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 2v3q_1_A DATA FIRST_RESID 1 DATA SEQUENCE DINGGGATLP QKLYLTPDVL TAGFAPYIGV GSGKGKIAFL ENKYNQFGTD DATA SEQUENCE TTKNVHWAGS DSKLTATELA TYAADKEPGW GKLIQVPSVA TSVAIPFRKA DATA SEQUENCE GANAVDLSVK ELcGVFSGRI ADWSGITGAG RSGPIQVVYR AESSGTTELF DATA SEQUENCE TRFLNAKcTT EPGTFAVTTT FANSYSLGLT PLAGAVAATG SDGVMAALND DATA SEQUENCE TTVAEGRITY ISPDFAAPTL AGLDDATKVA RVGKGVVNGV AVEGKSPAAA DATA SEQUENCE NVSAAISVVP LPAAADRGNP DVWVPVFGAT TGGGVVAYPD SGYPILGFTN DATA SEQUENCE LIFSQcYANA TQTGQVRDFF TKHYGTSANN DAAIEANAFV PLPSNWKAAV DATA SEQUENCE RASFLTASNA LSIGNTNVcN GKGRPQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 D HA 0.000 nan 4.640 nan 0.000 0.175 1 D C 0.000 176.234 176.300 -0.111 0.000 2.045 1 D CA 0.000 53.973 54.000 -0.045 0.000 0.868 1 D CB 0.000 40.811 40.800 0.019 0.000 0.688 2 I N 1.670 122.099 120.570 -0.235 0.000 2.352 2 I HA 0.198 4.368 4.170 -0.000 0.000 0.290 2 I C -0.078 176.084 176.117 0.075 0.000 1.036 2 I CA -0.288 60.799 61.300 -0.354 0.000 1.336 2 I CB 0.405 37.880 38.000 -0.875 0.000 1.407 2 I HN -0.005 nan 8.210 nan 0.000 0.497 3 N N 5.363 124.354 118.700 0.485 0.000 2.407 3 N HA 0.603 5.343 4.740 -0.000 0.000 0.277 3 N C -0.289 175.280 175.510 0.097 0.000 0.995 3 N CA -0.278 52.962 53.050 0.316 0.000 0.903 3 N CB 2.384 41.108 38.487 0.394 0.000 1.218 3 N HN 0.780 nan 8.380 nan 0.000 0.487 4 G N -0.641 107.961 108.800 -0.331 0.000 2.733 4 G HA2 0.839 4.799 3.960 -0.000 0.000 0.288 4 G HA3 0.839 4.799 3.960 -0.000 0.000 0.288 4 G C -0.692 173.329 174.900 -1.464 0.000 1.373 4 G CA -0.666 43.659 45.100 -1.292 0.000 0.895 4 G HN 0.659 nan 8.290 nan 0.000 0.479 5 G N -2.458 105.307 108.800 -1.725 0.000 2.320 5 G HA2 0.800 4.760 3.960 -0.000 0.000 0.296 5 G HA3 0.800 4.760 3.960 -0.000 0.000 0.296 5 G C -0.010 174.221 174.900 -1.114 0.000 1.306 5 G CA 0.977 44.772 45.100 -2.174 0.000 0.836 5 G HN 2.362 nan 8.290 nan 0.000 0.517 6 G N -0.998 107.367 108.800 -0.724 0.000 2.204 6 G HA2 0.498 4.458 3.960 -0.000 0.000 0.153 6 G HA3 0.498 4.458 3.960 -0.000 0.000 0.153 6 G C 0.670 175.596 174.900 0.044 0.000 1.295 6 G CA 1.069 46.114 45.100 -0.091 0.000 1.257 6 G HN 2.436 nan 8.290 nan 0.000 0.495 7 A N 0.326 123.261 122.820 0.192 0.000 2.608 7 A HA 0.430 4.750 4.320 -0.000 0.000 0.239 7 A C 1.818 179.557 177.584 0.258 0.000 1.018 7 A CA 2.299 54.461 52.037 0.209 0.000 0.766 7 A CB -0.182 18.958 19.000 0.233 0.000 0.928 7 A HN 2.301 nan 8.150 nan 0.000 0.512 8 T N 1.259 115.895 114.554 0.137 0.000 3.054 8 T HA -0.056 4.294 4.350 -0.000 0.000 0.259 8 T C 1.694 176.470 174.700 0.126 0.000 1.092 8 T CA 0.867 63.039 62.100 0.121 0.000 1.121 8 T CB -0.451 68.385 68.868 -0.053 0.000 0.912 8 T HN 0.617 nan 8.240 nan 0.000 0.489 9 L N 2.367 123.642 121.223 0.087 0.000 2.043 9 L HA 0.043 4.383 4.340 -0.000 0.000 0.212 9 L C -0.903 176.154 176.870 0.311 0.000 1.075 9 L CA 1.522 56.454 54.840 0.154 0.000 0.752 9 L CB -0.649 41.475 42.059 0.108 0.000 0.891 9 L HN 0.229 nan 8.230 nan 0.000 0.432 10 P HA 0.016 nan 4.420 nan 0.000 0.269 10 P C 0.732 177.856 177.300 -0.294 0.000 1.478 10 P CA -0.019 62.977 63.100 -0.174 0.000 1.045 10 P CB 0.248 31.580 31.700 -0.613 0.000 1.512 11 Q N 1.033 120.873 119.800 0.065 0.000 2.124 11 Q HA -0.141 4.199 4.340 -0.000 0.000 0.202 11 Q C 1.608 177.627 176.000 0.031 0.000 0.977 11 Q CA 1.340 57.211 55.803 0.114 0.000 0.850 11 Q CB -0.628 28.351 28.738 0.401 0.000 0.901 11 Q HN 0.125 nan 8.270 nan 0.000 0.429 12 K N 0.287 120.696 120.400 0.015 0.000 2.147 12 K HA -0.125 4.195 4.320 -0.000 0.000 0.205 12 K C 2.074 178.618 176.600 -0.095 0.000 1.049 12 K CA 1.191 57.423 56.287 -0.093 0.000 0.936 12 K CB -0.191 32.147 32.500 -0.270 0.000 0.722 12 K HN 0.172 nan 8.250 nan 0.000 0.446 13 L N 0.344 121.492 121.223 -0.125 0.000 1.994 13 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 13 L C 1.896 178.679 176.870 -0.146 0.000 1.071 13 L CA 1.818 56.570 54.840 -0.147 0.000 0.745 13 L CB -0.630 41.294 42.059 -0.225 0.000 0.892 13 L HN 0.108 nan 8.230 nan 0.000 0.431 14 Y N -0.549 119.680 120.300 -0.118 0.000 2.421 14 Y HA -0.051 4.498 4.550 -0.000 0.000 0.292 14 Y C 2.349 178.225 175.900 -0.041 0.000 1.136 14 Y CA 0.612 58.611 58.100 -0.169 0.000 1.255 14 Y CB -0.775 37.384 38.460 -0.503 0.000 0.991 14 Y HN 0.176 nan 8.280 nan 0.000 0.552 15 L N -0.781 120.505 121.223 0.105 0.000 2.492 15 L HA 0.004 4.344 4.340 -0.000 0.000 0.223 15 L C 0.538 177.443 176.870 0.058 0.000 1.132 15 L CA 0.236 55.140 54.840 0.106 0.000 0.850 15 L CB -0.377 41.735 42.059 0.089 0.000 0.966 15 L HN -0.023 nan 8.230 nan 0.000 0.454 16 T N 1.726 116.300 114.554 0.033 0.000 2.853 16 T HA 0.121 4.471 4.350 -0.000 0.000 0.298 16 T C -2.207 172.511 174.700 0.030 0.000 0.978 16 T CA -0.888 61.221 62.100 0.015 0.000 1.152 16 T CB 0.660 69.527 68.868 -0.002 0.000 0.914 16 T HN -0.102 nan 8.240 nan 0.000 0.539 17 P HA 0.028 nan 4.420 nan 0.000 0.262 17 P C 0.336 177.650 177.300 0.023 0.000 1.182 17 P CA 0.538 63.654 63.100 0.026 0.000 0.761 17 P CB 0.252 31.962 31.700 0.016 0.000 0.795 18 D N 0.454 120.870 120.400 0.026 0.000 2.946 18 D HA -0.147 4.493 4.640 -0.000 0.000 0.202 18 D C 1.115 177.428 176.300 0.021 0.000 1.068 18 D CA 0.619 54.631 54.000 0.019 0.000 1.011 18 D CB -1.341 39.468 40.800 0.015 0.000 1.105 18 D HN 0.141 nan 8.370 nan 0.000 0.425 19 V N 0.373 120.309 119.914 0.036 0.000 2.323 19 V HA -0.081 4.039 4.120 -0.000 0.000 0.244 19 V C 1.569 177.696 176.094 0.055 0.000 1.041 19 V CA 1.149 63.491 62.300 0.070 0.000 1.025 19 V CB -0.053 31.833 31.823 0.106 0.000 0.656 19 V HN 0.198 nan 8.190 nan 0.000 0.451 20 L N 1.089 122.267 121.223 -0.074 0.000 2.349 20 L HA 0.309 4.649 4.340 -0.000 0.000 0.275 20 L C 0.773 177.501 176.870 -0.237 0.000 1.115 20 L CA -0.130 54.464 54.840 -0.410 0.000 0.820 20 L CB 0.948 42.759 42.059 -0.413 0.000 1.135 20 L HN 0.340 nan 8.230 nan 0.000 0.445 21 T N -0.222 114.133 114.554 -0.331 0.000 2.902 21 T HA 0.635 4.985 4.350 -0.000 0.000 0.287 21 T C 0.300 175.055 174.700 0.092 0.000 1.048 21 T CA -0.707 61.366 62.100 -0.046 0.000 0.941 21 T CB 0.955 69.838 68.868 0.025 0.000 1.432 21 T HN 0.626 nan 8.240 nan 0.000 0.586 22 A N -0.775 122.124 122.820 0.132 0.000 2.498 22 A HA 0.530 4.850 4.320 -0.000 0.000 0.239 22 A C 1.595 179.315 177.584 0.226 0.000 1.068 22 A CA 0.280 52.405 52.037 0.147 0.000 0.766 22 A CB -1.275 17.782 19.000 0.095 0.000 1.003 22 A HN 2.206 nan 8.150 nan 0.000 0.497 23 G N 0.254 109.153 108.800 0.165 0.000 2.234 23 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.235 23 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.235 23 G C -0.002 174.946 174.900 0.080 0.000 0.997 23 G CA 0.221 45.376 45.100 0.091 0.000 0.623 23 G HN 0.684 nan 8.290 nan 0.000 0.514 24 F N 2.562 122.519 119.950 0.011 0.000 2.424 24 F HA 0.711 5.238 4.527 -0.000 0.000 0.356 24 F C 1.038 176.891 175.800 0.088 0.000 1.110 24 F CA -0.233 57.799 58.000 0.053 0.000 1.161 24 F CB 1.303 40.301 39.000 -0.004 0.000 1.115 24 F HN 0.379 nan 8.300 nan 0.000 0.507 25 A N 5.631 128.579 122.820 0.213 0.000 2.406 25 A HA 0.458 4.778 4.320 -0.000 0.000 0.243 25 A C -2.270 175.445 177.584 0.217 0.000 1.082 25 A CA -1.298 50.846 52.037 0.178 0.000 0.786 25 A CB -0.510 18.573 19.000 0.138 0.000 1.029 25 A HN 0.514 nan 8.150 nan 0.000 0.495 26 P HA 0.055 nan 4.420 nan 0.000 0.266 26 P C -0.700 176.684 177.300 0.141 0.000 1.195 26 P CA 0.407 63.603 63.100 0.160 0.000 0.768 26 P CB 0.086 31.849 31.700 0.105 0.000 0.838 27 Y N 3.569 123.897 120.300 0.047 0.000 2.411 27 Y HA 0.276 4.826 4.550 0.000 0.000 0.333 27 Y C 0.032 175.826 175.900 -0.177 0.000 1.186 27 Y CA 0.064 58.121 58.100 -0.072 0.000 1.381 27 Y CB 0.243 38.757 38.460 0.089 0.000 1.273 27 Y HN 0.214 nan 8.280 nan 0.000 0.546 28 I N 6.079 126.080 120.570 -0.950 0.000 2.354 28 I HA 0.301 4.471 4.170 -0.000 0.000 0.286 28 I C 0.427 176.039 176.117 -0.841 0.000 1.007 28 I CA -0.656 60.210 61.300 -0.722 0.000 1.167 28 I CB 1.134 38.669 38.000 -0.776 0.000 1.320 28 I HN 0.855 nan 8.210 nan 0.000 0.458 29 G N 4.954 113.541 108.800 -0.356 0.000 2.349 29 G HA2 0.433 4.393 3.960 -0.000 0.000 0.281 29 G HA3 0.433 4.393 3.960 -0.000 0.000 0.281 29 G C 0.580 175.401 174.900 -0.132 0.000 1.182 29 G CA -0.226 44.777 45.100 -0.161 0.000 0.899 29 G HN 0.615 nan 8.290 nan 0.000 0.455 30 V N -0.210 119.633 119.914 -0.119 0.000 3.432 30 V HA 0.710 4.830 4.120 -0.000 0.000 0.290 30 V C 0.673 176.769 176.094 0.003 0.000 1.591 30 V CA 0.234 62.507 62.300 -0.046 0.000 1.069 30 V CB -0.247 31.573 31.823 -0.006 0.000 0.892 30 V HN 1.964 nan 8.190 nan 0.000 0.436 31 G N 0.470 109.281 108.800 0.018 0.000 2.674 31 G HA2 0.004 3.964 3.960 -0.000 0.000 0.686 31 G HA3 0.004 3.964 3.960 -0.000 0.000 0.686 31 G C 0.077 175.022 174.900 0.075 0.000 1.195 31 G CA -0.086 45.042 45.100 0.047 0.000 0.776 31 G HN 0.353 nan 8.290 nan 0.000 0.654 32 S N 0.459 116.217 115.700 0.096 0.000 2.402 32 S HA -0.017 4.453 4.470 -0.000 0.000 0.229 32 S C 2.672 177.332 174.600 0.099 0.000 1.021 32 S CA 2.287 60.553 58.200 0.111 0.000 0.974 32 S CB -0.355 62.920 63.200 0.125 0.000 0.800 32 S HN 1.633 nan 8.310 nan 0.000 0.484 33 G N 2.002 110.858 108.800 0.092 0.000 2.433 33 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.216 33 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.216 33 G C 1.399 176.338 174.900 0.065 0.000 1.186 33 G CA 0.716 45.865 45.100 0.081 0.000 0.779 33 G HN 0.425 nan 8.290 nan 0.000 0.543 34 K N 0.197 120.633 120.400 0.059 0.000 2.057 34 K HA -0.053 4.267 4.320 -0.000 0.000 0.207 34 K C 2.758 179.391 176.600 0.055 0.000 1.049 34 K CA 0.953 57.264 56.287 0.040 0.000 0.931 34 K CB -0.427 32.104 32.500 0.052 0.000 0.714 34 K HN 0.284 nan 8.250 nan 0.000 0.440 35 G N 1.815 110.688 108.800 0.122 0.000 2.422 35 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.218 35 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.218 35 G C 1.338 176.302 174.900 0.108 0.000 1.146 35 G CA 0.663 45.868 45.100 0.176 0.000 0.769 35 G HN 0.220 nan 8.290 nan 0.000 0.547 36 K N -0.159 120.296 120.400 0.092 0.000 2.057 36 K HA 0.083 4.403 4.320 -0.000 0.000 0.206 36 K C 2.454 179.114 176.600 0.100 0.000 1.050 36 K CA 0.769 57.118 56.287 0.103 0.000 0.935 36 K CB -0.215 32.341 32.500 0.092 0.000 0.715 36 K HN 0.312 nan 8.250 nan 0.000 0.439 37 I N 1.295 121.892 120.570 0.045 0.000 2.179 37 I HA -0.302 3.868 4.170 -0.000 0.000 0.242 37 I C 2.558 178.642 176.117 -0.055 0.000 1.088 37 I CA 1.202 62.507 61.300 0.009 0.000 1.357 37 I CB -0.409 37.579 38.000 -0.019 0.000 1.051 37 I HN 0.142 nan 8.210 nan 0.000 0.409 38 A N 0.590 123.308 122.820 -0.171 0.000 1.883 38 A HA -0.279 4.041 4.320 -0.000 0.000 0.217 38 A C 2.269 179.728 177.584 -0.209 0.000 1.186 38 A CA 1.794 53.585 52.037 -0.409 0.000 0.624 38 A CB -1.066 17.316 19.000 -1.029 0.000 0.822 38 A HN 0.455 nan 8.150 nan 0.000 0.444 39 F N 0.228 120.076 119.950 -0.170 0.000 2.084 39 F HA -0.067 4.460 4.527 -0.000 0.000 0.296 39 F C 1.959 177.798 175.800 0.064 0.000 1.111 39 F CA 1.756 59.719 58.000 -0.062 0.000 1.224 39 F CB -0.211 38.760 39.000 -0.049 0.000 0.991 39 F HN 0.123 nan 8.300 nan 0.000 0.471 40 L N -0.188 121.171 121.223 0.227 0.000 2.141 40 L HA -0.143 4.197 4.340 -0.000 0.000 0.209 40 L C 1.710 178.726 176.870 0.242 0.000 1.094 40 L CA 1.493 56.502 54.840 0.282 0.000 0.763 40 L CB -0.476 41.739 42.059 0.260 0.000 0.908 40 L HN 0.179 nan 8.230 nan 0.000 0.437 41 E N -0.880 119.384 120.200 0.107 0.000 2.481 41 E HA -0.013 4.337 4.350 -0.000 0.000 0.198 41 E C -0.131 176.508 176.600 0.065 0.000 1.027 41 E CA -0.208 56.235 56.400 0.073 0.000 0.900 41 E CB 0.199 29.915 29.700 0.026 0.000 0.993 41 E HN 0.267 nan 8.360 nan 0.000 0.482 42 N N 2.411 121.122 118.700 0.019 0.000 2.688 42 N HA -0.202 4.538 4.740 -0.000 0.000 0.258 42 N C -1.260 174.201 175.510 -0.082 0.000 1.016 42 N CA 0.695 53.705 53.050 -0.067 0.000 0.747 42 N CB -0.856 37.658 38.487 0.044 0.000 0.895 42 N HN 0.095 nan 8.380 nan 0.000 0.543 43 K N 1.840 122.146 120.400 -0.157 0.000 2.484 43 K HA 0.092 4.412 4.320 -0.000 0.000 0.226 43 K C 0.221 176.654 176.600 -0.278 0.000 1.031 43 K CA -0.613 55.581 56.287 -0.155 0.000 1.026 43 K CB 0.275 32.699 32.500 -0.128 0.000 1.412 43 K HN 0.325 nan 8.250 nan 0.000 0.492 44 Y N 2.665 122.783 120.300 -0.304 0.000 2.569 44 Y HA -0.234 4.316 4.550 -0.000 0.000 0.293 44 Y C 1.910 177.677 175.900 -0.222 0.000 1.144 44 Y CA 1.630 59.532 58.100 -0.329 0.000 1.321 44 Y CB 0.065 38.430 38.460 -0.157 0.000 0.982 44 Y HN 0.569 nan 8.280 nan 0.000 0.558 45 N N -0.544 118.117 118.700 -0.065 0.000 2.453 45 N HA -0.183 4.557 4.740 -0.000 0.000 0.183 45 N C 1.045 176.483 175.510 -0.121 0.000 1.041 45 N CA 1.182 54.208 53.050 -0.041 0.000 0.900 45 N CB -0.547 37.931 38.487 -0.014 0.000 0.961 45 N HN 0.390 nan 8.380 nan 0.000 0.443 46 Q N -0.755 118.899 119.800 -0.244 0.000 2.364 46 Q HA 0.033 4.373 4.340 -0.000 0.000 0.207 46 Q C 0.666 176.616 176.000 -0.085 0.000 0.970 46 Q CA 0.665 56.349 55.803 -0.198 0.000 0.888 46 Q CB -0.231 28.344 28.738 -0.273 0.000 0.951 46 Q HN 0.428 nan 8.270 nan 0.000 0.469 47 F N -0.938 118.767 119.950 -0.408 0.000 2.602 47 F HA 0.424 4.951 4.527 -0.000 0.000 0.284 47 F C 1.321 176.875 175.800 -0.409 0.000 1.111 47 F CA 0.378 58.054 58.000 -0.540 0.000 1.405 47 F CB 0.145 38.536 39.000 -1.016 0.000 1.121 47 F HN -0.047 nan 8.300 nan 0.000 0.603 48 G N -1.053 107.670 108.800 -0.128 0.000 2.495 48 G HA2 0.331 4.291 3.960 -0.000 0.000 0.294 48 G HA3 0.331 4.291 3.960 -0.000 0.000 0.294 48 G C 0.232 175.229 174.900 0.162 0.000 1.397 48 G CA 0.075 45.219 45.100 0.073 0.000 0.790 48 G HN -0.053 nan 8.290 nan 0.000 0.486 49 T N -2.643 111.998 114.554 0.145 0.000 3.088 49 T HA 0.083 4.433 4.350 -0.000 0.000 0.259 49 T C 0.666 175.437 174.700 0.119 0.000 1.122 49 T CA 1.205 63.371 62.100 0.109 0.000 1.095 49 T CB 0.129 69.036 68.868 0.064 0.000 0.930 49 T HN 0.331 nan 8.240 nan 0.000 0.508 50 D N 3.378 123.874 120.400 0.161 0.000 2.508 50 D HA 0.094 4.734 4.640 -0.000 0.000 0.224 50 D C 1.244 177.519 176.300 -0.041 0.000 1.171 50 D CA 0.012 54.033 54.000 0.035 0.000 1.006 50 D CB 0.379 41.161 40.800 -0.029 0.000 1.073 50 D HN 0.454 nan 8.370 nan 0.000 0.513 51 T N -1.292 113.270 114.554 0.014 0.000 3.194 51 T HA -0.099 4.251 4.350 -0.000 0.000 0.251 51 T C 1.696 176.349 174.700 -0.079 0.000 1.132 51 T CA 0.628 62.729 62.100 0.002 0.000 1.028 51 T CB -0.349 68.539 68.868 0.034 0.000 0.976 51 T HN 0.289 nan 8.240 nan 0.000 0.535 52 T N -0.878 113.607 114.554 -0.116 0.000 3.035 52 T HA 0.095 4.445 4.350 -0.000 0.000 0.268 52 T C 0.768 175.357 174.700 -0.185 0.000 1.109 52 T CA 0.237 62.266 62.100 -0.118 0.000 1.119 52 T CB -0.366 68.448 68.868 -0.091 0.000 0.900 52 T HN 0.395 nan 8.240 nan 0.000 0.503 53 K N 2.024 122.209 120.400 -0.357 0.000 2.237 53 K HA 0.291 4.611 4.320 -0.000 0.000 0.270 53 K C -0.226 176.176 176.600 -0.331 0.000 1.015 53 K CA -0.549 55.448 56.287 -0.483 0.000 0.949 53 K CB 0.429 32.265 32.500 -1.107 0.000 0.976 53 K HN 0.229 nan 8.250 nan 0.000 0.472 54 N N 0.852 119.408 118.700 -0.240 0.000 2.466 54 N HA 0.219 4.959 4.740 -0.000 0.000 0.294 54 N C -0.775 174.488 175.510 -0.412 0.000 1.129 54 N CA -0.494 52.380 53.050 -0.293 0.000 0.931 54 N CB 1.661 39.954 38.487 -0.322 0.000 1.193 54 N HN 0.113 nan 8.380 nan 0.000 0.500 55 V N 2.480 122.175 119.914 -0.364 0.000 2.465 55 V HA 0.142 4.262 4.120 -0.000 0.000 0.279 55 V C 0.872 176.713 176.094 -0.421 0.000 1.045 55 V CA -0.150 61.985 62.300 -0.275 0.000 0.938 55 V CB 0.821 32.509 31.823 -0.224 0.000 0.986 55 V HN 0.677 nan 8.190 nan 0.000 0.467 56 H N 3.732 122.913 119.070 0.184 0.000 2.855 56 H HA 0.168 4.724 4.556 0.000 0.000 0.259 56 H C 0.091 175.733 175.328 0.523 0.000 0.972 56 H CA 0.378 56.636 56.048 0.351 0.000 1.213 56 H CB 1.067 30.992 29.762 0.272 0.000 1.451 56 H HN 0.776 nan 8.280 nan 0.000 0.484 57 W N -0.032 121.367 121.300 0.165 0.000 3.059 57 W HA 0.693 5.354 4.660 0.001 0.000 0.329 57 W C -1.929 174.548 176.519 -0.070 0.000 1.246 57 W CA -1.401 55.792 57.345 -0.254 0.000 1.190 57 W CB 1.010 29.675 29.460 -1.326 0.000 1.423 57 W HN -0.060 nan 8.180 nan 0.000 0.571 58 A N 0.735 123.482 122.820 -0.121 0.000 2.498 58 A HA 0.837 5.157 4.320 -0.000 0.000 0.298 58 A C -0.569 177.048 177.584 0.055 0.000 1.075 58 A CA -0.234 51.697 52.037 -0.176 0.000 0.714 58 A CB 1.394 20.410 19.000 0.026 0.000 1.299 58 A HN 1.277 nan 8.150 nan 0.000 0.407 59 G N -0.121 108.728 108.800 0.082 0.000 2.367 59 G HA2 0.550 4.510 3.960 -0.000 0.000 0.314 59 G HA3 0.550 4.510 3.960 -0.000 0.000 0.314 59 G C -0.443 174.601 174.900 0.241 0.000 1.130 59 G CA 0.061 45.360 45.100 0.331 0.000 0.864 59 G HN 1.215 nan 8.290 nan 0.000 0.486 60 S N 0.139 115.973 115.700 0.225 0.000 2.566 60 S HA 0.371 4.841 4.470 -0.000 0.000 0.273 60 S C -0.715 173.990 174.600 0.175 0.000 1.157 60 S CA -0.712 57.592 58.200 0.173 0.000 0.938 60 S CB 1.325 64.603 63.200 0.129 0.000 1.087 60 S HN 0.631 nan 8.310 nan 0.000 0.474 61 D N 1.843 122.340 120.400 0.162 0.000 2.463 61 D HA 0.249 4.889 4.640 -0.000 0.000 0.224 61 D C 0.076 176.475 176.300 0.164 0.000 1.174 61 D CA -0.226 53.872 54.000 0.163 0.000 0.829 61 D CB 0.755 41.643 40.800 0.146 0.000 0.993 61 D HN 0.243 nan 8.370 nan 0.000 0.497 62 S N 0.346 116.136 115.700 0.150 0.000 2.437 62 S HA 0.271 4.741 4.470 -0.000 0.000 0.305 62 S C -0.086 174.592 174.600 0.130 0.000 1.109 62 S CA -0.914 57.371 58.200 0.142 0.000 1.099 62 S CB 0.824 64.102 63.200 0.130 0.000 1.004 62 S HN 0.010 nan 8.310 nan 0.000 0.475 63 K N 3.403 123.881 120.400 0.130 0.000 2.355 63 K HA 0.227 4.547 4.320 -0.000 0.000 0.270 63 K C -0.215 176.446 176.600 0.102 0.000 1.003 63 K CA -0.201 56.157 56.287 0.118 0.000 0.957 63 K CB 0.328 32.898 32.500 0.117 0.000 0.939 63 K HN 0.635 nan 8.250 nan 0.000 0.482 64 L N 2.717 123.994 121.223 0.091 0.000 2.525 64 L HA -0.025 4.315 4.340 -0.000 0.000 0.278 64 L C 1.033 177.956 176.870 0.087 0.000 1.218 64 L CA 0.131 55.021 54.840 0.083 0.000 0.878 64 L CB 0.155 42.255 42.059 0.069 0.000 1.127 64 L HN 0.767 nan 8.230 nan 0.000 0.492 65 T N -0.199 114.406 114.554 0.085 0.000 2.874 65 T HA 0.435 4.785 4.350 -0.000 0.000 0.281 65 T C 1.173 175.921 174.700 0.080 0.000 0.994 65 T CA -0.308 61.840 62.100 0.080 0.000 1.015 65 T CB 1.648 70.561 68.868 0.074 0.000 1.028 65 T HN 0.621 nan 8.240 nan 0.000 0.523 66 A N 1.441 124.304 122.820 0.072 0.000 1.917 66 A HA -0.066 4.254 4.320 -0.000 0.000 0.219 66 A C 2.435 180.063 177.584 0.073 0.000 1.182 66 A CA 2.305 54.384 52.037 0.070 0.000 0.633 66 A CB -1.800 17.235 19.000 0.058 0.000 0.819 66 A HN 0.929 nan 8.150 nan 0.000 0.448 67 T N -0.329 114.265 114.554 0.067 0.000 2.777 67 T HA -0.114 4.236 4.350 -0.000 0.000 0.266 67 T C 1.778 176.528 174.700 0.084 0.000 1.040 67 T CA 1.574 63.714 62.100 0.067 0.000 1.141 67 T CB -0.235 68.668 68.868 0.057 0.000 0.868 67 T HN 0.662 nan 8.240 nan 0.000 0.444 68 E N 0.694 120.949 120.200 0.092 0.000 2.077 68 E HA -0.067 4.283 4.350 -0.000 0.000 0.193 68 E C 2.193 178.882 176.600 0.149 0.000 0.989 68 E CA 0.902 57.372 56.400 0.115 0.000 0.800 68 E CB -0.264 29.499 29.700 0.106 0.000 0.746 68 E HN 0.398 nan 8.360 nan 0.000 0.452 69 L N 0.295 121.597 121.223 0.132 0.000 2.056 69 L HA -0.158 4.182 4.340 -0.000 0.000 0.207 69 L C 2.544 179.515 176.870 0.168 0.000 1.078 69 L CA 0.975 55.908 54.840 0.155 0.000 0.749 69 L CB -0.399 41.735 42.059 0.126 0.000 0.901 69 L HN 0.154 nan 8.230 nan 0.000 0.433 70 A N -0.563 122.330 122.820 0.122 0.000 1.898 70 A HA -0.173 4.147 4.320 -0.000 0.000 0.216 70 A C 2.357 179.996 177.584 0.093 0.000 1.181 70 A CA 2.180 54.276 52.037 0.097 0.000 0.620 70 A CB -0.844 18.198 19.000 0.069 0.000 0.819 70 A HN 0.362 nan 8.150 nan 0.000 0.442 71 T N -1.689 112.926 114.554 0.101 0.000 2.746 71 T HA -0.156 4.194 4.350 -0.000 0.000 0.267 71 T C 1.804 176.560 174.700 0.093 0.000 1.039 71 T CA 1.709 63.856 62.100 0.077 0.000 1.142 71 T CB -0.389 68.526 68.868 0.078 0.000 0.866 71 T HN 0.555 nan 8.240 nan 0.000 0.444 72 Y N 1.796 122.121 120.300 0.042 0.000 2.200 72 Y HA 0.082 4.632 4.550 -0.000 0.000 0.290 72 Y C 2.516 178.434 175.900 0.029 0.000 1.137 72 Y CA 0.714 58.843 58.100 0.048 0.000 1.163 72 Y CB -0.656 37.883 38.460 0.132 0.000 0.988 72 Y HN 0.177 nan 8.280 nan 0.000 0.518 73 A N 0.409 123.348 122.820 0.199 0.000 1.883 73 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 73 A C 2.409 179.980 177.584 -0.021 0.000 1.186 73 A CA 2.248 54.347 52.037 0.102 0.000 0.624 73 A CB -1.510 17.562 19.000 0.120 0.000 0.822 73 A HN 0.572 nan 8.150 nan 0.000 0.444 74 A N -0.714 122.088 122.820 -0.029 0.000 1.898 74 A HA -0.098 4.222 4.320 -0.000 0.000 0.216 74 A C 1.777 179.276 177.584 -0.141 0.000 1.181 74 A CA 1.923 53.921 52.037 -0.065 0.000 0.620 74 A CB -0.373 18.603 19.000 -0.040 0.000 0.819 74 A HN 0.451 nan 8.150 nan 0.000 0.442 75 D N -1.372 118.908 120.400 -0.199 0.000 2.323 75 D HA 0.050 4.690 4.640 -0.000 0.000 0.218 75 D C 1.801 177.817 176.300 -0.474 0.000 0.973 75 D CA 0.828 54.660 54.000 -0.280 0.000 0.890 75 D CB 0.097 40.751 40.800 -0.244 0.000 1.011 75 D HN 0.207 nan 8.370 nan 0.000 0.499 76 K N 0.268 120.278 120.400 -0.651 0.000 2.344 76 K HA 0.094 4.414 4.320 -0.000 0.000 0.200 76 K C 1.827 178.003 176.600 -0.706 0.000 1.132 76 K CA 0.112 55.794 56.287 -1.008 0.000 0.935 76 K CB -0.001 31.568 32.500 -1.553 0.000 1.089 76 K HN 0.110 nan 8.250 nan 0.000 0.496 77 E N 1.874 121.772 120.200 -0.503 0.000 2.097 77 E HA -0.164 4.186 4.350 -0.000 0.000 0.196 77 E C -1.050 175.496 176.600 -0.089 0.000 1.000 77 E CA 1.469 57.783 56.400 -0.143 0.000 0.804 77 E CB -0.566 29.136 29.700 0.003 0.000 0.740 77 E HN 0.042 nan 8.360 nan 0.000 0.454 78 P HA -0.113 nan 4.420 nan 0.000 0.215 78 P C 1.182 178.435 177.300 -0.079 0.000 1.153 78 P CA 2.003 65.048 63.100 -0.092 0.000 0.853 78 P CB -0.231 31.401 31.700 -0.112 0.000 0.788 79 G N -2.664 106.041 108.800 -0.159 0.000 2.492 79 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.214 79 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.214 79 G C 0.720 175.715 174.900 0.159 0.000 1.147 79 G CA 0.200 45.254 45.100 -0.076 0.000 0.809 79 G HN 0.193 nan 8.290 nan 0.000 0.533 80 W N 0.383 121.622 121.300 -0.101 0.000 2.998 80 W HA 0.486 5.146 4.660 -0.000 0.000 0.336 80 W C 1.134 177.627 176.519 -0.044 0.000 1.112 80 W CA -0.274 57.016 57.345 -0.091 0.000 1.682 80 W CB -0.108 29.271 29.460 -0.135 0.000 1.065 80 W HN 0.416 nan 8.180 nan 0.000 0.570 81 G N 1.311 110.227 108.800 0.194 0.000 2.712 81 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.683 81 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.683 81 G C -0.349 174.697 174.900 0.244 0.000 1.320 81 G CA -1.059 44.139 45.100 0.163 0.000 0.847 81 G HN -0.054 nan 8.290 nan 0.000 0.553 82 K N -0.087 120.443 120.400 0.216 0.000 2.382 82 K HA 0.381 4.701 4.320 -0.000 0.000 0.275 82 K C 1.051 177.841 176.600 0.316 0.000 1.009 82 K CA -0.239 56.206 56.287 0.264 0.000 0.970 82 K CB 0.480 33.100 32.500 0.200 0.000 0.934 82 K HN 0.767 nan 8.250 nan 0.000 0.479 83 L N 1.261 122.700 121.223 0.360 0.000 2.453 83 L HA 0.428 4.768 4.340 -0.000 0.000 0.261 83 L C -0.385 176.518 176.870 0.055 0.000 1.179 83 L CA 0.221 55.179 54.840 0.196 0.000 0.813 83 L CB 0.224 42.258 42.059 -0.043 0.000 1.110 83 L HN 0.438 nan 8.230 nan 0.000 0.466 84 I N 1.902 122.437 120.570 -0.059 0.000 2.436 84 I HA 0.424 4.594 4.170 -0.000 0.000 0.289 84 I C -0.456 175.528 176.117 -0.222 0.000 1.010 84 I CA -0.338 60.793 61.300 -0.281 0.000 1.098 84 I CB 1.691 39.399 38.000 -0.487 0.000 1.266 84 I HN 0.740 nan 8.210 nan 0.000 0.434 85 Q N 7.024 126.698 119.800 -0.210 0.000 2.327 85 Q HA 0.657 4.997 4.340 -0.000 0.000 0.270 85 Q C -1.684 174.274 176.000 -0.070 0.000 1.022 85 Q CA -0.675 55.081 55.803 -0.079 0.000 0.773 85 Q CB 2.176 30.928 28.738 0.022 0.000 1.251 85 Q HN 0.601 nan 8.270 nan 0.000 0.457 86 V N 1.386 121.290 119.914 -0.017 0.000 2.841 86 V HA 0.685 4.805 4.120 -0.000 0.000 0.310 86 V C -2.735 173.455 176.094 0.160 0.000 1.090 86 V CA -2.617 59.698 62.300 0.026 0.000 0.930 86 V CB 1.395 33.093 31.823 -0.209 0.000 1.014 86 V HN 0.670 nan 8.190 nan 0.000 0.425 87 P HA 0.111 nan 4.420 nan 0.000 0.271 87 P C 0.519 178.005 177.300 0.311 0.000 1.228 87 P CA 0.614 63.805 63.100 0.151 0.000 0.797 87 P CB 0.737 32.357 31.700 -0.134 0.000 0.914 88 S N -0.089 115.799 115.700 0.313 0.000 2.979 88 S HA 0.273 4.743 4.470 -0.000 0.000 0.243 88 S C 0.290 175.021 174.600 0.218 0.000 1.036 88 S CA 0.728 59.156 58.200 0.380 0.000 0.846 88 S CB -0.188 63.273 63.200 0.434 0.000 0.806 88 S HN 0.346 nan 8.310 nan 0.000 0.568 89 V N -1.011 118.991 119.914 0.147 0.000 3.202 89 V HA 0.984 5.104 4.120 -0.000 0.000 0.306 89 V C -0.771 175.356 176.094 0.054 0.000 1.283 89 V CA -0.699 61.628 62.300 0.044 0.000 1.065 89 V CB 1.019 32.785 31.823 -0.094 0.000 1.079 89 V HN 0.490 nan 8.190 nan 0.000 0.448 90 A N 0.327 123.120 122.820 -0.045 0.000 2.299 90 A HA 0.975 5.295 4.320 -0.000 0.000 0.332 90 A C -0.104 177.411 177.584 -0.115 0.000 1.131 90 A CA -0.160 51.715 52.037 -0.270 0.000 0.844 90 A CB 1.782 20.457 19.000 -0.542 0.000 1.251 90 A HN 1.818 nan 8.150 nan 0.000 0.486 91 T N -0.582 113.904 114.554 -0.112 0.000 2.889 91 T HA 0.572 4.922 4.350 -0.000 0.000 0.315 91 T C -0.033 174.678 174.700 0.018 0.000 1.291 91 T CA 0.147 62.295 62.100 0.080 0.000 1.028 91 T CB 1.018 69.972 68.868 0.144 0.000 1.235 91 T HN 1.491 nan 8.240 nan 0.000 0.491 92 S N 1.473 117.193 115.700 0.034 0.000 2.655 92 S HA 0.722 5.192 4.470 -0.000 0.000 0.265 92 S C -0.330 174.305 174.600 0.060 0.000 1.240 92 S CA -0.640 57.572 58.200 0.021 0.000 0.986 92 S CB 0.957 64.064 63.200 -0.155 0.000 0.985 92 S HN 0.607 nan 8.310 nan 0.000 0.562 93 V N 1.348 121.329 119.914 0.111 0.000 2.378 93 V HA 0.674 4.794 4.120 -0.000 0.000 0.288 93 V C 0.464 176.591 176.094 0.054 0.000 1.016 93 V CA -0.598 61.743 62.300 0.069 0.000 0.840 93 V CB 0.601 32.466 31.823 0.070 0.000 0.994 93 V HN 1.156 nan 8.190 nan 0.000 0.431 94 A N 6.182 128.984 122.820 -0.031 0.000 2.302 94 A HA 0.800 5.119 4.320 -0.000 0.000 0.285 94 A C -0.269 177.311 177.584 -0.007 0.000 1.105 94 A CA -0.370 51.638 52.037 -0.049 0.000 0.816 94 A CB 0.441 19.383 19.000 -0.097 0.000 1.067 94 A HN 0.638 nan 8.150 nan 0.000 0.489 95 I N 3.000 123.617 120.570 0.079 0.000 2.750 95 I HA 0.254 4.424 4.170 -0.000 0.000 0.279 95 I C -2.476 173.788 176.117 0.246 0.000 1.206 95 I CA -2.121 59.276 61.300 0.160 0.000 1.101 95 I CB 0.298 38.449 38.000 0.250 0.000 1.431 95 I HN 0.393 nan 8.210 nan 0.000 0.551 96 P HA 0.561 nan 4.420 nan 0.000 0.278 96 P C -0.957 176.465 177.300 0.203 0.000 1.258 96 P CA -0.103 63.033 63.100 0.061 0.000 0.811 96 P CB 1.546 33.212 31.700 -0.057 0.000 1.063 97 F N -2.453 117.552 119.950 0.091 0.000 2.686 97 F HA 0.633 5.160 4.527 -0.000 0.000 0.311 97 F C -0.828 174.997 175.800 0.041 0.000 1.128 97 F CA -1.459 56.625 58.000 0.140 0.000 0.946 97 F CB 1.692 40.898 39.000 0.344 0.000 1.336 97 F HN 0.160 nan 8.300 nan 0.000 0.457 98 R N 2.504 123.125 120.500 0.202 0.000 2.335 98 R HA 0.575 4.915 4.340 -0.000 0.000 0.302 98 R C -1.645 174.686 176.300 0.053 0.000 1.147 98 R CA -0.595 55.523 56.100 0.029 0.000 1.111 98 R CB 0.666 30.976 30.300 0.017 0.000 1.122 98 R HN 0.722 nan 8.270 nan 0.000 0.557 99 K N 2.761 123.166 120.400 0.008 0.000 2.690 99 K HA 0.365 4.685 4.320 -0.000 0.000 0.264 99 K C -1.392 175.106 176.600 -0.169 0.000 1.040 99 K CA -0.292 55.842 56.287 -0.255 0.000 0.946 99 K CB 1.692 33.595 32.500 -0.995 0.000 1.268 99 K HN 0.524 nan 8.250 nan 0.000 0.473 100 A N 2.122 124.853 122.820 -0.147 0.000 2.425 100 A HA 0.695 5.015 4.320 -0.000 0.000 0.242 100 A C 0.364 177.888 177.584 -0.101 0.000 1.077 100 A CA 0.794 52.773 52.037 -0.096 0.000 0.781 100 A CB 0.087 19.041 19.000 -0.077 0.000 1.020 100 A HN 1.080 nan 8.150 nan 0.000 0.494 101 G N -1.667 107.100 108.800 -0.056 0.000 2.386 101 G HA2 0.578 4.538 3.960 -0.000 0.000 0.302 101 G HA3 0.578 4.538 3.960 -0.000 0.000 0.302 101 G C 0.142 175.033 174.900 -0.015 0.000 1.629 101 G CA -0.010 45.063 45.100 -0.044 0.000 0.917 101 G HN 1.561 nan 8.290 nan 0.000 0.676 102 A N 0.754 123.567 122.820 -0.012 0.000 2.016 102 A HA 0.218 4.538 4.320 -0.000 0.000 0.217 102 A C 1.183 178.774 177.584 0.012 0.000 1.162 102 A CA 1.053 53.089 52.037 -0.002 0.000 0.662 102 A CB -0.319 18.677 19.000 -0.005 0.000 0.812 102 A HN 0.604 nan 8.150 nan 0.000 0.450 103 N N 0.230 118.938 118.700 0.014 0.000 2.503 103 N HA 0.463 5.203 4.740 -0.000 0.000 0.267 103 N C -0.098 175.442 175.510 0.050 0.000 1.214 103 N CA 0.519 53.585 53.050 0.025 0.000 0.959 103 N CB 0.619 39.119 38.487 0.021 0.000 1.142 103 N HN 0.304 nan 8.380 nan 0.000 0.455 104 A N 0.782 123.637 122.820 0.057 0.000 2.450 104 A HA 0.260 4.580 4.320 -0.000 0.000 0.255 104 A C -0.039 177.600 177.584 0.092 0.000 1.096 104 A CA -0.446 51.643 52.037 0.086 0.000 0.778 104 A CB 0.069 19.110 19.000 0.069 0.000 1.031 104 A HN 0.431 nan 8.150 nan 0.000 0.494 105 V N 3.561 123.558 119.914 0.139 0.000 2.432 105 V HA 0.240 4.360 4.120 -0.000 0.000 0.271 105 V C -0.204 175.958 176.094 0.113 0.000 1.046 105 V CA 0.034 62.384 62.300 0.083 0.000 0.945 105 V CB 1.103 32.879 31.823 -0.080 0.000 0.992 105 V HN 0.897 nan 8.190 nan 0.000 0.471 106 D N 5.140 125.589 120.400 0.081 0.000 2.389 106 D HA 0.326 4.966 4.640 -0.000 0.000 0.256 106 D C -0.445 175.892 176.300 0.063 0.000 1.239 106 D CA -0.366 53.683 54.000 0.082 0.000 0.925 106 D CB 0.952 41.793 40.800 0.068 0.000 1.145 106 D HN 0.366 nan 8.370 nan 0.000 0.542 107 L N 2.532 123.797 121.223 0.070 0.000 2.360 107 L HA 0.227 4.567 4.340 -0.000 0.000 0.276 107 L C 1.211 178.105 176.870 0.040 0.000 1.121 107 L CA -0.409 54.462 54.840 0.051 0.000 0.845 107 L CB 0.846 42.949 42.059 0.072 0.000 1.143 107 L HN 0.381 nan 8.230 nan 0.000 0.452 108 S N 2.063 117.782 115.700 0.031 0.000 2.593 108 S HA 0.157 4.627 4.470 -0.000 0.000 0.269 108 S C 1.172 175.795 174.600 0.038 0.000 1.334 108 S CA -0.995 57.221 58.200 0.028 0.000 1.015 108 S CB 1.581 64.795 63.200 0.022 0.000 0.912 108 S HN 0.336 nan 8.310 nan 0.000 0.541 109 V N 1.483 121.422 119.914 0.041 0.000 2.407 109 V HA -0.144 3.976 4.120 -0.000 0.000 0.248 109 V C 2.703 178.829 176.094 0.053 0.000 1.055 109 V CA 2.314 64.657 62.300 0.072 0.000 1.049 109 V CB -1.051 30.822 31.823 0.082 0.000 0.662 109 V HN 0.991 nan 8.190 nan 0.000 0.455 110 K N 0.943 121.361 120.400 0.030 0.000 2.044 110 K HA -0.235 4.085 4.320 -0.000 0.000 0.210 110 K C 1.975 178.597 176.600 0.036 0.000 1.049 110 K CA 2.005 58.309 56.287 0.028 0.000 0.927 110 K CB -0.405 32.106 32.500 0.018 0.000 0.713 110 K HN 0.580 nan 8.250 nan 0.000 0.443 111 E N -0.022 120.195 120.200 0.029 0.000 2.077 111 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 111 E C 2.073 178.696 176.600 0.039 0.000 0.989 111 E CA 1.240 57.647 56.400 0.012 0.000 0.800 111 E CB -0.211 29.486 29.700 -0.004 0.000 0.746 111 E HN 0.311 nan 8.360 nan 0.000 0.452 112 L N 0.626 121.903 121.223 0.090 0.000 2.012 112 L HA -0.258 4.082 4.340 -0.000 0.000 0.210 112 L C 2.319 179.332 176.870 0.240 0.000 1.073 112 L CA 1.423 56.380 54.840 0.196 0.000 0.748 112 L CB -0.220 41.953 42.059 0.190 0.000 0.891 112 L HN 0.285 nan 8.230 nan 0.000 0.431 113 c N 0.092 118.774 118.600 0.137 0.000 2.413 113 c HA -0.149 4.421 4.570 -0.000 0.000 0.276 113 c C 2.787 176.984 174.090 0.178 0.000 1.236 113 c CA 0.907 57.318 56.329 0.138 0.000 1.735 113 c CB -1.935 40.640 42.510 0.107 0.000 2.031 113 c HN 0.796 nan 8.230 nan 0.000 0.474 114 G N -0.117 108.738 108.800 0.093 0.000 2.422 114 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.218 114 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.218 114 G C 1.657 176.540 174.900 -0.029 0.000 1.140 114 G CA 1.137 46.255 45.100 0.030 0.000 0.775 114 G HN 0.411 nan 8.290 nan 0.000 0.545 115 V N 0.131 120.009 119.914 -0.059 0.000 2.295 115 V HA -0.081 4.039 4.120 -0.000 0.000 0.246 115 V C 2.350 178.277 176.094 -0.278 0.000 1.049 115 V CA 1.453 63.600 62.300 -0.255 0.000 1.024 115 V CB -0.533 31.061 31.823 -0.383 0.000 0.648 115 V HN 0.358 nan 8.190 nan 0.000 0.447 116 F N 0.507 120.495 119.950 0.064 0.000 2.710 116 F HA -0.012 4.515 4.527 0.000 0.000 0.298 116 F C 2.444 178.402 175.800 0.265 0.000 1.137 116 F CA 0.943 59.056 58.000 0.189 0.000 1.444 116 F CB -0.262 38.848 39.000 0.182 0.000 1.111 116 F HN 0.247 nan 8.300 nan 0.000 0.580 117 S N -1.157 114.670 115.700 0.212 0.000 2.503 117 S HA 0.332 4.802 4.470 -0.000 0.000 0.217 117 S C 1.899 176.292 174.600 -0.345 0.000 0.999 117 S CA 0.540 58.523 58.200 -0.362 0.000 0.914 117 S CB 0.172 63.119 63.200 -0.422 0.000 0.782 117 S HN 0.475 nan 8.310 nan 0.000 0.520 118 G N 2.036 110.752 108.800 -0.139 0.000 2.195 118 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.246 118 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.246 118 G C 0.898 175.750 174.900 -0.080 0.000 0.984 118 G CA 0.431 45.468 45.100 -0.105 0.000 0.633 118 G HN 0.580 nan 8.290 nan 0.000 0.525 119 R N 0.311 120.770 120.500 -0.069 0.000 2.105 119 R HA 0.114 4.454 4.340 -0.000 0.000 0.239 119 R C 0.902 177.171 176.300 -0.053 0.000 1.135 119 R CA 1.306 57.385 56.100 -0.036 0.000 0.967 119 R CB -0.188 30.108 30.300 -0.007 0.000 0.861 119 R HN 0.465 nan 8.270 nan 0.000 0.442 120 I N 0.927 121.447 120.570 -0.084 0.000 2.306 120 I HA 0.169 4.339 4.170 -0.000 0.000 0.288 120 I C 0.486 176.505 176.117 -0.163 0.000 1.036 120 I CA -0.317 60.914 61.300 -0.115 0.000 1.221 120 I CB 1.816 39.732 38.000 -0.138 0.000 1.385 120 I HN 0.195 nan 8.210 nan 0.000 0.472 121 A N 4.513 127.257 122.820 -0.128 0.000 2.252 121 A HA 0.125 4.445 4.320 -0.000 0.000 0.213 121 A C 0.535 178.036 177.584 -0.139 0.000 1.188 121 A CA 0.249 52.210 52.037 -0.126 0.000 0.863 121 A CB 0.133 19.092 19.000 -0.067 0.000 0.893 121 A HN 0.658 nan 8.150 nan 0.000 0.495 122 D N -2.364 117.954 120.400 -0.138 0.000 2.619 122 D HA 0.248 4.888 4.640 -0.000 0.000 0.241 122 D C -0.160 176.070 176.300 -0.117 0.000 1.087 122 D CA -0.681 53.274 54.000 -0.077 0.000 0.851 122 D CB 1.037 41.835 40.800 -0.003 0.000 1.474 122 D HN 0.249 nan 8.370 nan 0.000 0.478 123 W N 1.471 122.739 121.300 -0.053 0.000 2.387 123 W HA -0.189 4.471 4.660 -0.000 0.000 0.272 123 W C 2.561 179.045 176.519 -0.059 0.000 1.224 123 W CA 1.084 58.385 57.345 -0.073 0.000 1.210 123 W CB -0.109 29.306 29.460 -0.076 0.000 1.125 123 W HN 0.452 nan 8.180 nan 0.000 0.572 124 S N -0.948 114.838 115.700 0.144 0.000 2.469 124 S HA -0.060 4.410 4.470 -0.000 0.000 0.238 124 S C 1.923 176.545 174.600 0.036 0.000 0.998 124 S CA 1.050 59.300 58.200 0.083 0.000 0.957 124 S CB -0.913 62.321 63.200 0.057 0.000 0.764 124 S HN 0.269 nan 8.310 nan 0.000 0.514 125 G N 0.933 109.731 108.800 -0.002 0.000 2.848 125 G HA2 0.208 4.168 3.960 -0.000 0.000 0.208 125 G HA3 0.208 4.168 3.960 -0.000 0.000 0.208 125 G C 0.336 175.218 174.900 -0.030 0.000 1.152 125 G CA -0.090 44.992 45.100 -0.030 0.000 0.789 125 G HN 0.468 nan 8.290 nan 0.000 0.531 126 I N 2.797 123.361 120.570 -0.010 0.000 2.307 126 I HA 0.170 4.340 4.170 -0.000 0.000 0.289 126 I C 0.808 176.943 176.117 0.030 0.000 1.021 126 I CA -0.988 60.313 61.300 0.001 0.000 1.224 126 I CB 0.128 38.136 38.000 0.014 0.000 1.376 126 I HN -0.013 nan 8.210 nan 0.000 0.470 127 T N 1.739 116.305 114.554 0.020 0.000 2.928 127 T HA 0.365 4.715 4.350 -0.000 0.000 0.305 127 T C 1.267 175.986 174.700 0.031 0.000 1.035 127 T CA 0.305 62.420 62.100 0.025 0.000 1.145 127 T CB 1.128 70.008 68.868 0.019 0.000 0.963 127 T HN 1.094 nan 8.240 nan 0.000 0.545 128 G N 2.174 110.992 108.800 0.031 0.000 2.205 128 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.261 128 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.261 128 G C 1.016 175.937 174.900 0.035 0.000 0.980 128 G CA 0.292 45.410 45.100 0.031 0.000 0.632 128 G HN 1.592 nan 8.290 nan 0.000 0.533 129 A N 0.374 123.221 122.820 0.045 0.000 2.169 129 A HA 0.530 4.850 4.320 -0.000 0.000 0.212 129 A C 2.560 180.158 177.584 0.023 0.000 1.153 129 A CA 1.721 53.784 52.037 0.044 0.000 0.756 129 A CB -0.609 18.444 19.000 0.088 0.000 0.813 129 A HN 2.418 nan 8.150 nan 0.000 0.471 130 G N -0.411 108.405 108.800 0.027 0.000 2.305 130 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.287 130 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.287 130 G C 0.125 175.024 174.900 -0.002 0.000 1.036 130 G CA 0.763 45.871 45.100 0.013 0.000 0.887 130 G HN 0.692 nan 8.290 nan 0.000 0.505 131 R N -0.720 119.792 120.500 0.021 0.000 2.744 131 R HA 0.759 5.099 4.340 -0.000 0.000 0.279 131 R C -0.240 176.119 176.300 0.098 0.000 0.977 131 R CA -0.046 56.050 56.100 -0.006 0.000 0.906 131 R CB 2.274 32.505 30.300 -0.115 0.000 1.197 131 R HN 0.638 nan 8.270 nan 0.000 0.463 132 S N 0.309 116.060 115.700 0.083 0.000 2.556 132 S HA 0.891 5.361 4.470 -0.000 0.000 0.271 132 S C -0.521 174.165 174.600 0.144 0.000 1.135 132 S CA -0.084 58.195 58.200 0.132 0.000 0.858 132 S CB 2.277 65.520 63.200 0.071 0.000 1.114 132 S HN 1.083 nan 8.310 nan 0.000 0.468 133 G N 1.448 110.353 108.800 0.174 0.000 2.459 133 G HA2 0.180 4.140 3.960 -0.000 0.000 0.685 133 G HA3 0.180 4.140 3.960 -0.000 0.000 0.685 133 G C -3.563 171.495 174.900 0.263 0.000 1.303 133 G CA -0.544 44.660 45.100 0.173 0.000 0.907 133 G HN 0.747 nan 8.290 nan 0.000 0.632 134 P HA 0.394 nan 4.420 nan 0.000 0.268 134 P C 0.027 177.433 177.300 0.178 0.000 1.205 134 P CA 0.146 63.318 63.100 0.120 0.000 0.771 134 P CB 0.643 32.394 31.700 0.083 0.000 0.858 135 I N 2.396 122.950 120.570 -0.025 0.000 2.437 135 I HA 0.310 4.480 4.170 -0.000 0.000 0.298 135 I C 0.679 176.768 176.117 -0.048 0.000 0.984 135 I CA -0.456 60.763 61.300 -0.135 0.000 1.214 135 I CB 1.376 39.054 38.000 -0.536 0.000 1.365 135 I HN 0.299 nan 8.210 nan 0.000 0.469 136 Q N 5.178 124.992 119.800 0.023 0.000 2.290 136 Q HA 0.434 4.774 4.340 -0.000 0.000 0.269 136 Q C -1.715 174.295 176.000 0.017 0.000 1.016 136 Q CA -0.611 55.210 55.803 0.030 0.000 0.754 136 Q CB 2.253 31.035 28.738 0.073 0.000 1.247 136 Q HN 0.482 nan 8.270 nan 0.000 0.451 137 V N 4.325 124.242 119.914 0.006 0.000 2.530 137 V HA 0.254 4.374 4.120 -0.000 0.000 0.282 137 V C -0.075 176.107 176.094 0.146 0.000 1.048 137 V CA -0.325 61.985 62.300 0.016 0.000 0.997 137 V CB 1.461 33.296 31.823 0.019 0.000 0.987 137 V HN 0.595 nan 8.190 nan 0.000 0.477 138 V N 6.825 126.803 119.914 0.107 0.000 2.472 138 V HA 0.568 4.688 4.120 -0.000 0.000 0.290 138 V C -0.507 175.623 176.094 0.059 0.000 1.037 138 V CA -0.429 61.896 62.300 0.042 0.000 0.908 138 V CB 1.216 33.009 31.823 -0.051 0.000 0.985 138 V HN 0.881 nan 8.190 nan 0.000 0.454 139 Y N 2.493 122.762 120.300 -0.052 0.000 2.644 139 Y HA 0.747 5.297 4.550 -0.000 0.000 0.338 139 Y C -0.350 175.528 175.900 -0.037 0.000 1.119 139 Y CA -1.676 56.369 58.100 -0.092 0.000 1.060 139 Y CB 1.146 39.629 38.460 0.038 0.000 1.294 139 Y HN 0.307 nan 8.280 nan 0.000 0.472 140 R N 1.176 121.762 120.500 0.142 0.000 2.347 140 R HA 0.383 4.723 4.340 -0.000 0.000 0.304 140 R C 0.638 177.073 176.300 0.225 0.000 1.072 140 R CA 0.515 56.663 56.100 0.079 0.000 0.980 140 R CB 1.343 31.723 30.300 0.134 0.000 0.986 140 R HN 1.063 nan 8.270 nan 0.000 0.448 141 A N 3.328 126.176 122.820 0.047 0.000 1.929 141 A HA -0.106 4.214 4.320 -0.000 0.000 0.216 141 A C 0.929 178.622 177.584 0.181 0.000 1.176 141 A CA 1.088 53.199 52.037 0.122 0.000 0.628 141 A CB -0.109 18.897 19.000 0.011 0.000 0.816 141 A HN 0.744 nan 8.150 nan 0.000 0.444 142 E N 0.227 120.506 120.200 0.131 0.000 2.254 142 E HA 0.356 4.706 4.350 -0.000 0.000 0.258 142 E C -0.897 175.790 176.600 0.146 0.000 1.033 142 E CA -0.652 55.819 56.400 0.117 0.000 0.893 142 E CB 0.520 30.261 29.700 0.069 0.000 1.204 142 E HN -0.007 nan 8.360 nan 0.000 0.425 143 S N 0.702 116.477 115.700 0.124 0.000 2.555 143 S HA 0.144 4.614 4.470 -0.000 0.000 0.293 143 S C -0.090 174.589 174.600 0.131 0.000 1.248 143 S CA 0.094 58.372 58.200 0.130 0.000 1.096 143 S CB -0.272 62.991 63.200 0.104 0.000 0.881 143 S HN 0.493 nan 8.310 nan 0.000 0.498 144 S N 2.676 118.474 115.700 0.162 0.000 2.614 144 S HA 0.582 5.052 4.470 -0.000 0.000 0.288 144 S C 1.125 175.832 174.600 0.178 0.000 1.137 144 S CA -0.416 57.880 58.200 0.159 0.000 0.992 144 S CB 1.325 64.639 63.200 0.190 0.000 1.026 144 S HN 0.674 nan 8.310 nan 0.000 0.486 145 G N 2.622 111.515 108.800 0.155 0.000 2.422 145 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.218 145 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.218 145 G C 1.133 176.147 174.900 0.190 0.000 1.140 145 G CA 1.392 46.591 45.100 0.166 0.000 0.775 145 G HN 0.736 nan 8.290 nan 0.000 0.545 146 T N 1.049 115.714 114.554 0.187 0.000 2.720 146 T HA -0.137 4.212 4.350 -0.000 0.000 0.268 146 T C 2.593 177.497 174.700 0.339 0.000 1.037 146 T CA 1.766 64.003 62.100 0.228 0.000 1.144 146 T CB -0.522 68.451 68.868 0.174 0.000 0.864 146 T HN 0.276 nan 8.240 nan 0.000 0.444 147 T N 1.471 116.261 114.554 0.393 0.000 2.788 147 T HA -0.116 4.234 4.350 -0.000 0.000 0.268 147 T C 1.922 176.779 174.700 0.262 0.000 1.044 147 T CA 1.430 63.766 62.100 0.394 0.000 1.139 147 T CB -0.230 68.904 68.868 0.443 0.000 0.867 147 T HN 0.563 nan 8.240 nan 0.000 0.454 148 E N 0.621 120.961 120.200 0.232 0.000 2.051 148 E HA -0.094 4.256 4.350 -0.000 0.000 0.192 148 E C 2.160 178.884 176.600 0.206 0.000 0.991 148 E CA 0.850 57.366 56.400 0.194 0.000 0.799 148 E CB -0.207 29.600 29.700 0.180 0.000 0.748 148 E HN 0.422 nan 8.360 nan 0.000 0.449 149 L N 0.040 121.401 121.223 0.230 0.000 2.042 149 L HA -0.175 4.165 4.340 -0.000 0.000 0.210 149 L C 2.478 179.514 176.870 0.276 0.000 1.076 149 L CA 1.052 56.047 54.840 0.257 0.000 0.749 149 L CB -0.441 41.757 42.059 0.231 0.000 0.893 149 L HN 0.255 nan 8.230 nan 0.000 0.432 150 F N 1.136 121.099 119.950 0.022 0.000 2.118 150 F HA -0.176 4.351 4.527 -0.000 0.000 0.293 150 F C 2.823 178.554 175.800 -0.116 0.000 1.102 150 F CA 1.799 59.717 58.000 -0.137 0.000 1.247 150 F CB -0.666 38.069 39.000 -0.442 0.000 1.017 150 F HN 0.109 nan 8.300 nan 0.000 0.475 151 T N -1.611 112.865 114.554 -0.130 0.000 2.962 151 T HA -0.165 4.185 4.350 -0.000 0.000 0.270 151 T C 2.203 176.862 174.700 -0.070 0.000 1.088 151 T CA 1.196 63.175 62.100 -0.202 0.000 1.127 151 T CB -0.621 68.236 68.868 -0.018 0.000 0.883 151 T HN 0.323 nan 8.240 nan 0.000 0.493 152 R N -0.451 120.094 120.500 0.075 0.000 2.096 152 R HA -0.023 4.317 4.340 -0.000 0.000 0.235 152 R C 2.106 178.508 176.300 0.169 0.000 1.127 152 R CA 1.350 57.554 56.100 0.173 0.000 0.968 152 R CB -0.496 29.984 30.300 0.300 0.000 0.861 152 R HN 0.494 nan 8.270 nan 0.000 0.440 153 F N 0.918 120.806 119.950 -0.103 0.000 2.113 153 F HA -0.125 4.402 4.527 -0.000 0.000 0.297 153 F C 1.744 177.266 175.800 -0.464 0.000 1.103 153 F CA 1.391 59.094 58.000 -0.496 0.000 1.248 153 F CB -0.157 38.478 39.000 -0.609 0.000 0.999 153 F HN -0.042 nan 8.300 nan 0.000 0.475 154 L N 0.302 121.228 121.223 -0.496 0.000 2.046 154 L HA -0.269 4.071 4.340 -0.000 0.000 0.208 154 L C 2.469 179.166 176.870 -0.289 0.000 1.077 154 L CA 1.722 56.203 54.840 -0.599 0.000 0.747 154 L CB -1.042 40.379 42.059 -1.063 0.000 0.896 154 L HN 0.354 nan 8.230 nan 0.000 0.432 155 N N 0.668 119.279 118.700 -0.150 0.000 2.166 155 N HA -0.174 4.566 4.740 -0.000 0.000 0.186 155 N C 1.775 177.244 175.510 -0.068 0.000 1.019 155 N CA 1.447 54.490 53.050 -0.012 0.000 0.856 155 N CB 0.214 38.720 38.487 0.031 0.000 0.993 155 N HN 0.317 nan 8.380 nan 0.000 0.426 156 A N 0.463 123.192 122.820 -0.152 0.000 1.930 156 A HA 0.022 4.342 4.320 -0.000 0.000 0.215 156 A C 1.984 179.416 177.584 -0.253 0.000 1.176 156 A CA 0.965 52.923 52.037 -0.130 0.000 0.632 156 A CB 0.080 19.086 19.000 0.011 0.000 0.819 156 A HN 0.154 nan 8.150 nan 0.000 0.445 157 K N -1.550 118.565 120.400 -0.475 0.000 2.425 157 K HA 0.190 4.510 4.320 -0.000 0.000 0.201 157 K C -0.185 176.259 176.600 -0.259 0.000 1.128 157 K CA 0.199 56.209 56.287 -0.462 0.000 1.000 157 K CB 0.030 31.994 32.500 -0.894 0.000 0.961 157 K HN 0.355 nan 8.250 nan 0.000 0.555 158 c N 3.522 122.015 118.600 -0.178 0.000 2.298 158 c HA 0.163 4.733 4.570 -0.000 0.000 0.451 158 c C 1.562 175.685 174.090 0.055 0.000 1.028 158 c CA -0.313 56.018 56.329 0.003 0.000 1.324 158 c CB -1.584 41.037 42.510 0.185 0.000 1.534 158 c HN 0.412 nan 8.230 nan 0.000 0.528 159 T N -3.039 111.518 114.554 0.004 0.000 3.105 159 T HA 0.032 4.382 4.350 -0.000 0.000 0.253 159 T C 0.897 175.603 174.700 0.011 0.000 1.047 159 T CA 0.424 62.526 62.100 0.004 0.000 0.944 159 T CB -0.211 68.645 68.868 -0.020 0.000 1.016 159 T HN 0.609 nan 8.240 nan 0.000 0.544 160 T N -1.319 113.251 114.554 0.027 0.000 3.442 160 T HA 0.351 4.701 4.350 -0.000 0.000 0.295 160 T C -0.218 174.508 174.700 0.042 0.000 1.007 160 T CA -0.659 61.455 62.100 0.023 0.000 0.962 160 T CB 0.375 69.252 68.868 0.014 0.000 1.187 160 T HN 0.111 nan 8.240 nan 0.000 0.490 161 E N 2.122 122.367 120.200 0.073 0.000 2.312 161 E HA 0.323 4.673 4.350 -0.000 0.000 0.259 161 E C -1.529 175.108 176.600 0.061 0.000 1.122 161 E CA -2.277 54.186 56.400 0.104 0.000 0.922 161 E CB 0.671 30.500 29.700 0.215 0.000 1.109 161 E HN 0.043 nan 8.360 nan 0.000 0.442 162 P HA -0.088 nan 4.420 nan 0.000 0.215 162 P C 0.401 177.641 177.300 -0.100 0.000 1.153 162 P CA 1.350 64.455 63.100 0.009 0.000 0.853 162 P CB 0.195 31.920 31.700 0.043 0.000 0.788 163 G N -1.825 106.852 108.800 -0.204 0.000 2.795 163 G HA2 0.574 4.534 3.960 -0.000 0.000 0.267 163 G HA3 0.574 4.534 3.960 -0.000 0.000 0.267 163 G C -0.876 173.730 174.900 -0.490 0.000 1.362 163 G CA -0.210 44.518 45.100 -0.620 0.000 1.048 163 G HN 0.149 nan 8.290 nan 0.000 0.547 164 T N -2.654 111.536 114.554 -0.605 0.000 2.906 164 T HA 0.660 5.010 4.350 -0.000 0.000 0.295 164 T C -1.247 173.241 174.700 -0.353 0.000 1.075 164 T CA -0.666 61.253 62.100 -0.302 0.000 1.005 164 T CB 1.814 70.591 68.868 -0.151 0.000 1.136 164 T HN 0.196 nan 8.240 nan 0.000 0.498 165 F N 1.262 121.214 119.950 0.002 0.000 2.404 165 F HA 0.652 5.179 4.527 0.000 0.000 0.354 165 F C 0.905 176.669 175.800 -0.059 0.000 1.122 165 F CA -0.765 57.229 58.000 -0.010 0.000 1.080 165 F CB 1.189 40.167 39.000 -0.037 0.000 1.131 165 F HN 0.936 nan 8.300 nan 0.000 0.471 166 A N 2.941 125.814 122.820 0.088 0.000 2.340 166 A HA 0.582 4.902 4.320 -0.000 0.000 0.268 166 A C -0.369 177.257 177.584 0.071 0.000 1.100 166 A CA -0.614 51.453 52.037 0.049 0.000 0.803 166 A CB 0.383 19.387 19.000 0.007 0.000 1.043 166 A HN 0.550 nan 8.150 nan 0.000 0.488 167 V N 1.890 121.842 119.914 0.064 0.000 2.521 167 V HA 0.503 4.623 4.120 -0.000 0.000 0.286 167 V C 0.751 176.892 176.094 0.078 0.000 1.034 167 V CA 0.790 63.136 62.300 0.076 0.000 1.045 167 V CB 0.455 32.329 31.823 0.086 0.000 0.974 167 V HN 1.099 nan 8.190 nan 0.000 0.480 168 T N 1.945 116.556 114.554 0.096 0.000 2.786 168 T HA 0.312 4.662 4.350 -0.000 0.000 0.316 168 T C 0.708 175.492 174.700 0.140 0.000 1.503 168 T CA 0.210 62.371 62.100 0.101 0.000 1.019 168 T CB 1.916 70.831 68.868 0.079 0.000 1.415 168 T HN 0.811 nan 8.240 nan 0.000 0.496 169 T N -0.770 113.870 114.554 0.143 0.000 3.081 169 T HA 0.241 4.591 4.350 -0.000 0.000 0.250 169 T C 0.891 175.718 174.700 0.212 0.000 1.100 169 T CA 0.807 63.013 62.100 0.176 0.000 1.038 169 T CB -0.210 68.747 68.868 0.148 0.000 0.962 169 T HN 0.780 nan 8.240 nan 0.000 0.516 170 T N -0.188 114.482 114.554 0.193 0.000 2.809 170 T HA 0.438 4.788 4.350 -0.000 0.000 0.296 170 T C 0.310 175.152 174.700 0.237 0.000 1.015 170 T CA -1.028 61.212 62.100 0.233 0.000 0.954 170 T CB 0.569 69.550 68.868 0.187 0.000 0.950 170 T HN 0.154 nan 8.240 nan 0.000 0.450 171 F N 4.698 124.787 119.950 0.233 0.000 2.171 171 F HA 0.083 4.610 4.527 -0.000 0.000 0.300 171 F C 2.309 178.139 175.800 0.050 0.000 1.090 171 F CA 1.732 59.844 58.000 0.187 0.000 1.293 171 F CB -0.319 38.884 39.000 0.340 0.000 1.013 171 F HN 0.754 nan 8.300 nan 0.000 0.486 172 A N 0.011 122.840 122.820 0.016 0.000 2.131 172 A HA -0.191 4.129 4.320 -0.000 0.000 0.220 172 A C 1.679 179.193 177.584 -0.116 0.000 1.158 172 A CA 1.765 53.729 52.037 -0.121 0.000 0.665 172 A CB -0.693 18.343 19.000 0.060 0.000 0.795 172 A HN 0.525 nan 8.150 nan 0.000 0.460 173 N N -0.891 117.765 118.700 -0.072 0.000 2.280 173 N HA 0.019 4.759 4.740 -0.000 0.000 0.192 173 N C 1.543 176.996 175.510 -0.094 0.000 1.109 173 N CA 0.880 53.895 53.050 -0.058 0.000 0.855 173 N CB 0.291 38.777 38.487 -0.001 0.000 0.974 173 N HN 0.459 nan 8.380 nan 0.000 0.482 174 S N -0.206 115.387 115.700 -0.177 0.000 2.336 174 S HA -0.035 4.435 4.470 -0.000 0.000 0.216 174 S C 0.650 175.208 174.600 -0.069 0.000 1.032 174 S CA 0.163 58.306 58.200 -0.095 0.000 0.973 174 S CB -0.266 62.859 63.200 -0.124 0.000 0.888 174 S HN 0.368 nan 8.310 nan 0.000 0.455 175 Y N 2.519 122.612 120.300 -0.346 0.000 2.511 175 Y HA 0.123 4.673 4.550 -0.000 0.000 0.332 175 Y C 1.727 177.414 175.900 -0.355 0.000 1.177 175 Y CA 0.141 57.904 58.100 -0.562 0.000 1.422 175 Y CB 0.801 38.861 38.460 -0.666 0.000 1.271 175 Y HN 0.434 nan 8.280 nan 0.000 0.550 176 S N 4.298 119.557 115.700 -0.735 0.000 2.419 176 S HA -0.198 4.272 4.470 -0.000 0.000 0.233 176 S C 1.221 175.558 174.600 -0.438 0.000 1.016 176 S CA 1.243 59.144 58.200 -0.499 0.000 0.974 176 S CB -0.311 62.599 63.200 -0.483 0.000 0.786 176 S HN 0.804 nan 8.310 nan 0.000 0.492 177 L N 1.578 122.430 121.223 -0.618 0.000 2.611 177 L HA 0.340 4.680 4.340 -0.000 0.000 0.229 177 L C 1.436 178.282 176.870 -0.040 0.000 1.137 177 L CA 0.082 54.763 54.840 -0.266 0.000 0.901 177 L CB -1.090 40.836 42.059 -0.223 0.000 1.098 177 L HN 0.618 nan 8.230 nan 0.000 0.456 178 G N 0.210 108.998 108.800 -0.021 0.000 2.750 178 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.228 178 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.228 178 G C 0.247 175.188 174.900 0.068 0.000 1.367 178 G CA -0.287 44.820 45.100 0.012 0.000 0.871 178 G HN 0.076 nan 8.290 nan 0.000 0.560 179 L N 0.687 121.915 121.223 0.009 0.000 2.558 179 L HA 0.045 4.385 4.340 -0.000 0.000 0.225 179 L C 3.069 179.962 176.870 0.039 0.000 1.128 179 L CA 1.197 56.042 54.840 0.008 0.000 0.868 179 L CB -0.687 41.359 42.059 -0.023 0.000 1.006 179 L HN 0.765 nan 8.230 nan 0.000 0.454 180 T N 0.854 115.433 114.554 0.042 0.000 2.685 180 T HA -0.146 4.204 4.350 -0.000 0.000 0.268 180 T C -0.438 174.285 174.700 0.038 0.000 1.034 180 T CA 1.566 63.691 62.100 0.041 0.000 1.149 180 T CB -1.010 67.877 68.868 0.032 0.000 0.860 180 T HN 0.276 nan 8.240 nan 0.000 0.449 181 P HA 0.085 nan 4.420 nan 0.000 0.225 181 P C 0.097 177.400 177.300 0.005 0.000 1.148 181 P CA 0.605 63.719 63.100 0.024 0.000 0.779 181 P CB -0.156 31.565 31.700 0.035 0.000 0.780 182 L N -0.342 120.891 121.223 0.016 0.000 2.326 182 L HA 0.401 4.741 4.340 -0.000 0.000 0.278 182 L C 0.573 177.466 176.870 0.037 0.000 1.092 182 L CA -1.066 53.787 54.840 0.022 0.000 0.810 182 L CB 0.831 42.924 42.059 0.057 0.000 1.153 182 L HN -0.124 nan 8.230 nan 0.000 0.439 183 A N 2.197 125.033 122.820 0.026 0.000 2.289 183 A HA 0.542 4.862 4.320 -0.000 0.000 0.298 183 A C 0.986 178.602 177.584 0.053 0.000 1.208 183 A CA 0.212 52.271 52.037 0.036 0.000 0.845 183 A CB 0.520 19.534 19.000 0.023 0.000 1.125 183 A HN 1.044 nan 8.150 nan 0.000 0.517 184 G N 1.259 110.100 108.800 0.069 0.000 2.283 184 G HA2 0.122 4.082 3.960 -0.000 0.000 0.280 184 G HA3 0.122 4.082 3.960 -0.000 0.000 0.280 184 G C 0.604 175.570 174.900 0.110 0.000 1.029 184 G CA 0.627 45.774 45.100 0.079 0.000 0.840 184 G HN 2.086 nan 8.290 nan 0.000 0.505 185 A N -1.161 121.755 122.820 0.159 0.000 2.483 185 A HA 0.613 4.932 4.320 -0.000 0.000 0.238 185 A C 0.469 178.217 177.584 0.274 0.000 1.070 185 A CA 0.554 52.744 52.037 0.255 0.000 0.770 185 A CB 1.008 20.223 19.000 0.357 0.000 1.008 185 A HN 1.218 nan 8.150 nan 0.000 0.497 186 V N 1.511 121.534 119.914 0.181 0.000 2.487 186 V HA 0.607 4.727 4.120 -0.000 0.000 0.298 186 V C 0.476 176.345 176.094 -0.375 0.000 1.028 186 V CA -0.124 62.163 62.300 -0.022 0.000 0.860 186 V CB 1.495 33.303 31.823 -0.025 0.000 0.991 186 V HN 1.249 nan 8.190 nan 0.000 0.427 187 A N 3.982 126.491 122.820 -0.518 0.000 2.303 187 A HA 0.991 5.311 4.320 -0.000 0.000 0.317 187 A C -0.023 177.325 177.584 -0.392 0.000 1.149 187 A CA 0.045 51.555 52.037 -0.878 0.000 0.822 187 A CB 1.323 19.977 19.000 -0.577 0.000 1.131 187 A HN 1.477 nan 8.150 nan 0.000 0.493 188 A N 0.829 123.445 122.820 -0.340 0.000 2.566 188 A HA 0.809 5.129 4.320 -0.000 0.000 0.292 188 A C -0.333 177.162 177.584 -0.149 0.000 1.112 188 A CA -0.487 51.434 52.037 -0.194 0.000 0.707 188 A CB 1.135 20.029 19.000 -0.178 0.000 1.302 188 A HN 0.802 nan 8.150 nan 0.000 0.409 189 T N 0.982 115.475 114.554 -0.102 0.000 2.794 189 T HA 0.656 5.006 4.350 -0.000 0.000 0.280 189 T C 0.429 175.075 174.700 -0.089 0.000 0.987 189 T CA 0.844 62.900 62.100 -0.072 0.000 0.993 189 T CB 0.975 69.817 68.868 -0.043 0.000 0.939 189 T HN 2.378 nan 8.240 nan 0.000 0.449 190 G N 2.378 111.121 108.800 -0.095 0.000 2.846 190 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.660 190 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.660 190 G C 0.896 175.648 174.900 -0.246 0.000 1.464 190 G CA -0.242 44.775 45.100 -0.137 0.000 0.891 190 G HN 0.641 nan 8.290 nan 0.000 0.552 191 S N -0.023 115.427 115.700 -0.417 0.000 2.383 191 S HA -0.083 4.387 4.470 -0.000 0.000 0.227 191 S C 1.893 176.157 174.600 -0.561 0.000 1.026 191 S CA 1.720 59.479 58.200 -0.735 0.000 0.981 191 S CB -0.232 62.005 63.200 -1.605 0.000 0.818 191 S HN 0.665 nan 8.310 nan 0.000 0.472 192 D N 1.308 121.524 120.400 -0.307 0.000 2.097 192 D HA -0.061 4.579 4.640 -0.000 0.000 0.195 192 D C 2.191 178.462 176.300 -0.048 0.000 0.989 192 D CA 1.341 55.341 54.000 -0.001 0.000 0.827 192 D CB -0.708 40.141 40.800 0.083 0.000 0.966 192 D HN 0.471 nan 8.370 nan 0.000 0.456 193 G N 0.716 109.462 108.800 -0.090 0.000 2.418 193 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.217 193 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.217 193 G C 1.921 176.754 174.900 -0.110 0.000 1.158 193 G CA 0.600 45.650 45.100 -0.084 0.000 0.771 193 G HN 0.208 nan 8.290 nan 0.000 0.545 194 V N 1.039 120.855 119.914 -0.163 0.000 2.255 194 V HA -0.193 3.927 4.120 -0.000 0.000 0.247 194 V C 2.938 178.956 176.094 -0.127 0.000 1.051 194 V CA 1.840 64.029 62.300 -0.186 0.000 1.018 194 V CB -0.316 31.338 31.823 -0.281 0.000 0.641 194 V HN 0.264 nan 8.190 nan 0.000 0.445 195 M N -0.536 119.007 119.600 -0.095 0.000 2.229 195 M HA -0.049 4.431 4.480 -0.000 0.000 0.264 195 M C 2.340 178.622 176.300 -0.030 0.000 1.063 195 M CA 1.920 57.196 55.300 -0.040 0.000 1.114 195 M CB -1.501 31.122 32.600 0.037 0.000 1.387 195 M HN 0.404 nan 8.290 nan 0.000 0.420 196 A N 0.048 122.851 122.820 -0.028 0.000 1.902 196 A HA -0.019 4.301 4.320 -0.000 0.000 0.217 196 A C 2.410 179.974 177.584 -0.033 0.000 1.181 196 A CA 2.065 54.087 52.037 -0.025 0.000 0.623 196 A CB -0.866 18.122 19.000 -0.021 0.000 0.818 196 A HN 0.462 nan 8.150 nan 0.000 0.443 197 A N -0.554 122.237 122.820 -0.048 0.000 1.877 197 A HA -0.032 4.288 4.320 -0.000 0.000 0.216 197 A C 2.146 179.712 177.584 -0.029 0.000 1.186 197 A CA 1.666 53.676 52.037 -0.045 0.000 0.620 197 A CB -0.649 18.309 19.000 -0.070 0.000 0.822 197 A HN 0.633 nan 8.150 nan 0.000 0.443 198 L N 0.132 121.335 121.223 -0.035 0.000 2.042 198 L HA -0.144 4.196 4.340 -0.000 0.000 0.210 198 L C 1.402 178.264 176.870 -0.014 0.000 1.076 198 L CA 2.015 56.846 54.840 -0.014 0.000 0.749 198 L CB -0.440 41.604 42.059 -0.025 0.000 0.893 198 L HN 0.323 nan 8.230 nan 0.000 0.432 199 N N -0.474 118.210 118.700 -0.026 0.000 2.398 199 N HA -0.052 4.688 4.740 -0.000 0.000 0.188 199 N C -0.112 175.384 175.510 -0.023 0.000 1.122 199 N CA 0.164 53.196 53.050 -0.030 0.000 0.866 199 N CB -0.460 38.006 38.487 -0.035 0.000 0.970 199 N HN 0.339 nan 8.380 nan 0.000 0.462 200 D N 1.216 121.606 120.400 -0.017 0.000 2.402 200 D HA -0.054 4.586 4.640 -0.000 0.000 0.268 200 D C 1.073 177.367 176.300 -0.010 0.000 1.294 200 D CA 0.307 54.299 54.000 -0.013 0.000 0.945 200 D CB 0.497 41.291 40.800 -0.011 0.000 1.112 200 D HN 0.231 nan 8.370 nan 0.000 0.517 201 T N -0.520 114.025 114.554 -0.014 0.000 3.160 201 T HA -0.114 4.236 4.350 -0.000 0.000 0.257 201 T C 1.551 176.246 174.700 -0.008 0.000 1.147 201 T CA 0.881 62.974 62.100 -0.013 0.000 1.064 201 T CB -0.357 68.500 68.868 -0.018 0.000 0.949 201 T HN 0.371 nan 8.240 nan 0.000 0.526 202 T N 0.109 114.660 114.554 -0.006 0.000 3.148 202 T HA 0.288 4.638 4.350 -0.000 0.000 0.253 202 T C 0.626 175.328 174.700 0.002 0.000 1.134 202 T CA 0.096 62.195 62.100 -0.003 0.000 1.051 202 T CB -0.799 68.067 68.868 -0.003 0.000 0.959 202 T HN 0.532 nan 8.240 nan 0.000 0.525 203 V N -2.330 117.587 119.914 0.005 0.000 3.113 203 V HA 0.943 5.063 4.120 -0.000 0.000 0.316 203 V C 0.228 176.331 176.094 0.015 0.000 1.125 203 V CA -1.746 60.561 62.300 0.012 0.000 1.026 203 V CB 1.005 32.838 31.823 0.016 0.000 1.080 203 V HN 0.323 nan 8.190 nan 0.000 0.444 204 A N 0.965 123.798 122.820 0.023 0.000 2.520 204 A HA 0.304 4.624 4.320 -0.000 0.000 0.235 204 A C 0.474 178.079 177.584 0.035 0.000 1.065 204 A CA -0.036 52.017 52.037 0.027 0.000 0.764 204 A CB -0.451 18.571 19.000 0.036 0.000 1.002 204 A HN 0.951 nan 8.150 nan 0.000 0.502 205 E N -0.390 119.824 120.200 0.024 0.000 2.422 205 E HA 0.331 4.681 4.350 -0.000 0.000 0.260 205 E C 1.045 177.695 176.600 0.083 0.000 1.108 205 E CA 1.169 57.584 56.400 0.025 0.000 0.943 205 E CB 0.375 30.059 29.700 -0.026 0.000 0.961 205 E HN 1.135 nan 8.360 nan 0.000 0.443 206 G N 1.682 110.569 108.800 0.145 0.000 2.613 206 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.199 206 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.199 206 G C 0.152 175.331 174.900 0.464 0.000 0.991 206 G CA -0.588 44.746 45.100 0.390 0.000 0.756 206 G HN 0.363 nan 8.290 nan 0.000 0.515 207 R N 0.112 120.779 120.500 0.278 0.000 2.594 207 R HA 0.722 5.062 4.340 -0.000 0.000 0.272 207 R C -0.405 176.078 176.300 0.305 0.000 1.074 207 R CA 0.211 56.440 56.100 0.216 0.000 1.105 207 R CB 1.138 31.511 30.300 0.121 0.000 1.008 207 R HN 0.378 nan 8.270 nan 0.000 0.472 208 I N 0.122 120.814 120.570 0.203 0.000 2.913 208 I HA 0.378 4.548 4.170 -0.000 0.000 0.302 208 I C -0.877 175.334 176.117 0.157 0.000 1.246 208 I CA -0.184 61.260 61.300 0.240 0.000 1.010 208 I CB 2.561 40.640 38.000 0.132 0.000 1.259 208 I HN 0.627 nan 8.210 nan 0.000 0.434 209 T N 3.441 118.121 114.554 0.210 0.000 2.645 209 T HA 0.579 4.929 4.350 -0.000 0.000 0.300 209 T C -2.039 172.724 174.700 0.106 0.000 1.210 209 T CA -0.358 61.828 62.100 0.143 0.000 1.034 209 T CB 1.213 70.022 68.868 -0.098 0.000 1.537 209 T HN 0.499 nan 8.240 nan 0.000 0.492 210 Y N 0.432 120.573 120.300 -0.265 0.000 2.425 210 Y HA 0.913 5.463 4.550 -0.000 0.000 0.344 210 Y C -0.888 174.793 175.900 -0.365 0.000 0.969 210 Y CA -1.208 56.533 58.100 -0.597 0.000 1.052 210 Y CB 1.131 38.617 38.460 -1.623 0.000 1.215 210 Y HN 0.752 nan 8.280 nan 0.000 0.451 211 I N 1.435 121.867 120.570 -0.230 0.000 2.947 211 I HA 0.285 4.455 4.170 -0.000 0.000 0.301 211 I C -0.662 175.423 176.117 -0.053 0.000 1.453 211 I CA -0.807 60.375 61.300 -0.195 0.000 0.984 211 I CB 2.381 40.266 38.000 -0.191 0.000 1.333 211 I HN 0.866 nan 8.210 nan 0.000 0.475 212 S N 6.035 121.731 115.700 -0.006 0.000 2.642 212 S HA 0.069 4.539 4.470 -0.000 0.000 0.308 212 S C -1.511 173.160 174.600 0.118 0.000 1.255 212 S CA -0.284 58.005 58.200 0.149 0.000 1.057 212 S CB 0.624 64.007 63.200 0.305 0.000 0.785 212 S HN 0.498 nan 8.310 nan 0.000 0.500 213 P HA -0.051 nan 4.420 nan 0.000 0.223 213 P C 0.766 177.962 177.300 -0.172 0.000 1.151 213 P CA 0.738 63.780 63.100 -0.097 0.000 0.787 213 P CB 0.058 31.660 31.700 -0.163 0.000 0.788 214 D N -1.340 118.927 120.400 -0.221 0.000 2.350 214 D HA -0.064 4.575 4.640 -0.000 0.000 0.216 214 D C 0.988 177.121 176.300 -0.278 0.000 0.968 214 D CA 0.700 54.496 54.000 -0.339 0.000 0.894 214 D CB -0.440 40.093 40.800 -0.445 0.000 0.909 214 D HN 0.162 nan 8.370 nan 0.000 0.520 215 F N -1.016 118.851 119.950 -0.140 0.000 2.706 215 F HA 0.364 4.891 4.527 -0.000 0.000 0.308 215 F C 2.062 177.790 175.800 -0.120 0.000 1.095 215 F CA -0.081 57.853 58.000 -0.110 0.000 1.244 215 F CB 0.388 39.338 39.000 -0.083 0.000 1.063 215 F HN -0.089 nan 8.300 nan 0.000 0.582 216 A N 0.249 123.091 122.820 0.038 0.000 2.119 216 A HA 0.581 4.901 4.320 -0.000 0.000 0.216 216 A C 1.017 178.554 177.584 -0.078 0.000 1.152 216 A CA 0.987 53.008 52.037 -0.027 0.000 0.708 216 A CB -0.426 18.540 19.000 -0.057 0.000 0.805 216 A HN 0.149 nan 8.150 nan 0.000 0.460 217 A N -1.385 121.375 122.820 -0.101 0.000 2.606 217 A HA 0.636 4.956 4.320 -0.000 0.000 0.293 217 A C -2.428 175.079 177.584 -0.128 0.000 1.082 217 A CA -0.964 51.002 52.037 -0.118 0.000 0.685 217 A CB 0.288 19.210 19.000 -0.129 0.000 1.284 217 A HN -0.040 nan 8.150 nan 0.000 0.408 218 P HA 0.068 nan 4.420 nan 0.000 0.229 218 P C 0.542 177.764 177.300 -0.131 0.000 1.160 218 P CA 1.720 64.746 63.100 -0.123 0.000 0.777 218 P CB 0.091 31.730 31.700 -0.101 0.000 0.814 219 T N -5.019 109.459 114.554 -0.127 0.000 2.883 219 T HA 0.385 4.735 4.350 -0.000 0.000 0.296 219 T C 0.938 175.557 174.700 -0.135 0.000 1.117 219 T CA -0.856 61.168 62.100 -0.126 0.000 1.006 219 T CB 0.768 69.575 68.868 -0.102 0.000 1.191 219 T HN -0.232 nan 8.240 nan 0.000 0.508 220 L N 0.795 121.936 121.223 -0.137 0.000 2.043 220 L HA -0.114 4.226 4.340 -0.000 0.000 0.212 220 L C 3.159 179.958 176.870 -0.118 0.000 1.075 220 L CA 2.068 56.825 54.840 -0.139 0.000 0.752 220 L CB -0.962 41.020 42.059 -0.129 0.000 0.891 220 L HN 0.956 nan 8.230 nan 0.000 0.432 221 A N 0.117 122.877 122.820 -0.099 0.000 2.015 221 A HA -0.064 4.256 4.320 -0.000 0.000 0.219 221 A C 2.353 179.884 177.584 -0.088 0.000 1.163 221 A CA 1.369 53.356 52.037 -0.084 0.000 0.646 221 A CB -0.994 17.964 19.000 -0.070 0.000 0.806 221 A HN 0.466 nan 8.150 nan 0.000 0.448 222 G N -0.148 108.592 108.800 -0.099 0.000 2.470 222 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.220 222 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.220 222 G C 1.377 176.210 174.900 -0.111 0.000 1.121 222 G CA 0.880 45.917 45.100 -0.105 0.000 0.766 222 G HN 0.474 nan 8.290 nan 0.000 0.553 223 L N 0.309 121.461 121.223 -0.118 0.000 2.275 223 L HA 0.033 4.373 4.340 -0.000 0.000 0.215 223 L C 1.478 178.287 176.870 -0.102 0.000 1.119 223 L CA 0.641 55.405 54.840 -0.126 0.000 0.790 223 L CB -0.063 41.902 42.059 -0.158 0.000 0.919 223 L HN 0.074 nan 8.230 nan 0.000 0.443 224 D N -0.769 119.580 120.400 -0.084 0.000 2.328 224 D HA -0.026 4.614 4.640 -0.000 0.000 0.221 224 D C 0.284 176.561 176.300 -0.038 0.000 1.072 224 D CA 0.405 54.372 54.000 -0.055 0.000 0.850 224 D CB 0.116 40.887 40.800 -0.050 0.000 0.922 224 D HN 0.140 nan 8.370 nan 0.000 0.516 225 D N 0.699 121.067 120.400 -0.052 0.000 2.441 225 D HA 0.227 4.867 4.640 -0.000 0.000 0.221 225 D C 0.806 177.092 176.300 -0.022 0.000 1.156 225 D CA -0.474 53.499 54.000 -0.045 0.000 0.896 225 D CB 0.980 41.734 40.800 -0.077 0.000 1.028 225 D HN -0.087 nan 8.370 nan 0.000 0.509 226 A N 2.880 125.722 122.820 0.036 0.000 2.235 226 A HA -0.039 4.281 4.320 -0.000 0.000 0.208 226 A C 1.715 179.429 177.584 0.218 0.000 1.172 226 A CA 0.999 53.112 52.037 0.128 0.000 0.786 226 A CB -0.446 18.627 19.000 0.121 0.000 0.804 226 A HN 0.568 nan 8.150 nan 0.000 0.479 227 T N -4.325 110.290 114.554 0.101 0.000 3.107 227 T HA 0.248 4.598 4.350 -0.000 0.000 0.249 227 T C 1.140 175.757 174.700 -0.139 0.000 1.096 227 T CA 0.774 62.949 62.100 0.124 0.000 1.012 227 T CB 0.018 68.902 68.868 0.025 0.000 0.977 227 T HN 0.479 nan 8.240 nan 0.000 0.527 228 K N -0.307 119.848 120.400 -0.408 0.000 2.585 228 K HA 0.336 4.656 4.320 -0.000 0.000 0.210 228 K C -0.670 175.381 176.600 -0.915 0.000 1.504 228 K CA -0.009 55.760 56.287 -0.863 0.000 1.029 228 K CB 1.775 34.030 32.500 -0.409 0.000 1.332 228 K HN 0.130 nan 8.250 nan 0.000 0.569 229 V N 2.196 121.901 119.914 -0.348 0.000 2.409 229 V HA 0.433 4.553 4.120 -0.000 0.000 0.290 229 V C -0.526 175.713 176.094 0.242 0.000 1.017 229 V CA -1.217 61.047 62.300 -0.059 0.000 0.841 229 V CB 1.237 33.012 31.823 -0.080 0.000 1.003 229 V HN 0.260 nan 8.190 nan 0.000 0.426 230 A N 5.876 128.995 122.820 0.498 0.000 2.540 230 A HA 0.415 4.735 4.320 -0.000 0.000 0.239 230 A C 0.589 178.336 177.584 0.271 0.000 1.061 230 A CA 0.095 52.394 52.037 0.437 0.000 0.758 230 A CB 0.093 19.316 19.000 0.371 0.000 0.991 230 A HN 0.855 nan 8.150 nan 0.000 0.502 231 R N 0.526 121.158 120.500 0.220 0.000 2.582 231 R HA 0.497 4.837 4.340 -0.000 0.000 0.271 231 R C -0.887 175.534 176.300 0.202 0.000 1.078 231 R CA -0.290 55.934 56.100 0.205 0.000 1.127 231 R CB 0.841 31.226 30.300 0.142 0.000 1.038 231 R HN 0.444 nan 8.270 nan 0.000 0.500 232 V N 0.375 120.411 119.914 0.203 0.000 2.760 232 V HA 0.595 4.715 4.120 -0.000 0.000 0.309 232 V C 0.623 176.685 176.094 -0.054 0.000 1.077 232 V CA -0.007 62.305 62.300 0.020 0.000 0.910 232 V CB 1.783 33.508 31.823 -0.164 0.000 1.008 232 V HN 1.060 nan 8.190 nan 0.000 0.424 233 G N 3.464 112.244 108.800 -0.033 0.000 2.273 233 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.162 233 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.162 233 G C 0.196 175.103 174.900 0.012 0.000 1.006 233 G CA -0.021 45.065 45.100 -0.024 0.000 0.704 233 G HN 0.771 nan 8.290 nan 0.000 0.487 234 K N 0.735 121.149 120.400 0.024 0.000 2.524 234 K HA 0.465 4.785 4.320 -0.000 0.000 0.279 234 K C 0.817 177.430 176.600 0.022 0.000 0.993 234 K CA 1.148 57.451 56.287 0.027 0.000 1.030 234 K CB 0.093 32.612 32.500 0.032 0.000 0.891 234 K HN 1.007 nan 8.250 nan 0.000 0.488 235 G N 1.060 109.872 108.800 0.021 0.000 2.348 235 G HA2 0.348 4.308 3.960 -0.000 0.000 0.296 235 G HA3 0.348 4.308 3.960 -0.000 0.000 0.296 235 G C -1.819 173.091 174.900 0.018 0.000 1.258 235 G CA -0.654 44.457 45.100 0.019 0.000 0.868 235 G HN 0.490 nan 8.290 nan 0.000 0.488 236 V N 0.038 119.962 119.914 0.017 0.000 2.569 236 V HA 0.674 4.794 4.120 -0.000 0.000 0.301 236 V C -0.600 175.504 176.094 0.016 0.000 1.044 236 V CA -0.627 61.682 62.300 0.016 0.000 0.874 236 V CB 1.475 33.306 31.823 0.014 0.000 1.002 236 V HN 0.745 nan 8.190 nan 0.000 0.424 237 V N 4.459 124.384 119.914 0.017 0.000 2.531 237 V HA 0.511 4.631 4.120 -0.000 0.000 0.301 237 V C 0.195 176.300 176.094 0.017 0.000 1.034 237 V CA -0.857 61.454 62.300 0.018 0.000 0.865 237 V CB 1.845 33.681 31.823 0.021 0.000 0.995 237 V HN 0.972 nan 8.190 nan 0.000 0.424 238 N N 3.747 122.457 118.700 0.016 0.000 2.716 238 N HA -0.227 4.513 4.740 -0.000 0.000 0.250 238 N C 1.192 176.711 175.510 0.014 0.000 1.033 238 N CA 1.561 54.620 53.050 0.015 0.000 0.727 238 N CB -1.108 37.389 38.487 0.016 0.000 0.950 238 N HN 1.616 nan 8.380 nan 0.000 0.541 239 G N -2.962 105.846 108.800 0.013 0.000 2.184 239 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.264 239 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.264 239 G C -0.040 174.868 174.900 0.013 0.000 0.975 239 G CA 0.419 45.526 45.100 0.012 0.000 0.642 239 G HN 0.529 nan 8.290 nan 0.000 0.536 240 V N 1.155 121.077 119.914 0.014 0.000 2.448 240 V HA 0.775 4.895 4.120 -0.000 0.000 0.295 240 V C 0.819 176.923 176.094 0.016 0.000 1.025 240 V CA -0.536 61.773 62.300 0.014 0.000 0.859 240 V CB 1.447 33.279 31.823 0.015 0.000 0.988 240 V HN 1.122 nan 8.190 nan 0.000 0.431 241 A N 5.029 127.858 122.820 0.016 0.000 2.511 241 A HA 0.559 4.879 4.320 -0.000 0.000 0.242 241 A C -0.011 177.584 177.584 0.019 0.000 1.069 241 A CA 0.095 52.142 52.037 0.017 0.000 0.763 241 A CB 0.248 19.258 19.000 0.017 0.000 1.001 241 A HN 1.523 nan 8.150 nan 0.000 0.498 242 V N 0.384 120.311 119.914 0.021 0.000 2.876 242 V HA 0.661 4.781 4.120 -0.000 0.000 0.312 242 V C -0.445 175.665 176.094 0.027 0.000 1.085 242 V CA -0.934 61.381 62.300 0.024 0.000 0.945 242 V CB 1.668 33.506 31.823 0.024 0.000 1.017 242 V HN 0.907 nan 8.190 nan 0.000 0.428 243 E N 2.023 122.241 120.200 0.030 0.000 2.277 243 E HA 0.573 4.923 4.350 -0.000 0.000 0.274 243 E C 0.444 177.069 176.600 0.042 0.000 1.022 243 E CA -0.244 56.178 56.400 0.036 0.000 0.853 243 E CB 1.952 31.674 29.700 0.037 0.000 1.086 243 E HN 1.091 nan 8.360 nan 0.000 0.397 244 G N 1.822 110.651 108.800 0.050 0.000 2.651 244 G HA2 0.146 4.106 3.960 -0.000 0.000 0.260 244 G HA3 0.146 4.106 3.960 -0.000 0.000 0.260 244 G C -0.247 174.707 174.900 0.090 0.000 1.216 244 G CA -0.378 44.758 45.100 0.060 0.000 0.913 244 G HN 0.198 nan 8.290 nan 0.000 0.535 245 K N -0.266 120.217 120.400 0.139 0.000 2.166 245 K HA 0.440 4.760 4.320 -0.000 0.000 0.245 245 K C 0.645 177.379 176.600 0.224 0.000 0.967 245 K CA -0.546 55.843 56.287 0.170 0.000 0.863 245 K CB 1.638 34.257 32.500 0.199 0.000 1.107 245 K HN 0.649 nan 8.250 nan 0.000 0.436 246 S N 0.939 116.685 115.700 0.077 0.000 2.600 246 S HA 0.220 4.690 4.470 -0.000 0.000 0.265 246 S C -1.642 172.750 174.600 -0.347 0.000 1.325 246 S CA -0.742 57.426 58.200 -0.053 0.000 1.002 246 S CB 0.603 63.758 63.200 -0.075 0.000 0.921 246 S HN 0.414 nan 8.310 nan 0.000 0.554 247 P HA 0.209 nan 4.420 nan 0.000 0.255 247 P C 0.246 177.232 177.300 -0.524 0.000 1.357 247 P CA -0.000 62.420 63.100 -1.132 0.000 0.839 247 P CB -0.681 30.450 31.700 -0.949 0.000 1.356 248 A N 0.737 123.366 122.820 -0.318 0.000 2.520 248 A HA 0.311 4.631 4.320 -0.000 0.000 0.235 248 A C 1.889 179.371 177.584 -0.170 0.000 1.065 248 A CA 0.446 52.360 52.037 -0.205 0.000 0.764 248 A CB -0.023 18.895 19.000 -0.137 0.000 1.002 248 A HN 0.225 nan 8.150 nan 0.000 0.502 249 A N 2.206 124.944 122.820 -0.136 0.000 1.948 249 A HA 0.043 4.363 4.320 -0.000 0.000 0.220 249 A C 2.334 179.886 177.584 -0.054 0.000 1.177 249 A CA 2.500 54.486 52.037 -0.085 0.000 0.636 249 A CB -0.970 17.991 19.000 -0.065 0.000 0.815 249 A HN 1.827 nan 8.150 nan 0.000 0.449 250 A N -0.102 122.686 122.820 -0.053 0.000 2.019 250 A HA -0.141 4.179 4.320 -0.000 0.000 0.219 250 A C 1.675 179.252 177.584 -0.012 0.000 1.164 250 A CA 1.527 53.548 52.037 -0.027 0.000 0.644 250 A CB -0.455 18.529 19.000 -0.026 0.000 0.805 250 A HN 0.552 nan 8.150 nan 0.000 0.449 251 N N -0.262 118.426 118.700 -0.020 0.000 2.398 251 N HA -0.011 4.729 4.740 -0.000 0.000 0.188 251 N C 1.220 176.760 175.510 0.051 0.000 1.122 251 N CA 1.343 54.406 53.050 0.022 0.000 0.866 251 N CB 0.629 39.137 38.487 0.036 0.000 0.970 251 N HN 0.559 nan 8.380 nan 0.000 0.462 252 V N -3.887 116.037 119.914 0.017 0.000 3.556 252 V HA 0.262 4.382 4.120 -0.000 0.000 0.287 252 V C 1.987 178.079 176.094 -0.003 0.000 1.422 252 V CA 0.266 62.572 62.300 0.010 0.000 1.038 252 V CB 0.382 32.197 31.823 -0.014 0.000 0.850 252 V HN 0.025 nan 8.190 nan 0.000 0.437 253 S N 1.690 117.394 115.700 0.005 0.000 2.382 253 S HA -0.087 4.383 4.470 -0.000 0.000 0.228 253 S C 2.147 176.773 174.600 0.042 0.000 1.027 253 S CA 2.037 60.247 58.200 0.017 0.000 0.991 253 S CB -0.265 62.945 63.200 0.017 0.000 0.823 253 S HN 1.011 nan 8.310 nan 0.000 0.469 254 A N 1.465 124.312 122.820 0.045 0.000 1.877 254 A HA 0.207 4.527 4.320 -0.000 0.000 0.216 254 A C 2.514 180.150 177.584 0.086 0.000 1.186 254 A CA 1.874 53.948 52.037 0.063 0.000 0.620 254 A CB -1.479 17.554 19.000 0.055 0.000 0.822 254 A HN 0.805 nan 8.150 nan 0.000 0.443 255 A N -0.035 122.834 122.820 0.081 0.000 1.908 255 A HA -0.091 4.229 4.320 -0.000 0.000 0.218 255 A C 1.972 179.662 177.584 0.176 0.000 1.181 255 A CA 1.696 53.804 52.037 0.119 0.000 0.627 255 A CB -0.515 18.525 19.000 0.067 0.000 0.818 255 A HN 0.403 nan 8.150 nan 0.000 0.445 256 I N 1.226 121.873 120.570 0.127 0.000 2.286 256 I HA -0.196 3.974 4.170 -0.000 0.000 0.248 256 I C 2.741 178.980 176.117 0.204 0.000 1.115 256 I CA 2.006 63.404 61.300 0.163 0.000 1.392 256 I CB -1.490 36.528 38.000 0.029 0.000 1.065 256 I HN 0.535 nan 8.210 nan 0.000 0.418 257 S N 0.935 116.731 115.700 0.159 0.000 2.469 257 S HA -0.075 4.395 4.470 -0.000 0.000 0.238 257 S C 1.550 176.269 174.600 0.199 0.000 0.998 257 S CA 0.962 59.266 58.200 0.173 0.000 0.957 257 S CB -0.885 62.390 63.200 0.125 0.000 0.764 257 S HN 0.385 nan 8.310 nan 0.000 0.514 258 V N -1.491 118.542 119.914 0.197 0.000 3.376 258 V HA 0.500 4.620 4.120 -0.000 0.000 0.313 258 V C 0.329 176.555 176.094 0.220 0.000 1.393 258 V CA -0.670 61.740 62.300 0.184 0.000 1.125 258 V CB -0.346 31.559 31.823 0.136 0.000 1.037 258 V HN 0.248 nan 8.190 nan 0.000 0.440 259 V N 3.813 123.907 119.914 0.300 0.000 2.521 259 V HA 0.289 4.409 4.120 -0.000 0.000 0.286 259 V C -1.826 174.504 176.094 0.394 0.000 1.034 259 V CA -0.824 61.662 62.300 0.310 0.000 1.045 259 V CB 0.768 32.801 31.823 0.350 0.000 0.974 259 V HN 0.460 nan 8.190 nan 0.000 0.480 260 P HA 0.299 nan 4.420 nan 0.000 0.277 260 P C -0.222 177.092 177.300 0.023 0.000 1.240 260 P CA -0.497 62.664 63.100 0.101 0.000 0.798 260 P CB 0.596 32.304 31.700 0.014 0.000 0.979 261 L N 3.195 124.232 121.223 -0.310 0.000 2.473 261 L HA 0.237 4.577 4.340 -0.000 0.000 0.268 261 L C -1.600 174.951 176.870 -0.532 0.000 1.215 261 L CA -1.578 52.800 54.840 -0.769 0.000 0.823 261 L CB -0.520 41.078 42.059 -0.769 0.000 1.099 261 L HN 0.316 nan 8.230 nan 0.000 0.483 262 P HA 0.167 nan 4.420 nan 0.000 0.274 262 P C -0.879 176.153 177.300 -0.446 0.000 1.231 262 P CA -0.526 62.264 63.100 -0.516 0.000 0.790 262 P CB 0.658 31.912 31.700 -0.744 0.000 0.951 263 A N 1.683 124.326 122.820 -0.295 0.000 2.445 263 A HA 0.396 4.716 4.320 -0.000 0.000 0.242 263 A C 1.691 179.136 177.584 -0.231 0.000 1.075 263 A CA 0.289 52.192 52.037 -0.224 0.000 0.777 263 A CB -0.347 18.565 19.000 -0.146 0.000 1.013 263 A HN 0.599 nan 8.150 nan 0.000 0.493 264 A N 2.049 124.758 122.820 -0.185 0.000 1.917 264 A HA 0.040 4.360 4.320 -0.000 0.000 0.219 264 A C 2.317 179.837 177.584 -0.108 0.000 1.182 264 A CA 2.519 54.466 52.037 -0.150 0.000 0.633 264 A CB -1.042 17.892 19.000 -0.111 0.000 0.819 264 A HN 1.802 nan 8.150 nan 0.000 0.448 265 A N -0.930 121.837 122.820 -0.089 0.000 2.070 265 A HA -0.112 4.208 4.320 -0.000 0.000 0.220 265 A C 1.504 179.062 177.584 -0.044 0.000 1.159 265 A CA 1.681 53.684 52.037 -0.056 0.000 0.656 265 A CB -0.297 18.675 19.000 -0.047 0.000 0.800 265 A HN 0.459 nan 8.150 nan 0.000 0.453 266 D N -1.093 119.260 120.400 -0.077 0.000 2.349 266 D HA 0.070 4.710 4.640 -0.000 0.000 0.214 266 D C 1.573 177.857 176.300 -0.027 0.000 1.063 266 D CA 0.091 54.057 54.000 -0.057 0.000 0.847 266 D CB -0.074 40.663 40.800 -0.106 0.000 0.933 266 D HN 0.412 nan 8.370 nan 0.000 0.513 267 R N 0.304 120.787 120.500 -0.028 0.000 2.328 267 R HA 0.020 4.360 4.340 -0.000 0.000 0.207 267 R C 1.867 178.428 176.300 0.434 0.000 1.056 267 R CA 0.585 56.773 56.100 0.146 0.000 1.016 267 R CB -0.039 30.325 30.300 0.107 0.000 0.872 267 R HN 0.017 nan 8.270 nan 0.000 0.471 268 G N 0.296 109.238 108.800 0.237 0.000 2.813 268 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.209 268 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.209 268 G C 0.226 175.283 174.900 0.261 0.000 1.150 268 G CA -0.302 44.941 45.100 0.237 0.000 0.785 268 G HN 0.270 nan 8.290 nan 0.000 0.535 269 N N 0.428 119.285 118.700 0.263 0.000 2.457 269 N HA 0.287 5.027 4.740 -0.000 0.000 0.250 269 N C -1.768 173.951 175.510 0.349 0.000 0.982 269 N CA -1.847 51.343 53.050 0.233 0.000 0.941 269 N CB 2.194 40.763 38.487 0.137 0.000 1.120 269 N HN -0.200 nan 8.380 nan 0.000 0.505 270 P HA -0.094 nan 4.420 nan 0.000 0.222 270 P C 0.447 177.932 177.300 0.310 0.000 1.147 270 P CA 0.851 64.158 63.100 0.345 0.000 0.790 270 P CB 0.272 32.079 31.700 0.178 0.000 0.780 271 D N -0.389 120.140 120.400 0.215 0.000 2.178 271 D HA -0.133 4.507 4.640 -0.000 0.000 0.201 271 D C 1.594 177.979 176.300 0.142 0.000 0.980 271 D CA 1.001 55.094 54.000 0.156 0.000 0.842 271 D CB -0.269 40.598 40.800 0.111 0.000 0.948 271 D HN 0.033 nan 8.370 nan 0.000 0.472 272 V N -2.920 117.070 119.914 0.126 0.000 3.461 272 V HA 0.088 4.208 4.120 -0.000 0.000 0.267 272 V C 1.581 177.677 176.094 0.003 0.000 1.186 272 V CA 0.379 62.681 62.300 0.003 0.000 1.154 272 V CB -1.098 30.654 31.823 -0.118 0.000 0.802 272 V HN 0.220 nan 8.190 nan 0.000 0.474 273 W N 0.141 121.514 121.300 0.122 0.000 3.003 273 W HA 0.385 5.044 4.660 -0.001 0.000 0.257 273 W C 0.642 177.242 176.519 0.136 0.000 1.308 273 W CA 0.150 57.614 57.345 0.199 0.000 1.529 273 W CB 0.409 29.993 29.460 0.207 0.000 1.115 273 W HN 0.022 nan 8.180 nan 0.000 0.659 274 V N 2.544 122.592 119.914 0.223 0.000 2.313 274 V HA 0.263 4.383 4.120 -0.000 0.000 0.278 274 V C -2.124 173.953 176.094 -0.029 0.000 1.017 274 V CA -2.142 60.182 62.300 0.040 0.000 0.823 274 V CB 0.793 32.678 31.823 0.102 0.000 1.010 274 V HN -0.323 nan 8.190 nan 0.000 0.443 275 P HA 0.309 nan 4.420 nan 0.000 0.275 275 P C -0.628 176.636 177.300 -0.060 0.000 1.227 275 P CA -0.005 63.001 63.100 -0.157 0.000 0.781 275 P CB 1.121 32.655 31.700 -0.277 0.000 0.906 276 V N 0.256 120.093 119.914 -0.127 0.000 2.914 276 V HA 0.638 4.758 4.120 -0.000 0.000 0.314 276 V C -0.860 175.059 176.094 -0.290 0.000 1.084 276 V CA -0.911 61.352 62.300 -0.061 0.000 0.963 276 V CB 1.518 33.377 31.823 0.060 0.000 1.025 276 V HN 0.197 nan 8.190 nan 0.000 0.432 277 F N 1.472 121.316 119.950 -0.176 0.000 2.450 277 F HA 0.978 5.505 4.527 -0.000 0.000 0.328 277 F C 1.071 176.583 175.800 -0.479 0.000 1.068 277 F CA 0.699 58.368 58.000 -0.552 0.000 1.007 277 F CB 2.146 40.397 39.000 -1.247 0.000 1.251 277 F HN 1.059 nan 8.300 nan 0.000 0.492 278 G N -0.532 108.123 108.800 -0.241 0.000 2.619 278 G HA2 0.475 4.435 3.960 -0.000 0.000 0.305 278 G HA3 0.475 4.435 3.960 -0.000 0.000 0.305 278 G C -0.097 174.934 174.900 0.219 0.000 1.330 278 G CA -0.188 44.969 45.100 0.094 0.000 0.789 278 G HN 0.759 nan 8.290 nan 0.000 0.487 279 A N -1.039 121.888 122.820 0.178 0.000 1.933 279 A HA 0.378 4.698 4.320 -0.000 0.000 0.218 279 A C 1.521 179.167 177.584 0.103 0.000 1.175 279 A CA 2.555 54.672 52.037 0.133 0.000 0.628 279 A CB -0.787 18.247 19.000 0.056 0.000 0.814 279 A HN 1.880 nan 8.150 nan 0.000 0.444 280 T N -4.333 110.264 114.554 0.071 0.000 2.896 280 T HA 0.533 4.883 4.350 -0.000 0.000 0.297 280 T C -0.499 174.222 174.700 0.034 0.000 1.108 280 T CA -0.439 61.692 62.100 0.053 0.000 1.004 280 T CB 1.418 70.308 68.868 0.036 0.000 1.159 280 T HN -0.022 nan 8.240 nan 0.000 0.499 281 T N 1.548 116.121 114.554 0.031 0.000 2.851 281 T HA 0.619 4.968 4.350 -0.000 0.000 0.298 281 T C 0.411 175.114 174.700 0.004 0.000 0.977 281 T CA 0.218 62.325 62.100 0.011 0.000 1.126 281 T CB 0.303 69.182 68.868 0.020 0.000 0.916 281 T HN 1.276 nan 8.240 nan 0.000 0.529 282 G N 0.409 109.204 108.800 -0.008 0.000 2.380 282 G HA2 0.468 4.428 3.960 -0.000 0.000 0.305 282 G HA3 0.468 4.428 3.960 -0.000 0.000 0.305 282 G C 0.293 175.184 174.900 -0.014 0.000 1.672 282 G CA 0.091 45.187 45.100 -0.007 0.000 0.904 282 G HN 1.093 nan 8.290 nan 0.000 0.686 283 G N -0.382 108.409 108.800 -0.015 0.000 2.221 283 G HA2 0.318 4.278 3.960 -0.000 0.000 0.265 283 G HA3 0.318 4.278 3.960 -0.000 0.000 0.265 283 G C 1.962 176.848 174.900 -0.024 0.000 1.041 283 G CA 1.386 46.476 45.100 -0.016 0.000 0.807 283 G HN 2.906 nan 8.290 nan 0.000 0.502 284 G N -3.024 105.755 108.800 -0.035 0.000 2.205 284 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.261 284 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.261 284 G C 0.622 175.482 174.900 -0.067 0.000 0.980 284 G CA 0.647 45.718 45.100 -0.048 0.000 0.632 284 G HN 1.677 nan 8.290 nan 0.000 0.533 285 V N 1.013 120.891 119.914 -0.061 0.000 2.649 285 V HA 0.511 4.631 4.120 -0.000 0.000 0.292 285 V C 0.890 176.910 176.094 -0.122 0.000 1.055 285 V CA -0.429 61.813 62.300 -0.096 0.000 1.023 285 V CB 1.782 33.575 31.823 -0.050 0.000 0.992 285 V HN 0.274 nan 8.190 nan 0.000 0.480 286 V N 3.752 123.522 119.914 -0.240 0.000 2.435 286 V HA 0.622 4.742 4.120 -0.000 0.000 0.290 286 V C 0.574 176.635 176.094 -0.054 0.000 1.030 286 V CA -0.723 61.456 62.300 -0.201 0.000 0.881 286 V CB 1.534 33.085 31.823 -0.454 0.000 0.983 286 V HN 1.029 nan 8.190 nan 0.000 0.445 287 A N 4.072 126.933 122.820 0.068 0.000 2.477 287 A HA 0.421 4.741 4.320 -0.000 0.000 0.246 287 A C -0.341 177.408 177.584 0.274 0.000 1.078 287 A CA -0.043 52.077 52.037 0.138 0.000 0.770 287 A CB -0.252 18.824 19.000 0.127 0.000 1.011 287 A HN 0.734 nan 8.150 nan 0.000 0.494 288 Y N 2.776 123.261 120.300 0.310 0.000 2.811 288 Y HA 0.121 4.671 4.550 0.000 0.000 0.334 288 Y C -1.267 174.710 175.900 0.128 0.000 1.247 288 Y CA -0.456 57.764 58.100 0.200 0.000 1.526 288 Y CB 0.215 38.772 38.460 0.162 0.000 1.284 288 Y HN 0.519 nan 8.280 nan 0.000 0.586 289 P HA -0.001 nan 4.420 nan 0.000 0.275 289 P C -0.521 176.852 177.300 0.123 0.000 1.227 289 P CA -0.188 63.000 63.100 0.147 0.000 0.781 289 P CB 1.139 32.891 31.700 0.087 0.000 0.906 290 D N -0.234 120.225 120.400 0.099 0.000 2.355 290 D HA -0.004 4.636 4.640 -0.000 0.000 0.218 290 D C 0.920 177.254 176.300 0.055 0.000 1.004 290 D CA 0.850 54.894 54.000 0.073 0.000 0.880 290 D CB 0.287 41.127 40.800 0.065 0.000 0.911 290 D HN 0.435 nan 8.370 nan 0.000 0.528 291 S N -1.395 114.339 115.700 0.056 0.000 2.709 291 S HA 0.711 5.181 4.470 -0.000 0.000 0.302 291 S C 0.609 175.236 174.600 0.045 0.000 1.127 291 S CA -0.197 58.031 58.200 0.047 0.000 0.905 291 S CB 2.581 65.809 63.200 0.048 0.000 1.151 291 S HN 0.266 nan 8.310 nan 0.000 0.510 292 G N 0.165 108.994 108.800 0.048 0.000 2.697 292 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.240 292 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.240 292 G C -0.709 174.239 174.900 0.079 0.000 1.346 292 G CA -0.083 45.057 45.100 0.066 0.000 0.887 292 G HN 1.439 nan 8.290 nan 0.000 0.569 293 Y N 3.198 123.476 120.300 -0.036 0.000 2.465 293 Y HA 0.422 4.972 4.550 -0.000 0.000 0.331 293 Y C -0.217 175.625 175.900 -0.097 0.000 1.102 293 Y CA -0.766 57.294 58.100 -0.066 0.000 1.358 293 Y CB 1.319 39.733 38.460 -0.077 0.000 1.213 293 Y HN 0.319 nan 8.280 nan 0.000 0.525 294 P HA -0.019 nan 4.420 nan 0.000 0.227 294 P C -0.291 176.688 177.300 -0.535 0.000 1.161 294 P CA 1.134 63.986 63.100 -0.415 0.000 0.788 294 P CB 0.549 32.060 31.700 -0.315 0.000 0.822 295 I N 2.355 122.428 120.570 -0.827 0.000 2.307 295 I HA 0.344 4.514 4.170 -0.000 0.000 0.289 295 I C 0.404 176.458 176.117 -0.105 0.000 1.021 295 I CA -0.860 60.051 61.300 -0.647 0.000 1.224 295 I CB 0.918 38.470 38.000 -0.747 0.000 1.376 295 I HN -0.120 nan 8.210 nan 0.000 0.470 296 L N 3.898 125.082 121.223 -0.066 0.000 2.600 296 L HA 1.114 5.454 4.340 -0.000 0.000 0.257 296 L C -0.502 176.307 176.870 -0.102 0.000 1.048 296 L CA -0.506 54.263 54.840 -0.119 0.000 0.869 296 L CB 2.311 44.197 42.059 -0.287 0.000 1.482 296 L HN 0.632 nan 8.230 nan 0.000 0.408 297 G N -0.190 108.546 108.800 -0.108 0.000 2.348 297 G HA2 0.462 4.422 3.960 -0.000 0.000 0.296 297 G HA3 0.462 4.422 3.960 -0.000 0.000 0.296 297 G C -2.271 172.505 174.900 -0.206 0.000 1.258 297 G CA -0.722 44.413 45.100 0.058 0.000 0.868 297 G HN 0.529 nan 8.290 nan 0.000 0.488 298 F N 0.149 120.196 119.950 0.162 0.000 2.492 298 F HA 0.717 5.244 4.527 -0.000 0.000 0.327 298 F C 0.723 176.558 175.800 0.060 0.000 1.079 298 F CA -0.504 57.536 58.000 0.066 0.000 0.967 298 F CB 2.697 41.709 39.000 0.020 0.000 1.169 298 F HN 0.444 nan 8.300 nan 0.000 0.472 299 T N 2.659 117.328 114.554 0.192 0.000 2.888 299 T HA 0.521 4.871 4.350 -0.000 0.000 0.284 299 T C -0.699 174.130 174.700 0.216 0.000 1.017 299 T CA -0.669 61.523 62.100 0.153 0.000 1.022 299 T CB 0.483 69.364 68.868 0.021 0.000 1.013 299 T HN 0.566 nan 8.240 nan 0.000 0.465 300 N N 2.609 121.447 118.700 0.229 0.000 2.469 300 N HA 0.579 5.319 4.740 -0.000 0.000 0.286 300 N C -1.217 174.458 175.510 0.274 0.000 1.275 300 N CA -0.650 52.543 53.050 0.238 0.000 0.790 300 N CB 1.562 40.162 38.487 0.188 0.000 1.446 300 N HN 0.504 nan 8.380 nan 0.000 0.501 301 L N 0.905 122.295 121.223 0.279 0.000 2.334 301 L HA 0.627 4.967 4.340 -0.000 0.000 0.273 301 L C -0.385 176.634 176.870 0.249 0.000 1.013 301 L CA -0.784 54.270 54.840 0.357 0.000 0.816 301 L CB 1.635 43.989 42.059 0.492 0.000 1.278 301 L HN 0.321 nan 8.230 nan 0.000 0.431 302 I N 1.858 122.501 120.570 0.122 0.000 2.418 302 I HA 0.451 4.621 4.170 -0.000 0.000 0.287 302 I C -0.968 174.895 176.117 -0.423 0.000 1.008 302 I CA -0.143 61.005 61.300 -0.252 0.000 1.104 302 I CB 1.598 39.261 38.000 -0.562 0.000 1.264 302 I HN 0.344 nan 8.210 nan 0.000 0.438 303 F N 2.604 122.389 119.950 -0.275 0.000 2.664 303 F HA 0.495 5.022 4.527 0.001 0.000 0.329 303 F C 0.431 176.335 175.800 0.174 0.000 1.090 303 F CA -0.616 57.453 58.000 0.115 0.000 0.978 303 F CB 2.100 41.296 39.000 0.326 0.000 1.378 303 F HN 0.242 nan 8.300 nan 0.000 0.495 304 S N 0.185 116.273 115.700 0.647 0.000 2.617 304 S HA 0.161 4.631 4.470 -0.000 0.000 0.283 304 S C 0.671 175.372 174.600 0.168 0.000 1.189 304 S CA -0.415 57.966 58.200 0.300 0.000 1.036 304 S CB 1.494 64.563 63.200 -0.218 0.000 1.014 304 S HN 0.775 nan 8.310 nan 0.000 0.522 305 Q N 1.251 121.115 119.800 0.107 0.000 2.224 305 Q HA -0.007 4.333 4.340 -0.000 0.000 0.203 305 Q C -0.403 175.631 176.000 0.056 0.000 0.970 305 Q CA 0.906 56.757 55.803 0.080 0.000 0.865 305 Q CB 0.027 28.829 28.738 0.107 0.000 0.922 305 Q HN 0.770 nan 8.270 nan 0.000 0.445 306 c N -0.219 118.332 118.600 -0.082 0.000 2.626 306 c HA 0.563 5.133 4.570 -0.000 0.000 0.310 306 c C -1.314 172.557 174.090 -0.366 0.000 1.191 306 c CA -1.041 55.253 56.329 -0.059 0.000 1.517 306 c CB 0.788 43.305 42.510 0.012 0.000 2.102 306 c HN 0.278 nan 8.230 nan 0.000 0.479 307 Y N 0.183 120.519 120.300 0.061 0.000 2.391 307 Y HA 0.517 5.067 4.550 -0.000 0.000 0.341 307 Y C 0.943 176.851 175.900 0.013 0.000 0.965 307 Y CA -0.355 57.761 58.100 0.026 0.000 1.067 307 Y CB 1.723 40.195 38.460 0.019 0.000 1.199 307 Y HN 0.805 nan 8.280 nan 0.000 0.450 308 A N 2.201 125.084 122.820 0.106 0.000 1.940 308 A HA -0.178 4.142 4.320 -0.000 0.000 0.219 308 A C 1.000 178.633 177.584 0.082 0.000 1.176 308 A CA 1.263 53.346 52.037 0.075 0.000 0.631 308 A CB -0.334 18.694 19.000 0.046 0.000 0.814 308 A HN 0.715 nan 8.150 nan 0.000 0.446 309 N N -0.250 118.506 118.700 0.094 0.000 2.434 309 N HA 0.383 5.123 4.740 -0.000 0.000 0.272 309 N C 0.852 176.389 175.510 0.045 0.000 1.040 309 N CA 0.512 53.591 53.050 0.048 0.000 0.956 309 N CB 1.498 39.992 38.487 0.012 0.000 1.108 309 N HN 0.117 nan 8.380 nan 0.000 0.481 310 A N 3.336 126.175 122.820 0.032 0.000 1.929 310 A HA -0.079 4.241 4.320 -0.000 0.000 0.216 310 A C 1.959 179.548 177.584 0.008 0.000 1.176 310 A CA 1.493 53.548 52.037 0.030 0.000 0.628 310 A CB -0.568 18.448 19.000 0.027 0.000 0.816 310 A HN 0.760 nan 8.150 nan 0.000 0.444 311 T N 0.159 114.708 114.554 -0.009 0.000 2.684 311 T HA -0.196 4.154 4.350 -0.000 0.000 0.267 311 T C 2.082 176.746 174.700 -0.060 0.000 1.036 311 T CA 1.823 63.909 62.100 -0.024 0.000 1.148 311 T CB -0.266 68.587 68.868 -0.025 0.000 0.863 311 T HN 0.611 nan 8.240 nan 0.000 0.436 312 Q N 0.235 119.970 119.800 -0.108 0.000 2.084 312 Q HA -0.102 4.238 4.340 -0.000 0.000 0.202 312 Q C 2.675 178.530 176.000 -0.242 0.000 0.978 312 Q CA 1.558 57.217 55.803 -0.241 0.000 0.844 312 Q CB -0.467 28.060 28.738 -0.350 0.000 0.898 312 Q HN 0.457 nan 8.270 nan 0.000 0.426 313 T N 0.392 114.885 114.554 -0.101 0.000 2.620 313 T HA -0.240 4.110 4.350 -0.000 0.000 0.267 313 T C 1.768 176.460 174.700 -0.013 0.000 1.044 313 T CA 1.571 63.669 62.100 -0.002 0.000 1.161 313 T CB -0.835 68.090 68.868 0.094 0.000 0.862 313 T HN 0.608 nan 8.240 nan 0.000 0.438 314 G N 0.423 109.222 108.800 -0.002 0.000 2.442 314 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.219 314 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.219 314 G C 1.519 176.443 174.900 0.040 0.000 1.141 314 G CA 0.743 45.853 45.100 0.018 0.000 0.763 314 G HN 0.513 nan 8.290 nan 0.000 0.554 315 Q N -0.493 119.323 119.800 0.027 0.000 2.187 315 Q HA 0.056 4.396 4.340 -0.000 0.000 0.199 315 Q C 2.817 178.965 176.000 0.247 0.000 0.957 315 Q CA 0.673 56.545 55.803 0.116 0.000 0.857 315 Q CB 0.008 28.783 28.738 0.062 0.000 0.929 315 Q HN 0.381 nan 8.270 nan 0.000 0.453 316 V N 0.899 120.875 119.914 0.104 0.000 2.358 316 V HA -0.261 3.859 4.120 -0.000 0.000 0.246 316 V C 2.127 178.345 176.094 0.207 0.000 1.047 316 V CA 1.738 64.164 62.300 0.209 0.000 1.035 316 V CB -0.412 31.389 31.823 -0.037 0.000 0.658 316 V HN 0.293 nan 8.190 nan 0.000 0.452 317 R N 0.023 120.567 120.500 0.073 0.000 2.091 317 R HA -0.181 4.159 4.340 -0.000 0.000 0.238 317 R C 2.060 178.434 176.300 0.123 0.000 1.136 317 R CA 1.848 57.978 56.100 0.050 0.000 0.959 317 R CB -0.502 29.806 30.300 0.014 0.000 0.856 317 R HN 0.494 nan 8.270 nan 0.000 0.437 318 D N 0.107 120.585 120.400 0.129 0.000 2.178 318 D HA -0.166 4.474 4.640 -0.000 0.000 0.201 318 D C 1.515 177.885 176.300 0.118 0.000 0.980 318 D CA 0.877 54.943 54.000 0.110 0.000 0.842 318 D CB -0.220 40.645 40.800 0.108 0.000 0.948 318 D HN 0.090 nan 8.370 nan 0.000 0.472 319 F N 0.475 120.441 119.950 0.027 0.000 2.102 319 F HA -0.132 4.396 4.527 0.001 0.000 0.298 319 F C 1.992 177.754 175.800 -0.063 0.000 1.105 319 F CA 1.154 59.064 58.000 -0.149 0.000 1.239 319 F CB -0.691 38.093 39.000 -0.359 0.000 0.991 319 F HN -0.128 nan 8.300 nan 0.000 0.474 320 F N 0.307 120.054 119.950 -0.339 0.000 2.171 320 F HA -0.216 4.311 4.527 -0.001 0.000 0.300 320 F C 2.489 178.217 175.800 -0.120 0.000 1.090 320 F CA 1.793 59.638 58.000 -0.258 0.000 1.293 320 F CB -0.884 38.045 39.000 -0.118 0.000 1.013 320 F HN -0.107 nan 8.300 nan 0.000 0.486 321 T N -0.446 114.159 114.554 0.086 0.000 2.788 321 T HA -0.225 4.125 4.350 -0.000 0.000 0.268 321 T C 1.940 176.613 174.700 -0.044 0.000 1.044 321 T CA 1.415 63.542 62.100 0.045 0.000 1.139 321 T CB -0.184 68.709 68.868 0.041 0.000 0.867 321 T HN 0.191 nan 8.240 nan 0.000 0.454 322 K N -0.116 120.207 120.400 -0.129 0.000 2.007 322 K HA -0.134 4.186 4.320 -0.000 0.000 0.206 322 K C 2.309 178.735 176.600 -0.289 0.000 1.047 322 K CA 1.275 57.459 56.287 -0.170 0.000 0.937 322 K CB -0.175 32.242 32.500 -0.139 0.000 0.718 322 K HN 0.302 nan 8.250 nan 0.000 0.438 323 H N -1.017 117.622 119.070 -0.717 0.000 2.457 323 H HA -0.067 4.489 4.556 0.000 0.000 0.294 323 H C 0.268 175.003 175.328 -0.987 0.000 1.064 323 H CA 1.595 57.069 56.048 -0.958 0.000 1.330 323 H CB 0.199 28.998 29.762 -1.606 0.000 1.395 323 H HN 0.260 nan 8.280 nan 0.000 0.541 324 Y N -0.715 119.396 120.300 -0.316 0.000 2.681 324 Y HA 0.331 4.881 4.550 -0.001 0.000 0.267 324 Y C 1.296 177.139 175.900 -0.096 0.000 1.166 324 Y CA -0.136 57.854 58.100 -0.183 0.000 1.209 324 Y CB 0.352 38.757 38.460 -0.091 0.000 1.161 324 Y HN 0.156 nan 8.280 nan 0.000 0.534 325 G N 0.008 108.775 108.800 -0.055 0.000 2.442 325 G HA2 0.160 4.120 3.960 -0.000 0.000 0.249 325 G HA3 0.160 4.120 3.960 -0.000 0.000 0.249 325 G C 0.795 175.689 174.900 -0.010 0.000 1.263 325 G CA -0.106 44.981 45.100 -0.020 0.000 0.846 325 G HN 0.253 nan 8.290 nan 0.000 0.555 326 T N 0.845 115.407 114.554 0.012 0.000 2.746 326 T HA -0.034 4.316 4.350 -0.000 0.000 0.267 326 T C 1.552 176.251 174.700 -0.003 0.000 1.039 326 T CA 1.562 63.670 62.100 0.013 0.000 1.142 326 T CB -0.179 68.700 68.868 0.019 0.000 0.866 326 T HN 0.825 nan 8.240 nan 0.000 0.444 327 S N -0.992 114.702 115.700 -0.009 0.000 2.732 327 S HA 0.656 5.126 4.470 -0.000 0.000 0.293 327 S C -0.044 174.542 174.600 -0.023 0.000 1.159 327 S CA -0.404 57.787 58.200 -0.015 0.000 0.847 327 S CB 1.590 64.786 63.200 -0.007 0.000 1.169 327 S HN 0.954 nan 8.310 nan 0.000 0.501 328 A N 0.978 123.784 122.820 -0.023 0.000 2.610 328 A HA -0.122 4.198 4.320 -0.000 0.000 0.299 328 A C 0.159 177.717 177.584 -0.044 0.000 1.487 328 A CA 1.151 53.172 52.037 -0.026 0.000 0.743 328 A CB -2.868 16.121 19.000 -0.018 0.000 1.070 328 A HN 1.616 nan 8.150 nan 0.000 0.439 329 N N -1.008 117.659 118.700 -0.056 0.000 3.100 329 N HA 0.576 5.316 4.740 -0.000 0.000 0.344 329 N C 0.186 175.648 175.510 -0.080 0.000 1.413 329 N CA -0.644 52.350 53.050 -0.093 0.000 0.752 329 N CB 0.352 38.767 38.487 -0.120 0.000 1.519 329 N HN -0.009 nan 8.380 nan 0.000 0.620 330 N N -0.760 117.876 118.700 -0.106 0.000 2.235 330 N HA 0.088 4.828 4.740 -0.000 0.000 0.209 330 N C -0.395 175.084 175.510 -0.051 0.000 1.122 330 N CA 0.029 53.053 53.050 -0.044 0.000 0.845 330 N CB -0.003 38.514 38.487 0.049 0.000 1.004 330 N HN 0.472 nan 8.380 nan 0.000 0.499 331 D N 1.192 121.546 120.400 -0.076 0.000 2.144 331 D HA -0.075 4.565 4.640 -0.000 0.000 0.199 331 D C 1.847 178.130 176.300 -0.029 0.000 0.984 331 D CA 0.797 54.762 54.000 -0.057 0.000 0.834 331 D CB 0.034 40.800 40.800 -0.056 0.000 0.955 331 D HN 0.238 nan 8.370 nan 0.000 0.465 332 A N 0.905 123.709 122.820 -0.027 0.000 1.902 332 A HA -0.049 4.271 4.320 -0.000 0.000 0.217 332 A C 2.300 179.870 177.584 -0.023 0.000 1.181 332 A CA 2.175 54.197 52.037 -0.025 0.000 0.623 332 A CB -0.742 18.243 19.000 -0.025 0.000 0.818 332 A HN 0.235 nan 8.150 nan 0.000 0.443 333 A N -0.285 122.526 122.820 -0.014 0.000 1.969 333 A HA -0.029 4.291 4.320 -0.000 0.000 0.218 333 A C 2.097 179.685 177.584 0.007 0.000 1.169 333 A CA 1.413 53.445 52.037 -0.008 0.000 0.635 333 A CB -0.548 18.458 19.000 0.010 0.000 0.810 333 A HN 0.509 nan 8.150 nan 0.000 0.445 334 I N -0.629 119.959 120.570 0.030 0.000 2.202 334 I HA -0.234 3.936 4.170 -0.000 0.000 0.242 334 I C 2.494 178.645 176.117 0.055 0.000 1.091 334 I CA 1.491 62.848 61.300 0.094 0.000 1.368 334 I CB -0.430 37.609 38.000 0.066 0.000 1.058 334 I HN 0.408 nan 8.210 nan 0.000 0.410 335 E N 0.977 121.177 120.200 -0.000 0.000 2.077 335 E HA -0.219 4.131 4.350 -0.000 0.000 0.193 335 E C 2.282 178.828 176.600 -0.091 0.000 0.989 335 E CA 1.297 57.673 56.400 -0.040 0.000 0.800 335 E CB -0.196 29.483 29.700 -0.035 0.000 0.746 335 E HN 0.501 nan 8.360 nan 0.000 0.452 336 A N 1.251 124.021 122.820 -0.084 0.000 2.070 336 A HA -0.129 4.191 4.320 -0.000 0.000 0.220 336 A C 1.604 179.083 177.584 -0.174 0.000 1.159 336 A CA 0.985 52.956 52.037 -0.111 0.000 0.656 336 A CB -0.132 18.819 19.000 -0.083 0.000 0.800 336 A HN 0.136 nan 8.150 nan 0.000 0.453 337 N N -0.811 117.764 118.700 -0.208 0.000 2.279 337 N HA 0.314 5.054 4.740 -0.000 0.000 0.226 337 N C 0.530 175.570 175.510 -0.783 0.000 1.126 337 N CA 0.733 53.554 53.050 -0.382 0.000 0.846 337 N CB 0.530 38.889 38.487 -0.213 0.000 1.050 337 N HN 0.540 nan 8.380 nan 0.000 0.502 338 A N -0.182 122.327 122.820 -0.518 0.000 2.945 338 A HA -0.223 4.097 4.320 -0.000 0.000 0.251 338 A C -0.308 176.965 177.584 -0.519 0.000 1.355 338 A CA 0.850 52.581 52.037 -0.509 0.000 0.905 338 A CB -2.323 16.364 19.000 -0.521 0.000 1.104 338 A HN 0.256 nan 8.150 nan 0.000 0.733 339 F N -1.931 117.967 119.950 -0.085 0.000 2.572 339 F HA 0.692 5.219 4.527 -0.000 0.000 0.342 339 F C 0.579 176.337 175.800 -0.071 0.000 1.064 339 F CA -1.218 56.736 58.000 -0.078 0.000 1.008 339 F CB 1.404 40.363 39.000 -0.068 0.000 1.303 339 F HN -0.042 nan 8.300 nan 0.000 0.492 340 V N 2.627 122.639 119.914 0.162 0.000 2.370 340 V HA 0.369 4.489 4.120 -0.000 0.000 0.283 340 V C -2.292 173.832 176.094 0.050 0.000 1.023 340 V CA -2.079 60.255 62.300 0.058 0.000 0.857 340 V CB 1.376 33.204 31.823 0.008 0.000 0.985 340 V HN 0.464 nan 8.190 nan 0.000 0.443 341 P HA 0.056 nan 4.420 nan 0.000 0.268 341 P C -0.313 177.008 177.300 0.034 0.000 1.208 341 P CA -0.383 62.718 63.100 0.002 0.000 0.777 341 P CB 0.445 32.138 31.700 -0.012 0.000 0.875 342 L N 5.733 126.975 121.223 0.031 0.000 2.490 342 L HA 0.177 4.517 4.340 -0.000 0.000 0.274 342 L C -2.006 174.959 176.870 0.158 0.000 1.201 342 L CA -1.318 53.594 54.840 0.120 0.000 0.869 342 L CB -0.840 41.324 42.059 0.175 0.000 1.123 342 L HN 0.332 nan 8.230 nan 0.000 0.484 343 P HA 0.018 nan 4.420 nan 0.000 0.266 343 P C 0.567 178.020 177.300 0.255 0.000 1.193 343 P CA 0.235 63.481 63.100 0.242 0.000 0.770 343 P CB 0.421 32.325 31.700 0.341 0.000 0.836 344 S N 2.160 117.963 115.700 0.171 0.000 2.387 344 S HA -0.243 4.227 4.470 -0.000 0.000 0.230 344 S C 1.517 176.206 174.600 0.148 0.000 1.035 344 S CA 1.653 59.935 58.200 0.137 0.000 1.014 344 S CB -1.228 62.025 63.200 0.087 0.000 0.836 344 S HN 0.594 nan 8.310 nan 0.000 0.466 345 N N 0.838 119.625 118.700 0.144 0.000 2.244 345 N HA -0.135 4.605 4.740 -0.000 0.000 0.183 345 N C 1.372 176.912 175.510 0.049 0.000 1.016 345 N CA 1.364 54.450 53.050 0.061 0.000 0.866 345 N CB -1.199 37.284 38.487 -0.007 0.000 0.980 345 N HN 0.653 nan 8.380 nan 0.000 0.430 346 W N 1.441 122.802 121.300 0.101 0.000 2.379 346 W HA 0.130 4.790 4.660 0.000 0.000 0.307 346 W C 2.498 179.127 176.519 0.182 0.000 1.200 346 W CA 1.038 58.470 57.345 0.145 0.000 1.297 346 W CB -0.009 29.545 29.460 0.156 0.000 1.140 346 W HN 0.052 nan 8.180 nan 0.000 0.507 347 K N -0.236 120.405 120.400 0.402 0.000 2.063 347 K HA -0.173 4.147 4.320 -0.000 0.000 0.208 347 K C 2.179 178.913 176.600 0.222 0.000 1.048 347 K CA 1.590 58.089 56.287 0.353 0.000 0.928 347 K CB -0.636 32.010 32.500 0.242 0.000 0.713 347 K HN 0.129 nan 8.250 nan 0.000 0.442 348 A N 1.363 124.273 122.820 0.150 0.000 1.930 348 A HA -0.055 4.265 4.320 -0.000 0.000 0.217 348 A C 2.345 179.967 177.584 0.064 0.000 1.175 348 A CA 1.640 53.726 52.037 0.082 0.000 0.627 348 A CB -0.538 18.489 19.000 0.044 0.000 0.815 348 A HN 0.333 nan 8.150 nan 0.000 0.443 349 A N -0.438 122.425 122.820 0.072 0.000 1.902 349 A HA -0.004 4.316 4.320 -0.000 0.000 0.217 349 A C 2.221 179.948 177.584 0.240 0.000 1.181 349 A CA 1.768 53.865 52.037 0.100 0.000 0.623 349 A CB -0.945 18.040 19.000 -0.024 0.000 0.818 349 A HN 0.365 nan 8.150 nan 0.000 0.443 350 V N 0.214 120.259 119.914 0.219 0.000 2.287 350 V HA -0.297 3.823 4.120 -0.000 0.000 0.248 350 V C 2.675 178.754 176.094 -0.025 0.000 1.053 350 V CA 2.324 64.616 62.300 -0.013 0.000 1.027 350 V CB -0.845 30.750 31.823 -0.381 0.000 0.646 350 V HN 0.534 nan 8.190 nan 0.000 0.447 351 R N 0.162 120.674 120.500 0.020 0.000 2.073 351 R HA -0.130 4.210 4.340 -0.000 0.000 0.234 351 R C 2.444 178.727 176.300 -0.028 0.000 1.134 351 R CA 1.515 57.636 56.100 0.035 0.000 0.952 351 R CB -0.688 29.651 30.300 0.065 0.000 0.850 351 R HN 0.532 nan 8.270 nan 0.000 0.433 352 A N 0.483 123.281 122.820 -0.036 0.000 1.972 352 A HA -0.143 4.177 4.320 -0.000 0.000 0.219 352 A C 2.202 179.692 177.584 -0.157 0.000 1.169 352 A CA 1.728 53.724 52.037 -0.070 0.000 0.635 352 A CB -0.273 18.700 19.000 -0.045 0.000 0.810 352 A HN 0.216 nan 8.150 nan 0.000 0.446 353 S N -1.575 113.938 115.700 -0.312 0.000 2.371 353 S HA 0.109 4.579 4.470 -0.000 0.000 0.221 353 S C 1.307 175.496 174.600 -0.686 0.000 1.036 353 S CA 1.042 58.863 58.200 -0.631 0.000 0.965 353 S CB -0.318 62.182 63.200 -1.168 0.000 0.845 353 S HN 0.614 nan 8.310 nan 0.000 0.475 354 F N 0.068 119.920 119.950 -0.163 0.000 2.731 354 F HA 0.418 4.945 4.527 0.001 0.000 0.298 354 F C 1.532 177.186 175.800 -0.244 0.000 1.106 354 F CA -0.025 57.822 58.000 -0.255 0.000 1.329 354 F CB 0.214 38.976 39.000 -0.398 0.000 1.100 354 F HN 0.069 nan 8.300 nan 0.000 0.592 355 L N -1.145 120.058 121.223 -0.033 0.000 2.541 355 L HA 0.146 4.486 4.340 -0.000 0.000 0.187 355 L C 0.694 177.547 176.870 -0.029 0.000 1.098 355 L CA 0.264 55.088 54.840 -0.028 0.000 0.846 355 L CB -0.267 41.804 42.059 0.021 0.000 1.151 355 L HN -0.254 nan 8.230 nan 0.000 0.492 356 T N 1.699 116.233 114.554 -0.034 0.000 2.656 356 T HA -0.079 4.271 4.350 -0.000 0.000 0.263 356 T C 1.210 175.893 174.700 -0.029 0.000 1.017 356 T CA 0.486 62.569 62.100 -0.029 0.000 1.216 356 T CB 0.982 69.827 68.868 -0.038 0.000 0.989 356 T HN 0.380 nan 8.240 nan 0.000 0.507 357 A N 4.063 126.874 122.820 -0.015 0.000 1.940 357 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 357 A C 2.456 180.034 177.584 -0.010 0.000 1.176 357 A CA 1.886 53.918 52.037 -0.009 0.000 0.631 357 A CB -0.691 18.308 19.000 -0.001 0.000 0.814 357 A HN 0.873 nan 8.150 nan 0.000 0.446 358 S N -0.172 115.520 115.700 -0.013 0.000 2.481 358 S HA -0.046 4.424 4.470 -0.000 0.000 0.231 358 S C 0.866 175.455 174.600 -0.019 0.000 0.996 358 S CA 0.240 58.432 58.200 -0.013 0.000 0.942 358 S CB -0.547 62.645 63.200 -0.013 0.000 0.768 358 S HN 0.543 nan 8.310 nan 0.000 0.520 359 N N 1.706 120.387 118.700 -0.032 0.000 2.497 359 N HA 0.274 5.014 4.740 -0.000 0.000 0.268 359 N C 1.013 176.506 175.510 -0.028 0.000 1.171 359 N CA 0.604 53.627 53.050 -0.045 0.000 0.948 359 N CB 1.260 39.696 38.487 -0.086 0.000 1.069 359 N HN 0.281 nan 8.380 nan 0.000 0.460 360 A N 4.380 127.191 122.820 -0.016 0.000 2.178 360 A HA -0.051 4.269 4.320 -0.000 0.000 0.218 360 A C 1.928 179.526 177.584 0.022 0.000 1.157 360 A CA 0.882 52.923 52.037 0.007 0.000 0.689 360 A CB -0.199 18.810 19.000 0.014 0.000 0.787 360 A HN 0.763 nan 8.150 nan 0.000 0.465 361 L N 0.545 121.768 121.223 -0.000 0.000 2.591 361 L HA 0.048 4.388 4.340 -0.000 0.000 0.228 361 L C 1.121 178.039 176.870 0.079 0.000 1.133 361 L CA 0.149 55.016 54.840 0.045 0.000 0.880 361 L CB -0.176 41.855 42.059 -0.046 0.000 1.033 361 L HN 0.444 nan 8.230 nan 0.000 0.450 362 S N 0.174 115.884 115.700 0.016 0.000 2.576 362 S HA 0.336 4.806 4.470 -0.000 0.000 0.276 362 S C 0.083 174.701 174.600 0.030 0.000 1.339 362 S CA -0.677 57.531 58.200 0.014 0.000 1.039 362 S CB 0.873 64.059 63.200 -0.023 0.000 0.902 362 S HN 0.071 nan 8.310 nan 0.000 0.516 363 I N 2.447 123.007 120.570 -0.017 0.000 2.668 363 I HA 0.319 4.489 4.170 -0.000 0.000 0.285 363 I C 1.500 177.631 176.117 0.024 0.000 1.168 363 I CA 0.966 62.253 61.300 -0.022 0.000 1.424 363 I CB -0.307 37.593 38.000 -0.166 0.000 1.377 363 I HN 1.114 nan 8.210 nan 0.000 0.560 364 G N 4.246 113.089 108.800 0.071 0.000 2.143 364 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.248 364 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.248 364 G C 0.243 175.172 174.900 0.049 0.000 0.991 364 G CA 0.139 45.284 45.100 0.075 0.000 0.689 364 G HN 0.802 nan 8.290 nan 0.000 0.522 365 N N 0.410 119.135 118.700 0.042 0.000 2.411 365 N HA 0.279 5.019 4.740 -0.000 0.000 0.265 365 N C 1.825 177.355 175.510 0.034 0.000 1.266 365 N CA 1.093 54.162 53.050 0.031 0.000 0.889 365 N CB 0.410 38.915 38.487 0.030 0.000 1.069 365 N HN 0.173 nan 8.380 nan 0.000 0.476 366 T N 2.686 117.257 114.554 0.028 0.000 2.624 366 T HA -0.269 4.081 4.350 -0.000 0.000 0.268 366 T C 1.578 176.295 174.700 0.028 0.000 1.041 366 T CA 1.649 63.766 62.100 0.028 0.000 1.159 366 T CB -0.515 68.366 68.868 0.022 0.000 0.863 366 T HN 0.723 nan 8.240 nan 0.000 0.434 367 N N 0.435 119.150 118.700 0.024 0.000 2.039 367 N HA -0.133 4.607 4.740 -0.000 0.000 0.193 367 N C 1.918 177.445 175.510 0.029 0.000 1.044 367 N CA 1.623 54.687 53.050 0.023 0.000 0.847 367 N CB -0.151 38.347 38.487 0.019 0.000 1.030 367 N HN 0.202 nan 8.380 nan 0.000 0.422 368 V N 0.676 120.610 119.914 0.033 0.000 2.358 368 V HA -0.185 3.935 4.120 -0.000 0.000 0.246 368 V C 2.243 178.365 176.094 0.047 0.000 1.047 368 V CA 1.173 63.497 62.300 0.041 0.000 1.035 368 V CB -0.356 31.495 31.823 0.047 0.000 0.658 368 V HN 0.557 nan 8.190 nan 0.000 0.452 369 c N -0.221 118.408 118.600 0.049 0.000 2.618 369 c HA 0.189 4.759 4.570 -0.000 0.000 0.264 369 c C 1.324 175.445 174.090 0.051 0.000 1.334 369 c CA -0.853 55.509 56.329 0.055 0.000 1.731 369 c CB -1.841 40.706 42.510 0.062 0.000 1.852 369 c HN 0.630 nan 8.230 nan 0.000 0.566 370 N N 0.907 119.632 118.700 0.043 0.000 2.411 370 N HA 0.328 5.068 4.740 -0.000 0.000 0.265 370 N C 1.189 176.723 175.510 0.039 0.000 1.266 370 N CA 1.642 54.715 53.050 0.038 0.000 0.889 370 N CB 0.176 38.681 38.487 0.030 0.000 1.069 370 N HN 0.513 nan 8.380 nan 0.000 0.476 371 G N 1.866 110.691 108.800 0.041 0.000 2.184 371 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.264 371 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.264 371 G C -0.076 174.857 174.900 0.055 0.000 0.975 371 G CA 0.632 45.758 45.100 0.042 0.000 0.642 371 G HN 0.666 nan 8.290 nan 0.000 0.536 372 K N -0.859 119.580 120.400 0.064 0.000 2.466 372 K HA 0.739 5.059 4.320 -0.000 0.000 0.260 372 K C 0.104 176.756 176.600 0.087 0.000 1.011 372 K CA -0.298 56.042 56.287 0.088 0.000 0.871 372 K CB 2.307 34.856 32.500 0.081 0.000 1.404 372 K HN 1.372 nan 8.250 nan 0.000 0.450 373 G N 0.883 109.753 108.800 0.116 0.000 2.348 373 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.606 373 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.606 373 G C -1.456 173.348 174.900 -0.161 0.000 1.466 373 G CA -1.113 43.983 45.100 -0.007 0.000 0.950 373 G HN 0.427 nan 8.290 nan 0.000 0.657 374 R N 1.385 121.595 120.500 -0.483 0.000 2.679 374 R HA 0.280 4.620 4.340 -0.000 0.000 0.268 374 R C -1.897 174.150 176.300 -0.422 0.000 1.044 374 R CA -0.700 54.848 56.100 -0.920 0.000 1.105 374 R CB 0.392 30.209 30.300 -0.804 0.000 0.989 374 R HN 0.408 nan 8.270 nan 0.000 0.447 375 P HA -0.054 nan 4.420 nan 0.000 0.272 375 P C -0.737 176.598 177.300 0.058 0.000 1.223 375 P CA -0.099 62.923 63.100 -0.129 0.000 0.784 375 P CB 0.526 32.153 31.700 -0.121 0.000 0.923 376 Q N 0.000 119.859 119.800 0.099 0.000 2.315 376 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 376 Q CA 0.000 55.901 55.803 0.163 0.000 1.022 376 Q CB 0.000 28.764 28.738 0.043 0.000 1.108 376 Q HN 0.000 nan 8.270 nan 0.000 0.481