 -0.040 0.000 1.257 73 A HN 0.659 nan 8.150 nan 0.000 0.414 74 V N 2.408 122.207 119.914 -0.191 0.000 2.604 74 V HA 0.656 4.776 4.120 0.000 0.000 0.305 74 V C -0.699 175.248 176.094 -0.246 0.000 1.043 74 V CA -0.469 61.664 62.300 -0.280 0.000 0.888 74 V CB 1.647 33.172 31.823 -0.497 0.000 0.995 74 V HN 0.835 nan 8.190 nan 0.000 0.429 75 L N 4.293 125.444 121.223 -0.120 0.000 2.441 75 L HA 0.872 5.212 4.340 0.000 0.000 0.270 75 L C -0.136 176.800 176.870 0.109 0.000 0.973 75 L CA -0.322 54.536 54.840 0.030 0.000 0.842 75 L CB 1.556 43.612 42.059 -0.006 0.000 1.239 75 L HN 0.737 nan 8.230 nan 0.000 0.406 76 A N 3.739 126.735 122.820 0.294 0.000 2.290 76 A HA 0.875 5.195 4.320 0.000 0.000 0.310 76 A C 0.571 178.257 177.584 0.170 0.000 1.202 76 A CA 0.535 52.708 52.037 0.227 0.000 0.837 76 A CB 0.776 19.941 19.000 0.275 0.000 1.139 76 A HN 1.411 nan 8.150 nan 0.000 0.509 77 G N 1.645 110.456 108.800 0.017 0.000 2.464 77 G HA2 0.189 4.149 3.960 0.000 0.000 0.216 77 G HA3 0.189 4.149 3.960 0.000 0.000 0.216 77 G C -0.467 174.350 174.900 -0.139 0.000 1.186 77 G CA 0.214 45.299 45.100 -0.024 0.000 1.010 77 G HN 1.755 nan 8.290 nan 0.000 0.585 78 E N -1.599 118.566 120.200 -0.058 0.000 2.432 78 E HA 0.674 5.024 4.350 0.000 0.000 0.279 78 E C -1.411 175.010 176.600 -0.300 0.000 1.099 78 E CA -1.144 55.139 56.400 -0.196 0.000 0.859 78 E CB 1.467 31.015 29.700 -0.253 0.000 1.402 78 E HN 0.754 nan 8.360 nan 0.000 0.451 79 I N 0.746 121.096 120.570 -0.367 0.000 2.530 79 I HA 0.271 4.441 4.170 0.000 0.000 0.297 79 I C -0.561 175.342 176.117 -0.356 0.000 1.011 79 I CA -0.658 60.426 61.300 -0.361 0.000 1.107 79 I CB 1.179 39.044 38.000 -0.224 0.000 1.285 79 I HN 0.557 nan 8.210 nan 0.000 0.436 80 Y N 1.774 122.120 120.300 0.077 0.000 2.535 80 Y HA 0.071 4.621 4.550 0.000 0.000 0.266 80 Y C 1.419 177.338 175.900 0.031 0.000 1.088 80 Y CA -0.337 57.798 58.100 0.058 0.000 1.285 80 Y CB -0.122 38.385 38.460 0.079 0.000 1.166 80 Y HN 0.561 nan 8.280 nan 0.000 0.525 81 N N 1.290 120.077 118.700 0.146 0.000 2.758 81 N HA 0.077 4.817 4.740 0.000 0.000 0.293 81 N C 0.710 176.239 175.510 0.033 0.000 1.273 81 N CA -0.120 52.979 53.050 0.082 0.000 1.022 81 N CB -0.178 38.347 38.487 0.065 0.000 1.334 81 N HN 0.260 nan 8.380 nan 0.000 0.519 82 R N 0.266 120.782 120.500 0.027 0.000 2.083 82 R HA -0.116 4.224 4.340 0.000 0.000 0.237 82 R C 0.733 177.031 176.300 -0.002 0.000 1.137 82 R CA 1.680 57.776 56.100 -0.005 0.000 0.951 82 R CB -0.097 30.198 30.300 -0.008 0.000 0.851 82 R HN 0.271 nan 8.270 nan 0.000 0.434 83 D N 0.457 120.863 120.400 0.010 0.000 2.149 83 D HA -0.148 4.492 4.640 0.000 0.000 0.198 83 D C 1.773 178.076 176.300 0.006 0.000 0.990 83 D CA 1.276 55.281 54.000 0.007 0.000 0.839 83 D CB -0.032 40.775 40.800 0.012 0.000 0.948 83 D HN 0.236 nan 8.370 nan 0.000 0.460 84 E N 0.050 120.255 120.200 0.008 0.000 2.047 84 E HA -0.086 4.264 4.350 0.000 0.000 0.191 84 E C 2.045 178.644 176.600 -0.002 0.000 0.987 84 E CA 0.254 56.657 56.400 0.005 0.000 0.799 84 E CB -0.171 29.534 29.700 0.007 0.000 0.752 84 E HN 0.109 nan 8.360 nan 0.000 0.449 85 L N 0.227 121.443 121.223 -0.013 0.000 2.046 85 L HA -0.119 4.221 4.340 0.000 0.000 0.208 85 L C 2.152 179.019 176.870 -0.005 0.000 1.077 85 L CA 1.484 56.310 54.840 -0.023 0.000 0.747 85 L CB -1.073 40.958 42.059 -0.047 0.000 0.896 85 L HN 0.210 nan 8.230 nan 0.000 0.432 86 L N -0.573 120.646 121.223 -0.007 0.000 2.131 86 L HA -0.196 4.144 4.340 0.000 0.000 0.210 86 L C 2.609 179.483 176.870 0.006 0.000 1.092 86 L CA 1.302 56.140 54.840 -0.004 0.000 0.759 86 L CB -0.543 41.511 42.059 -0.008 0.000 0.903 86 L HN 0.409 nan 8.230 nan 0.000 0.435 87 S N -0.308 115.398 115.700 0.010 0.000 2.423 87 S HA -0.108 4.362 4.470 0.000 0.000 0.231 87 S C 1.615 176.231 174.600 0.027 0.000 1.014 87 S CA 0.947 59.155 58.200 0.015 0.000 0.965 87 S CB -0.698 62.510 63.200 0.014 0.000 0.785 87 S HN 0.347 nan 8.310 nan 0.000 0.495 88 V N -1.161 118.780 119.914 0.046 0.000 3.577 88 V HA 0.499 4.620 4.120 0.000 0.000 0.294 88 V C 0.124 176.265 176.094 0.077 0.000 1.317 88 V CA -0.327 62.025 62.300 0.086 0.000 1.169 88 V CB -0.971 30.949 31.823 0.162 0.000 1.011 88 V HN 0.412 nan 8.190 nan 0.000 0.426 89 L N 2.663 123.910 121.223 0.039 0.000 2.322 89 L HA 0.569 4.909 4.340 0.000 0.000 0.281 89 L C -2.101 174.768 176.870 -0.002 0.000 1.014 89 L CA -1.970 52.879 54.840 0.016 0.000 0.815 89 L CB 2.252 44.316 42.059 0.009 0.000 1.247 89 L HN 0.085 nan 8.230 nan 0.000 0.421 90 P HA 0.028 nan 4.420 nan 0.000 0.265 90 P C -0.509 176.782 177.300 -0.015 0.000 1.193 90 P CA -0.302 62.787 63.100 -0.017 0.000 0.765 90 P CB 0.826 32.510 31.700 -0.026 0.000 0.823 91 A N 2.435 125.247 122.820 -0.013 0.000 2.520 91 A HA 0.466 4.786 4.320 0.000 0.000 0.245 91 A C 1.248 178.823 177.584 -0.015 0.000 1.072 91 A CA 0.995 53.024 52.037 -0.013 0.000 0.761 91 A CB -0.820 18.174 19.000 -0.010 0.000 1.004 91 A HN 0.895 nan 8.150 nan 0.000 0.499 92 G N 2.066 110.856 108.800 -0.016 0.000 1.828 92 G HA2 -0.067 3.893 3.960 0.000 0.000 0.128 92 G HA3 -0.067 3.893 3.960 0.000 0.000 0.128 92 G C -2.165 172.723 174.900 -0.021 0.000 2.299 92 G CA -0.063 45.026 45.100 -0.018 0.000 1.389 92 G HN 0.650 nan 8.290 nan 0.000 0.437 93 P HA 0.500 nan 4.420 nan 0.000 0.251 93 P C 0.222 177.505 177.300 -0.028 0.000 1.624 93 P CA 0.753 63.838 63.100 -0.026 0.000 0.907 93 P CB -0.113 31.570 31.700 -0.028 0.000 1.867 94 A N 2.793 125.598 122.820 -0.026 0.000 2.512 94 A HA 0.136 4.456 4.320 0.000 0.000 0.278 94 A C -1.212 176.352 177.584 -0.033 0.000 1.128 94 A CA -0.816 51.205 52.037 -0.027 0.000 0.818 94 A CB -0.887 18.098 19.000 -0.024 0.000 1.044 94 A HN 0.277 nan 8.150 nan 0.000 0.526 95 P HA -0.024 nan 4.420 nan 0.000 0.267 95 P C 0.488 177.759 177.300 -0.049 0.000 1.201 95 P CA 0.073 63.146 63.100 -0.046 0.000 0.775 95 P CB 0.924 32.592 31.700 -0.053 0.000 0.854 96 E N 1.121 121.288 120.200 -0.054 0.000 2.021 96 E HA 0.049 4.399 4.350 0.000 0.000 0.191 96 E C 1.251 177.811 176.600 -0.067 0.000 0.971 96 E CA 0.792 57.158 56.400 -0.057 0.000 0.825 96 E CB -0.295 29.370 29.700 -0.059 0.000 0.788 96 E HN 0.676 nan 8.360 nan 0.000 0.460 97 G N -0.666 108.086 108.800 -0.079 0.000 2.828 97 G HA2 0.058 4.018 3.960 0.000 0.000 0.244 97 G HA3 0.058 4.018 3.960 0.000 0.000 0.244 97 G C -0.147 174.694 174.900 -0.099 0.000 1.365 97 G CA -0.079 44.965 45.100 -0.092 0.000 1.041 97 G HN 0.105 nan 8.290 nan 0.000 0.560 98 D N -0.292 120.039 120.400 -0.117 0.000 2.183 98 D HA -0.009 4.631 4.640 0.000 0.000 0.203 98 D C 2.619 178.840 176.300 -0.131 0.000 0.969 98 D CA 1.176 55.096 54.000 -0.135 0.000 0.842 98 D CB -0.232 40.472 40.800 -0.160 0.000 0.957 98 D HN 0.317 nan 8.370 nan 0.000 0.484 99 A N 1.217 123.970 122.820 -0.113 0.000 1.865 99 A HA -0.239 4.081 4.320 0.000 0.000 0.217 99 A C 2.081 179.613 177.584 -0.088 0.000 1.191 99 A CA 1.588 53.567 52.037 -0.097 0.000 0.623 99 A CB -0.660 18.284 19.000 -0.094 0.000 0.826 99 A HN 0.180 nan 8.150 nan 0.000 0.444 100 E N -0.554 119.596 120.200 -0.083 0.000 2.160 100 E HA -0.160 4.190 4.350 0.000 0.000 0.195 100 E C 1.988 178.543 176.600 -0.075 0.000 0.991 100 E CA 0.820 57.177 56.400 -0.072 0.000 0.810 100 E CB -0.236 29.425 29.700 -0.065 0.000 0.742 100 E HN 0.613 nan 8.360 nan 0.000 0.466 101 L N 0.522 121.692 121.223 -0.088 0.000 1.989 101 L HA -0.214 4.127 4.340 0.000 0.000 0.211 101 L C 2.391 179.196 176.870 -0.108 0.000 1.071 101 L CA 1.203 55.988 54.840 -0.092 0.000 0.749 101 L CB -0.220 41.774 42.059 -0.108 0.000 0.890 101 L HN 0.081 nan 8.230 nan 0.000 0.431 102 V N -0.211 119.624 119.914 -0.132 0.000 2.343 102 V HA -0.309 3.812 4.120 0.000 0.000 0.247 102 V C 2.388 178.410 176.094 -0.121 0.000 1.051 102 V CA 1.607 63.815 62.300 -0.154 0.000 1.036 102 V CB -0.427 31.326 31.823 -0.117 0.000 0.654 102 V HN 0.376 nan 8.190 nan 0.000 0.451 103 L N 0.016 121.190 121.223 -0.082 0.000 2.083 103 L HA -0.111 4.230 4.340 0.000 0.000 0.209 103 L C 2.598 179.432 176.870 -0.060 0.000 1.083 103 L CA 1.873 56.675 54.840 -0.063 0.000 0.752 103 L CB -0.687 41.340 42.059 -0.052 0.000 0.899 103 L HN 0.181 nan 8.230 nan 0.000 0.433 104 R N -0.733 119.732 120.500 -0.058 0.000 2.090 104 R HA -0.020 4.320 4.340 0.000 0.000 0.228 104 R C 2.248 178.529 176.300 -0.032 0.000 1.110 104 R CA 1.180 57.253 56.100 -0.045 0.000 0.973 104 R CB -0.835 29.441 30.300 -0.039 0.000 0.869 104 R HN 0.397 nan 8.270 nan 0.000 0.440 105 L N 0.528 121.729 121.223 -0.038 0.000 2.093 105 L HA -0.099 4.241 4.340 0.000 0.000 0.208 105 L C 2.418 179.292 176.870 0.006 0.000 1.085 105 L CA 0.858 55.708 54.840 0.016 0.000 0.755 105 L CB -0.383 41.632 42.059 -0.074 0.000 0.904 105 L HN 0.095 nan 8.230 nan 0.000 0.435 106 L N -0.507 120.662 121.223 -0.090 0.000 2.191 106 L HA -0.202 4.138 4.340 0.000 0.000 0.212 106 L C 2.342 179.185 176.870 -0.045 0.000 1.103 106 L CA 1.172 55.955 54.840 -0.096 0.000 0.769 106 L CB -0.308 41.693 42.059 -0.096 0.000 0.908 106 L HN 0.317 nan 8.230 nan 0.000 0.438 107 E N -0.625 119.548 120.200 -0.045 0.000 2.208 107 E HA -0.184 4.166 4.350 0.000 0.000 0.193 107 E C 2.141 178.690 176.600 -0.084 0.000 0.988 107 E CA 0.498 56.866 56.400 -0.053 0.000 0.828 107 E CB 0.117 29.786 29.700 -0.051 0.000 0.763 107 E HN 0.323 nan 8.360 nan 0.000 0.478 108 R N -0.691 119.741 120.500 -0.113 0.000 2.206 108 R HA 0.017 4.358 4.340 0.000 0.000 0.198 108 R C 0.853 176.876 176.300 -0.460 0.000 0.986 108 R CA 0.624 56.543 56.100 -0.301 0.000 1.029 108 R CB 0.388 30.456 30.300 -0.388 0.000 0.966 108 R HN 0.170 nan 8.270 nan 0.000 0.487 109 Y N -0.462 119.812 120.300 -0.044 0.000 2.467 109 Y HA 0.231 4.781 4.550 0.000 0.000 0.259 109 Y C 0.162 176.082 175.900 0.034 0.000 1.084 109 Y CA 0.089 58.188 58.100 -0.001 0.000 1.275 109 Y CB 0.566 39.020 38.460 -0.010 0.000 1.208 109 Y HN 0.103 nan 8.280 nan 0.000 0.511 110 D N -0.498 119.952 120.400 0.084 0.000 4.160 110 D HA -0.258 4.382 4.640 0.000 0.000 0.291 110 D C 0.843 177.094 176.300 -0.082 0.000 2.226 110 D CA 1.235 55.234 54.000 -0.001 0.000 1.157 110 D CB -0.407 40.403 40.800 0.015 0.000 1.020 110 D HN 0.084 nan 8.370 nan 0.000 1.219 111 L N -0.863 120.262 121.223 -0.163 0.000 2.369 111 L HA -0.121 4.220 4.340 0.000 0.000 0.220 111 L C 1.974 178.740 176.870 -0.173 0.000 1.119 111 L CA 2.032 56.797 54.840 -0.125 0.000 0.780 111 L CB -1.385 40.573 42.059 -0.168 0.000 0.906 111 L HN 0.470 nan 8.230 nan 0.000 0.442 112 H N 0.543 119.607 119.070 -0.011 0.000 2.521 112 H HA 0.157 4.713 4.556 0.000 0.000 0.286 112 H C 2.270 177.545 175.328 -0.089 0.000 1.034 112 H CA 1.030 57.078 56.048 0.001 0.000 1.278 112 H CB -0.082 29.705 29.762 0.040 0.000 1.386 112 H HN 0.581 nan 8.280 nan 0.000 0.567 113 A N 0.814 123.549 122.820 -0.142 0.000 1.978 113 A HA -0.165 4.155 4.320 0.000 0.000 0.220 113 A C 1.877 179.252 177.584 -0.349 0.000 1.170 113 A CA 1.029 52.855 52.037 -0.351 0.000 0.636 113 A CB -1.170 17.539 19.000 -0.485 0.000 0.810 113 A HN 0.291 nan 8.150 nan 0.000 0.448 114 F N -0.553 119.425 119.950 0.045 0.000 2.771 114 F HA 0.003 4.530 4.527 0.000 0.000 0.299 114 F C 2.305 178.192 175.800 0.144 0.000 1.177 114 F CA 0.576 58.646 58.000 0.117 0.000 1.450 114 F CB -0.018 39.086 39.000 0.173 0.000 1.114 114 F HN 0.135 nan 8.300 nan 0.000 0.587 115 R N -0.161 120.463 120.500 0.207 0.000 2.246 115 R HA 0.088 4.428 4.340 0.000 0.000 0.199 115 R C 1.595 177.957 176.300 0.103 0.000 0.984 115 R CA 0.578 56.790 56.100 0.187 0.000 1.015 115 R CB -0.037 30.350 30.300 0.146 0.000 0.930 115 R HN 0.374 nan 8.270 nan 0.000 0.475 116 L N 0.123 121.351 121.223 0.008 0.000 2.463 116 L HA 0.137 4.478 4.340 0.000 0.000 0.219 116 L C 0.351 177.225 176.870 0.007 0.000 1.088 116 L CA -0.002 54.807 54.840 -0.052 0.000 0.849 116 L CB 0.434 42.364 42.059 -0.215 0.000 1.012 116 L HN -0.133 nan 8.230 nan 0.000 0.468 117 V N 1.664 121.618 119.914 0.066 0.000 2.455 117 V HA 0.066 4.187 4.120 0.000 0.000 0.273 117 V C -0.182 176.045 176.094 0.223 0.000 1.045 117 V CA -0.257 62.102 62.300 0.098 0.000 0.976 117 V CB 0.892 32.735 31.823 0.033 0.000 0.993 117 V HN 0.269 nan 8.190 nan 0.000 0.475 118 N N 4.242 123.042 118.700 0.168 0.000 2.558 118 N HA 0.663 5.403 4.740 0.000 0.000 0.242 118 N C -0.152 175.526 175.510 0.280 0.000 0.979 118 N CA 0.245 53.428 53.050 0.220 0.000 0.931 118 N CB 1.325 39.888 38.487 0.128 0.000 1.122 118 N HN 0.826 nan 8.380 nan 0.000 0.508 119 G N 1.486 110.519 108.800 0.389 0.000 2.650 119 G HA2 0.426 4.386 3.960 0.000 0.000 0.310 119 G HA3 0.426 4.386 3.960 0.000 0.000 0.310 119 G C -1.623 173.456 174.900 0.299 0.000 1.270 119 G CA -0.854 44.358 45.100 0.187 0.000 0.810 119 G HN 0.467 nan 8.290 nan 0.000 0.493 120 R N -0.006 120.611 120.500 0.196 0.000 2.472 120 R HA 0.611 4.951 4.340 0.000 0.000 0.294 120 R C -1.355 175.120 176.300 0.293 0.000 1.243 120 R CA -0.617 55.621 56.100 0.230 0.000 1.023 120 R CB 0.213 30.759 30.300 0.410 0.000 1.157 120 R HN 0.654 nan 8.270 nan 0.000 0.530 121 F N 0.612 120.603 119.950 0.069 0.000 2.741 121 F HA 0.852 5.379 4.527 0.000 0.000 0.313 121 F C -2.026 173.804 175.800 0.050 0.000 1.153 121 F CA -1.169 56.869 58.000 0.064 0.000 0.931 121 F CB 1.292 40.309 39.000 0.027 0.000 1.335 121 F HN 0.287 nan 8.300 nan 0.000 0.460 122 A N 1.314 124.270 122.820 0.227 0.000 2.437 122 A HA 0.732 5.052 4.320 0.000 0.000 0.293 122 A C -1.119 176.727 177.584 0.437 0.000 1.038 122 A CA -0.291 51.835 52.037 0.148 0.000 0.708 122 A CB 1.531 20.546 19.000 0.024 0.000 1.251 122 A HN 1.203 nan 8.150 nan 0.000 0.409 123 T N 0.433 115.208 114.554 0.368 0.000 2.901 123 T HA 0.731 5.081 4.350 0.000 0.000 0.293 123 T C -1.624 173.156 174.700 0.133 0.000 1.084 123 T CA -0.366 61.892 62.100 0.262 0.000 1.008 123 T CB 1.499 70.504 68.868 0.228 0.000 1.170 123 T HN 1.068 nan 8.240 nan 0.000 0.509 124 V N 2.625 122.511 119.914 -0.046 0.000 2.711 124 V HA 0.727 4.847 4.120 0.000 0.000 0.304 124 V C -0.822 175.229 176.094 -0.071 0.000 1.097 124 V CA -0.748 61.516 62.300 -0.060 0.000 0.906 124 V CB 1.641 33.380 31.823 -0.140 0.000 1.015 124 V HN 0.776 nan 8.190 nan 0.000 0.427 125 V N 6.184 126.100 119.914 0.002 0.000 2.638 125 V HA 0.727 4.847 4.120 0.000 0.000 0.306 125 V C -0.603 175.498 176.094 0.011 0.000 1.052 125 V CA -0.584 61.719 62.300 0.006 0.000 0.885 125 V CB 1.928 33.783 31.823 0.053 0.000 0.999 125 V HN 0.952 nan 8.190 nan 0.000 0.424 126 R N 3.699 124.196 120.500 -0.006 0.000 2.445 126 R HA 0.692 5.032 4.340 0.000 0.000 0.308 126 R C -1.085 175.216 176.300 0.002 0.000 0.961 126 R CA -0.311 55.789 56.100 0.001 0.000 0.862 126 R CB 1.931 32.227 30.300 -0.007 0.000 1.144 126 R HN 0.769 nan 8.270 nan 0.000 0.447 127 T N 3.649 118.209 114.554 0.009 0.000 3.150 127 T HA 0.358 4.708 4.350 0.000 0.000 0.383 127 T C 0.356 175.060 174.700 0.006 0.000 1.313 127 T CA 0.268 62.371 62.100 0.006 0.000 1.235 127 T CB 1.144 70.017 68.868 0.009 0.000 1.088 127 T HN 0.974 nan 8.240 nan 0.000 0.556 128 G N 3.683 112.485 108.800 0.003 0.000 2.595 128 G HA2 -0.278 3.682 3.960 0.000 0.000 0.297 128 G HA3 -0.278 3.682 3.960 0.000 0.000 0.297 128 G C 0.276 175.181 174.900 0.008 0.000 1.181 128 G CA 0.383 45.486 45.100 0.005 0.000 0.963 128 G HN 0.562 nan 8.290 nan 0.000 0.541 129 D N 1.394 121.800 120.400 0.011 0.000 2.368 129 D HA 0.246 4.886 4.640 0.000 0.000 0.218 129 D C 1.104 177.415 176.300 0.018 0.000 1.112 129 D CA 0.101 54.109 54.000 0.014 0.000 0.834 129 D CB 0.265 41.073 40.800 0.014 0.000 0.953 129 D HN 0.438 nan 8.370 nan 0.000 0.505 130 R N 0.657 121.168 120.500 0.019 0.000 2.393 130 R HA 0.539 4.879 4.340 0.000 0.000 0.310 130 R C -1.369 174.948 176.300 0.027 0.000 0.968 130 R CA -0.447 55.667 56.100 0.025 0.000 0.867 130 R CB 1.347 31.662 30.300 0.025 0.000 1.124 130 R HN -0.233 nan 8.270 nan 0.000 0.450 131 V N 6.310 126.244 119.914 0.033 0.000 2.588 131 V HA 0.437 4.557 4.120 0.000 0.000 0.304 131 V C -0.541 175.581 176.094 0.048 0.000 1.042 131 V CA -0.780 61.542 62.300 0.035 0.000 0.877 131 V CB 1.916 33.758 31.823 0.031 0.000 0.996 131 V HN 0.667 nan 8.190 nan 0.000 0.425 132 L N 5.626 126.883 121.223 0.057 0.000 2.346 132 L HA 0.687 5.027 4.340 0.000 0.000 0.276 132 L C -0.966 175.932 176.870 0.046 0.000 1.006 132 L CA -0.574 54.310 54.840 0.072 0.000 0.817 132 L CB 1.953 44.092 42.059 0.134 0.000 1.272 132 L HN 0.397 nan 8.230 nan 0.000 0.421 133 L N 2.926 124.156 121.223 0.013 0.000 2.376 133 L HA 0.859 5.200 4.340 0.000 0.000 0.275 133 L C -0.422 176.370 176.870 -0.130 0.000 0.987 133 L CA -0.497 54.336 54.840 -0.012 0.000 0.828 133 L CB 1.881 43.953 42.059 0.022 0.000 1.249 133 L HN 0.701 nan 8.230 nan 0.000 0.409 134 A N 1.792 124.469 122.820 -0.239 0.000 2.414 134 A HA 0.915 5.235 4.320 0.000 0.000 0.306 134 A C -0.297 177.129 177.584 -0.264 0.000 1.054 134 A CA -0.492 51.266 52.037 -0.465 0.000 0.724 134 A CB 1.855 19.948 19.000 -1.511 0.000 1.267 134 A HN 0.653 nan 8.150 nan 0.000 0.418 135 T N -0.669 113.716 114.554 -0.283 0.000 2.940 135 T HA 0.676 5.026 4.350 0.000 0.000 0.288 135 T C -0.257 174.081 174.700 -0.604 0.000 1.045 135 T CA -0.437 61.420 62.100 -0.405 0.000 1.018 135 T CB 1.051 69.764 68.868 -0.259 0.000 1.151 135 T HN 0.724 nan 8.240 nan 0.000 0.529 136 D N -0.993 118.870 120.400 -0.896 0.000 2.411 136 D HA 0.103 4.743 4.640 0.000 0.000 0.251 136 D C 1.647 177.784 176.300 -0.272 0.000 1.201 136 D CA -0.658 52.914 54.000 -0.713 0.000 0.996 136 D CB 0.185 40.541 40.800 -0.740 0.000 1.101 136 D HN 0.792 nan 8.370 nan 0.000 0.504 137 H N -0.849 118.132 119.070 -0.149 0.000 2.400 137 H HA -0.218 4.338 4.556 0.000 0.000 0.295 137 H C 1.021 176.275 175.328 -0.123 0.000 1.118 137 H CA 1.732 57.637 56.048 -0.238 0.000 1.256 137 H CB -0.388 28.850 29.762 -0.873 0.000 1.365 137 H HN 0.458 nan 8.280 nan 0.000 0.502 138 A N 0.287 122.753 122.820 -0.591 0.000 2.430 138 A HA 0.437 4.757 4.320 0.000 0.000 0.243 138 A C 1.809 179.475 177.584 0.136 0.000 1.254 138 A CA 0.475 52.500 52.037 -0.021 0.000 0.914 138 A CB -0.214 18.738 19.000 -0.079 0.000 0.998 138 A HN 0.742 nan 8.150 nan 0.000 0.515 139 G N 1.027 109.776 108.800 -0.085 0.000 2.356 139 G HA2 -0.305 3.655 3.960 0.000 0.000 0.296 139 G HA3 -0.305 3.655 3.960 0.000 0.000 0.296 139 G C 0.953 175.792 174.900 -0.102 0.000 1.022 139 G CA 1.035 46.069 45.100 -0.109 0.000 0.961 139 G HN 1.368 nan 8.290 nan 0.000 0.510 140 S N -2.455 113.158 115.700 -0.145 0.000 2.507 140 S HA 0.203 4.673 4.470 0.000 0.000 0.235 140 S C 0.839 175.379 174.600 -0.101 0.000 0.988 140 S CA 1.025 59.163 58.200 -0.104 0.000 0.944 140 S CB 0.558 63.718 63.200 -0.068 0.000 0.762 140 S HN 0.886 nan 8.310 nan 0.000 0.526 141 V N 3.503 123.340 119.914 -0.128 0.000 2.305 141 V HA 0.394 4.514 4.120 0.000 0.000 0.275 141 V C -2.583 173.422 176.094 -0.147 0.000 1.020 141 V CA -2.139 60.103 62.300 -0.097 0.000 0.811 141 V CB 0.868 32.664 31.823 -0.044 0.000 1.031 141 V HN 0.126 nan 8.190 nan 0.000 0.439 142 P HA 0.023 nan 4.420 nan 0.000 0.263 142 P C -0.623 176.501 177.300 -0.293 0.000 1.168 142 P CA 0.493 63.448 63.100 -0.242 0.000 0.759 142 P CB 0.507 32.161 31.700 -0.075 0.000 0.782 143 L N 4.280 125.222 121.223 -0.468 0.000 2.439 143 L HA 0.448 4.788 4.340 0.000 0.000 0.270 143 L C -1.349 175.265 176.870 -0.426 0.000 0.972 143 L CA -0.720 53.934 54.840 -0.309 0.000 0.836 143 L CB 1.005 42.962 42.059 -0.171 0.000 1.255 143 L HN 0.361 nan 8.230 nan 0.000 0.404 144 Y N 2.179 122.462 120.300 -0.028 0.000 2.549 144 Y HA 0.725 5.275 4.550 0.000 0.000 0.339 144 Y C 0.362 176.288 175.900 0.043 0.000 1.053 144 Y CA -0.502 57.608 58.100 0.015 0.000 1.105 144 Y CB 2.427 40.891 38.460 0.007 0.000 1.258 144 Y HN 0.461 nan 8.280 nan 0.000 0.478 145 T N 0.098 114.791 114.554 0.232 0.000 2.821 145 T HA 0.585 4.935 4.350 0.000 0.000 0.306 145 T C -2.074 172.710 174.700 0.139 0.000 1.313 145 T CA -0.490 61.703 62.100 0.155 0.000 1.012 145 T CB 0.661 69.594 68.868 0.108 0.000 1.298 145 T HN 0.709 nan 8.240 nan 0.000 0.502 146 C N 3.276 122.620 119.300 0.073 0.000 2.407 146 C HA 0.744 5.204 4.460 0.000 0.000 0.328 146 C C -0.492 174.490 174.990 -0.013 0.000 1.137 146 C CA -0.779 58.248 59.018 0.016 0.000 1.390 146 C CB 0.020 27.751 27.740 -0.014 0.000 1.989 146 C HN 0.721 nan 8.230 nan 0.000 0.432 147 V N 3.024 122.915 119.914 -0.039 0.000 2.555 147 V HA 0.959 5.079 4.120 0.000 0.000 0.302 147 V C 0.175 176.307 176.094 0.063 0.000 1.038 147 V CA -0.041 62.260 62.300 0.001 0.000 0.887 147 V CB 1.700 33.521 31.823 -0.002 0.000 0.991 147 V HN 1.051 nan 8.190 nan 0.000 0.434 148 A N 5.566 128.456 122.820 0.116 0.000 2.604 148 A HA 0.872 5.192 4.320 0.000 0.000 0.295 148 A C -3.200 174.466 177.584 0.137 0.000 1.067 148 A CA -1.659 50.522 52.037 0.239 0.000 0.683 148 A CB 1.896 21.090 19.000 0.324 0.000 1.281 148 A HN 0.593 nan 8.150 nan 0.000 0.407 149 P HA 0.254 nan 4.420 nan 0.000 0.256 149 P C 1.116 178.452 177.300 0.061 0.000 1.173 149 P CA 2.527 65.666 63.100 0.064 0.000 0.768 149 P CB 0.385 32.109 31.700 0.041 0.000 0.758 150 G N 2.372 111.200 108.800 0.046 0.000 2.258 150 G HA2 -0.232 3.728 3.960 0.000 0.000 0.233 150 G HA3 -0.232 3.728 3.960 0.000 0.000 0.233 150 G C 0.008 174.931 174.900 0.037 0.000 1.006 150 G CA 0.162 45.285 45.100 0.039 0.000 0.620 150 G HN 0.635 nan 8.290 nan 0.000 0.511 151 E N -0.388 119.838 120.200 0.044 0.000 2.304 151 E HA 0.569 4.919 4.350 0.000 0.000 0.277 151 E C -1.347 175.271 176.600 0.030 0.000 0.898 151 E CA -0.722 55.697 56.400 0.032 0.000 0.764 151 E CB 2.379 32.094 29.700 0.025 0.000 1.216 151 E HN 0.255 nan 8.360 nan 0.000 0.419 152 V N 4.152 124.081 119.914 0.025 0.000 2.487 152 V HA 0.552 4.672 4.120 0.000 0.000 0.298 152 V C -0.385 175.727 176.094 0.030 0.000 1.028 152 V CA -0.680 61.637 62.300 0.029 0.000 0.860 152 V CB 1.740 33.584 31.823 0.034 0.000 0.991 152 V HN 0.630 nan 8.190 nan 0.000 0.427 153 R N 2.721 123.241 120.500 0.033 0.000 2.534 153 R HA 0.841 5.181 4.340 0.000 0.000 0.301 153 R C -0.784 175.569 176.300 0.089 0.000 0.961 153 R CA -0.116 56.010 56.100 0.043 0.000 0.871 153 R CB 1.924 32.225 30.300 0.002 0.000 1.170 153 R HN 0.908 nan 8.270 nan 0.000 0.446 154 A N 1.901 124.807 122.820 0.144 0.000 2.422 154 A HA 0.738 5.059 4.320 0.000 0.000 0.302 154 A C -1.255 176.493 177.584 0.273 0.000 1.041 154 A CA -0.537 51.627 52.037 0.212 0.000 0.708 154 A CB 2.138 21.294 19.000 0.260 0.000 1.257 154 A HN 0.562 nan 8.150 nan 0.000 0.414 155 S N -0.410 115.393 115.700 0.172 0.000 2.570 155 S HA 0.590 5.061 4.470 0.000 0.000 0.270 155 S C 0.593 175.129 174.600 -0.108 0.000 1.149 155 S CA 0.327 58.556 58.200 0.049 0.000 0.837 155 S CB 1.358 64.649 63.200 0.151 0.000 1.124 155 S HN 1.361 nan 8.310 nan 0.000 0.465 156 T N 0.089 114.431 114.554 -0.354 0.000 3.169 156 T HA 0.384 4.735 4.350 0.000 0.000 0.250 156 T C 0.018 174.717 174.700 -0.000 0.000 1.111 156 T CA 0.102 62.025 62.100 -0.295 0.000 1.010 156 T CB -0.394 68.150 68.868 -0.540 0.000 0.984 156 T HN 0.556 nan 8.240 nan 0.000 0.537 157 E N -0.329 119.935 120.200 0.107 0.000 2.304 157 E HA 0.583 4.933 4.350 0.000 0.000 0.277 157 E C 0.454 176.952 176.600 -0.170 0.000 0.898 157 E CA -0.637 55.772 56.400 0.015 0.000 0.764 157 E CB 1.948 31.674 29.700 0.044 0.000 1.216 157 E HN 0.075 nan 8.360 nan 0.000 0.419 158 A N 3.642 126.072 122.820 -0.650 0.000 1.930 158 A HA -0.228 4.092 4.320 0.000 0.000 0.217 158 A C 1.958 179.350 177.584 -0.320 0.000 1.175 158 A CA 1.872 53.497 52.037 -0.687 0.000 0.627 158 A CB -0.472 17.950 19.000 -0.963 0.000 0.815 158 A HN 0.689 nan 8.150 nan 0.000 0.443 159 K N -0.079 120.147 120.400 -0.290 0.000 2.074 159 K HA -0.091 4.229 4.320 0.000 0.000 0.209 159 K C 1.889 178.402 176.600 -0.144 0.000 1.048 159 K CA 1.699 57.861 56.287 -0.209 0.000 0.926 159 K CB -0.609 31.766 32.500 -0.208 0.000 0.713 159 K HN 0.259 nan 8.250 nan 0.000 0.444 160 A N 1.140 123.877 122.820 -0.138 0.000 2.067 160 A HA 0.026 4.346 4.320 0.000 0.000 0.219 160 A C 2.093 179.616 177.584 -0.102 0.000 1.158 160 A CA 0.941 52.878 52.037 -0.166 0.000 0.661 160 A CB -0.393 18.448 19.000 -0.265 0.000 0.801 160 A HN 0.330 nan 8.150 nan 0.000 0.452 161 L N -1.576 119.602 121.223 -0.074 0.000 2.168 161 L HA 0.040 4.380 4.340 0.000 0.000 0.203 161 L C 2.868 179.725 176.870 -0.022 0.000 1.078 161 L CA 0.823 55.640 54.840 -0.039 0.000 0.780 161 L CB -0.367 41.680 42.059 -0.020 0.000 0.939 161 L HN 0.345 nan 8.230 nan 0.000 0.451 162 A N 0.145 122.933 122.820 -0.054 0.000 2.168 162 A HA 0.030 4.350 4.320 0.000 0.000 0.215 162 A C 2.169 179.743 177.584 -0.016 0.000 1.152 162 A CA 1.050 53.064 52.037 -0.038 0.000 0.716 162 A CB -0.499 18.451 19.000 -0.083 0.000 0.794 162 A HN 0.342 nan 8.150 nan 0.000 0.465 163 A N -1.111 121.699 122.820 -0.017 0.000 2.263 163 A HA 0.169 4.489 4.320 0.000 0.000 0.205 163 A C 0.808 178.426 177.584 0.056 0.000 1.226 163 A CA 0.729 52.764 52.037 -0.003 0.000 0.810 163 A CB -0.699 18.286 19.000 -0.024 0.000 0.784 163 A HN 0.686 nan 8.150 nan 0.000 0.486 164 H N -1.064 117.980 119.070 -0.044 0.000 2.649 164 H HA 0.686 5.242 4.556 0.000 0.000 0.337 164 H C 0.033 175.347 175.328 -0.024 0.000 1.282 164 H CA -0.985 55.045 56.048 -0.030 0.000 1.333 164 H CB 0.772 30.518 29.762 -0.027 0.000 1.787 164 H HN 0.181 nan 8.280 nan 0.000 0.632 165 R N 0.737 120.902 120.500 -0.558 0.000 2.312 165 R HA 0.221 4.561 4.340 0.000 0.000 0.311 165 R C -1.012 175.219 176.300 -0.115 0.000 1.004 165 R CA -0.159 55.763 56.100 -0.297 0.000 0.902 165 R CB -0.028 30.070 30.300 -0.336 0.000 1.073 165 R HN 0.816 nan 8.270 nan 0.000 0.457 166 D N 3.593 123.977 120.400 -0.028 0.000 2.802 166 D HA -0.148 4.493 4.640 0.000 0.000 0.229 166 D C -2.280 174.063 176.300 0.072 0.000 1.203 166 D CA 0.608 54.625 54.000 0.028 0.000 0.712 166 D CB -0.522 40.299 40.800 0.036 0.000 0.973 166 D HN 0.513 nan 8.370 nan 0.000 0.407 167 P HA -0.039 nan 4.420 nan 0.000 0.258 167 P C -0.216 177.051 177.300 -0.056 0.000 1.172 167 P CA 0.189 63.324 63.100 0.059 0.000 0.762 167 P CB 0.530 32.246 31.700 0.027 0.000 0.764 168 K N 3.072 123.430 120.400 -0.070 0.000 2.278 168 K HA 0.542 4.862 4.320 0.000 0.000 0.289 168 K C 0.542 176.895 176.600 -0.412 0.000 1.080 168 K CA 0.210 56.362 56.287 -0.226 0.000 0.934 168 K CB -0.182 32.297 32.500 -0.035 0.000 1.093 168 K HN 0.604 nan 8.250 nan 0.000 0.459 169 G N 2.490 110.763 108.800 -0.878 0.000 2.715 169 G HA2 0.571 4.531 3.960 0.000 0.000 0.297 169 G HA3 0.571 4.531 3.960 0.000 0.000 0.297 169 G C -1.557 172.842 174.900 -0.835 0.000 1.386 169 G CA -0.711 44.015 45.100 -0.623 0.000 1.157 169 G HN 0.247 nan 8.290 nan 0.000 0.585 170 F N 1.318 121.262 119.950 -0.012 0.000 2.620 170 F HA 0.694 5.221 4.527 0.000 0.000 0.320 170 F C -1.904 173.607 175.800 -0.481 0.000 1.069 170 F CA -2.376 55.591 58.000 -0.056 0.000 0.953 170 F CB 1.767 40.759 39.000 -0.014 0.000 1.322 170 F HN 0.239 nan 8.300 nan 0.000 0.479 171 P HA 0.053 nan 4.420 nan 0.000 0.269 171 P C -0.996 176.104 177.300 -0.332 0.000 1.185 171 P CA 0.523 63.456 63.100 -0.278 0.000 0.769 171 P CB 0.726 32.456 31.700 0.050 0.000 0.809 172 L N -0.039 120.987 121.223 -0.329 0.000 2.466 172 L HA 0.492 4.832 4.340 0.000 0.000 0.258 172 L C 0.023 176.850 176.870 -0.073 0.000 0.973 172 L CA -1.461 53.261 54.840 -0.198 0.000 0.826 172 L CB 2.113 44.025 42.059 -0.246 0.000 1.372 172 L HN 0.302 nan 8.230 nan 0.000 0.409 173 A N 0.868 123.661 122.820 -0.045 0.000 2.537 173 A HA 0.196 4.516 4.320 0.000 0.000 0.260 173 A C 0.775 178.354 177.584 -0.009 0.000 1.082 173 A CA 0.794 52.817 52.037 -0.023 0.000 0.765 173 A CB -0.198 18.783 19.000 -0.032 0.000 1.019 173 A HN 0.939 nan 8.150 nan 0.000 0.507 174 D N -0.234 120.171 120.400 0.007 0.000 3.006 174 D HA -0.204 4.436 4.640 0.000 0.000 0.208 174 D C 0.302 176.626 176.300 0.040 0.000 1.116 174 D CA 1.860 55.871 54.000 0.018 0.000 0.998 174 D CB -1.273 39.529 40.800 0.003 0.000 1.124 174 D HN 1.167 nan 8.370 nan 0.000 0.413 175 A N 0.374 123.233 122.820 0.064 0.000 2.309 175 A HA 0.660 4.980 4.320 0.000 0.000 0.298 175 A C 0.443 178.191 177.584 0.274 0.000 1.165 175 A CA -0.174 51.944 52.037 0.135 0.000 0.821 175 A CB 0.618 19.680 19.000 0.102 0.000 1.102 175 A HN 0.305 nan 8.150 nan 0.000 0.500 176 R N 1.861 122.497 120.500 0.226 0.000 2.460 176 R HA 0.568 4.909 4.340 0.000 0.000 0.303 176 R C -0.511 175.776 176.300 -0.022 0.000 0.968 176 R CA -0.831 55.353 56.100 0.139 0.000 0.889 176 R CB 1.101 31.423 30.300 0.037 0.000 1.123 176 R HN 0.776 nan 8.270 nan 0.000 0.455 177 R N 1.566 121.861 120.500 -0.341 0.000 2.442 177 R HA 0.185 4.525 4.340 0.000 0.000 0.291 177 R C -0.466 175.659 176.300 -0.292 0.000 1.069 177 R CA -0.788 54.859 56.100 -0.756 0.000 1.022 177 R CB 0.535 30.378 30.300 -0.763 0.000 0.976 177 R HN 0.313 nan 8.270 nan 0.000 0.443 178 V N 3.122 122.918 119.914 -0.196 0.000 2.485 178 V HA 0.078 4.198 4.120 0.000 0.000 0.287 178 V C 0.924 176.971 176.094 -0.078 0.000 1.022 178 V CA 0.017 62.289 62.300 -0.047 0.000 1.067 178 V CB 0.453 32.307 31.823 0.052 0.000 0.967 178 V HN 0.943 nan 8.190 nan 0.000 0.479 179 A N 4.787 127.540 122.820 -0.112 0.000 2.522 179 A HA 0.519 4.840 4.320 0.000 0.000 0.256 179 A C 1.467 178.949 177.584 -0.169 0.000 1.086 179 A CA 0.654 52.604 52.037 -0.145 0.000 0.763 179 A CB -0.461 18.431 19.000 -0.180 0.000 1.024 179 A HN 1.922 nan 8.150 nan 0.000 0.502 180 G N 1.417 110.197 108.800 -0.035 0.000 2.278 180 G HA2 -0.151 3.809 3.960 0.000 0.000 0.210 180 G HA3 -0.151 3.809 3.960 0.000 0.000 0.210 180 G C 0.032 175.055 174.900 0.205 0.000 1.000 180 G CA 0.105 45.286 45.100 0.134 0.000 0.635 180 G HN 0.820 nan 8.290 nan 0.000 0.495 181 L N 0.680 121.980 121.223 0.129 0.000 2.271 181 L HA 0.877 5.217 4.340 0.000 0.000 0.265 181 L C 0.400 177.268 176.870 -0.003 0.000 1.013 181 L CA -0.514 54.362 54.840 0.059 0.000 0.820 181 L CB 2.228 44.312 42.059 0.041 0.000 1.352 181 L HN 0.331 nan 8.230 nan 0.000 0.443 182 T N -2.859 111.689 114.554 -0.010 0.000 2.881 182 T HA 0.582 4.933 4.350 0.000 0.000 0.290 182 T C 0.354 175.045 174.700 -0.015 0.000 1.000 182 T CA -0.020 62.071 62.100 -0.015 0.000 0.978 182 T CB 1.623 70.498 68.868 0.012 0.000 0.997 182 T HN 1.097 nan 8.240 nan 0.000 0.443 183 G N 1.263 110.060 108.800 -0.006 0.000 2.136 183 G HA2 -0.117 3.843 3.960 0.000 0.000 0.242 183 G HA3 -0.117 3.843 3.960 0.000 0.000 0.242 183 G C -0.152 174.780 174.900 0.054 0.000 0.989 183 G CA -0.018 45.078 45.100 -0.007 0.000 0.682 183 G HN 1.385 nan 8.290 nan 0.000 0.522 184 V N 0.228 120.169 119.914 0.045 0.000 2.569 184 V HA 0.672 4.792 4.120 0.000 0.000 0.301 184 V C -0.601 175.533 176.094 0.067 0.000 1.044 184 V CA -1.204 61.158 62.300 0.104 0.000 0.874 184 V CB 1.463 33.300 31.823 0.025 0.000 1.002 184 V HN 0.247 nan 8.190 nan 0.000 0.424 185 Y N 2.016 122.368 120.300 0.087 0.000 2.567 185 Y HA 0.638 5.188 4.550 0.000 0.000 0.333 185 Y C 0.261 176.248 175.900 0.146 0.000 1.106 185 Y CA -0.926 57.233 58.100 0.099 0.000 1.157 185 Y CB 1.789 40.279 38.460 0.050 0.000 1.277 185 Y HN 0.604 nan 8.280 nan 0.000 0.490 186 Q N 1.340 121.267 119.800 0.213 0.000 2.348 186 Q HA 0.541 4.881 4.340 0.000 0.000 0.265 186 Q C -1.521 174.450 176.000 -0.048 0.000 0.998 186 Q CA -0.696 55.105 55.803 -0.005 0.000 0.831 186 Q CB 1.266 29.958 28.738 -0.078 0.000 1.251 186 Q HN 0.607 nan 8.270 nan 0.000 0.456 187 V N 6.786 126.638 119.914 -0.103 0.000 2.617 187 V HA 0.063 4.183 4.120 0.000 0.000 0.304 187 V C -1.919 174.118 176.094 -0.096 0.000 1.040 187 V CA -0.696 61.560 62.300 -0.074 0.000 1.149 187 V CB 0.417 32.189 31.823 -0.085 0.000 0.914 187 V HN 0.834 nan 8.190 nan 0.000 0.487 188 P HA 0.216 nan 4.420 nan 0.000 0.271 188 P C -0.440 176.835 177.300 -0.041 0.000 1.233 188 P CA -0.104 62.969 63.100 -0.046 0.000 0.789 188 P CB 0.463 32.156 31.700 -0.012 0.000 0.951 189 A N 1.335 124.145 122.820 -0.016 0.000 2.351 189 A HA 0.491 4.811 4.320 0.000 0.000 0.257 189 A C 0.997 178.657 177.584 0.126 0.000 1.087 189 A CA 0.188 52.257 52.037 0.054 0.000 0.798 189 A CB -1.095 18.015 19.000 0.183 0.000 1.033 189 A HN 0.820 nan 8.150 nan 0.000 0.488 190 G N -0.492 108.385 108.800 0.129 0.000 2.334 190 G HA2 0.324 4.284 3.960 0.000 0.000 0.279 190 G HA3 0.324 4.284 3.960 0.000 0.000 0.279 190 G C 0.244 175.259 174.900 0.192 0.000 0.918 190 G CA 0.924 46.157 45.100 0.223 0.000 1.314 190 G HN 2.360 nan 8.290 nan 0.000 0.463 191 A N -0.609 122.268 122.820 0.096 0.000 2.601 191 A HA 0.940 5.260 4.320 0.000 0.000 0.291 191 A C -0.741 176.856 177.584 0.021 0.000 1.075 191 A CA 0.044 52.138 52.037 0.094 0.000 0.671 191 A CB 2.080 21.121 19.000 0.068 0.000 1.277 191 A HN 1.962 nan 8.150 nan 0.000 0.417 192 V N 1.573 121.531 119.914 0.073 0.000 2.623 192 V HA 0.700 4.820 4.120 0.000 0.000 0.304 192 V C -0.942 175.206 176.094 0.089 0.000 1.054 192 V CA -0.544 61.769 62.300 0.021 0.000 0.882 192 V CB 1.545 33.440 31.823 0.120 0.000 1.002 192 V HN 0.890 nan 8.190 nan 0.000 0.424 193 M N 5.568 125.194 119.600 0.043 0.000 2.180 193 M HA 0.442 4.922 4.480 0.000 0.000 0.350 193 M C -0.811 175.539 176.300 0.082 0.000 1.125 193 M CA -0.329 55.010 55.300 0.064 0.000 1.031 193 M CB 1.265 33.883 32.600 0.030 0.000 1.623 193 M HN 0.599 nan 8.290 nan 0.000 0.451 194 D N 5.255 125.721 120.400 0.110 0.000 2.456 194 D HA 0.379 5.020 4.640 0.000 0.000 0.219 194 D C -0.961 175.380 176.300 0.068 0.000 1.126 194 D CA -0.114 53.945 54.000 0.098 0.000 0.890 194 D CB 0.413 41.292 40.800 0.132 0.000 1.025 194 D HN 0.485 nan 8.370 nan 0.000 0.511 195 I N 2.147 122.749 120.570 0.052 0.000 2.385 195 I HA 0.188 4.358 4.170 0.000 0.000 0.294 195 I C 0.354 176.493 176.117 0.036 0.000 0.988 195 I CA -0.854 60.470 61.300 0.039 0.000 1.265 195 I CB 1.564 39.584 38.000 0.034 0.000 1.388 195 I HN 0.198 nan 8.210 nan 0.000 0.480 196 D N 4.746 125.165 120.400 0.032 0.000 2.347 196 D HA 0.152 4.792 4.640 0.000 0.000 0.235 196 D C 0.833 177.150 176.300 0.027 0.000 1.149 196 D CA -0.481 53.536 54.000 0.028 0.000 0.850 196 D CB 1.141 41.956 40.800 0.026 0.000 1.061 196 D HN 0.386 nan 8.370 nan 0.000 0.487 197 L N 4.595 125.834 121.223 0.026 0.000 2.013 197 L HA 0.022 4.362 4.340 0.000 0.000 0.212 197 L C 2.042 178.928 176.870 0.027 0.000 1.073 197 L CA 2.403 57.259 54.840 0.027 0.000 0.753 197 L CB -0.931 41.142 42.059 0.023 0.000 0.890 197 L HN 0.653 nan 8.230 nan 0.000 0.432 198 G N -1.557 107.257 108.800 0.023 0.000 2.433 198 G HA2 -0.283 3.677 3.960 0.000 0.000 0.216 198 G HA3 -0.283 3.677 3.960 0.000 0.000 0.216 198 G C 1.594 176.507 174.900 0.022 0.000 1.186 198 G CA 1.180 46.293 45.100 0.022 0.000 0.779 198 G HN 0.583 nan 8.290 nan 0.000 0.543 199 S N -0.354 115.358 115.700 0.020 0.000 2.406 199 S HA 0.280 4.751 4.470 0.000 0.000 0.228 199 S C 2.050 176.664 174.600 0.023 0.000 1.020 199 S CA 1.262 59.472 58.200 0.017 0.000 0.965 199 S CB -0.352 62.855 63.200 0.013 0.000 0.798 199 S HN 1.687 nan 8.310 nan 0.000 0.488 200 G N 1.382 110.200 108.800 0.031 0.000 2.143 200 G HA2 -0.239 3.721 3.960 0.000 0.000 0.249 200 G HA3 -0.239 3.721 3.960 0.000 0.000 0.249 200 G C 0.182 175.101 174.900 0.032 0.000 0.981 200 G CA 0.461 45.586 45.100 0.043 0.000 0.665 200 G HN 1.151 nan 8.290 nan 0.000 0.528 201 T N -1.887 112.679 114.554 0.020 0.000 2.927 201 T HA 0.933 5.284 4.350 0.000 0.000 0.281 201 T C 0.126 174.832 174.700 0.011 0.000 0.998 201 T CA 0.351 62.457 62.100 0.010 0.000 1.019 201 T CB 2.541 71.413 68.868 0.006 0.000 1.061 201 T HN 1.821 nan 8.240 nan 0.000 0.518 202 A N 0.484 123.305 122.820 0.002 0.000 2.566 202 A HA 0.771 5.091 4.320 0.000 0.000 0.292 202 A C -1.328 176.257 177.584 0.002 0.000 1.112 202 A CA -0.858 51.185 52.037 0.009 0.000 0.707 202 A CB 1.748 20.749 19.000 0.002 0.000 1.302 202 A HN 0.882 nan 8.150 nan 0.000 0.409 203 V N 1.006 120.928 119.914 0.014 0.000 2.525 203 V HA 0.545 4.665 4.120 0.000 0.000 0.299 203 V C -0.297 175.780 176.094 -0.028 0.000 1.034 203 V CA -0.357 61.928 62.300 -0.025 0.000 0.863 203 V CB 1.863 33.685 31.823 -0.001 0.000 0.999 203 V HN 0.951 nan 8.190 nan 0.000 0.423 204 T N 4.417 118.910 114.554 -0.101 0.000 2.829 204 T HA 0.540 4.890 4.350 0.000 0.000 0.282 204 T C -0.625 173.962 174.700 -0.189 0.000 0.990 204 T CA -0.356 61.709 62.100 -0.057 0.000 1.028 204 T CB 0.487 69.340 68.868 -0.025 0.000 0.951 204 T HN 0.609 nan 8.240 nan 0.000 0.460 205 H N 2.592 121.691 119.070 0.049 0.000 2.547 205 H HA 0.361 4.917 4.556 0.000 0.000 0.342 205 H C -0.135 175.247 175.328 0.090 0.000 1.048 205 H CA -0.968 55.122 56.048 0.071 0.000 1.204 205 H CB 1.316 31.122 29.762 0.073 0.000 1.493 205 H HN 0.211 nan 8.280 nan 0.000 0.511 206 R N 1.521 122.130 120.500 0.182 0.000 2.390 206 R HA 0.113 4.454 4.340 0.000 0.000 0.291 206 R C 1.013 177.448 176.300 0.224 0.000 1.070 206 R CA -0.271 55.933 56.100 0.173 0.000 1.014 206 R CB 0.427 30.800 30.300 0.121 0.000 1.007 206 R HN 0.732 nan 8.270 nan 0.000 0.466 207 T N -2.654 112.059 114.554 0.266 0.000 3.044 207 T HA 0.235 4.585 4.350 0.000 0.000 0.260 207 T C -0.002 174.941 174.700 0.405 0.000 1.019 207 T CA -0.515 61.772 62.100 0.311 0.000 0.921 207 T CB 0.206 69.276 68.868 0.338 0.000 1.053 207 T HN 0.624 nan 8.240 nan 0.000 0.533 208 W N 0.595 121.985 121.300 0.149 0.000 3.901 208 W HA 0.510 5.170 4.660 0.000 0.000 0.274 208 W C -2.101 174.500 176.519 0.137 0.000 1.278 208 W CA -0.441 56.990 57.345 0.143 0.000 1.235 208 W CB 1.070 30.644 29.460 0.190 0.000 1.261 208 W HN -0.005 nan 8.180 nan 0.000 0.546 209 T N 5.801 119.987 114.554 -0.614 0.000 2.933 209 T HA 0.571 4.921 4.350 0.000 0.000 0.305 209 T C -2.769 171.260 174.700 -1.119 0.000 1.092 209 T CA -1.405 60.347 62.100 -0.579 0.000 1.008 209 T CB 1.442 70.167 68.868 -0.239 0.000 1.102 209 T HN 0.150 nan 8.240 nan 0.000 0.469 210 P HA 0.254 nan 4.420 nan 0.000 0.264 210 P C 0.122 177.186 177.300 -0.393 0.000 1.183 210 P CA -0.023 62.715 63.100 -0.603 0.000 0.763 210 P CB 0.288 31.901 31.700 -0.144 0.000 0.807 211 G N 1.959 110.577 108.800 -0.304 0.000 2.483 211 G HA2 0.229 4.189 3.960 0.000 0.000 0.248 211 G HA3 0.229 4.189 3.960 0.000 0.000 0.248 211 G C 0.487 175.322 174.900 -0.109 0.000 1.248 211 G CA -0.467 44.523 45.100 -0.183 0.000 0.838 211 G HN 0.507 nan 8.290 nan 0.000 0.566 212 L N 1.048 122.223 121.223 -0.081 0.000 2.664 212 L HA 0.180 4.520 4.340 0.000 0.000 0.233 212 L C 1.198 178.049 176.870 -0.032 0.000 1.113 212 L CA 0.018 54.829 54.840 -0.048 0.000 0.896 212 L CB 0.082 42.116 42.059 -0.042 0.000 1.163 212 L HN 0.530 nan 8.230 nan 0.000 0.497 213 S N 0.190 115.869 115.700 -0.035 0.000 2.578 213 S HA 0.599 5.069 4.470 0.000 0.000 0.283 213 S C -0.120 174.470 174.600 -0.018 0.000 1.195 213 S CA -0.950 57.236 58.200 -0.022 0.000 1.050 213 S CB 1.958 65.146 63.200 -0.021 0.000 1.012 213 S HN 0.039 nan 8.310 nan 0.000 0.511 214 R N 1.061 121.555 120.500 -0.010 0.000 2.540 214 R HA 0.510 4.850 4.340 0.000 0.000 0.287 214 R C -0.363 175.937 176.300 -0.001 0.000 0.980 214 R CA -0.821 55.276 56.100 -0.005 0.000 0.966 214 R CB 0.981 31.280 30.300 -0.001 0.000 1.106 214 R HN 0.724 nan 8.270 nan 0.000 0.480 215 R N 1.909 122.412 120.500 0.004 0.000 2.338 215 R HA 0.399 4.739 4.340 0.000 0.000 0.317 215 R C -0.594 175.715 176.300 0.014 0.000 0.968 215 R CA -0.275 55.830 56.100 0.008 0.000 0.849 215 R CB 0.511 30.817 30.300 0.010 0.000 1.128 215 R HN 0.618 nan 8.270 nan 0.000 0.448 216 I N 6.214 126.791 120.570 0.013 0.000 2.325 216 I HA 0.284 4.455 4.170 0.000 0.000 0.291 216 I C -0.451 175.679 176.117 0.021 0.000 1.019 216 I CA -0.352 60.958 61.300 0.017 0.000 1.302 216 I CB 0.805 38.812 38.000 0.011 0.000 1.401 216 I HN 0.428 nan 8.210 nan 0.000 0.485 217 L N 8.063 129.304 121.223 0.030 0.000 2.370 217 L HA 0.538 4.878 4.340 0.000 0.000 0.266 217 L C -2.223 174.673 176.870 0.043 0.000 1.002 217 L CA -1.958 52.903 54.840 0.034 0.000 0.818 217 L CB 2.256 44.338 42.059 0.038 0.000 1.325 217 L HN 0.389 nan 8.230 nan 0.000 0.418 218 P HA 0.009 nan 4.420 nan 0.000 0.262 218 P C 0.090 177.432 177.300 0.070 0.000 1.199 218 P CA 0.119 63.248 63.100 0.047 0.000 0.763 218 P CB 0.650 32.374 31.700 0.039 0.000 0.790 219 E N 2.734 122.987 120.200 0.089 0.000 2.236 219 E HA -0.252 4.098 4.350 0.000 0.000 0.205 219 E C 2.059 178.760 176.600 0.169 0.000 1.028 219 E CA 1.886 58.377 56.400 0.152 0.000 0.827 219 E CB -0.534 29.261 29.700 0.158 0.000 0.735 219 E HN 0.715 nan 8.360 nan 0.000 0.470 220 G N 1.138 110.011 108.800 0.121 0.000 2.394 220 G HA2 -0.296 3.664 3.960 0.000 0.000 0.214 220 G HA3 -0.296 3.664 3.960 0.000 0.000 0.214 220 G C 1.402 176.345 174.900 0.072 0.000 1.176 220 G CA 0.697 45.858 45.100 0.102 0.000 0.786 220 G HN 0.300 nan 8.290 nan 0.000 0.533 221 E N 0.498 120.734 120.200 0.060 0.000 2.204 221 E HA 0.041 4.391 4.350 0.000 0.000 0.194 221 E C 2.648 179.274 176.600 0.043 0.000 0.989 221 E CA 0.831 57.257 56.400 0.043 0.000 0.824 221 E CB -0.170 29.552 29.700 0.036 0.000 0.756 221 E HN 0.329 nan 8.360 nan 0.000 0.477 222 A N 0.566 123.422 122.820 0.060 0.000 1.873 222 A HA -0.120 4.200 4.320 0.000 0.000 0.215 222 A C 2.387 179.997 177.584 0.043 0.000 1.186 222 A CA 1.380 53.452 52.037 0.059 0.000 0.616 222 A CB -0.702 18.352 19.000 0.089 0.000 0.823 222 A HN 0.211 nan 8.150 nan 0.000 0.442 223 V N -0.072 119.870 119.914 0.047 0.000 2.343 223 V HA -0.255 3.865 4.120 0.000 0.000 0.247 223 V C 3.040 179.121 176.094 -0.021 0.000 1.051 223 V CA 2.023 64.312 62.300 -0.018 0.000 1.036 223 V CB -1.213 30.588 31.823 -0.036 0.000 0.654 223 V HN 0.617 nan 8.190 nan 0.000 0.451 224 A N -0.151 122.671 122.820 0.004 0.000 1.930 224 A HA -0.038 4.282 4.320 0.000 0.000 0.217 224 A C 2.423 180.008 177.584 0.002 0.000 1.175 224 A CA 1.838 53.876 52.037 0.002 0.000 0.627 224 A CB -0.723 18.284 19.000 0.013 0.000 0.815 224 A HN 0.558 nan 8.150 nan 0.000 0.443 225 A N -0.430 122.396 122.820 0.009 0.000 1.933 225 A HA -0.021 4.299 4.320 0.000 0.000 0.218 225 A C 2.214 179.801 177.584 0.005 0.000 1.175 225 A CA 1.799 53.842 52.037 0.009 0.000 0.628 225 A CB -0.933 18.076 19.000 0.016 0.000 0.814 225 A HN 0.378 nan 8.150 nan 0.000 0.444 226 V N 0.127 120.043 119.914 0.004 0.000 2.287 226 V HA -0.267 3.853 4.120 0.000 0.000 0.248 226 V C 2.699 178.792 176.094 -0.000 0.000 1.053 226 V CA 2.443 64.747 62.300 0.006 0.000 1.027 226 V CB -0.816 31.009 31.823 0.002 0.000 0.646 226 V HN 0.663 nan 8.190 nan 0.000 0.447 227 R N 1.146 121.639 120.500 -0.011 0.000 2.073 227 R HA -0.092 4.248 4.340 0.000 0.000 0.234 227 R C 2.158 178.448 176.300 -0.016 0.000 1.134 227 R CA 2.072 58.163 56.100 -0.016 0.000 0.952 227 R CB -1.114 29.175 30.300 -0.019 0.000 0.850 227 R HN 0.430 nan 8.270 nan 0.000 0.433 228 A N 0.117 122.930 122.820 -0.011 0.000 1.933 228 A HA -0.004 4.316 4.320 0.000 0.000 0.218 228 A C 2.357 179.931 177.584 -0.016 0.000 1.175 228 A CA 1.814 53.845 52.037 -0.010 0.000 0.628 228 A CB -0.995 18.003 19.000 -0.003 0.000 0.814 228 A HN 0.504 nan 8.150 nan 0.000 0.444 229 A N -0.430 122.382 122.820 -0.015 0.000 1.855 229 A HA 0.033 4.354 4.320 0.000 0.000 0.215 229 A C 2.110 179.667 177.584 -0.044 0.000 1.191 229 A CA 1.634 53.659 52.037 -0.021 0.000 0.613 229 A CB -0.730 18.264 19.000 -0.011 0.000 0.829 229 A HN 0.713 nan 8.150 nan 0.000 0.442 230 L N 0.055 121.247 121.223 -0.052 0.000 2.042 230 L HA -0.170 4.170 4.340 0.000 0.000 0.210 230 L C 2.183 178.988 176.870 -0.108 0.000 1.076 230 L CA 2.830 57.603 54.840 -0.110 0.000 0.749 230 L CB -0.827 41.162 42.059 -0.117 0.000 0.893 230 L HN 0.481 nan 8.230 nan 0.000 0.432 231 E N -0.172 119.989 120.200 -0.065 0.000 2.118 231 E HA -0.261 4.089 4.350 0.000 0.000 0.195 231 E C 2.276 178.845 176.600 -0.050 0.000 0.992 231 E CA 1.636 58.007 56.400 -0.050 0.000 0.804 231 E CB -0.184 29.500 29.700 -0.026 0.000 0.741 231 E HN 0.540 nan 8.360 nan 0.000 0.458 232 K N -0.494 119.879 120.400 -0.046 0.000 2.007 232 K HA -0.065 4.255 4.320 0.000 0.000 0.206 232 K C 2.107 178.669 176.600 -0.064 0.000 1.047 232 K CA 1.107 57.370 56.287 -0.039 0.000 0.937 232 K CB -0.303 32.183 32.500 -0.025 0.000 0.718 232 K HN 0.146 nan 8.250 nan 0.000 0.438 233 A N 0.940 123.708 122.820 -0.088 0.000 1.927 233 A HA -0.177 4.143 4.320 0.000 0.000 0.220 233 A C 2.270 179.741 177.584 -0.189 0.000 1.185 233 A CA 2.037 53.991 52.037 -0.139 0.000 0.639 233 A CB -0.884 18.032 19.000 -0.140 0.000 0.820 233 A HN 0.217 nan 8.150 nan 0.000 0.451 234 V N -0.436 119.387 119.914 -0.152 0.000 2.295 234 V HA -0.233 3.887 4.120 0.000 0.000 0.246 234 V C 3.078 179.114 176.094 -0.096 0.000 1.049 234 V CA 2.001 64.221 62.300 -0.132 0.000 1.024 234 V CB -1.231 30.531 31.823 -0.102 0.000 0.648 234 V HN 0.653 nan 8.190 nan 0.000 0.447 235 A N -0.868 121.912 122.820 -0.067 0.000 1.908 235 A HA -0.313 4.007 4.320 0.000 0.000 0.218 235 A C 2.129 179.697 177.584 -0.028 0.000 1.181 235 A CA 2.043 54.058 52.037 -0.037 0.000 0.627 235 A CB -0.538 18.448 19.000 -0.024 0.000 0.818 235 A HN 0.651 nan 8.150 nan 0.000 0.445 236 Q N -1.021 118.750 119.800 -0.047 0.000 2.291 236 Q HA -0.091 4.249 4.340 0.000 0.000 0.206 236 Q C 1.860 177.854 176.000 -0.009 0.000 0.976 236 Q CA 1.157 56.957 55.803 -0.004 0.000 0.875 236 Q CB -0.067 28.669 28.738 -0.004 0.000 0.927 236 Q HN 0.632 nan 8.270 nan 0.000 0.450 237 R N -0.397 120.020 120.500 -0.138 0.000 2.312 237 R HA 0.147 4.487 4.340 0.000 0.000 0.205 237 R C -0.165 176.156 176.300 0.036 0.000 0.904 237 R CA -0.082 55.957 56.100 -0.101 0.000 1.052 237 R CB 0.832 30.977 30.300 -0.258 0.000 1.014 237 R HN -0.054 nan 8.270 nan 0.000 0.503 238 V N 1.296 121.222 119.914 0.021 0.000 2.472 238 V HA 0.182 4.302 4.120 0.000 0.000 0.290 238 V C 0.228 176.350 176.094 0.046 0.000 1.037 238 V CA -0.464 61.857 62.300 0.035 0.000 0.908 238 V CB 1.894 33.723 31.823 0.010 0.000 0.985 238 V HN 0.048 nan 8.190 nan 0.000 0.454 239 T N 7.138 121.723 114.554 0.051 0.000 2.728 239 T HA 0.306 4.656 4.350 0.000 0.000 0.296 239 T C -2.411 172.304 174.700 0.024 0.000 0.940 239 T CA -0.941 61.184 62.100 0.040 0.000 1.013 239 T CB 1.080 69.975 68.868 0.045 0.000 0.912 239 T HN 0.543 nan 8.240 nan 0.000 0.484 240 P HA 0.175 nan 4.420 nan 0.000 0.263 240 P C 0.880 178.183 177.300 0.006 0.000 1.195 240 P CA 0.433 63.537 63.100 0.007 0.000 0.762 240 P CB 0.481 32.184 31.700 0.004 0.000 0.799 241 G N 2.044 110.845 108.800 0.003 0.000 2.157 241 G HA2 -0.202 3.758 3.960 0.000 0.000 0.239 241 G HA3 -0.202 3.758 3.960 0.000 0.000 0.239 241 G C -0.331 174.575 174.900 0.010 0.000 0.982 241 G CA 0.194 45.296 45.100 0.004 0.000 0.650 241 G HN 0.723 nan 8.290 nan 0.000 0.527 242 D N -0.045 120.364 120.400 0.014 0.000 2.855 242 D HA 0.548 5.188 4.640 0.000 0.000 0.241 242 D C -0.031 176.283 176.300 0.023 0.000 1.277 242 D CA -0.244 53.770 54.000 0.024 0.000 0.918 242 D CB 1.133 41.955 40.800 0.037 0.000 1.462 242 D HN -0.033 nan 8.370 nan 0.000 0.559 243 T N 5.645 120.213 114.554 0.022 0.000 2.761 243 T HA 0.332 4.682 4.350 0.000 0.000 0.296 243 T C -2.142 172.580 174.700 0.036 0.000 0.934 243 T CA -0.880 61.232 62.100 0.019 0.000 1.091 243 T CB 1.097 69.975 68.868 0.017 0.000 0.896 243 T HN 0.338 nan 8.240 nan 0.000 0.515 244 P HA 0.323 nan 4.420 nan 0.000 0.274 244 P C -0.932 176.398 177.300 0.049 0.000 1.256 244 P CA -0.777 62.354 63.100 0.052 0.000 0.795 244 P CB 0.832 32.560 31.700 0.047 0.000 1.038 245 L N 1.337 122.590 121.223 0.050 0.000 2.341 245 L HA 0.447 4.787 4.340 0.000 0.000 0.278 245 L C -1.040 175.858 176.870 0.047 0.000 1.005 245 L CA -0.685 54.179 54.840 0.039 0.000 0.818 245 L CB 1.646 43.715 42.059 0.017 0.000 1.259 245 L HN 0.047 nan 8.230 nan 0.000 0.418 246 V N 5.390 125.338 119.914 0.057 0.000 2.448 246 V HA 0.387 4.508 4.120 0.000 0.000 0.295 246 V C -0.312 175.830 176.094 0.080 0.000 1.025 246 V CA -0.842 61.502 62.300 0.072 0.000 0.859 246 V CB 1.979 33.850 31.823 0.080 0.000 0.988 246 V HN 0.595 nan 8.190 nan 0.000 0.431 247 V N 4.379 124.351 119.914 0.096 0.000 2.397 247 V HA 0.455 4.575 4.120 0.000 0.000 0.262 247 V C -0.268 175.887 176.094 0.102 0.000 1.047 247 V CA -0.229 62.124 62.300 0.089 0.000 1.003 247 V CB 0.539 32.419 31.823 0.095 0.000 1.037 247 V HN 0.601 nan 8.190 nan 0.000 0.480 248 L N 5.070 126.363 121.223 0.117 0.000 2.322 248 L HA 0.720 5.060 4.340 0.000 0.000 0.279 248 L C 0.956 177.908 176.870 0.135 0.000 1.036 248 L CA 0.935 55.854 54.840 0.132 0.000 0.807 248 L CB 2.208 44.364 42.059 0.161 0.000 1.226 248 L HN 0.853 nan 8.230 nan 0.000 0.433 249 S N 1.047 116.806 115.700 0.098 0.000 2.780 249 S HA 0.396 4.866 4.470 0.000 0.000 0.248 249 S C 1.043 175.679 174.600 0.059 0.000 1.036 249 S CA 0.171 58.422 58.200 0.084 0.000 1.061 249 S CB 0.218 63.446 63.200 0.047 0.000 1.037 249 S HN 1.520 nan 8.310 nan 0.000 0.584 250 G N 1.015 109.845 108.800 0.050 0.000 2.304 250 G HA2 -0.197 3.763 3.960 0.000 0.000 0.252 250 G HA3 -0.197 3.763 3.960 0.000 0.000 0.252 250 G C 0.722 175.625 174.900 0.004 0.000 1.014 250 G CA 0.064 45.176 45.100 0.021 0.000 0.619 250 G HN 1.269 nan 8.290 nan 0.000 0.525 251 G N -0.414 108.388 108.800 0.004 0.000 2.667 251 G HA2 0.460 4.420 3.960 0.000 0.000 0.250 251 G HA3 0.460 4.420 3.960 0.000 0.000 0.250 251 G C 1.157 176.051 174.900 -0.009 0.000 1.212 251 G CA 0.248 45.340 45.100 -0.013 0.000 0.874 251 G HN 0.750 nan 8.290 nan 0.000 0.561 252 I N 0.010 120.566 120.570 -0.024 0.000 2.179 252 I HA -0.116 4.054 4.170 0.000 0.000 0.242 252 I C 2.117 178.246 176.117 0.020 0.000 1.088 252 I CA 1.642 62.932 61.300 -0.017 0.000 1.357 252 I CB -0.270 37.706 38.000 -0.039 0.000 1.051 252 I HN 0.502 nan 8.210 nan 0.000 0.409 253 D N 0.269 120.660 120.400 -0.014 0.000 2.108 253 D HA -0.215 4.425 4.640 0.000 0.000 0.190 253 D C 2.451 178.898 176.300 0.243 0.000 0.995 253 D CA 2.262 56.279 54.000 0.027 0.000 0.834 253 D CB -0.756 39.951 40.800 -0.156 0.000 0.967 253 D HN 0.514 nan 8.370 nan 0.000 0.446 254 S N -0.311 115.476 115.700 0.144 0.000 2.428 254 S HA -0.036 4.434 4.470 0.000 0.000 0.230 254 S C 2.071 176.739 174.600 0.112 0.000 1.014 254 S CA 0.922 59.212 58.200 0.151 0.000 0.957 254 S CB -0.165 63.101 63.200 0.110 0.000 0.784 254 S HN 0.034 nan 8.310 nan 0.000 0.499 255 S N 1.873 117.621 115.700 0.080 0.000 2.368 255 S HA 0.079 4.549 4.470 0.000 0.000 0.224 255 S C 2.145 176.776 174.600 0.052 0.000 1.029 255 S CA 1.031 59.259 58.200 0.047 0.000 0.988 255 S CB -1.032 62.174 63.200 0.010 0.000 0.838 255 S HN 0.749 nan 8.310 nan 0.000 0.462 256 G N 1.324 110.174 108.800 0.083 0.000 2.422 256 G HA2 -0.149 3.811 3.960 0.000 0.000 0.218 256 G HA3 -0.149 3.811 3.960 0.000 0.000 0.218 256 G C 1.428 176.353 174.900 0.040 0.000 1.146 256 G CA 0.978 46.124 45.100 0.077 0.000 0.769 256 G HN 0.424 nan 8.290 nan 0.000 0.547 257 V N 1.483 121.425 119.914 0.047 0.000 2.358 257 V HA -0.099 4.021 4.120 0.000 0.000 0.246 257 V C 3.308 179.415 176.094 0.022 0.000 1.047 257 V CA 1.911 64.200 62.300 -0.018 0.000 1.035 257 V CB -0.842 30.981 31.823 -0.001 0.000 0.658 257 V HN 0.472 nan 8.190 nan 0.000 0.452 258 A N 0.256 123.109 122.820 0.056 0.000 1.883 258 A HA -0.165 4.155 4.320 0.000 0.000 0.217 258 A C 2.464 180.103 177.584 0.091 0.000 1.186 258 A CA 2.285 54.367 52.037 0.076 0.000 0.624 258 A CB -0.944 18.104 19.000 0.079 0.000 0.822 258 A HN 0.575 nan 8.150 nan 0.000 0.444 259 A N -0.947 121.913 122.820 0.067 0.000 1.908 259 A HA -0.219 4.101 4.320 0.000 0.000 0.218 259 A C 2.340 179.978 177.584 0.090 0.000 1.181 259 A CA 1.897 53.978 52.037 0.074 0.000 0.627 259 A CB -1.327 17.697 19.000 0.039 0.000 0.818 259 A HN 0.638 nan 8.150 nan 0.000 0.445 260 C N -1.240 118.088 119.300 0.046 0.000 2.446 260 C HA 0.151 4.611 4.460 0.000 0.000 0.277 260 C C 3.328 178.338 174.990 0.032 0.000 1.275 260 C CA 0.547 59.579 59.018 0.023 0.000 1.727 260 C CB -1.357 26.367 27.740 -0.026 0.000 2.010 260 C HN 0.714 nan 8.230 nan 0.000 0.486 261 A N 0.204 123.047 122.820 0.037 0.000 1.908 261 A HA -0.272 4.049 4.320 0.000 0.000 0.218 261 A C 1.874 179.486 177.584 0.048 0.000 1.181 261 A CA 2.357 54.413 52.037 0.033 0.000 0.627 261 A CB -1.115 17.910 19.000 0.041 0.000 0.818 261 A HN 0.779 nan 8.150 nan 0.000 0.445 262 H N -0.402 118.678 119.070 0.016 0.000 2.319 262 H HA -0.154 4.402 4.556 0.000 0.000 0.299 262 H C 2.259 177.596 175.328 0.014 0.000 1.092 262 H CA 2.261 58.321 56.048 0.021 0.000 1.302 262 H CB -0.153 29.627 29.762 0.030 0.000 1.373 262 H HN 0.435 nan 8.280 nan 0.000 0.497 263 R N -0.013 120.534 120.500 0.078 0.000 2.105 263 R HA -0.136 4.204 4.340 0.000 0.000 0.239 263 R C 2.337 178.613 176.300 -0.040 0.000 1.135 263 R CA 1.224 57.340 56.100 0.026 0.000 0.967 263 R CB -0.423 29.913 30.300 0.059 0.000 0.861 263 R HN 0.451 nan 8.270 nan 0.000 0.442 264 A N 0.277 123.078 122.820 -0.031 0.000 1.898 264 A HA -0.040 4.280 4.320 0.000 0.000 0.216 264 A C 2.180 179.732 177.584 -0.053 0.000 1.181 264 A CA 1.641 53.658 52.037 -0.034 0.000 0.620 264 A CB -0.442 18.545 19.000 -0.022 0.000 0.819 264 A HN 0.518 nan 8.150 nan 0.000 0.442 265 A N -2.729 120.041 122.820 -0.083 0.000 2.044 265 A HA 0.429 4.749 4.320 0.000 0.000 0.213 265 A C 1.946 179.449 177.584 -0.135 0.000 1.169 265 A CA 1.270 53.255 52.037 -0.087 0.000 0.724 265 A CB -0.469 18.491 19.000 -0.067 0.000 0.840 265 A HN 1.832 nan 8.150 nan 0.000 0.463 266 G N -0.639 108.015 108.800 -0.244 0.000 2.195 266 G HA2 -0.219 3.741 3.960 0.000 0.000 0.246 266 G HA3 -0.219 3.741 3.960 0.000 0.000 0.246 266 G C -0.024 174.637 174.900 -0.398 0.000 0.984 266 G CA 0.820 45.758 45.100 -0.270 0.000 0.633 266 G HN 1.287 nan 8.290 nan 0.000 0.525 267 E N -1.749 118.208 120.200 -0.405 0.000 2.439 267 E HA 0.793 5.143 4.350 0.000 0.000 0.279 267 E C -1.577 174.980 176.600 -0.072 0.000 1.077 267 E CA -1.196 55.070 56.400 -0.222 0.000 0.849 267 E CB 1.496 31.164 29.700 -0.052 0.000 1.408 267 E HN 0.979 nan 8.360 nan 0.000 0.457 268 L N 0.556 121.839 121.223 0.101 0.000 2.582 268 L HA 0.546 4.886 4.340 0.000 0.000 0.257 268 L C -2.184 174.747 176.870 0.102 0.000 0.974 268 L CA -0.277 54.630 54.840 0.113 0.000 0.851 268 L CB 2.398 44.570 42.059 0.188 0.000 1.424 268 L HN 0.674 nan 8.230 nan 0.000 0.412 269 D N 1.081 121.526 120.400 0.076 0.000 2.252 269 D HA 0.828 5.468 4.640 0.000 0.000 0.245 269 D C -0.788 175.550 176.300 0.063 0.000 1.009 269 D CA 0.138 54.172 54.000 0.058 0.000 0.870 269 D CB 2.155 42.975 40.800 0.032 0.000 1.251 269 D HN 0.720 nan 8.370 nan 0.000 0.460 270 T N -2.371 112.216 114.554 0.054 0.000 2.883 270 T HA 0.713 5.063 4.350 0.000 0.000 0.301 270 T C -1.116 173.499 174.700 -0.142 0.000 1.158 270 T CA -0.935 61.204 62.100 0.064 0.000 1.007 270 T CB 1.597 70.615 68.868 0.249 0.000 1.186 270 T HN 0.196 nan 8.240 nan 0.000 0.499 271 V N 0.743 120.559 119.914 -0.162 0.000 2.777 271 V HA 0.740 4.861 4.120 0.000 0.000 0.306 271 V C -1.269 174.736 176.094 -0.148 0.000 1.112 271 V CA -0.266 61.833 62.300 -0.334 0.000 0.917 271 V CB 2.270 33.981 31.823 -0.186 0.000 1.018 271 V HN 1.221 nan 8.190 nan 0.000 0.426 272 S N 6.821 122.418 115.700 -0.171 0.000 2.532 272 S HA 0.857 5.327 4.470 0.000 0.000 0.301 272 S C -0.519 174.179 174.600 0.164 0.000 1.083 272 S CA -0.591 57.687 58.200 0.131 0.000 1.025 272 S CB 1.615 65.047 63.200 0.386 0.000 1.056 272 S HN 1.074 nan 8.310 nan 0.000 0.494 273 M N 1.079 120.826 119.600 0.245 0.000 2.535 273 M HA 0.951 5.431 4.480 0.000 0.000 0.314 273 M C -0.389 176.073 176.300 0.269 0.000 1.153 273 M CA -0.217 55.223 55.300 0.234 0.000 0.924 273 M CB 1.648 34.284 32.600 0.061 0.000 1.710 273 M HN 0.602 nan 8.290 nan 0.000 0.451 274 G N 0.615 109.556 108.800 0.236 0.000 2.703 274 G HA2 0.612 4.572 3.960 0.000 0.000 0.294 274 G HA3 0.612 4.572 3.960 0.000 0.000 0.294 274 G C -1.027 173.877 174.900 0.008 0.000 1.451 274 G CA -0.259 44.821 45.100 -0.034 0.000 0.869 274 G HN 1.072 nan 8.290 nan 0.000 0.516 275 T N -1.935 112.588 114.554 -0.050 0.000 2.902 275 T HA 0.417 4.767 4.350 0.000 0.000 0.287 275 T C 1.125 175.806 174.700 -0.031 0.000 1.048 275 T CA 0.524 62.613 62.100 -0.019 0.000 0.941 275 T CB 1.248 70.105 68.868 -0.018 0.000 1.432 275 T HN 0.489 nan 8.240 nan 0.000 0.586 276 D N 0.057 120.449 120.400 -0.013 0.000 2.149 276 D HA -0.114 4.526 4.640 0.000 0.000 0.201 276 D C 2.065 178.348 176.300 -0.028 0.000 0.972 276 D CA 1.727 55.721 54.000 -0.010 0.000 0.835 276 D CB -1.139 39.661 40.800 0.001 0.000 0.966 276 D HN 0.712 nan 8.370 nan 0.000 0.476 277 T N -0.315 114.221 114.554 -0.030 0.000 2.612 277 T HA -0.074 4.276 4.350 0.000 0.000 0.251 277 T C 1.438 176.102 174.700 -0.060 0.000 1.090 277 T CA 1.107 63.187 62.100 -0.033 0.000 1.198 277 T CB -0.523 68.332 68.868 -0.021 0.000 0.878 277 T HN 0.274 nan 8.240 nan 0.000 0.401 278 S N 1.898 117.553 115.700 -0.076 0.000 2.664 278 S HA 0.658 5.129 4.470 0.000 0.000 0.304 278 S C -0.875 173.604 174.600 -0.202 0.000 1.099 278 S CA -0.591 57.541 58.200 -0.113 0.000 1.003 278 S CB 1.372 64.525 63.200 -0.079 0.000 1.092 278 S HN 1.051 nan 8.310 nan 0.000 0.525 279 N N -0.271 118.265 118.700 -0.273 0.000 3.043 279 N HA 0.286 5.026 4.740 0.000 0.000 0.243 279 N C -1.790 173.497 175.510 -0.371 0.000 1.347 279 N CA -0.800 51.953 53.050 -0.495 0.000 0.896 279 N CB 0.746 38.613 38.487 -1.033 0.000 1.501 279 N HN 0.621 nan 8.380 nan 0.000 0.504 280 E N -0.167 119.842 120.200 -0.318 0.000 2.989 280 E HA 0.311 4.661 4.350 0.000 0.000 0.207 280 E C -0.241 176.410 176.600 0.085 0.000 0.989 280 E CA -0.355 55.993 56.400 -0.086 0.000 1.186 280 E CB -0.049 29.639 29.700 -0.020 0.000 1.141 280 E HN 0.490 nan 8.360 nan 0.000 0.454 281 F N 0.790 120.751 119.950 0.018 0.000 2.102 281 F HA -0.194 4.333 4.527 0.000 0.000 0.298 281 F C 2.670 178.459 175.800 -0.018 0.000 1.105 281 F CA 0.689 58.701 58.000 0.020 0.000 1.239 281 F CB 0.009 39.031 39.000 0.036 0.000 0.991 281 F HN 0.122 nan 8.300 nan 0.000 0.474 282 R N 0.917 121.522 120.500 0.175 0.000 2.096 282 R HA -0.213 4.127 4.340 0.000 0.000 0.240 282 R C 1.887 178.211 176.300 0.040 0.000 1.139 282 R CA 2.060 58.208 56.100 0.080 0.000 0.952 282 R CB -0.183 30.146 30.300 0.048 0.000 0.854 282 R HN 0.143 nan 8.270 nan 0.000 0.436 283 E N 0.411 120.634 120.200 0.037 0.000 2.038 283 E HA -0.165 4.185 4.350 0.000 0.000 0.195 283 E C 1.921 178.523 176.600 0.003 0.000 1.000 283 E CA 1.761 58.170 56.400 0.014 0.000 0.803 283 E CB -0.454 29.254 29.700 0.012 0.000 0.750 283 E HN 0.507 nan 8.360 nan 0.000 0.448 284 A N 0.735 123.568 122.820 0.022 0.000 1.978 284 A HA -0.216 4.104 4.320 0.000 0.000 0.220 284 A C 2.138 179.637 177.584 -0.141 0.000 1.170 284 A CA 1.876 53.898 52.037 -0.026 0.000 0.636 284 A CB -0.485 18.537 19.000 0.037 0.000 0.810 284 A HN 0.072 nan 8.150 nan 0.000 0.448 285 R N 0.127 120.547 120.500 -0.134 0.000 2.117 285 R HA -0.115 4.225 4.340 0.000 0.000 0.243 285 R C 2.160 178.405 176.300 -0.092 0.000 1.143 285 R CA 1.825 57.830 56.100 -0.159 0.000 0.968 285 R CB -0.771 29.485 30.300 -0.073 0.000 0.863 285 R HN 0.445 nan 8.270 nan 0.000 0.444 286 A N -0.629 122.161 122.820 -0.049 0.000 1.940 286 A HA -0.112 4.208 4.320 0.000 0.000 0.219 286 A C 2.244 179.822 177.584 -0.011 0.000 1.176 286 A CA 1.802 53.826 52.037 -0.022 0.000 0.631 286 A CB -0.511 18.476 19.000 -0.022 0.000 0.814 286 A HN 0.192 nan 8.150 nan 0.000 0.446 287 V N -0.637 119.256 119.914 -0.035 0.000 2.407 287 V HA -0.167 3.953 4.120 0.000 0.000 0.245 287 V C 2.536 178.626 176.094 -0.006 0.000 1.041 287 V CA 1.628 63.917 62.300 -0.018 0.000 1.040 287 V CB -0.679 31.131 31.823 -0.023 0.000 0.671 287 V HN 0.355 nan 8.190 nan 0.000 0.455 288 V N 0.600 120.473 119.914 -0.068 0.000 2.255 288 V HA -0.278 3.842 4.120 0.000 0.000 0.247 288 V C 2.333 178.408 176.094 -0.031 0.000 1.051 288 V CA 2.344 64.601 62.300 -0.072 0.000 1.018 288 V CB -0.745 30.955 31.823 -0.205 0.000 0.641 288 V HN 0.565 nan 8.190 nan 0.000 0.445 289 D N -1.060 119.324 120.400 -0.027 0.000 2.117 289 D HA -0.202 4.438 4.640 0.000 0.000 0.197 289 D C 2.042 178.342 176.300 -0.001 0.000 0.987 289 D CA 1.918 55.911 54.000 -0.012 0.000 0.829 289 D CB -0.317 40.480 40.800 -0.005 0.000 0.961 289 D HN 0.648 nan 8.370 nan 0.000 0.460 290 H N -0.289 118.740 119.070 -0.067 0.000 2.357 290 H HA -0.020 4.536 4.556 0.000 0.000 0.301 290 H C 1.686 176.944 175.328 -0.117 0.000 1.082 290 H CA 1.029 57.032 56.048 -0.075 0.000 1.342 290 H CB 0.059 29.783 29.762 -0.065 0.000 1.389 290 H HN -0.050 nan 8.280 nan 0.000 0.511 291 L N 0.171 121.385 121.223 -0.015 0.000 2.509 291 L HA 0.127 4.467 4.340 0.000 0.000 0.222 291 L C 0.326 177.057 176.870 -0.232 0.000 1.123 291 L CA 0.477 55.190 54.840 -0.212 0.000 0.856 291 L CB -0.007 41.956 42.059 -0.161 0.000 0.985 291 L HN 0.216 nan 8.230 nan 0.000 0.456 292 R N 0.612 121.056 120.500 -0.094 0.000 3.209 292 R HA -0.138 4.203 4.340 0.000 0.000 0.252 292 R C 0.328 176.643 176.300 0.024 0.000 0.958 292 R CA 0.933 57.012 56.100 -0.035 0.000 0.651 292 R CB -2.855 27.423 30.300 -0.036 0.000 1.142 292 R HN 0.496 nan 8.270 nan 0.000 0.441 293 T N -3.140 111.440 114.554 0.042 0.000 2.897 293 T HA 0.538 4.888 4.350 0.000 0.000 0.278 293 T C 0.565 175.322 174.700 0.095 0.000 0.981 293 T CA -1.015 61.144 62.100 0.098 0.000 0.973 293 T CB 2.013 70.952 68.868 0.119 0.000 1.092 293 T HN 0.358 nan 8.240 nan 0.000 0.543 294 R N 0.891 121.448 120.500 0.095 0.000 2.825 294 R HA 0.268 4.608 4.340 0.000 0.000 0.261 294 R C -0.284 176.065 176.300 0.081 0.000 1.341 294 R CA -0.376 55.768 56.100 0.073 0.000 1.353 294 R CB -1.091 29.238 30.300 0.049 0.000 1.191 294 R HN 0.806 nan 8.270 nan 0.000 0.590 295 H N 1.318 120.383 119.070 -0.007 0.000 2.603 295 H HA 0.380 4.936 4.556 0.000 0.000 0.370 295 H C -0.534 174.763 175.328 -0.052 0.000 1.225 295 H CA 0.127 56.159 56.048 -0.027 0.000 1.410 295 H CB 0.700 30.440 29.762 -0.037 0.000 1.495 295 H HN 0.456 nan 8.280 nan 0.000 0.602 296 R N 1.961 122.054 120.500 -0.679 0.000 2.626 296 R HA 0.254 4.594 4.340 0.000 0.000 0.274 296 R C -1.450 174.514 176.300 -0.560 0.000 1.031 296 R CA -0.661 55.191 56.100 -0.412 0.000 0.898 296 R CB 1.304 31.448 30.300 -0.261 0.000 1.222 296 R HN 0.750 nan 8.270 nan 0.000 0.455 297 E N 4.217 124.198 120.200 -0.365 0.000 2.165 297 E HA 0.372 4.722 4.350 0.000 0.000 0.266 297 E C -0.787 175.635 176.600 -0.297 0.000 0.889 297 E CA -0.557 55.539 56.400 -0.506 0.000 0.756 297 E CB 2.140 31.356 29.700 -0.806 0.000 1.131 297 E HN 0.391 nan 8.360 nan 0.000 0.411 298 I N 2.292 122.764 120.570 -0.163 0.000 2.404 298 I HA 0.273 4.443 4.170 0.000 0.000 0.293 298 I C -0.354 175.848 176.117 0.143 0.000 0.992 298 I CA -0.413 60.879 61.300 -0.014 0.000 1.149 298 I CB 2.010 40.000 38.000 -0.017 0.000 1.315 298 I HN 0.347 nan 8.210 nan 0.000 0.446 299 T N 7.337 121.965 114.554 0.123 0.000 2.833 299 T HA 0.477 4.827 4.350 0.000 0.000 0.297 299 T C -0.456 174.289 174.700 0.075 0.000 1.015 299 T CA -0.288 61.907 62.100 0.158 0.000 0.963 299 T CB 0.999 69.974 68.868 0.178 0.000 0.955 299 T HN 0.417 nan 8.240 nan 0.000 0.449 300 I N 4.772 125.375 120.570 0.055 0.000 2.382 300 I HA 0.471 4.641 4.170 0.000 0.000 0.286 300 I C -2.673 173.453 176.117 0.015 0.000 1.002 300 I CA -2.978 58.336 61.300 0.022 0.000 1.135 300 I CB 1.994 39.996 38.000 0.004 0.000 1.288 300 I HN 0.314 nan 8.210 nan 0.000 0.448 301 P HA 0.016 nan 4.420 nan 0.000 0.266 301 P C 0.589 177.891 177.300 0.003 0.000 1.186 301 P CA 0.217 63.321 63.100 0.008 0.000 0.767 301 P CB 0.600 32.304 31.700 0.007 0.000 0.820 302 T N 0.659 115.215 114.554 0.004 0.000 2.635 302 T HA -0.219 4.131 4.350 0.000 0.000 0.267 302 T C 1.779 176.482 174.700 0.006 0.000 1.040 302 T CA 2.493 64.596 62.100 0.005 0.000 1.156 302 T CB -1.311 67.564 68.868 0.011 0.000 0.863 302 T HN 0.657 nan 8.240 nan 0.000 0.430 303 T N 0.935 115.494 114.554 0.008 0.000 2.699 303 T HA -0.211 4.139 4.350 0.000 0.000 0.268 303 T C 1.822 176.523 174.700 0.002 0.000 1.036 303 T CA 1.810 63.916 62.100 0.010 0.000 1.147 303 T CB -0.477 68.398 68.868 0.011 0.000 0.862 303 T HN 0.587 nan 8.240 nan 0.000 0.446 304 E N 0.432 120.630 120.200 -0.004 0.000 2.274 304 E HA 0.016 4.366 4.350 0.000 0.000 0.194 304 E C 2.109 178.693 176.600 -0.027 0.000 0.996 304 E CA 0.500 56.891 56.400 -0.015 0.000 0.840 304 E CB -0.187 29.504 29.700 -0.014 0.000 0.772 304 E HN 0.654 nan 8.360 nan 0.000 0.491 305 L N 0.103 121.312 121.223 -0.022 0.000 2.127 305 L HA -0.015 4.325 4.340 0.000 0.000 0.203 305 L C 2.058 178.902 176.870 -0.043 0.000 1.080 305 L CA 0.787 55.607 54.840 -0.032 0.000 0.768 305 L CB -0.014 42.032 42.059 -0.022 0.000 0.924 305 L HN 0.165 nan 8.230 nan 0.000 0.444 306 L N 0.061 121.263 121.223 -0.035 0.000 2.201 306 L HA -0.084 4.256 4.340 0.000 0.000 0.212 306 L C 2.727 179.566 176.870 -0.052 0.000 1.105 306 L CA 0.804 55.607 54.840 -0.061 0.000 0.775 306 L CB -0.765 41.280 42.059 -0.023 0.000 0.913 306 L HN 0.354 nan 8.230 nan 0.000 0.440 307 A N -0.633 122.174 122.820 -0.021 0.000 2.125 307 A HA -0.232 4.088 4.320 0.000 0.000 0.219 307 A C 2.124 179.721 177.584 0.022 0.000 1.156 307 A CA 1.240 53.278 52.037 0.001 0.000 0.671 307 A CB -0.327 18.675 19.000 0.003 0.000 0.794 307 A HN 0.360 nan 8.150 nan 0.000 0.459 308 Q N -0.669 119.126 119.800 -0.009 0.000 2.444 308 Q HA 0.224 4.564 4.340 0.000 0.000 0.206 308 Q C 1.594 177.637 176.000 0.072 0.000 0.948 308 Q CA 0.092 55.907 55.803 0.021 0.000 0.946 308 Q CB -0.449 28.258 28.738 -0.050 0.000 1.027 308 Q HN 0.728 nan 8.270 nan 0.000 0.513 309 L N 1.180 122.394 121.223 -0.016 0.000 1.997 309 L HA -0.230 4.110 4.340 0.000 0.000 0.216 309 L C -0.637 176.231 176.870 -0.002 0.000 1.074 309 L CA 1.806 56.599 54.840 -0.080 0.000 0.763 309 L CB -1.386 40.567 42.059 -0.177 0.000 0.890 309 L HN 0.307 nan 8.230 nan 0.000 0.434 310 P HA -0.205 nan 4.420 nan 0.000 0.218 310 P C 1.210 178.498 177.300 -0.021 0.000 1.149 310 P CA 1.626 64.706 63.100 -0.034 0.000 0.817 310 P CB -0.089 31.541 31.700 -0.117 0.000 0.785 311 Y N 0.902 121.188 120.300 -0.022 0.000 2.200 311 Y HA -0.044 4.506 4.550 0.000 0.000 0.290 311 Y C 2.926 178.916 175.900 0.150 0.000 1.137 311 Y CA 1.438 59.584 58.100 0.076 0.000 1.163 311 Y CB -1.382 37.113 38.460 0.060 0.000 0.988 311 Y HN -0.042 nan 8.280 nan 0.000 0.518 312 A N -0.565 122.392 122.820 0.227 0.000 1.933 312 A HA -0.134 4.186 4.320 0.000 0.000 0.218 312 A C 2.342 180.007 177.584 0.135 0.000 1.175 312 A CA 1.898 54.023 52.037 0.147 0.000 0.628 312 A CB -1.130 17.912 19.000 0.069 0.000 0.814 312 A HN 0.247 nan 8.150 nan 0.000 0.444 313 V N -2.366 117.629 119.914 0.133 0.000 2.427 313 V HA -0.221 3.899 4.120 0.000 0.000 0.248 313 V C 2.159 178.376 176.094 0.205 0.000 1.051 313 V CA 1.678 64.076 62.300 0.163 0.000 1.048 313 V CB -0.894 31.024 31.823 0.158 0.000 0.666 313 V HN 0.839 nan 8.190 nan 0.000 0.456 314 W N 1.090 122.358 121.300 -0.053 0.000 2.358 314 W HA -0.154 4.506 4.660 0.000 0.000 0.303 314 W C 2.454 178.935 176.519 -0.064 0.000 1.208 314 W CA 1.931 59.202 57.345 -0.124 0.000 1.274 314 W CB -0.440 28.873 29.460 -0.245 0.000 1.138 314 W HN 0.198 nan 8.180 nan 0.000 0.515 315 A N -0.431 122.439 122.820 0.083 0.000 1.874 315 A HA -0.119 4.201 4.320 0.000 0.000 0.214 315 A C 2.097 179.655 177.584 -0.044 0.000 1.189 315 A CA 2.283 54.284 52.037 -0.060 0.000 0.615 315 A CB -1.315 17.717 19.000 0.054 0.000 0.830 315 A HN 0.289 nan 8.150 nan 0.000 0.443 316 S N -1.181 114.537 115.700 0.030 0.000 2.496 316 S HA 0.033 4.503 4.470 0.000 0.000 0.224 316 S C 0.576 175.227 174.600 0.084 0.000 0.996 316 S CA 0.887 59.111 58.200 0.039 0.000 0.927 316 S CB -0.328 62.898 63.200 0.042 0.000 0.774 316 S HN 0.568 nan 8.310 nan 0.000 0.524 317 E N 0.605 120.874 120.200 0.115 0.000 2.660 317 E HA -0.184 4.166 4.350 0.000 0.000 0.260 317 E C -0.178 176.605 176.600 0.305 0.000 1.122 317 E CA 0.708 57.252 56.400 0.240 0.000 0.755 317 E CB -1.852 27.902 29.700 0.090 0.000 1.345 317 E HN 0.575 nan 8.360 nan 0.000 0.421 318 S N -0.281 115.520 115.700 0.168 0.000 2.593 318 S HA 0.492 4.962 4.470 0.000 0.000 0.297 318 S C 0.584 175.152 174.600 -0.054 0.000 1.112 318 S CA -0.182 58.035 58.200 0.029 0.000 1.043 318 S CB 1.986 65.205 63.200 0.031 0.000 1.054 318 S HN 0.444 nan 8.310 nan 0.000 0.516 319 V N 0.524 120.323 119.914 -0.191 0.000 3.214 319 V HA 0.462 4.582 4.120 0.000 0.000 0.330 319 V C 0.047 176.076 176.094 -0.108 0.000 1.403 319 V CA -0.393 61.781 62.300 -0.209 0.000 1.143 319 V CB -0.063 31.520 31.823 -0.401 0.000 1.098 319 V HN 0.744 nan 8.190 nan 0.000 0.463 320 D N 2.870 123.233 120.400 -0.061 0.000 2.359 320 D HA 0.330 4.970 4.640 0.000 0.000 0.230 320 D C -1.247 175.041 176.300 -0.020 0.000 1.118 320 D CA -1.943 52.037 54.000 -0.033 0.000 0.844 320 D CB 2.479 43.273 40.800 -0.009 0.000 1.059 320 D HN 0.184 nan 8.370 nan 0.000 0.493 321 P HA -0.150 nan 4.420 nan 0.000 0.218 321 P C 0.412 177.717 177.300 0.009 0.000 1.148 321 P CA 1.033 64.156 63.100 0.039 0.000 0.822 321 P CB 0.592 32.255 31.700 -0.062 0.000 0.784 322 D N -0.397 119.974 120.400 -0.049 0.000 2.144 322 D HA -0.099 4.541 4.640 0.000 0.000 0.200 322 D C 1.988 177.896 176.300 -0.653 0.000 0.978 322 D CA 0.818 54.664 54.000 -0.256 0.000 0.833 322 D CB -0.316 40.400 40.800 -0.140 0.000 0.961 322 D HN 0.104 nan 8.370 nan 0.000 0.470 323 I N 0.619 121.013 120.570 -0.293 0.000 2.480 323 I HA -0.101 4.069 4.170 0.000 0.000 0.251 323 I C 1.993 178.082 176.117 -0.047 0.000 1.124 323 I CA 0.522 61.748 61.300 -0.123 0.000 1.444 323 I CB -0.548 37.482 38.000 0.050 0.000 1.098 323 I HN 0.070 nan 8.210 nan 0.000 0.428 324 I N 1.005 121.549 120.570 -0.045 0.000 2.226 324 I HA -0.255 3.915 4.170 0.000 0.000 0.245 324 I C 2.402 178.504 176.117 -0.024 0.000 1.100 324 I CA 1.385 62.678 61.300 -0.012 0.000 1.374 324 I CB -1.064 36.931 38.000 -0.007 0.000 1.057 324 I HN 0.321 nan 8.210 nan 0.000 0.413 325 E N -0.185 119.990 120.200 -0.043 0.000 2.106 325 E HA -0.211 4.139 4.350 0.000 0.000 0.192 325 E C 2.326 178.986 176.600 0.099 0.000 0.984 325 E CA 1.081 57.487 56.400 0.012 0.000 0.806 325 E CB -0.143 29.587 29.700 0.049 0.000 0.750 325 E HN 0.543 nan 8.360 nan 0.000 0.458 326 Y N 0.385 120.735 120.300 0.083 0.000 2.181 326 Y HA -0.211 4.339 4.550 0.000 0.000 0.288 326 Y C 2.260 178.209 175.900 0.082 0.000 1.146 326 Y CA 0.347 58.503 58.100 0.093 0.000 1.164 326 Y CB -0.024 38.521 38.460 0.142 0.000 0.982 326 Y HN 0.037 nan 8.280 nan 0.000 0.515 327 L N -0.657 120.692 121.223 0.210 0.000 2.179 327 L HA -0.183 4.157 4.340 0.000 0.000 0.208 327 L C 2.360 179.257 176.870 0.046 0.000 1.096 327 L CA 0.466 55.367 54.840 0.102 0.000 0.779 327 L CB -0.577 41.522 42.059 0.066 0.000 0.922 327 L HN 0.300 nan 8.230 nan 0.000 0.443 328 L N 0.451 121.691 121.223 0.028 0.000 1.991 328 L HA -0.250 4.091 4.340 0.000 0.000 0.221 328 L C -0.068 176.787 176.870 -0.025 0.000 1.079 328 L CA 2.268 57.102 54.840 -0.011 0.000 0.778 328 L CB -1.337 40.691 42.059 -0.051 0.000 0.893 328 L HN 0.206 nan 8.230 nan 0.000 0.437 329 P HA -0.191 nan 4.420 nan 0.000 0.216 329 P C 1.629 178.861 177.300 -0.114 0.000 1.153 329 P CA 1.280 64.356 63.100 -0.041 0.000 0.858 329 P CB 0.060 31.756 31.700 -0.007 0.000 0.789 330 L N -1.371 119.768 121.223 -0.139 0.000 2.017 330 L HA -0.134 4.207 4.340 0.000 0.000 0.208 330 L C 2.574 179.164 176.870 -0.466 0.000 1.073 330 L CA 2.192 56.814 54.840 -0.364 0.000 0.745 330 L CB -2.199 39.721 42.059 -0.231 0.000 0.894 330 L HN 0.036 nan 8.230 nan 0.000 0.432 331 T N -1.126 113.349 114.554 -0.131 0.000 2.881 331 T HA -0.129 4.221 4.350 0.000 0.000 0.270 331 T C 1.838 176.523 174.700 -0.024 0.000 1.068 331 T CA 1.197 63.314 62.100 0.029 0.000 1.131 331 T CB -0.070 68.858 68.868 0.100 0.000 0.871 331 T HN 0.352 nan 8.240 nan 0.000 0.479 332 A N 0.633 123.401 122.820 -0.086 0.000 1.929 332 A HA 0.209 4.529 4.320 0.000 0.000 0.216 332 A C 2.298 179.830 177.584 -0.087 0.000 1.176 332 A CA 1.062 53.051 52.037 -0.080 0.000 0.628 332 A CB -0.704 18.254 19.000 -0.070 0.000 0.816 332 A HN 0.581 nan 8.150 nan 0.000 0.444 333 L N -1.576 119.544 121.223 -0.170 0.000 2.023 333 L HA -0.149 4.191 4.340 0.000 0.000 0.205 333 L C 2.514 179.337 176.870 -0.078 0.000 1.073 333 L CA 1.534 56.275 54.840 -0.165 0.000 0.745 333 L CB -0.419 41.474 42.059 -0.277 0.000 0.900 333 L HN 0.466 nan 8.230 nan 0.000 0.435 334 Y N 0.307 120.596 120.300 -0.018 0.000 2.151 334 Y HA -0.242 4.308 4.550 0.000 0.000 0.284 334 Y C 2.634 178.566 175.900 0.053 0.000 1.166 334 Y CA 1.118 59.217 58.100 -0.002 0.000 1.163 334 Y CB -0.737 37.739 38.460 0.027 0.000 0.974 334 Y HN 0.141 nan 8.280 nan 0.000 0.511 335 R N -0.222 120.382 120.500 0.172 0.000 2.323 335 R HA 0.133 4.474 4.340 0.000 0.000 0.198 335 R C 1.482 177.814 176.300 0.053 0.000 0.988 335 R CA 0.677 56.835 56.100 0.097 0.000 1.041 335 R CB -0.156 30.143 30.300 -0.002 0.000 0.926 335 R HN 0.290 nan 8.270 nan 0.000 0.476 336 A N 0.258 123.106 122.820 0.046 0.000 2.382 336 A HA 0.230 4.551 4.320 0.000 0.000 0.228 336 A C 0.770 178.373 177.584 0.032 0.000 1.217 336 A CA -0.313 51.736 52.037 0.021 0.000 0.923 336 A CB 0.366 19.363 19.000 -0.006 0.000 0.979 336 A HN 0.064 nan 8.150 nan 0.000 0.515 337 L N 0.163 121.421 121.223 0.058 0.000 2.467 337 L HA 0.151 4.492 4.340 0.000 0.000 0.270 337 L C 0.630 177.557 176.870 0.096 0.000 1.205 337 L CA -0.335 54.535 54.840 0.049 0.000 0.828 337 L CB 0.345 42.399 42.059 -0.009 0.000 1.101 337 L HN 0.175 nan 8.230 nan 0.000 0.479 338 D N 0.565 121.007 120.400 0.070 0.000 2.597 338 D HA 0.109 4.749 4.640 0.000 0.000 0.261 338 D C 1.132 177.481 176.300 0.082 0.000 1.023 338 D CA 0.518 54.559 54.000 0.069 0.000 0.927 338 D CB 0.042 40.864 40.800 0.036 0.000 1.168 338 D HN 0.635 nan 8.370 nan 0.000 0.491 339 G N 2.012 110.860 108.800 0.080 0.000 2.335 339 G HA2 0.152 4.113 3.960 0.000 0.000 0.285 339 G HA3 0.152 4.113 3.960 0.000 0.000 0.285 339 G C -1.872 173.096 174.900 0.113 0.000 1.448 339 G CA -0.326 44.823 45.100 0.082 0.000 1.070 339 G HN 0.066 nan 8.290 nan 0.000 0.564 340 P HA 0.307 nan 4.420 nan 0.000 0.276 340 P C -0.709 176.689 177.300 0.164 0.000 1.252 340 P CA -0.506 62.654 63.100 0.101 0.000 0.802 340 P CB 0.904 32.651 31.700 0.077 0.000 1.035 341 E N 1.072 121.319 120.200 0.078 0.000 2.529 341 E HA 0.018 4.368 4.350 0.000 0.000 0.259 341 E C 0.357 177.108 176.600 0.251 0.000 0.966 341 E CA 0.719 57.136 56.400 0.028 0.000 0.937 341 E CB 0.104 29.790 29.700 -0.022 0.000 0.923 341 E HN 0.185 nan 8.360 nan 0.000 0.468 342 R N 2.060 122.893 120.500 0.556 0.000 2.828 342 R HA 0.450 4.790 4.340 0.000 0.000 0.264 342 R C -0.223 176.250 176.300 0.289 0.000 1.022 342 R CA -1.040 55.259 56.100 0.332 0.000 1.021 342 R CB 1.143 31.549 30.300 0.176 0.000 1.163 342 R HN 0.466 nan 8.270 nan 0.000 0.494 343 R N 1.784 122.410 120.500 0.209 0.000 2.215 343 R HA 0.413 4.754 4.340 0.000 0.000 0.337 343 R C -0.608 175.774 176.300 0.136 0.000 1.010 343 R CA -0.230 56.014 56.100 0.241 0.000 0.871 343 R CB 0.179 30.613 30.300 0.223 0.000 1.134 343 R HN 0.521 nan 8.270 nan 0.000 0.477 344 I N 5.321 125.933 120.570 0.070 0.000 2.392 344 I HA 0.283 4.453 4.170 0.000 0.000 0.295 344 I C -0.706 175.388 176.117 -0.037 0.000 0.985 344 I CA -1.150 60.150 61.300 0.001 0.000 1.221 344 I CB 1.630 39.601 38.000 -0.048 0.000 1.366 344 I HN 0.451 nan 8.210 nan 0.000 0.467 345 L N 5.426 126.654 121.223 0.008 0.000 2.346 345 L HA 0.568 4.908 4.340 0.000 0.000 0.276 345 L C 0.325 177.237 176.870 0.070 0.000 1.006 345 L CA -0.055 54.784 54.840 -0.002 0.000 0.817 345 L CB 2.044 44.102 42.059 -0.001 0.000 1.272 345 L HN 0.724 nan 8.230 nan 0.000 0.421 346 T N -1.338 113.294 114.554 0.131 0.000 2.910 346 T HA 0.678 5.028 4.350 0.000 0.000 0.287 346 T C 0.454 175.317 174.700 0.271 0.000 1.050 346 T CA -0.224 62.015 62.100 0.231 0.000 1.011 346 T CB 1.765 70.849 68.868 0.360 0.000 1.195 346 T HN 0.575 nan 8.240 nan 0.000 0.540 347 G N -0.116 108.860 108.800 0.294 0.000 3.936 347 G HA2 0.268 4.228 3.960 0.000 0.000 0.296 347 G HA3 0.268 4.228 3.960 0.000 0.000 0.296 347 G C -0.502 174.585 174.900 0.312 0.000 1.121 347 G CA -0.396 44.959 45.100 0.425 0.000 0.899 347 G HN 0.672 nan 8.290 nan 0.000 0.542 348 Y N 0.627 121.010 120.300 0.138 0.000 2.346 348 Y HA 0.410 4.960 4.550 0.000 0.000 0.330 348 Y C 1.483 177.345 175.900 -0.063 0.000 1.178 348 Y CA 1.392 59.448 58.100 -0.074 0.000 1.331 348 Y CB 1.469 39.755 38.460 -0.291 0.000 1.253 348 Y HN 0.312 nan 8.280 nan 0.000 0.529 349 G N 2.466 111.150 108.800 -0.193 0.000 2.317 349 G HA2 -0.359 3.601 3.960 0.000 0.000 0.227 349 G HA3 -0.359 3.601 3.960 0.000 0.000 0.227 349 G C 1.331 176.348 174.900 0.195 0.000 1.042 349 G CA 0.324 45.435 45.100 0.018 0.000 0.623 349 G HN 1.307 nan 8.290 nan 0.000 0.509 350 A N 0.734 123.499 122.820 -0.093 0.000 2.009 350 A HA -0.148 4.172 4.320 0.000 0.000 0.222 350 A C 1.894 179.360 177.584 -0.197 0.000 1.175 350 A CA 2.620 54.421 52.037 -0.394 0.000 0.651 350 A CB -0.606 17.708 19.000 -1.143 0.000 0.815 350 A HN 0.598 nan 8.150 nan 0.000 0.459 351 D N -0.375 119.918 120.400 -0.179 0.000 2.183 351 D HA -0.075 4.565 4.640 0.000 0.000 0.203 351 D C 1.914 178.199 176.300 -0.025 0.000 0.969 351 D CA 1.327 55.252 54.000 -0.125 0.000 0.842 351 D CB -0.196 40.493 40.800 -0.185 0.000 0.957 351 D HN 0.607 nan 8.370 nan 0.000 0.484 352 I N 1.987 122.598 120.570 0.069 0.000 2.113 352 I HA -0.179 3.991 4.170 0.000 0.000 0.238 352 I C -0.524 175.663 176.117 0.116 0.000 1.070 352 I CA 1.093 62.488 61.300 0.159 0.000 1.332 352 I CB -1.800 36.428 38.000 0.380 0.000 1.044 352 I HN -0.018 nan 8.210 nan 0.000 0.402 353 P HA -0.043 nan 4.420 nan 0.000 0.226 353 P C 0.660 177.961 177.300 0.001 0.000 1.153 353 P CA 1.304 64.404 63.100 0.001 0.000 0.777 353 P CB 0.224 31.877 31.700 -0.078 0.000 0.794 354 L N -2.256 118.966 121.223 -0.001 0.000 2.464 354 L HA 0.519 4.859 4.340 0.000 0.000 0.264 354 L C 2.369 179.237 176.870 -0.003 0.000 1.062 354 L CA -0.528 54.308 54.840 -0.006 0.000 0.935 354 L CB -0.406 41.639 42.059 -0.024 0.000 1.603 354 L HN -0.263 nan 8.230 nan 0.000 0.528 355 G N -1.076 107.729 108.800 0.008 0.000 2.422 355 G HA2 0.089 4.049 3.960 0.000 0.000 0.218 355 G HA3 0.089 4.049 3.960 0.000 0.000 0.218 355 G C 1.102 176.016 174.900 0.023 0.000 1.146 355 G CA 1.007 46.119 45.100 0.021 0.000 0.769 355 G HN 1.010 nan 8.290 nan 0.000 0.547 356 G N 0.251 109.048 108.800 -0.004 0.000 3.434 356 G HA2 -0.393 3.567 3.960 0.000 0.000 0.343 356 G HA3 -0.393 3.567 3.960 0.000 0.000 0.343 356 G C 0.546 175.442 174.900 -0.007 0.000 1.240 356 G CA 1.104 46.182 45.100 -0.036 0.000 0.996 356 G HN 0.634 nan 8.290 nan 0.000 0.650 357 M N 1.106 120.718 119.600 0.020 0.000 2.325 357 M HA 0.500 4.980 4.480 0.000 0.000 0.305 357 M C 0.361 176.735 176.300 0.124 0.000 1.047 357 M CA -0.014 55.314 55.300 0.047 0.000 0.981 357 M CB 1.482 34.099 32.600 0.029 0.000 1.307 357 M HN 0.613 nan 8.290 nan 0.000 0.418 358 H N 1.755 120.826 119.070 0.002 0.000 2.326 358 H HA 0.181 4.738 4.556 0.000 0.000 0.272 358 H C 1.415 176.745 175.328 0.005 0.000 0.949 358 H CA 0.876 56.928 56.048 0.007 0.000 1.175 358 H CB 0.710 30.478 29.762 0.010 0.000 1.462 358 H HN 0.653 nan 8.280 nan 0.000 0.514 359 R N 0.924 121.397 120.500 -0.044 0.000 3.884 359 R HA -0.188 4.152 4.340 0.000 0.000 0.464 359 R C -1.043 175.119 176.300 -0.231 0.000 0.963 359 R CA 1.799 57.830 56.100 -0.114 0.000 1.408 359 R CB -1.867 28.390 30.300 -0.072 0.000 2.054 359 R HN 0.380 nan 8.270 nan 0.000 0.522 360 E N 0.384 120.264 120.200 -0.532 0.000 2.256 360 E HA 0.346 4.697 4.350 0.000 0.000 0.267 360 E C -0.370 176.036 176.600 -0.324 0.000 0.892 360 E CA -0.572 55.550 56.400 -0.464 0.000 0.775 360 E CB 1.582 30.965 29.700 -0.530 0.000 1.207 360 E HN 0.146 nan 8.360 nan 0.000 0.420 361 D N 1.613 121.930 120.400 -0.138 0.000 2.363 361 D HA -0.030 4.610 4.640 0.000 0.000 0.226 361 D C -0.074 176.228 176.300 0.002 0.000 1.020 361 D CA 0.307 54.279 54.000 -0.047 0.000 0.892 361 D CB -0.036 40.739 40.800 -0.042 0.000 0.900 361 D HN 0.295 nan 8.370 nan 0.000 0.531 362 R N 1.080 121.591 120.500 0.019 0.000 2.248 362 R HA 0.229 4.569 4.340 0.000 0.000 0.337 362 R C 0.982 177.393 176.300 0.184 0.000 1.085 362 R CA -0.251 55.896 56.100 0.079 0.000 0.934 362 R CB 0.597 30.934 30.300 0.062 0.000 1.034 362 R HN 0.005 nan 8.270 nan 0.000 0.465 363 L N 3.039 124.321 121.223 0.098 0.000 2.012 363 L HA -0.092 4.248 4.340 0.000 0.000 0.210 363 L C -0.639 176.254 176.870 0.038 0.000 1.073 363 L CA 1.127 56.010 54.840 0.071 0.000 0.748 363 L CB -1.687 40.387 42.059 0.025 0.000 0.891 363 L HN 0.445 nan 8.230 nan 0.000 0.431 364 P HA -0.259 nan 4.420 nan 0.000 0.215 364 P C 1.609 178.906 177.300 -0.005 0.000 1.163 364 P CA 2.181 65.289 63.100 0.013 0.000 0.894 364 P CB -0.043 31.669 31.700 0.019 0.000 0.791 365 A N -0.792 122.042 122.820 0.024 0.000 1.908 365 A HA -0.213 4.107 4.320 0.000 0.000 0.218 365 A C 2.293 179.743 177.584 -0.224 0.000 1.181 365 A CA 1.624 53.651 52.037 -0.016 0.000 0.627 365 A CB -1.729 17.366 19.000 0.158 0.000 0.818 365 A HN 0.159 nan 8.150 nan 0.000 0.445 366 L N -0.562 120.395 121.223 -0.444 0.000 1.997 366 L HA -0.284 4.056 4.340 0.000 0.000 0.216 366 L C 2.190 178.928 176.870 -0.220 0.000 1.074 366 L CA 2.357 56.853 54.840 -0.573 0.000 0.763 366 L CB -0.471 41.391 42.059 -0.329 0.000 0.890 366 L HN 0.386 nan 8.230 nan 0.000 0.434 367 D N -1.029 119.305 120.400 -0.110 0.000 2.097 367 D HA -0.167 4.473 4.640 0.000 0.000 0.195 367 D C 2.056 178.339 176.300 -0.029 0.000 0.989 367 D CA 1.859 55.829 54.000 -0.049 0.000 0.827 367 D CB -0.138 40.647 40.800 -0.024 0.000 0.966 367 D HN 0.379 nan 8.370 nan 0.000 0.456 368 T N 0.716 115.251 114.554 -0.032 0.000 2.635 368 T HA -0.138 4.212 4.350 0.000 0.000 0.267 368 T C 2.224 176.942 174.700 0.030 0.000 1.040 368 T CA 1.131 63.229 62.100 -0.003 0.000 1.156 368 T CB -0.453 68.406 68.868 -0.016 0.000 0.863 368 T HN -0.045 nan 8.240 nan 0.000 0.430 369 V N 2.122 122.033 119.914 -0.004 0.000 2.237 369 V HA -0.137 3.983 4.120 0.000 0.000 0.245 369 V C 2.472 178.626 176.094 0.100 0.000 1.046 369 V CA 1.943 64.276 62.300 0.054 0.000 1.007 369 V CB -0.851 30.966 31.823 -0.009 0.000 0.638 369 V HN 0.518 nan 8.190 nan 0.000 0.445 370 L N 0.657 121.898 121.223 0.029 0.000 2.013 370 L HA -0.204 4.136 4.340 0.000 0.000 0.212 370 L C 2.435 179.350 176.870 0.076 0.000 1.073 370 L CA 2.438 57.305 54.840 0.045 0.000 0.753 370 L CB -0.704 41.357 42.059 0.003 0.000 0.890 370 L HN 0.271 nan 8.230 nan 0.000 0.432 371 A N -0.552 122.308 122.820 0.067 0.000 1.933 371 A HA -0.313 4.007 4.320 0.000 0.000 0.218 371 A C 2.117 179.768 177.584 0.110 0.000 1.175 371 A CA 1.823 53.903 52.037 0.072 0.000 0.628 371 A CB -1.120 17.911 19.000 0.052 0.000 0.814 371 A HN 0.834 nan 8.150 nan 0.000 0.444 372 H N 0.058 119.157 119.070 0.049 0.000 2.387 372 H HA -0.098 4.458 4.556 0.000 0.000 0.299 372 H C 1.382 176.773 175.328 0.105 0.000 1.090 372 H CA 1.881 57.966 56.048 0.061 0.000 1.332 372 H CB -0.085 29.702 29.762 0.042 0.000 1.386 372 H HN 0.383 nan 8.280 nan 0.000 0.516 373 D N 0.011 120.411 120.400 0.000 0.000 2.144 373 D HA -0.117 4.523 4.640 0.000 0.000 0.200 373 D C 1.862 178.277 176.300 0.192 0.000 0.978 373 D CA 0.822 54.842 54.000 0.033 0.000 0.833 373 D CB -0.085 40.799 40.800 0.141 0.000 0.961 373 D HN 0.419 nan 8.370 nan 0.000 0.470 374 M N 0.151 119.884 119.600 0.222 0.000 2.549 374 M HA 0.012 4.492 4.480 0.000 0.000 0.260 374 M C 1.582 178.124 176.300 0.403 0.000 1.076 374 M CA 0.431 55.958 55.300 0.378 0.000 1.090 374 M CB -0.541 32.184 32.600 0.209 0.000 1.418 374 M HN -0.075 nan 8.290 nan 0.000 0.486 375 A N -0.432 122.479 122.820 0.151 0.000 2.390 375 A HA 0.177 4.497 4.320 0.000 0.000 0.232 375 A C 1.502 179.040 177.584 -0.077 0.000 1.233 375 A CA 0.682 52.740 52.037 0.034 0.000 0.907 375 A CB -0.348 18.657 19.000 0.008 0.000 0.967 375 A HN 0.469 nan 8.150 nan 0.000 0.512 376 T N -3.834 110.678 114.554 -0.070 0.000 3.209 376 T HA 0.180 4.531 4.350 0.000 0.000 0.295 376 T C 0.989 175.671 174.700 -0.030 0.000 0.977 376 T CA 0.345 62.374 62.100 -0.119 0.000 0.922 376 T CB -1.097 67.637 68.868 -0.223 0.000 1.152 376 T HN 0.445 nan 8.240 nan 0.000 0.527 377 F N 0.872 120.865 119.950 0.071 0.000 2.456 377 F HA 0.374 4.901 4.527 0.000 0.000 0.298 377 F C 0.428 176.259 175.800 0.051 0.000 1.104 377 F CA -0.571 57.480 58.000 0.085 0.000 1.435 377 F CB -0.436 38.683 39.000 0.198 0.000 1.078 377 F HN 0.006 nan 8.300 nan 0.000 0.546 378 D N 1.037 121.007 120.400 -0.717 0.000 2.358 378 D HA 0.368 5.008 4.640 0.000 0.000 0.258 378 D C 1.126 177.322 176.300 -0.174 0.000 1.223 378 D CA 1.159 54.881 54.000 -0.463 0.000 0.886 378 D CB 0.730 41.198 40.800 -0.554 0.000 1.120 378 D HN 0.553 nan 8.370 nan 0.000 0.482 379 G N 3.052 111.806 108.800 -0.076 0.000 2.284 379 G HA2 -0.251 3.709 3.960 0.000 0.000 0.201 379 G HA3 -0.251 3.709 3.960 0.000 0.000 0.201 379 G C 0.963 175.863 174.900 -0.000 0.000 0.998 379 G CA 0.089 45.167 45.100 -0.038 0.000 0.651 379 G HN 0.461 nan 8.290 nan 0.000 0.489 380 L N 1.172 122.406 121.223 0.019 0.000 2.217 380 L HA 0.303 4.644 4.340 0.000 0.000 0.211 380 L C 1.630 178.514 176.870 0.022 0.000 1.107 380 L CA 1.819 56.680 54.840 0.036 0.000 0.783 380 L CB -1.300 40.804 42.059 0.074 0.000 0.919 380 L HN 0.589 nan 8.230 nan 0.000 0.442 381 N N -0.411 118.293 118.700 0.008 0.000 2.708 381 N HA -0.291 4.449 4.740 0.000 0.000 0.251 381 N C 1.007 176.473 175.510 -0.073 0.000 1.123 381 N CA 0.669 53.708 53.050 -0.020 0.000 0.739 381 N CB -0.613 37.891 38.487 0.029 0.000 1.113 381 N HN 0.688 nan 8.380 nan 0.000 0.561 382 E N 0.296 120.436 120.200 -0.101 0.000 2.338 382 E HA -0.150 4.200 4.350 0.000 0.000 0.197 382 E C 1.006 177.326 176.600 -0.467 0.000 1.007 382 E CA 1.013 57.295 56.400 -0.196 0.000 0.849 382 E CB -0.059 29.592 29.700 -0.082 0.000 0.774 382 E HN 0.600 nan 8.360 nan 0.000 0.506 383 M N 1.516 120.858 119.600 -0.430 0.000 2.576 383 M HA 0.200 4.680 4.480 0.000 0.000 0.322 383 M C 0.370 176.572 176.300 -0.163 0.000 1.184 383 M CA -0.433 54.571 55.300 -0.492 0.000 0.967 383 M CB 1.179 33.420 32.600 -0.598 0.000 1.372 383 M HN -0.085 nan 8.290 nan 0.000 0.509 384 S N 2.377 117.986 115.700 -0.153 0.000 2.573 384 S HA 0.163 4.633 4.470 0.000 0.000 0.277 384 S C -1.234 173.277 174.600 -0.148 0.000 1.346 384 S CA -1.013 57.119 58.200 -0.114 0.000 1.034 384 S CB 0.706 63.858 63.200 -0.080 0.000 0.879 384 S HN 0.214 nan 8.310 nan 0.000 0.528 385 P HA 0.005 nan 4.420 nan 0.000 0.224 385 P C 1.509 178.662 177.300 -0.246 0.000 1.157 385 P CA 0.572 63.481 63.100 -0.318 0.000 0.799 385 P CB -0.200 31.329 31.700 -0.285 0.000 0.809 386 V N 0.877 120.692 119.914 -0.165 0.000 2.453 386 V HA -0.243 3.877 4.120 0.000 0.000 0.252 386 V C 2.724 178.746 176.094 -0.120 0.000 1.068 386 V CA 1.524 63.728 62.300 -0.160 0.000 1.070 386 V CB -1.487 30.247 31.823 -0.148 0.000 0.664 386 V HN 0.038 nan 8.190 nan 0.000 0.461 387 L N 0.903 122.077 121.223 -0.082 0.000 2.127 387 L HA -0.189 4.151 4.340 0.000 0.000 0.211 387 L C 2.516 179.416 176.870 0.051 0.000 1.089 387 L CA 1.996 56.858 54.840 0.036 0.000 0.757 387 L CB -0.542 41.570 42.059 0.089 0.000 0.899 387 L HN 0.628 nan 8.230 nan 0.000 0.434 388 S N -2.598 112.945 115.700 -0.262 0.000 2.499 388 S HA -0.070 4.400 4.470 0.000 0.000 0.225 388 S C 1.909 176.338 174.600 -0.285 0.000 1.050 388 S CA 0.433 58.317 58.200 -0.527 0.000 0.928 388 S CB -0.361 62.192 63.200 -1.080 0.000 0.803 388 S HN 0.453 nan 8.310 nan 0.000 0.506 389 T N 1.732 116.091 114.554 -0.326 0.000 3.035 389 T HA 0.061 4.411 4.350 0.000 0.000 0.268 389 T C 1.738 176.303 174.700 -0.225 0.000 1.109 389 T CA 0.911 62.755 62.100 -0.427 0.000 1.119 389 T CB -0.850 67.620 68.868 -0.663 0.000 0.900 389 T HN 0.488 nan 8.240 nan 0.000 0.503 390 L N -0.103 121.065 121.223 -0.091 0.000 2.362 390 L HA 0.470 4.810 4.340 0.000 0.000 0.219 390 L C 2.078 179.008 176.870 0.099 0.000 1.134 390 L CA 1.311 56.180 54.840 0.048 0.000 0.807 390 L CB -0.730 41.420 42.059 0.153 0.000 0.927 390 L HN 0.239 nan 8.230 nan 0.000 0.447 391 A N -0.950 121.895 122.820 0.041 0.000 2.470 391 A HA 0.611 4.931 4.320 0.000 0.000 0.251 391 A C 1.702 179.211 177.584 -0.124 0.000 1.245 391 A CA 0.281 52.351 52.037 0.056 0.000 0.932 391 A CB -0.353 18.763 19.000 0.193 0.000 1.037 391 A HN 0.829 nan 8.150 nan 0.000 0.522 392 G N -0.684 107.999 108.800 -0.194 0.000 2.176 392 G HA2 -0.226 3.734 3.960 0.000 0.000 0.253 392 G HA3 -0.226 3.734 3.960 0.000 0.000 0.253 392 G C 0.133 174.792 174.900 -0.402 0.000 0.979 392 G CA 0.364 45.296 45.100 -0.279 0.000 0.641 392 G HN 0.652 nan 8.290 nan 0.000 0.530 393 H N -1.003 117.979 119.070 -0.147 0.000 2.482 393 H HA 0.424 4.980 4.556 0.000 0.000 0.344 393 H C -0.207 175.017 175.328 -0.174 0.000 1.151 393 H CA -0.182 55.797 56.048 -0.116 0.000 1.300 393 H CB 1.181 30.853 29.762 -0.150 0.000 1.494 393 H HN 0.366 nan 8.280 nan 0.000 0.542 394 W N 3.121 124.380 121.300 -0.069 0.000 2.496 394 W HA 0.292 4.952 4.660 0.000 0.000 0.327 394 W C -0.952 175.493 176.519 -0.123 0.000 1.086 394 W CA -0.663 56.626 57.345 -0.094 0.000 1.222 394 W CB 1.584 31.113 29.460 0.115 0.000 1.304 394 W HN 0.555 nan 8.180 nan 0.000 0.547 395 T N 2.136 116.012 114.554 -1.131 0.000 2.893 395 T HA 0.531 4.881 4.350 0.000 0.000 0.291 395 T C -0.760 173.120 174.700 -1.366 0.000 1.028 395 T CA -0.635 60.878 62.100 -0.978 0.000 0.995 395 T CB 2.149 70.619 68.868 -0.664 0.000 1.051 395 T HN 0.398 nan 8.240 nan 0.000 0.470 396 T N 0.898 114.902 114.554 -0.917 0.000 2.916 396 T HA 0.458 4.808 4.350 0.000 0.000 0.305 396 T C -1.808 172.477 174.700 -0.692 0.000 1.119 396 T CA -0.756 60.884 62.100 -0.767 0.000 1.008 396 T CB 1.007 69.773 68.868 -0.169 0.000 1.129 396 T HN 0.760 nan 8.240 nan 0.000 0.480 397 H N 4.938 123.985 119.070 -0.037 0.000 2.736 397 H HA 0.276 4.832 4.556 0.000 0.000 0.271 397 H C -1.986 173.384 175.328 0.069 0.000 1.184 397 H CA -2.026 54.047 56.048 0.040 0.000 1.378 397 H CB 1.466 31.268 29.762 0.066 0.000 1.428 397 H HN 0.458 nan 8.280 nan 0.000 0.500 398 P HA -0.206 nan 4.420 nan 0.000 0.219 398 P C 0.992 178.280 177.300 -0.019 0.000 1.146 398 P CA 1.227 64.275 63.100 -0.086 0.000 0.808 398 P CB 0.208 31.769 31.700 -0.232 0.000 0.779 399 Y N -2.610 117.800 120.300 0.184 0.000 2.421 399 Y HA -0.081 4.469 4.550 0.000 0.000 0.292 399 Y C 1.517 177.556 175.900 0.232 0.000 1.136 399 Y CA 0.398 58.614 58.100 0.193 0.000 1.255 399 Y CB -0.507 38.093 38.460 0.233 0.000 0.991 399 Y HN -0.042 nan 8.280 nan 0.000 0.552 400 W N 1.287 122.698 121.300 0.185 0.000 3.086 400 W HA 0.135 4.795 4.660 0.000 0.000 0.436 400 W C 0.395 177.024 176.519 0.183 0.000 0.939 400 W CA -1.025 56.399 57.345 0.131 0.000 2.108 400 W CB -0.295 29.205 29.460 0.067 0.000 1.093 400 W HN -0.101 nan 8.180 nan 0.000 0.783 401 D N 0.300 120.818 120.400 0.197 0.000 2.339 401 D HA 0.028 4.668 4.640 0.000 0.000 0.245 401 D C 1.465 177.692 176.300 -0.122 0.000 1.115 401 D CA -0.016 54.058 54.000 0.123 0.000 0.917 401 D CB 1.245 42.058 40.800 0.022 0.000 1.192 401 D HN 0.034 nan 8.370 nan 0.000 0.428 402 R N 1.311 121.556 120.500 -0.425 0.000 2.073 402 R HA -0.141 4.199 4.340 0.000 0.000 0.234 402 R C 1.738 177.870 176.300 -0.280 0.000 1.134 402 R CA 1.310 56.932 56.100 -0.797 0.000 0.952 402 R CB 0.128 29.920 30.300 -0.846 0.000 0.850 402 R HN 0.528 nan 8.270 nan 0.000 0.433 403 E N 0.020 120.137 120.200 -0.139 0.000 2.031 403 E HA -0.144 4.206 4.350 0.000 0.000 0.193 403 E C 2.140 178.715 176.600 -0.042 0.000 0.994 403 E CA 1.217 57.584 56.400 -0.054 0.000 0.800 403 E CB -0.478 29.206 29.700 -0.027 0.000 0.752 403 E HN 0.183 nan 8.360 nan 0.000 0.447 404 V N 1.721 121.607 119.914 -0.048 0.000 2.343 404 V HA -0.232 3.888 4.120 0.000 0.000 0.247 404 V C 2.497 178.568 176.094 -0.039 0.000 1.051 404 V CA 1.438 63.724 62.300 -0.022 0.000 1.036 404 V CB -0.569 31.251 31.823 -0.005 0.000 0.654 404 V HN 0.131 nan 8.190 nan 0.000 0.451 405 L N 0.328 121.485 121.223 -0.109 0.000 2.017 405 L HA -0.170 4.171 4.340 0.000 0.000 0.208 405 L C 2.146 178.980 176.870 -0.061 0.000 1.073 405 L CA 2.050 56.773 54.840 -0.197 0.000 0.745 405 L CB -1.008 40.820 42.059 -0.385 0.000 0.894 405 L HN 0.303 nan 8.230 nan 0.000 0.432 406 D N -0.836 119.580 120.400 0.027 0.000 2.104 406 D HA -0.197 4.443 4.640 0.000 0.000 0.194 406 D C 2.170 178.488 176.300 0.030 0.000 0.994 406 D CA 1.429 55.485 54.000 0.094 0.000 0.830 406 D CB -0.216 40.659 40.800 0.125 0.000 0.959 406 D HN 0.269 nan 8.370 nan 0.000 0.452 407 L N 0.912 122.143 121.223 0.014 0.000 1.994 407 L HA -0.134 4.206 4.340 0.000 0.000 0.208 407 L C 2.289 179.164 176.870 0.009 0.000 1.071 407 L CA 1.477 56.325 54.840 0.012 0.000 0.745 407 L CB -0.852 41.214 42.059 0.012 0.000 0.892 407 L HN 0.030 nan 8.230 nan 0.000 0.431 408 L N -0.849 120.374 121.223 0.001 0.000 1.989 408 L HA -0.225 4.116 4.340 0.000 0.000 0.211 408 L C 2.672 179.538 176.870 -0.008 0.000 1.071 408 L CA 1.806 56.645 54.840 -0.001 0.000 0.749 408 L CB -1.097 40.956 42.059 -0.010 0.000 0.890 408 L HN 0.435 nan 8.230 nan 0.000 0.431 409 V N -2.215 117.685 119.914 -0.023 0.000 2.407 409 V HA -0.229 3.891 4.120 0.000 0.000 0.248 409 V C 2.701 178.790 176.094 -0.008 0.000 1.055 409 V CA 2.000 64.290 62.300 -0.018 0.000 1.049 409 V CB -0.863 30.946 31.823 -0.025 0.000 0.662 409 V HN 0.581 nan 8.190 nan 0.000 0.455 410 S N 1.194 116.892 115.700 -0.004 0.000 2.399 410 S HA -0.031 4.439 4.470 0.000 0.000 0.231 410 S C 0.957 175.561 174.600 0.007 0.000 1.022 410 S CA 0.767 58.966 58.200 -0.001 0.000 0.983 410 S CB -1.242 61.959 63.200 0.003 0.000 0.803 410 S HN 0.659 nan 8.310 nan 0.000 0.480 411 L N 2.774 124.006 121.223 0.015 0.000 2.525 411 L HA 0.131 4.472 4.340 0.000 0.000 0.278 411 L C 0.545 177.429 176.870 0.023 0.000 1.218 411 L CA -0.343 54.513 54.840 0.026 0.000 0.878 411 L CB -0.092 41.991 42.059 0.041 0.000 1.127 411 L HN 0.461 nan 8.230 nan 0.000 0.492 412 E N 2.213 122.427 120.200 0.024 0.000 2.384 412 E HA 0.200 4.550 4.350 0.000 0.000 0.266 412 E C 0.937 177.548 176.600 0.018 0.000 1.012 412 E CA 0.181 56.591 56.400 0.016 0.000 0.901 412 E CB 1.003 30.709 29.700 0.011 0.000 0.967 412 E HN 0.590 nan 8.360 nan 0.000 0.435 413 A N 4.109 126.935 122.820 0.009 0.000 1.929 413 A HA -0.288 4.032 4.320 0.000 0.000 0.221 413 A C 2.130 179.723 177.584 0.015 0.000 1.211 413 A CA 2.322 54.364 52.037 0.010 0.000 0.657 413 A CB -1.700 17.300 19.000 0.000 0.000 0.827 413 A HN 0.875 nan 8.150 nan 0.000 0.462 414 G N -1.847 106.951 108.800 -0.003 0.000 2.653 414 G HA2 0.084 4.044 3.960 0.000 0.000 0.212 414 G HA3 0.084 4.044 3.960 0.000 0.000 0.212 414 G C 1.070 175.953 174.900 -0.029 0.000 1.138 414 G CA 0.892 45.971 45.100 -0.034 0.000 0.782 414 G HN 0.389 nan 8.290 nan 0.000 0.535 415 L N -0.889 120.360 121.223 0.044 0.000 2.554 415 L HA 0.377 4.718 4.340 0.000 0.000 0.225 415 L C 2.288 179.291 176.870 0.220 0.000 1.104 415 L CA 0.936 55.863 54.840 0.145 0.000 0.866 415 L CB 0.094 42.237 42.059 0.141 0.000 1.047 415 L HN 0.111 nan 8.230 nan 0.000 0.468 416 K N -0.863 119.616 120.400 0.131 0.000 2.214 416 K HA 0.118 4.438 4.320 0.000 0.000 0.201 416 K C 0.538 177.224 176.600 0.144 0.000 1.049 416 K CA 0.053 56.419 56.287 0.132 0.000 0.978 416 K CB 0.500 33.043 32.500 0.073 0.000 0.842 416 K HN -0.163 nan 8.250 nan 0.000 0.474 417 R N 1.966 122.524 120.500 0.096 0.000 2.575 417 R HA 0.212 4.552 4.340 0.000 0.000 0.281 417 R C -1.330 174.960 176.300 -0.018 0.000 1.272 417 R CA -0.340 55.807 56.100 0.078 0.000 1.417 417 R CB 0.087 30.448 30.300 0.102 0.000 1.121 417 R HN -0.029 nan 8.270 nan 0.000 0.583 418 R N 1.625 122.092 120.500 -0.056 0.000 2.744 418 R HA 0.300 4.640 4.340 0.000 0.000 0.279 418 R C -0.647 175.416 176.300 -0.394 0.000 0.977 418 R CA -0.487 55.376 56.100 -0.396 0.000 0.906 418 R CB 0.835 30.683 30.300 -0.753 0.000 1.197 418 R HN 0.712 nan 8.270 nan 0.000 0.463 419 H N 1.918 120.838 119.070 -0.249 0.000 2.899 419 H HA -0.169 4.387 4.556 0.000 0.000 0.282 419 H C 0.832 176.126 175.328 -0.057 0.000 1.198 419 H CA 1.411 57.353 56.048 -0.178 0.000 1.140 419 H CB -1.518 28.096 29.762 -0.247 0.000 1.317 419 H HN 1.103 nan 8.280 nan 0.000 0.375 420 G N -0.172 108.642 108.800 0.023 0.000 2.155 420 G HA2 -0.359 3.601 3.960 0.000 0.000 0.257 420 G HA3 -0.359 3.601 3.960 0.000 0.000 0.257 420 G C 0.344 175.283 174.900 0.065 0.000 0.983 420 G CA 0.679 45.798 45.100 0.033 0.000 0.676 420 G HN 0.609 nan 8.290 nan 0.000 0.528 421 R N 0.529 121.099 120.500 0.117 0.000 2.664 421 R HA 0.509 4.850 4.340 0.000 0.000 0.286 421 R C -0.450 175.941 176.300 0.152 0.000 0.967 421 R CA -0.329 55.864 56.100 0.154 0.000 0.933 421 R CB 1.070 31.527 30.300 0.262 0.000 1.146 421 R HN 0.439 nan 8.270 nan 0.000 0.468 422 D N 0.531 120.998 120.400 0.111 0.000 2.313 422 D HA 0.111 4.752 4.640 0.000 0.000 0.247 422 D C -0.494 175.868 176.300 0.103 0.000 1.094 422 D CA -0.688 53.370 54.000 0.098 0.000 0.925 422 D CB 0.648 41.484 40.800 0.060 0.000 1.188 422 D HN 0.352 nan 8.370 nan 0.000 0.430 423 K N -0.103 120.353 120.400 0.092 0.000 3.012 423 K HA -0.274 4.046 4.320 0.000 0.000 0.259 423 K C 0.092 176.739 176.600 0.079 0.000 0.989 423 K CA 0.511 56.832 56.287 0.057 0.000 0.728 423 K CB -1.421 31.070 32.500 -0.014 0.000 1.260 423 K HN 0.704 nan 8.250 nan 0.000 0.480 424 W N 0.723 122.033 121.300 0.016 0.000 2.304 424 W HA -0.310 4.351 4.660 0.000 0.000 0.315 424 W C 1.978 178.521 176.519 0.040 0.000 1.233 424 W CA 2.165 59.533 57.345 0.039 0.000 1.261 424 W CB -0.521 28.968 29.460 0.048 0.000 1.150 424 W HN 0.155 nan 8.180 nan 0.000 0.494 425 V N 1.152 121.046 119.914 -0.033 0.000 2.380 425 V HA -0.298 3.822 4.120 0.000 0.000 0.251 425 V C 2.208 178.122 176.094 -0.301 0.000 1.063 425 V CA 2.347 64.501 62.300 -0.244 0.000 1.055 425 V CB -0.653 31.198 31.823 0.047 0.000 0.657 425 V HN 0.382 nan 8.190 nan 0.000 0.455 426 L N -0.579 120.539 121.223 -0.175 0.000 2.095 426 L HA -0.091 4.249 4.340 0.000 0.000 0.204 426 L C 2.868 179.635 176.870 -0.172 0.000 1.080 426 L CA 1.529 56.298 54.840 -0.119 0.000 0.759 426 L CB -0.326 41.696 42.059 -0.062 0.000 0.914 426 L HN 0.327 nan 8.230 nan 0.000 0.439 427 R N -0.044 120.318 120.500 -0.228 0.000 2.070 427 R HA -0.160 4.180 4.340 0.000 0.000 0.232 427 R C 2.312 178.427 176.300 -0.308 0.000 1.138 427 R CA 1.405 57.375 56.100 -0.217 0.000 0.936 427 R CB -0.811 29.383 30.300 -0.176 0.000 0.839 427 R HN 0.369 nan 8.270 nan 0.000 0.429 428 A N 1.867 124.330 122.820 -0.594 0.000 1.917 428 A HA -0.196 4.124 4.320 0.000 0.000 0.219 428 A C 2.508 179.897 177.584 -0.324 0.000 1.182 428 A CA 1.967 53.654 52.037 -0.583 0.000 0.633 428 A CB -0.851 17.428 19.000 -1.201 0.000 0.819 428 A HN 0.451 nan 8.150 nan 0.000 0.448 429 A N -1.224 121.419 122.820 -0.295 0.000 1.948 429 A HA -0.147 4.173 4.320 0.000 0.000 0.220 429 A C 1.913 179.438 177.584 -0.098 0.000 1.177 429 A CA 2.081 54.025 52.037 -0.154 0.000 0.636 429 A CB -0.379 18.555 19.000 -0.110 0.000 0.815 429 A HN 0.466 nan 8.150 nan 0.000 0.449 430 M N -1.183 118.356 119.600 -0.100 0.000 2.371 430 M HA 0.292 4.773 4.480 0.000 0.000 0.246 430 M C 1.863 178.118 176.300 -0.075 0.000 1.103 430 M CA 0.553 55.814 55.300 -0.065 0.000 1.010 430 M CB -0.964 31.608 32.600 -0.047 0.000 1.457 430 M HN 0.402 nan 8.290 nan 0.000 0.486 431 A N 1.641 124.405 122.820 -0.093 0.000 2.234 431 A HA -0.154 4.166 4.320 0.000 0.000 0.216 431 A C 1.415 178.971 177.584 -0.047 0.000 1.167 431 A CA 1.857 53.848 52.037 -0.076 0.000 0.698 431 A CB -0.692 18.262 19.000 -0.077 0.000 0.779 431 A HN 0.614 nan 8.150 nan 0.000 0.475 432 D N -2.524 117.857 120.400 -0.033 0.000 2.431 432 D HA 0.411 5.051 4.640 0.000 0.000 0.213 432 D C 0.830 177.142 176.300 0.021 0.000 1.130 432 D CA 0.731 54.730 54.000 -0.003 0.000 0.834 432 D CB 0.039 40.842 40.800 0.005 0.000 0.985 432 D HN 0.279 nan 8.370 nan 0.000 0.504 433 A N 0.142 122.959 122.820 -0.005 0.000 2.456 433 A HA 0.429 4.750 4.320 0.000 0.000 0.237 433 A C 0.385 177.924 177.584 -0.075 0.000 1.217 433 A CA -0.113 51.943 52.037 0.032 0.000 0.962 433 A CB 0.497 19.510 19.000 0.023 0.000 1.079 433 A HN 0.162 nan 8.150 nan 0.000 0.536 434 L N 0.755 121.845 121.223 -0.222 0.000 2.371 434 L HA 0.456 4.796 4.340 0.000 0.000 0.262 434 L C -2.555 174.030 176.870 -0.475 0.000 1.006 434 L CA -2.503 52.055 54.840 -0.470 0.000 0.818 434 L CB 2.505 44.423 42.059 -0.235 0.000 1.354 434 L HN -0.033 nan 8.230 nan 0.000 0.415 435 P HA 0.021 nan 4.420 nan 0.000 0.269 435 P C 0.224 177.444 177.300 -0.133 0.000 1.209 435 P CA -0.134 62.817 63.100 -0.249 0.000 0.776 435 P CB 1.191 32.797 31.700 -0.156 0.000 0.876 436 A N 2.826 125.604 122.820 -0.070 0.000 1.927 436 A HA -0.261 4.060 4.320 0.000 0.000 0.220 436 A C 2.226 179.787 177.584 -0.039 0.000 1.185 436 A CA 2.125 54.136 52.037 -0.044 0.000 0.639 436 A CB -1.407 17.581 19.000 -0.019 0.000 0.820 436 A HN 0.732 nan 8.150 nan 0.000 0.451 437 E N -0.874 119.304 120.200 -0.037 0.000 2.130 437 E HA -0.218 4.132 4.350 0.000 0.000 0.196 437 E C 1.875 178.454 176.600 -0.035 0.000 0.998 437 E CA 1.873 58.255 56.400 -0.029 0.000 0.806 437 E CB -0.177 29.509 29.700 -0.024 0.000 0.738 437 E HN 0.613 nan 8.360 nan 0.000 0.459 438 T N 0.867 115.387 114.554 -0.056 0.000 2.770 438 T HA -0.095 4.255 4.350 0.000 0.000 0.258 438 T C 1.971 176.640 174.700 -0.051 0.000 1.039 438 T CA 1.542 63.608 62.100 -0.056 0.000 1.143 438 T CB -0.337 68.482 68.868 -0.082 0.000 0.866 438 T HN 0.314 nan 8.240 nan 0.000 0.428 439 V N 0.730 120.606 119.914 -0.063 0.000 2.982 439 V HA -0.060 4.061 4.120 0.000 0.000 0.265 439 V C 1.106 177.181 176.094 -0.032 0.000 1.122 439 V CA 1.599 63.865 62.300 -0.057 0.000 1.143 439 V CB -1.128 30.653 31.823 -0.070 0.000 0.726 439 V HN 0.483 nan 8.190 nan 0.000 0.507 440 N N -0.160 118.529 118.700 -0.019 0.000 2.171 440 N HA 0.209 4.949 4.740 0.000 0.000 0.212 440 N C 0.631 176.142 175.510 0.001 0.000 1.184 440 N CA -0.387 52.665 53.050 0.004 0.000 0.888 440 N CB 0.382 38.875 38.487 0.010 0.000 1.038 440 N HN 0.420 nan 8.380 nan 0.000 0.517 441 R N 3.229 123.722 120.500 -0.011 0.000 2.402 441 R HA 0.100 4.440 4.340 0.000 0.000 0.331 441 R C -2.289 174.005 176.300 -0.009 0.000 1.040 441 R CA -1.102 54.991 56.100 -0.011 0.000 0.980 441 R CB 0.339 30.629 30.300 -0.017 0.000 0.967 441 R HN -0.009 nan 8.270 nan 0.000 0.440 442 P HA 0.001 nan 4.420 nan 0.000 0.269 442 P C -0.881 176.410 177.300 -0.015 0.000 1.209 442 P CA -0.079 63.019 63.100 -0.003 0.000 0.776 442 P CB 0.890 32.590 31.700 -0.000 0.000 0.876 443 K N 1.149 121.538 120.400 -0.019 0.000 2.118 443 K HA 0.386 4.706 4.320 0.000 0.000 0.240 443 K C 0.608 177.194 176.600 -0.025 0.000 1.035 443 K CA -0.533 55.735 56.287 -0.032 0.000 0.899 443 K CB 0.084 32.558 32.500 -0.044 0.000 1.085 443 K HN 0.362 nan 8.250 nan 0.000 0.498 454 S N 0.963 116.693 115.700 0.049 0.000 2.549 454 S HA 0.201 4.671 4.470 0.000 0.000 0.278 454 S C 1.586 176.244 174.600 0.095 0.000 1.344 454 S CA 0.465 58.712 58.200 0.079 0.000 1.025 454 S CB -0.046 63.219 63.200 0.110 0.000 0.851 454 S HN 0.769 nan 8.310 nan 0.000 0.530 455 S N 3.442 119.208 115.700 0.109 0.000 2.382 455 S HA -0.083 4.387 4.470 0.000 0.000 0.228 455 S C 1.507 176.227 174.600 0.201 0.000 1.027 455 S CA 0.888 59.156 58.200 0.113 0.000 0.991 455 S CB -0.518 62.730 63.200 0.080 0.000 0.823 455 S HN 0.737 nan 8.310 nan 0.000 0.469 456 F N 2.957 122.919 119.950 0.020 0.000 2.075 456 F HA -0.047 4.480 4.527 0.000 0.000 0.297 456 F C 2.516 178.330 175.800 0.023 0.000 1.113 456 F CA 0.834 58.845 58.000 0.018 0.000 1.218 456 F CB -1.251 37.753 39.000 0.006 0.000 0.984 456 F HN 0.130 nan 8.300 nan 0.000 0.472 457 S N 0.271 116.009 115.700 0.063 0.000 2.359 457 S HA -0.241 4.229 4.470 0.000 0.000 0.224 457 S C 2.044 176.655 174.600 0.018 0.000 1.035 457 S CA 1.457 59.625 58.200 -0.053 0.000 1.018 457 S CB -0.342 62.843 63.200 -0.025 0.000 0.876 457 S HN 0.242 nan 8.310 nan 0.000 0.448 458 R N 1.432 121.969 120.500 0.061 0.000 2.115 458 R HA -0.085 4.256 4.340 0.000 0.000 0.239 458 R C 2.242 178.592 176.300 0.084 0.000 1.133 458 R CA 1.409 57.545 56.100 0.060 0.000 0.935 458 R CB -1.036 29.301 30.300 0.062 0.000 0.853 458 R HN 0.320 nan 8.270 nan 0.000 0.433 459 L N 0.028 121.334 121.223 0.139 0.000 2.051 459 L HA -0.225 4.115 4.340 0.000 0.000 0.214 459 L C 1.786 178.798 176.870 0.236 0.000 1.076 459 L CA 1.936 56.892 54.840 0.193 0.000 0.758 459 L CB -0.719 41.495 42.059 0.259 0.000 0.890 459 L HN 0.314 nan 8.230 nan 0.000 0.433 460 L N -1.147 120.166 121.223 0.151 0.000 2.068 460 L HA -0.147 4.194 4.340 0.000 0.000 0.204 460 L C 2.537 179.460 176.870 0.089 0.000 1.076 460 L CA 0.914 55.815 54.840 0.103 0.000 0.753 460 L CB -1.405 40.635 42.059 -0.032 0.000 0.910 460 L HN 0.274 nan 8.230 nan 0.000 0.439 461 L N 0.095 121.343 121.223 0.043 0.000 2.353 461 L HA -0.179 4.161 4.340 0.000 0.000 0.220 461 L C 1.850 178.741 176.870 0.035 0.000 1.133 461 L CA 1.466 56.323 54.840 0.027 0.000 0.798 461 L CB -0.584 41.481 42.059 0.010 0.000 0.922 461 L HN 0.203 nan 8.230 nan 0.000 0.445 462 D N -2.528 117.900 120.400 0.047 0.000 2.216 462 D HA -0.072 4.568 4.640 0.000 0.000 0.208 462 D C 2.023 178.316 176.300 -0.011 0.000 0.960 462 D CA 0.692 54.695 54.000 0.006 0.000 0.861 462 D CB -0.023 40.768 40.800 -0.014 0.000 0.985 462 D HN 0.337 nan 8.370 nan 0.000 0.493 463 H N 0.131 119.208 119.070 0.012 0.000 2.491 463 H HA 0.109 4.665 4.556 0.000 0.000 0.290 463 H C 0.606 175.937 175.328 0.004 0.000 1.050 463 H CA 1.511 57.566 56.048 0.011 0.000 1.309 463 H CB 0.351 30.123 29.762 0.016 0.000 1.392 463 H HN 0.161 nan 8.280 nan 0.000 0.554 464 G N 0.192 109.058 108.800 0.111 0.000 2.943 464 G HA2 -0.100 3.860 3.960 0.000 0.000 0.250 464 G HA3 -0.100 3.860 3.960 0.000 0.000 0.250 464 G C -0.987 173.942 174.900 0.047 0.000 0.996 464 G CA 0.059 45.195 45.100 0.060 0.000 1.248 464 G HN 0.228 nan 8.290 nan 0.000 0.589 465 V N 0.875 120.807 119.914 0.030 0.000 2.760 465 V HA 0.865 4.986 4.120 0.000 0.000 0.309 465 V C 0.875 176.969 176.094 -0.001 0.000 1.077 465 V CA -0.600 61.705 62.300 0.009 0.000 0.910 465 V CB 1.850 33.669 31.823 -0.006 0.000 1.008 465 V HN 1.959 nan 8.190 nan 0.000 0.424 466 A N 1.852 124.669 122.820 -0.005 0.000 2.567 466 A HA 0.184 4.504 4.320 0.000 0.000 0.240 466 A C 1.281 178.859 177.584 -0.010 0.000 1.053 466 A CA 0.449 52.482 52.037 -0.006 0.000 0.755 466 A CB 0.005 19.001 19.000 -0.006 0.000 0.978 466 A HN 1.080 nan 8.150 nan 0.000 0.507 467 E N 1.605 121.800 120.200 -0.009 0.000 2.267 467 E HA -0.209 4.141 4.350 0.000 0.000 0.197 467 E C 1.253 177.847 176.600 -0.011 0.000 0.998 467 E CA 2.122 58.516 56.400 -0.011 0.000 0.830 467 E CB -0.049 29.645 29.700 -0.009 0.000 0.751 467 E HN 0.811 nan 8.360 nan 0.000 0.491 468 D N -1.121 119.274 120.400 -0.009 0.000 2.348 468 D HA -0.096 4.544 4.640 0.000 0.000 0.211 468 D C 1.415 177.712 176.300 -0.004 0.000 0.998 468 D CA 0.234 54.229 54.000 -0.007 0.000 0.873 468 D CB -0.033 40.763 40.800 -0.007 0.000 0.925 468 D HN 0.083 nan 8.370 nan 0.000 0.524 469 R N 0.584 121.079 120.500 -0.009 0.000 2.629 469 R HA 0.224 4.564 4.340 0.000 0.000 0.386 469 R C 1.172 177.456 176.300 -0.026 0.000 1.071 469 R CA -0.077 56.016 56.100 -0.012 0.000 1.104 469 R CB 0.658 30.949 30.300 -0.015 0.000 1.370 469 R HN -0.085 nan 8.270 nan 0.000 0.574 470 V N -0.507 119.392 119.914 -0.026 0.000 2.255 470 V HA -0.205 3.915 4.120 0.000 0.000 0.243 470 V C 1.937 177.975 176.094 -0.092 0.000 1.038 470 V CA 1.980 64.242 62.300 -0.064 0.000 1.008 470 V CB -0.562 31.226 31.823 -0.058 0.000 0.645 470 V HN 0.454 nan 8.190 nan 0.000 0.449 471 H N 0.488 119.478 119.070 -0.133 0.000 2.390 471 H HA -0.219 4.337 4.556 0.000 0.000 0.298 471 H C 2.197 177.452 175.328 -0.122 0.000 1.106 471 H CA 2.230 58.193 56.048 -0.141 0.000 1.297 471 H CB 0.022 29.728 29.762 -0.093 0.000 1.375 471 H HN 0.459 nan 8.280 nan 0.000 0.509 472 E N 0.078 120.236 120.200 -0.069 0.000 2.106 472 E HA -0.064 4.286 4.350 0.000 0.000 0.192 472 E C 2.226 178.743 176.600 -0.138 0.000 0.984 472 E CA 1.115 57.454 56.400 -0.102 0.000 0.806 472 E CB -0.510 29.169 29.700 -0.034 0.000 0.750 472 E HN 0.534 nan 8.360 nan 0.000 0.458 473 A N 0.755 123.493 122.820 -0.136 0.000 1.972 473 A HA -0.211 4.109 4.320 0.000 0.000 0.219 473 A C 1.958 179.443 177.584 -0.165 0.000 1.169 473 A CA 1.704 53.663 52.037 -0.129 0.000 0.635 473 A CB -0.360 18.566 19.000 -0.123 0.000 0.810 473 A HN 0.216 nan 8.150 nan 0.000 0.446 474 K N -0.699 119.525 120.400 -0.293 0.000 2.007 474 K HA -0.045 4.275 4.320 0.000 0.000 0.206 474 K C 2.274 178.794 176.600 -0.134 0.000 1.047 474 K CA 1.067 57.163 56.287 -0.318 0.000 0.937 474 K CB -0.222 31.892 32.500 -0.642 0.000 0.718 474 K HN 0.333 nan 8.250 nan 0.000 0.438 475 R N 1.395 121.751 120.500 -0.240 0.000 2.103 475 R HA -0.202 4.138 4.340 0.000 0.000 0.242 475 R C 2.439 178.696 176.300 -0.073 0.000 1.142 475 R CA 1.841 57.845 56.100 -0.159 0.000 0.960 475 R CB -0.263 29.933 30.300 -0.172 0.000 0.858 475 R HN 0.377 nan 8.270 nan 0.000 0.439 476 Q N -0.151 119.610 119.800 -0.065 0.000 2.050 476 Q HA -0.119 4.221 4.340 0.000 0.000 0.202 476 Q C 2.289 178.291 176.000 0.002 0.000 0.980 476 Q CA 1.503 57.288 55.803 -0.031 0.000 0.840 476 Q CB -0.172 28.545 28.738 -0.035 0.000 0.898 476 Q HN 0.166 nan 8.270 nan 0.000 0.424 477 V N 0.844 120.773 119.914 0.025 0.000 2.233 477 V HA -0.267 3.853 4.120 0.000 0.000 0.247 477 V C 2.358 178.498 176.094 0.076 0.000 1.050 477 V CA 1.815 64.157 62.300 0.070 0.000 1.010 477 V CB -0.606 31.319 31.823 0.170 0.000 0.637 477 V HN 0.200 nan 8.190 nan 0.000 0.444 478 V N 0.183 120.154 119.914 0.095 0.000 2.392 478 V HA -0.284 3.836 4.120 0.000 0.000 0.249 478 V C 2.557 178.697 176.094 0.078 0.000 1.059 478 V CA 2.343 64.690 62.300 0.079 0.000 1.051 478 V CB -0.957 30.904 31.823 0.063 0.000 0.658 478 V HN 0.496 nan 8.190 nan 0.000 0.455 479 R N 0.591 121.114 120.500 0.038 0.000 2.073 479 R HA -0.152 4.189 4.340 0.000 0.000 0.234 479 R C 2.281 178.646 176.300 0.108 0.000 1.134 479 R CA 1.746 57.870 56.100 0.040 0.000 0.952 479 R CB -0.673 29.623 30.300 -0.006 0.000 0.850 479 R HN 0.466 nan 8.270 nan 0.000 0.433 480 E N 0.311 120.551 120.200 0.067 0.000 2.077 480 E HA -0.147 4.203 4.350 0.000 0.000 0.193 480 E C 2.000 178.635 176.600 0.059 0.000 0.989 480 E CA 1.387 57.819 56.400 0.054 0.000 0.800 480 E CB -0.160 29.554 29.700 0.024 0.000 0.746 480 E HN 0.386 nan 8.360 nan 0.000 0.452 481 L N -0.226 121.036 121.223 0.064 0.000 2.191 481 L HA -0.154 4.186 4.340 0.000 0.000 0.212 481 L C 2.405 179.318 176.870 0.072 0.000 1.103 481 L CA 0.770 55.633 54.840 0.038 0.000 0.769 481 L CB -0.392 41.686 42.059 0.033 0.000 0.908 481 L HN 0.097 nan 8.230 nan 0.000 0.438 482 F N 1.219 121.159 119.950 -0.015 0.000 2.060 482 F HA -0.229 4.298 4.527 0.000 0.000 0.295 482 F C 2.227 178.019 175.800 -0.013 0.000 1.120 482 F CA 1.696 59.691 58.000 -0.008 0.000 1.205 482 F CB -0.105 38.887 39.000 -0.013 0.000 0.986 482 F HN 0.088 nan 8.300 nan 0.000 0.470 483 D N 0.612 121.108 120.400 0.161 0.000 2.271 483 D HA -0.185 4.455 4.640 0.000 0.000 0.207 483 D C 2.285 178.550 176.300 -0.059 0.000 0.983 483 D CA 1.245 55.270 54.000 0.041 0.000 0.878 483 D CB -0.323 40.524 40.800 0.078 0.000 0.920 483 D HN 0.363 nan 8.370 nan 0.000 0.479 484 L N 0.154 121.340 121.223 -0.062 0.000 2.145 484 L HA -0.049 4.291 4.340 0.000 0.000 0.201 484 L C 2.599 179.391 176.870 -0.129 0.000 1.075 484 L CA 1.417 56.206 54.840 -0.086 0.000 0.773 484 L CB -0.522 41.491 42.059 -0.076 0.000 0.936 484 L HN 0.126 nan 8.230 nan 0.000 0.451 485 T N -3.479 110.982 114.554 -0.155 0.000 2.866 485 T HA -0.006 4.344 4.350 0.000 0.000 0.250 485 T C 1.740 176.401 174.700 -0.066 0.000 1.033 485 T CA 0.756 62.773 62.100 -0.138 0.000 1.145 485 T CB -0.513 68.277 68.868 -0.131 0.000 0.866 485 T HN 0.005 nan 8.240 nan 0.000 0.434 486 V N 1.595 121.331 119.914 -0.296 0.000 2.407 486 V HA 0.218 4.338 4.120 0.000 0.000 0.245 486 V C 3.004 178.850 176.094 -0.413 0.000 1.041 486 V CA 1.696 63.711 62.300 -0.476 0.000 1.040 486 V CB -1.185 29.972 31.823 -1.109 0.000 0.671 486 V HN 0.673 nan 8.190 nan 0.000 0.455 487 G N -0.131 108.414 108.800 -0.424 0.000 2.441 487 G HA2 0.031 3.992 3.960 0.000 0.000 0.212 487 G HA3 0.031 3.992 3.960 0.000 0.000 0.212 487 G C 1.546 176.371 174.900 -0.124 0.000 1.164 487 G CA 0.747 45.716 45.100 -0.219 0.000 0.811 487 G HN 0.555 nan 8.290 nan 0.000 0.535 488 G N -0.373 108.358 108.800 -0.114 0.000 2.572 488 G HA2 0.334 4.295 3.960 0.000 0.000 0.216 488 G HA3 0.334 4.295 3.960 0.000 0.000 0.216 488 G C 1.392 176.255 174.900 -0.062 0.000 1.133 488 G CA 0.856 45.911 45.100 -0.075 0.000 0.791 488 G HN 1.430 nan 8.290 nan 0.000 0.538 489 G N -0.251 108.513 108.800 -0.059 0.000 2.253 489 G HA2 -0.293 3.668 3.960 0.000 0.000 0.251 489 G HA3 -0.293 3.668 3.960 0.000 0.000 0.251 489 G C 0.708 175.600 174.900 -0.014 0.000 0.998 489 G CA 0.278 45.368 45.100 -0.017 0.000 0.621 489 G HN 0.665 nan 8.290 nan 0.000 0.524 490 R N 0.666 121.128 120.500 -0.064 0.000 2.756 490 R HA 0.345 4.685 4.340 0.000 0.000 0.264 490 R C 0.455 176.638 176.300 -0.196 0.000 1.026 490 R CA -0.028 56.013 56.100 -0.099 0.000 1.121 490 R CB 0.212 30.444 30.300 -0.114 0.000 0.999 490 R HN 0.438 nan 8.270 nan 0.000 0.449 491 H N 2.568 121.429 119.070 -0.348 0.000 2.472 491 H HA 0.139 4.695 4.556 0.000 0.000 0.335 491 H C -1.798 173.094 175.328 -0.728 0.000 1.136 491 H CA -2.428 53.230 56.048 -0.650 0.000 1.264 491 H CB 1.956 31.433 29.762 -0.475 0.000 1.486 491 H HN 0.320 nan 8.280 nan 0.000 0.517 492 P HA -0.187 nan 4.420 nan 0.000 0.217 492 P C 1.257 178.277 177.300 -0.466 0.000 1.148 492 P CA 1.922 64.385 63.100 -1.062 0.000 0.828 492 P CB 0.097 30.571 31.700 -2.044 0.000 0.783 493 S N -0.855 114.753 115.700 -0.153 0.000 2.660 493 S HA -0.096 4.374 4.470 0.000 0.000 0.228 493 S C 0.811 175.410 174.600 -0.002 0.000 0.966 493 S CA 0.463 58.711 58.200 0.079 0.000 0.940 493 S CB -1.113 62.173 63.200 0.143 0.000 0.773 493 S HN 0.411 nan 8.310 nan 0.000 0.535 494 E N -0.200 119.960 120.200 -0.067 0.000 3.254 494 E HA 0.359 4.709 4.350 0.000 0.000 0.184 494 E C -0.997 175.557 176.600 -0.076 0.000 0.967 494 E CA -0.518 55.845 56.400 -0.061 0.000 1.311 494 E CB 0.742 30.404 29.700 -0.064 0.000 1.071 494 E HN 0.261 nan 8.360 nan 0.000 0.456 495 V N 1.749 121.612 119.914 -0.085 0.000 2.304 495 V HA 0.139 4.259 4.120 0.000 0.000 0.278 495 V C -0.423 175.645 176.094 -0.043 0.000 1.018 495 V CA -0.826 61.425 62.300 -0.081 0.000 0.814 495 V CB 1.144 32.892 31.823 -0.126 0.000 1.021 495 V HN 0.239 nan 8.190 nan 0.000 0.440 496 D N 3.645 124.028 120.400 -0.030 0.000 2.429 496 D HA 0.032 4.672 4.640 0.000 0.000 0.253 496 D C 1.521 177.816 176.300 -0.009 0.000 1.294 496 D CA 0.473 54.465 54.000 -0.012 0.000 1.063 496 D CB 0.737 41.531 40.800 -0.009 0.000 1.096 496 D HN 0.590 nan 8.370 nan 0.000 0.516 497 T N 1.792 116.344 114.554 -0.004 0.000 2.778 497 T HA -0.181 4.170 4.350 0.000 0.000 0.269 497 T C 1.162 175.866 174.700 0.007 0.000 1.050 497 T CA 1.126 63.226 62.100 -0.001 0.000 1.137 497 T CB 0.000 68.872 68.868 0.006 0.000 0.860 497 T HN 0.446 nan 8.240 nan 0.000 0.468 498 D N 1.056 121.470 120.400 0.023 0.000 2.117 498 D HA -0.099 4.541 4.640 0.000 0.000 0.198 498 D C 2.015 178.316 176.300 0.002 0.000 0.982 498 D CA 1.060 55.084 54.000 0.040 0.000 0.828 498 D CB -0.478 40.364 40.800 0.070 0.000 0.967 498 D HN 0.356 nan 8.370 nan 0.000 0.464 499 D N 0.857 121.257 120.400 0.000 0.000 2.182 499 D HA -0.131 4.509 4.640 0.000 0.000 0.201 499 D C 1.989 178.273 176.300 -0.027 0.000 0.986 499 D CA 0.638 54.632 54.000 -0.010 0.000 0.847 499 D CB 0.097 40.892 40.800 -0.009 0.000 0.942 499 D HN 0.011 nan 8.370 nan 0.000 0.467 500 V N -0.081 119.815 119.914 -0.029 0.000 2.231 500 V HA -0.183 3.937 4.120 0.000 0.000 0.240 500 V C 2.801 178.859 176.094 -0.060 0.000 1.039 500 V CA 1.384 63.665 62.300 -0.032 0.000 0.998 500 V CB -0.825 30.988 31.823 -0.016 0.000 0.639 500 V HN 0.091 nan 8.190 nan 0.000 0.451 501 V N 0.045 119.908 119.914 -0.085 0.000 2.282 501 V HA -0.322 3.798 4.120 0.000 0.000 0.249 501 V C 2.674 178.584 176.094 -0.308 0.000 1.057 501 V CA 2.449 64.640 62.300 -0.181 0.000 1.032 501 V CB -0.836 30.852 31.823 -0.224 0.000 0.645 501 V HN 0.446 nan 8.190 nan 0.000 0.447 502 R N -0.510 119.809 120.500 -0.301 0.000 2.091 502 R HA -0.183 4.157 4.340 0.000 0.000 0.238 502 R C 2.675 178.912 176.300 -0.104 0.000 1.136 502 R CA 1.872 57.845 56.100 -0.212 0.000 0.959 502 R CB -0.450 29.821 30.300 -0.048 0.000 0.856 502 R HN 0.544 nan 8.270 nan 0.000 0.437 503 S N -0.236 115.418 115.700 -0.075 0.000 2.344 503 S HA -0.107 4.363 4.470 0.000 0.000 0.217 503 S C 2.020 176.592 174.600 -0.047 0.000 1.033 503 S CA 1.519 59.692 58.200 -0.045 0.000 1.017 503 S CB -0.320 62.861 63.200 -0.032 0.000 0.941 503 S HN 0.180 nan 8.310 nan 0.000 0.430 504 V N 2.707 122.589 119.914 -0.053 0.000 2.363 504 V HA -0.284 3.836 4.120 0.000 0.000 0.254 504 V C 2.789 178.853 176.094 -0.051 0.000 1.074 504 V CA 2.046 64.318 62.300 -0.047 0.000 1.069 504 V CB -1.517 30.278 31.823 -0.046 0.000 0.659 504 V HN 0.636 nan 8.190 nan 0.000 0.455 505 A N 0.152 122.929 122.820 -0.071 0.000 1.883 505 A HA -0.279 4.041 4.320 0.000 0.000 0.217 505 A C 1.961 179.530 177.584 -0.025 0.000 1.186 505 A CA 2.173 54.179 52.037 -0.051 0.000 0.624 505 A CB -0.730 18.231 19.000 -0.064 0.000 0.822 505 A HN 0.561 nan 8.150 nan 0.000 0.444 506 D N -0.515 119.871 120.400 -0.022 0.000 2.182 506 D HA -0.117 4.523 4.640 0.000 0.000 0.201 506 D C 1.846 178.140 176.300 -0.011 0.000 0.986 506 D CA 0.953 54.947 54.000 -0.010 0.000 0.847 506 D CB -0.353 40.442 40.800 -0.008 0.000 0.942 506 D HN 0.433 nan 8.370 nan 0.000 0.467 507 R N -0.135 120.355 120.500 -0.017 0.000 2.323 507 R HA 0.108 4.448 4.340 0.000 0.000 0.198 507 R C 0.329 176.619 176.300 -0.015 0.000 0.988 507 R CA 0.394 56.485 56.100 -0.015 0.000 1.041 507 R CB 0.230 30.519 30.300 -0.017 0.000 0.926 507 R HN 0.079 nan 8.270 nan 0.000 0.476 508 T N 0.000 114.545 114.554 -0.016 0.000 3.816 508 T HA 0.000 4.350 4.350 0.000 0.000 0.228 508 T CA 0.000 62.091 62.100 -0.015 0.000 1.349 508 T CB 0.000 68.856 68.868 -0.021 0.000 0.612 508 T HN 0.000 nan 8.240 nan 0.000 0.658