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 2de4_1_A DATA FIRST_RESID 20 DATA SEQUENCE DTLTYSNSPV PNALLTASES GFLDAAGIEL DVLSGQQGTV HFTYDQPAYT DATA SEQUENCE RFGGEIPPLL SEGLRAPGRT RLLGITPLLG RQGFFVRDDS PITAAADLAG DATA SEQUENCE RRIGVSASAI RILRGQLGDY LELDPWRQTL VALGSWEARA LLHTLEHGEL DATA SEQUENCE GVDDVELVPI SSPGVDVPAE QLEESATVKG ADLFPDVARG QAAVLASGDV DATA SEQUENCE DALYSWLPWA GELQATGARP VVDLGLDERN AYASVWTVSS GLVRQRPGLV DATA SEQUENCE QRLVDAAVDA GLWARDHSDA VTSLHAANLG VSTGAVGQGF GADFQQRLVP DATA SEQUENCE RLDHDALALL ERTQQFLLTN NLLQEPVALD QWAAPEFLNN SLNR 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 20 D HA 0.000 nan 4.640 nan 0.000 0.175 20 D C 0.000 176.313 176.300 0.021 0.000 2.045 20 D CA 0.000 54.009 54.000 0.016 0.000 0.868 20 D CB 0.000 40.808 40.800 0.014 0.000 0.688 21 T N 1.605 116.178 114.554 0.032 0.000 2.807 21 T HA 0.688 5.036 4.350 -0.003 0.000 0.279 21 T C -0.653 174.087 174.700 0.067 0.000 0.993 21 T CA -0.566 61.561 62.100 0.046 0.000 0.970 21 T CB 0.611 69.508 68.868 0.047 0.000 0.950 21 T HN 0.173 nan 8.240 nan 0.000 0.441 22 L N 2.824 124.100 121.223 0.088 0.000 2.381 22 L HA 0.604 4.942 4.340 -0.003 0.000 0.268 22 L C 0.752 177.748 176.870 0.210 0.000 0.997 22 L CA -1.179 53.740 54.840 0.131 0.000 0.818 22 L CB 2.236 44.362 42.059 0.113 0.000 1.310 22 L HN 0.675 nan 8.230 nan 0.000 0.416 23 T N -1.096 113.621 114.554 0.273 0.000 2.913 23 T HA 0.584 4.932 4.350 -0.003 0.000 0.287 23 T C -0.623 174.404 174.700 0.544 0.000 1.008 23 T CA -0.378 61.941 62.100 0.364 0.000 1.067 23 T CB 1.370 70.422 68.868 0.306 0.000 0.996 23 T HN 0.626 nan 8.240 nan 0.000 0.513 24 Y N -0.702 119.804 120.300 0.343 0.000 2.764 24 Y HA 0.703 5.251 4.550 -0.002 0.000 0.331 24 Y C -1.118 175.005 175.900 0.371 0.000 1.280 24 Y CA -0.783 57.491 58.100 0.290 0.000 1.065 24 Y CB 0.929 39.479 38.460 0.149 0.000 1.319 24 Y HN 1.179 nan 8.280 nan 0.000 0.453 25 S N 1.129 116.763 115.700 -0.110 0.000 2.611 25 S HA 0.589 5.057 4.470 -0.003 0.000 0.270 25 S C -2.349 172.384 174.600 0.221 0.000 1.131 25 S CA -0.751 57.349 58.200 -0.166 0.000 0.826 25 S CB 1.692 65.050 63.200 0.263 0.000 1.095 25 S HN 1.473 nan 8.310 nan 0.000 0.461 26 N N 0.253 119.091 118.700 0.230 0.000 2.331 26 N HA 0.468 5.206 4.740 -0.003 0.000 0.280 26 N C -1.026 174.681 175.510 0.328 0.000 1.155 26 N CA -0.675 52.569 53.050 0.323 0.000 0.822 26 N CB 1.886 40.507 38.487 0.224 0.000 1.619 26 N HN 0.589 nan 8.380 nan 0.000 0.476 27 S N 0.381 116.296 115.700 0.359 0.000 2.655 27 S HA 0.358 4.826 4.470 -0.003 0.000 0.265 27 S C -2.264 172.403 174.600 0.112 0.000 1.240 27 S CA -0.791 57.597 58.200 0.313 0.000 0.986 27 S CB 0.453 63.843 63.200 0.317 0.000 0.985 27 S HN 0.497 nan 8.310 nan 0.000 0.562 28 P HA 0.177 nan 4.420 nan 0.000 0.231 28 P C -0.914 176.261 177.300 -0.208 0.000 1.756 28 P CA 0.066 63.100 63.100 -0.110 0.000 0.990 28 P CB -0.467 31.027 31.700 -0.344 0.000 1.973 29 V N -2.648 117.130 119.914 -0.227 0.000 3.078 29 V HA 0.784 4.903 4.120 -0.003 0.000 0.311 29 V C -2.862 172.759 176.094 -0.789 0.000 1.138 29 V CA -3.262 58.661 62.300 -0.629 0.000 1.007 29 V CB 2.460 34.015 31.823 -0.446 0.000 1.045 29 V HN -0.115 nan 8.190 nan 0.000 0.432 30 P HA 0.268 nan 4.420 nan 0.000 0.271 30 P C -1.101 175.879 177.300 -0.533 0.000 1.220 30 P CA 0.381 62.913 63.100 -0.946 0.000 0.768 30 P CB 0.357 31.349 31.700 -1.180 0.000 0.848 31 N N 1.529 120.058 118.700 -0.285 0.000 2.598 31 N HA 0.223 4.962 4.740 -0.003 0.000 0.263 31 N C -0.054 175.168 175.510 -0.481 0.000 1.254 31 N CA -0.803 51.766 53.050 -0.801 0.000 0.863 31 N CB 1.224 38.877 38.487 -1.390 0.000 1.586 31 N HN 0.193 nan 8.380 nan 0.000 0.491 32 A N 0.696 123.190 122.820 -0.543 0.000 2.119 32 A HA -0.005 4.313 4.320 -0.003 0.000 0.216 32 A C 1.829 179.211 177.584 -0.336 0.000 1.152 32 A CA 0.598 52.461 52.037 -0.291 0.000 0.708 32 A CB -0.400 18.483 19.000 -0.196 0.000 0.805 32 A HN 0.567 nan 8.150 nan 0.000 0.460 33 L N -0.660 120.304 121.223 -0.432 0.000 2.005 33 L HA -0.056 4.282 4.340 -0.003 0.000 0.207 33 L C 2.194 178.929 176.870 -0.226 0.000 1.072 33 L CA 1.970 56.596 54.840 -0.358 0.000 0.744 33 L CB -0.618 41.278 42.059 -0.273 0.000 0.895 33 L HN 0.337 nan 8.230 nan 0.000 0.433 34 L N -0.887 120.224 121.223 -0.186 0.000 2.017 34 L HA -0.178 4.161 4.340 -0.003 0.000 0.208 34 L C 2.300 179.077 176.870 -0.155 0.000 1.073 34 L CA 2.518 57.270 54.840 -0.148 0.000 0.745 34 L CB -1.171 40.773 42.059 -0.192 0.000 0.894 34 L HN 0.364 nan 8.230 nan 0.000 0.432 35 T N 0.058 114.530 114.554 -0.136 0.000 2.684 35 T HA -0.187 4.162 4.350 -0.003 0.000 0.267 35 T C 1.905 176.596 174.700 -0.015 0.000 1.036 35 T CA 1.540 63.633 62.100 -0.011 0.000 1.148 35 T CB -0.666 68.257 68.868 0.092 0.000 0.863 35 T HN 0.541 nan 8.240 nan 0.000 0.436 36 A N 0.839 123.615 122.820 -0.073 0.000 1.933 36 A HA -0.069 4.249 4.320 -0.003 0.000 0.218 36 A C 2.558 180.126 177.584 -0.026 0.000 1.175 36 A CA 2.031 54.052 52.037 -0.026 0.000 0.628 36 A CB -0.915 18.040 19.000 -0.076 0.000 0.814 36 A HN 0.447 nan 8.150 nan 0.000 0.444 37 S N -0.716 114.921 115.700 -0.105 0.000 2.345 37 S HA -0.134 4.334 4.470 -0.003 0.000 0.220 37 S C 1.913 176.451 174.600 -0.103 0.000 1.031 37 S CA 1.415 59.531 58.200 -0.139 0.000 0.996 37 S CB -0.320 62.724 63.200 -0.260 0.000 0.882 37 S HN 0.541 nan 8.310 nan 0.000 0.445 38 E N 1.276 121.427 120.200 -0.081 0.000 2.208 38 E HA -0.025 4.323 4.350 -0.003 0.000 0.193 38 E C 2.175 178.733 176.600 -0.070 0.000 0.988 38 E CA 1.111 57.480 56.400 -0.052 0.000 0.828 38 E CB -0.415 29.272 29.700 -0.021 0.000 0.763 38 E HN 0.723 nan 8.360 nan 0.000 0.478 39 S N -1.156 114.480 115.700 -0.107 0.000 2.593 39 S HA 0.235 4.704 4.470 -0.003 0.000 0.217 39 S C 1.560 175.923 174.600 -0.395 0.000 0.966 39 S CA 0.578 58.611 58.200 -0.277 0.000 0.914 39 S CB 0.413 63.315 63.200 -0.496 0.000 0.776 39 S HN 0.266 nan 8.310 nan 0.000 0.523 40 G N 0.422 109.070 108.800 -0.254 0.000 2.176 40 G HA2 -0.287 3.671 3.960 -0.003 0.000 0.253 40 G HA3 -0.287 3.671 3.960 -0.003 0.000 0.253 40 G C 0.380 175.085 174.900 -0.324 0.000 0.979 40 G CA 0.224 45.151 45.100 -0.288 0.000 0.641 40 G HN 0.508 nan 8.290 nan 0.000 0.530 41 F N 0.482 120.275 119.950 -0.262 0.000 2.216 41 F HA 0.172 4.697 4.527 -0.003 0.000 0.300 41 F C 2.760 178.482 175.800 -0.130 0.000 1.085 41 F CA 1.773 59.648 58.000 -0.208 0.000 1.326 41 F CB -0.235 38.636 39.000 -0.215 0.000 1.027 41 F HN 0.266 nan 8.300 nan 0.000 0.497 42 L N -0.625 120.626 121.223 0.045 0.000 2.072 42 L HA -0.189 4.150 4.340 -0.003 0.000 0.205 42 L C 2.099 178.955 176.870 -0.023 0.000 1.079 42 L CA 1.503 56.349 54.840 0.010 0.000 0.752 42 L CB -0.632 41.411 42.059 -0.026 0.000 0.906 42 L HN 0.066 nan 8.230 nan 0.000 0.436 43 D N 0.314 120.678 120.400 -0.060 0.000 2.123 43 D HA -0.218 4.420 4.640 -0.003 0.000 0.196 43 D C 2.143 178.404 176.300 -0.064 0.000 0.992 43 D CA 1.451 55.411 54.000 -0.066 0.000 0.833 43 D CB 0.153 40.898 40.800 -0.091 0.000 0.954 43 D HN 0.256 nan 8.370 nan 0.000 0.455 44 A N 0.055 122.823 122.820 -0.087 0.000 2.019 44 A HA 0.114 4.433 4.320 -0.003 0.000 0.219 44 A C 2.162 179.729 177.584 -0.029 0.000 1.164 44 A CA 1.663 53.653 52.037 -0.078 0.000 0.644 44 A CB -0.648 18.276 19.000 -0.127 0.000 0.805 44 A HN 0.320 nan 8.150 nan 0.000 0.449 45 A N -1.513 121.304 122.820 -0.005 0.000 2.278 45 A HA 0.436 4.754 4.320 -0.003 0.000 0.212 45 A C 1.595 179.183 177.584 0.007 0.000 1.213 45 A CA 0.970 53.017 52.037 0.016 0.000 0.840 45 A CB -1.059 17.966 19.000 0.041 0.000 0.866 45 A HN 1.841 nan 8.150 nan 0.000 0.489 46 G N -0.566 108.230 108.800 -0.006 0.000 2.198 46 G HA2 -0.228 3.731 3.960 -0.003 0.000 0.257 46 G HA3 -0.228 3.731 3.960 -0.003 0.000 0.257 46 G C -0.071 174.827 174.900 -0.002 0.000 1.042 46 G CA 0.566 45.662 45.100 -0.006 0.000 0.791 46 G HN 0.523 nan 8.290 nan 0.000 0.502 47 I N 0.516 121.083 120.570 -0.005 0.000 2.509 47 I HA 0.509 4.677 4.170 -0.003 0.000 0.293 47 I C 0.005 176.112 176.117 -0.016 0.000 1.020 47 I CA -0.924 60.375 61.300 -0.002 0.000 1.088 47 I CB 1.835 39.839 38.000 0.006 0.000 1.267 47 I HN 0.340 nan 8.210 nan 0.000 0.430 48 E N 7.401 127.596 120.200 -0.009 0.000 2.248 48 E HA 0.622 4.971 4.350 -0.003 0.000 0.267 48 E C -1.710 174.887 176.600 -0.005 0.000 0.877 48 E CA -0.839 55.552 56.400 -0.015 0.000 0.759 48 E CB 2.643 32.343 29.700 -0.001 0.000 1.182 48 E HN 0.464 nan 8.360 nan 0.000 0.418 49 L N 2.103 123.302 121.223 -0.040 0.000 2.317 49 L HA 0.451 4.790 4.340 -0.003 0.000 0.281 49 L C -0.595 176.371 176.870 0.161 0.000 1.024 49 L CA -1.045 53.790 54.840 -0.008 0.000 0.810 49 L CB 1.433 43.248 42.059 -0.407 0.000 1.240 49 L HN 0.498 nan 8.230 nan 0.000 0.427 50 D N 2.497 123.074 120.400 0.295 0.000 2.414 50 D HA 0.200 4.838 4.640 -0.003 0.000 0.232 50 D C -0.301 176.201 176.300 0.337 0.000 1.070 50 D CA -0.189 53.971 54.000 0.266 0.000 0.839 50 D CB 2.590 43.483 40.800 0.155 0.000 1.079 50 D HN 0.083 nan 8.370 nan 0.000 0.521 51 V N 3.330 123.408 119.914 0.274 0.000 2.872 51 V HA 0.054 4.173 4.120 -0.003 0.000 0.307 51 V C 0.333 176.391 176.094 -0.059 0.000 1.072 51 V CA -0.188 62.050 62.300 -0.103 0.000 1.148 51 V CB 0.581 32.310 31.823 -0.158 0.000 0.954 51 V HN 0.416 nan 8.190 nan 0.000 0.490 52 L N 6.603 127.760 121.223 -0.109 0.000 2.455 52 L HA 0.209 4.548 4.340 -0.003 0.000 0.272 52 L C 0.889 177.697 176.870 -0.104 0.000 1.174 52 L CA 0.289 55.081 54.840 -0.080 0.000 0.869 52 L CB 0.977 42.986 42.059 -0.084 0.000 1.130 52 L HN 0.931 nan 8.230 nan 0.000 0.474 53 S N 1.636 117.279 115.700 -0.096 0.000 2.645 53 S HA 0.244 4.713 4.470 -0.003 0.000 0.266 53 S C 1.245 175.757 174.600 -0.146 0.000 1.258 53 S CA -0.294 57.844 58.200 -0.104 0.000 0.990 53 S CB 1.520 64.669 63.200 -0.084 0.000 0.967 53 S HN 0.757 nan 8.310 nan 0.000 0.556 54 G N 0.132 108.840 108.800 -0.154 0.000 2.432 54 G HA2 -0.162 3.797 3.960 -0.003 0.000 0.219 54 G HA3 -0.162 3.797 3.960 -0.003 0.000 0.219 54 G C 1.250 176.018 174.900 -0.220 0.000 1.135 54 G CA 0.530 45.510 45.100 -0.200 0.000 0.767 54 G HN 0.808 nan 8.290 nan 0.000 0.550 55 Q N -0.444 119.254 119.800 -0.171 0.000 2.369 55 Q HA 0.002 4.341 4.340 -0.003 0.000 0.206 55 Q C 1.747 177.643 176.000 -0.174 0.000 0.963 55 Q CA 0.739 56.444 55.803 -0.164 0.000 0.894 55 Q CB 0.116 28.783 28.738 -0.119 0.000 0.965 55 Q HN 0.556 nan 8.270 nan 0.000 0.475 56 Q N -1.057 118.639 119.800 -0.174 0.000 2.155 56 Q HA 0.144 4.482 4.340 -0.003 0.000 0.220 56 Q C 1.412 177.283 176.000 -0.215 0.000 0.819 56 Q CA -0.007 55.691 55.803 -0.175 0.000 1.032 56 Q CB 1.023 29.679 28.738 -0.138 0.000 1.151 56 Q HN 0.352 nan 8.270 nan 0.000 0.487 57 G N 1.381 110.024 108.800 -0.262 0.000 2.462 57 G HA2 -0.294 3.665 3.960 -0.003 0.000 0.220 57 G HA3 -0.294 3.665 3.960 -0.003 0.000 0.220 57 G C 1.602 176.326 174.900 -0.292 0.000 1.121 57 G CA 1.637 46.562 45.100 -0.292 0.000 0.758 57 G HN 0.457 nan 8.290 nan 0.000 0.559 58 T N -0.847 113.491 114.554 -0.359 0.000 2.977 58 T HA -0.072 4.276 4.350 -0.003 0.000 0.271 58 T C 2.157 176.844 174.700 -0.023 0.000 1.105 58 T CA 1.097 63.089 62.100 -0.179 0.000 1.116 58 T CB -0.258 68.519 68.868 -0.152 0.000 0.878 58 T HN 0.037 nan 8.240 nan 0.000 0.509 59 V N 1.395 121.210 119.914 -0.165 0.000 2.720 59 V HA -0.153 3.966 4.120 -0.003 0.000 0.256 59 V C 2.447 178.325 176.094 -0.359 0.000 1.082 59 V CA 1.879 63.985 62.300 -0.323 0.000 1.101 59 V CB -1.040 30.458 31.823 -0.541 0.000 0.693 59 V HN 0.669 nan 8.190 nan 0.000 0.479 60 H N -0.772 118.197 119.070 -0.168 0.000 2.489 60 H HA -0.122 4.432 4.556 -0.003 0.000 0.293 60 H C 1.673 177.134 175.328 0.220 0.000 1.066 60 H CA 1.675 57.775 56.048 0.086 0.000 1.305 60 H CB 0.089 29.949 29.762 0.164 0.000 1.386 60 H HN 0.385 nan 8.280 nan 0.000 0.551 61 F N -1.589 118.340 119.950 -0.035 0.000 2.712 61 F HA 0.137 4.663 4.527 -0.003 0.000 0.297 61 F C 2.357 178.114 175.800 -0.072 0.000 1.114 61 F CA 1.085 59.084 58.000 -0.002 0.000 1.305 61 F CB -0.367 38.742 39.000 0.181 0.000 1.086 61 F HN 0.308 nan 8.300 nan 0.000 0.599 62 T N -4.709 109.838 114.554 -0.011 0.000 3.015 62 T HA 0.015 4.364 4.350 -0.003 0.000 0.250 62 T C 0.663 175.440 174.700 0.129 0.000 1.057 62 T CA 0.400 62.558 62.100 0.097 0.000 1.066 62 T CB -0.524 68.402 68.868 0.096 0.000 0.959 62 T HN 0.161 nan 8.240 nan 0.000 0.488 63 Y N 0.736 121.140 120.300 0.173 0.000 4.604 63 Y HA -0.165 4.383 4.550 -0.003 0.000 0.230 63 Y C 0.400 176.378 175.900 0.130 0.000 1.066 63 Y CA 0.270 58.504 58.100 0.225 0.000 1.990 63 Y CB -2.669 35.962 38.460 0.285 0.000 1.619 63 Y HN 0.361 nan 8.280 nan 0.000 0.649 64 D N 1.916 122.357 120.400 0.068 0.000 2.801 64 D HA 0.201 4.840 4.640 -0.003 0.000 0.232 64 D C 0.034 176.344 176.300 0.016 0.000 1.128 64 D CA 0.609 54.644 54.000 0.059 0.000 1.003 64 D CB -0.155 40.664 40.800 0.033 0.000 1.110 64 D HN 0.482 nan 8.370 nan 0.000 0.477 65 Q N 0.519 120.359 119.800 0.065 0.000 2.377 65 Q HA 0.250 4.589 4.340 -0.003 0.000 0.279 65 Q C -1.887 174.194 176.000 0.135 0.000 1.049 65 Q CA -1.571 54.271 55.803 0.065 0.000 0.825 65 Q CB 2.635 31.382 28.738 0.015 0.000 1.401 65 Q HN 0.040 nan 8.270 nan 0.000 0.404 66 P HA -0.044 nan 4.420 nan 0.000 0.220 66 P C 0.056 177.424 177.300 0.114 0.000 1.152 66 P CA 0.850 64.010 63.100 0.100 0.000 0.812 66 P CB 0.458 32.199 31.700 0.069 0.000 0.792 67 A N -1.032 121.874 122.820 0.143 0.000 3.308 67 A HA 0.374 4.692 4.320 -0.003 0.000 0.275 67 A C -1.131 176.585 177.584 0.220 0.000 0.950 67 A CA -0.470 51.648 52.037 0.136 0.000 0.987 67 A CB -0.462 18.596 19.000 0.097 0.000 1.146 67 A HN 0.104 nan 8.150 nan 0.000 0.488 68 Y N 0.372 120.737 120.300 0.108 0.000 2.377 68 Y HA 0.719 5.267 4.550 -0.002 0.000 0.339 68 Y C -0.115 175.898 175.900 0.188 0.000 1.011 68 Y CA -0.500 57.694 58.100 0.156 0.000 1.093 68 Y CB 1.832 40.387 38.460 0.157 0.000 1.201 68 Y HN 0.228 nan 8.280 nan 0.000 0.455 69 T N 7.214 121.529 114.554 -0.398 0.000 2.886 69 T HA 0.550 4.899 4.350 -0.003 0.000 0.292 69 T C -1.640 172.862 174.700 -0.329 0.000 1.012 69 T CA -0.765 61.176 62.100 -0.265 0.000 0.982 69 T CB 0.673 69.596 68.868 0.092 0.000 1.018 69 T HN 0.882 nan 8.240 nan 0.000 0.451 70 R N 3.977 124.416 120.500 -0.102 0.000 2.686 70 R HA 0.637 4.976 4.340 -0.003 0.000 0.283 70 R C -1.937 174.592 176.300 0.381 0.000 0.978 70 R CA -0.794 55.391 56.100 0.143 0.000 0.897 70 R CB 1.552 31.964 30.300 0.185 0.000 1.192 70 R HN 0.664 nan 8.270 nan 0.000 0.457 71 F N 3.750 123.833 119.950 0.221 0.000 2.610 71 F HA 0.589 5.114 4.527 -0.003 0.000 0.355 71 F C -0.323 175.561 175.800 0.140 0.000 1.140 71 F CA -0.260 57.819 58.000 0.131 0.000 1.037 71 F CB 1.776 40.692 39.000 -0.141 0.000 1.287 71 F HN 0.789 nan 8.300 nan 0.000 0.457 72 G N 2.486 111.595 108.800 0.516 0.000 2.578 72 G HA2 0.409 4.368 3.960 -0.003 0.000 0.302 72 G HA3 0.409 4.368 3.960 -0.003 0.000 0.302 72 G C -0.620 174.473 174.900 0.321 0.000 1.243 72 G CA -0.261 45.059 45.100 0.366 0.000 0.843 72 G HN 0.760 nan 8.290 nan 0.000 0.486 73 G N -0.103 108.881 108.800 0.306 0.000 2.474 73 G HA2 0.372 4.330 3.960 -0.003 0.000 0.233 73 G HA3 0.372 4.330 3.960 -0.003 0.000 0.233 73 G C 0.922 176.007 174.900 0.308 0.000 1.278 73 G CA 0.814 46.106 45.100 0.320 0.000 0.861 73 G HN 0.738 nan 8.290 nan 0.000 0.567 74 E N 2.213 122.594 120.200 0.302 0.000 2.435 74 E HA -0.075 4.273 4.350 -0.003 0.000 0.195 74 E C 1.989 178.718 176.600 0.214 0.000 1.029 74 E CA 0.242 56.811 56.400 0.281 0.000 0.865 74 E CB -0.047 29.833 29.700 0.299 0.000 0.833 74 E HN 0.683 nan 8.360 nan 0.000 0.510 75 I N 1.584 122.255 120.570 0.168 0.000 2.179 75 I HA -0.158 4.011 4.170 -0.003 0.000 0.242 75 I C -0.477 175.620 176.117 -0.032 0.000 1.088 75 I CA 1.096 62.420 61.300 0.041 0.000 1.357 75 I CB -1.394 36.561 38.000 -0.074 0.000 1.051 75 I HN 0.098 nan 8.210 nan 0.000 0.409 76 P HA -0.116 nan 4.420 nan 0.000 0.215 76 P C -1.313 176.061 177.300 0.124 0.000 1.157 76 P CA 1.845 64.873 63.100 -0.121 0.000 0.868 76 P CB -1.161 30.421 31.700 -0.198 0.000 0.788 77 P HA -0.086 nan 4.420 nan 0.000 0.221 77 P C 1.626 178.825 177.300 -0.168 0.000 1.150 77 P CA 1.239 64.317 63.100 -0.037 0.000 0.800 77 P CB -0.347 31.387 31.700 0.058 0.000 0.787 78 L N -1.369 119.802 121.223 -0.086 0.000 2.093 78 L HA -0.141 4.198 4.340 -0.003 0.000 0.208 78 L C 2.588 179.357 176.870 -0.168 0.000 1.085 78 L CA 0.929 55.652 54.840 -0.194 0.000 0.755 78 L CB -0.891 41.144 42.059 -0.040 0.000 0.904 78 L HN -0.069 nan 8.230 nan 0.000 0.435 79 L N -0.959 120.214 121.223 -0.083 0.000 2.056 79 L HA -0.174 4.164 4.340 -0.003 0.000 0.207 79 L C 2.789 179.626 176.870 -0.056 0.000 1.078 79 L CA 1.556 56.362 54.840 -0.056 0.000 0.749 79 L CB -0.780 41.254 42.059 -0.041 0.000 0.901 79 L HN 0.137 nan 8.230 nan 0.000 0.433 80 S N -1.022 114.666 115.700 -0.019 0.000 2.356 80 S HA -0.175 4.293 4.470 -0.003 0.000 0.223 80 S C 1.956 176.504 174.600 -0.086 0.000 1.032 80 S CA 1.269 59.487 58.200 0.031 0.000 1.005 80 S CB -0.096 63.235 63.200 0.219 0.000 0.867 80 S HN 0.411 nan 8.310 nan 0.000 0.449 81 E N 0.048 120.100 120.200 -0.247 0.000 2.107 81 E HA 0.008 4.357 4.350 -0.003 0.000 0.191 81 E C 2.045 178.479 176.600 -0.276 0.000 0.982 81 E CA 1.072 57.255 56.400 -0.361 0.000 0.809 81 E CB -0.674 28.549 29.700 -0.795 0.000 0.756 81 E HN 0.607 nan 8.360 nan 0.000 0.459 82 G N -0.185 108.473 108.800 -0.237 0.000 2.887 82 G HA2 0.039 3.998 3.960 -0.003 0.000 0.211 82 G HA3 0.039 3.998 3.960 -0.003 0.000 0.211 82 G C 1.354 176.198 174.900 -0.093 0.000 1.152 82 G CA 0.028 45.032 45.100 -0.160 0.000 0.769 82 G HN 0.169 nan 8.290 nan 0.000 0.541 83 L N -1.421 119.756 121.223 -0.077 0.000 2.694 83 L HA 0.510 4.848 4.340 -0.003 0.000 0.228 83 L C 2.266 179.110 176.870 -0.043 0.000 1.048 83 L CA 0.669 55.480 54.840 -0.049 0.000 0.887 83 L CB 0.203 42.240 42.059 -0.037 0.000 1.265 83 L HN -0.013 nan 8.230 nan 0.000 0.492 84 R N -0.482 119.997 120.500 -0.035 0.000 2.194 84 R HA 0.565 4.904 4.340 -0.003 0.000 0.194 84 R C 0.230 176.529 176.300 -0.002 0.000 0.985 84 R CA 0.633 56.725 56.100 -0.013 0.000 1.104 84 R CB 0.501 30.806 30.300 0.009 0.000 1.092 84 R HN 0.170 nan 8.270 nan 0.000 0.555 85 A N 2.113 124.932 122.820 -0.002 0.000 3.156 85 A HA 0.395 4.714 4.320 -0.003 0.000 0.311 85 A C -2.673 174.900 177.584 -0.019 0.000 1.129 85 A CA -1.276 50.766 52.037 0.009 0.000 0.809 85 A CB 0.519 19.550 19.000 0.052 0.000 1.257 85 A HN -0.111 nan 8.150 nan 0.000 0.491 86 P HA 0.360 nan 4.420 nan 0.000 0.263 86 P C 1.169 178.447 177.300 -0.036 0.000 1.195 86 P CA 2.027 65.082 63.100 -0.076 0.000 0.762 86 P CB 0.924 32.583 31.700 -0.069 0.000 0.799 87 G N 3.315 112.093 108.800 -0.037 0.000 2.201 87 G HA2 -0.254 3.705 3.960 -0.003 0.000 0.212 87 G HA3 -0.254 3.705 3.960 -0.003 0.000 0.212 87 G C 1.283 176.216 174.900 0.054 0.000 0.994 87 G CA -0.248 44.863 45.100 0.018 0.000 0.644 87 G HN 0.468 nan 8.290 nan 0.000 0.508 88 R N 0.641 121.178 120.500 0.061 0.000 2.115 88 R HA 0.113 4.451 4.340 -0.003 0.000 0.230 88 R C 1.548 177.932 176.300 0.140 0.000 1.111 88 R CA 1.741 57.908 56.100 0.113 0.000 0.976 88 R CB -0.121 30.276 30.300 0.161 0.000 0.870 88 R HN 0.643 nan 8.270 nan 0.000 0.445 89 T N -1.861 112.779 114.554 0.144 0.000 2.901 89 T HA 0.557 4.906 4.350 -0.003 0.000 0.293 89 T C -0.597 174.276 174.700 0.288 0.000 1.084 89 T CA -1.139 61.074 62.100 0.188 0.000 1.008 89 T CB 2.664 71.633 68.868 0.168 0.000 1.170 89 T HN -0.191 nan 8.240 nan 0.000 0.509 90 R N 0.510 121.064 120.500 0.091 0.000 2.750 90 R HA 0.586 4.925 4.340 -0.003 0.000 0.281 90 R C -1.261 174.764 176.300 -0.459 0.000 0.972 90 R CA -1.098 54.962 56.100 -0.066 0.000 0.912 90 R CB 1.694 31.953 30.300 -0.069 0.000 1.187 90 R HN 0.717 nan 8.270 nan 0.000 0.464 91 L N 3.350 124.061 121.223 -0.853 0.000 2.260 91 L HA 0.301 4.640 4.340 -0.003 0.000 0.289 91 L C 0.448 176.976 176.870 -0.570 0.000 1.057 91 L CA 0.312 54.559 54.840 -0.988 0.000 0.811 91 L CB 0.567 41.765 42.059 -1.436 0.000 1.184 91 L HN 0.684 nan 8.230 nan 0.000 0.429 92 L N 4.632 125.513 121.223 -0.570 0.000 2.298 92 L HA 0.485 4.824 4.340 -0.003 0.000 0.209 92 L C 1.012 177.731 176.870 -0.252 0.000 1.084 92 L CA 0.475 55.024 54.840 -0.486 0.000 0.816 92 L CB -0.233 41.244 42.059 -0.970 0.000 0.967 92 L HN 0.809 nan 8.230 nan 0.000 0.460 93 G N -0.324 108.351 108.800 -0.207 0.000 2.451 93 G HA2 0.563 4.521 3.960 -0.003 0.000 0.292 93 G HA3 0.563 4.521 3.960 -0.003 0.000 0.292 93 G C -1.810 173.050 174.900 -0.067 0.000 1.427 93 G CA -0.514 44.562 45.100 -0.040 0.000 0.792 93 G HN -0.125 nan 8.290 nan 0.000 0.498 94 I N -0.077 120.527 120.570 0.057 0.000 2.730 94 I HA 0.593 4.762 4.170 -0.003 0.000 0.298 94 I C -0.641 175.614 176.117 0.230 0.000 1.089 94 I CA -0.772 60.601 61.300 0.122 0.000 1.041 94 I CB 2.979 41.023 38.000 0.072 0.000 1.235 94 I HN 0.370 nan 8.210 nan 0.000 0.423 95 T N 5.163 119.894 114.554 0.295 0.000 2.985 95 T HA 0.354 4.702 4.350 -0.003 0.000 0.315 95 T C -2.605 172.164 174.700 0.114 0.000 1.001 95 T CA -1.135 61.078 62.100 0.188 0.000 1.016 95 T CB 1.701 70.643 68.868 0.124 0.000 0.993 95 T HN 0.180 nan 8.240 nan 0.000 0.454 96 P HA 0.253 nan 4.420 nan 0.000 0.268 96 P C -1.021 176.297 177.300 0.030 0.000 1.208 96 P CA -0.606 62.541 63.100 0.077 0.000 0.777 96 P CB 0.515 32.255 31.700 0.067 0.000 0.875 97 L N 4.198 125.458 121.223 0.062 0.000 2.381 97 L HA 0.784 5.123 4.340 -0.003 0.000 0.274 97 L C -1.743 175.188 176.870 0.100 0.000 0.988 97 L CA -0.611 54.239 54.840 0.015 0.000 0.824 97 L CB 1.509 43.569 42.059 0.001 0.000 1.263 97 L HN 0.171 nan 8.230 nan 0.000 0.410 98 L N 4.733 126.000 121.223 0.073 0.000 2.705 98 L HA 0.910 5.249 4.340 -0.003 0.000 0.260 98 L C -0.632 176.296 176.870 0.098 0.000 0.921 98 L CA 0.745 55.653 54.840 0.113 0.000 0.948 98 L CB 1.693 43.804 42.059 0.087 0.000 1.427 98 L HN 0.832 nan 8.230 nan 0.000 0.432 99 G N 2.400 111.269 108.800 0.115 0.000 2.578 99 G HA2 0.399 4.358 3.960 -0.003 0.000 0.302 99 G HA3 0.399 4.358 3.960 -0.003 0.000 0.302 99 G C -1.562 173.393 174.900 0.092 0.000 1.243 99 G CA -1.089 44.059 45.100 0.081 0.000 0.843 99 G HN 0.607 nan 8.290 nan 0.000 0.486 100 R N 0.884 121.420 120.500 0.061 0.000 2.486 100 R HA 0.355 4.693 4.340 -0.003 0.000 0.303 100 R C -0.050 176.349 176.300 0.164 0.000 0.958 100 R CA 0.684 56.847 56.100 0.104 0.000 1.077 100 R CB -0.332 30.028 30.300 0.101 0.000 0.921 100 R HN 0.663 nan 8.270 nan 0.000 0.406 101 Q N 2.362 122.271 119.800 0.182 0.000 2.386 101 Q HA 0.548 4.887 4.340 -0.003 0.000 0.274 101 Q C -1.291 174.792 176.000 0.138 0.000 1.011 101 Q CA -0.192 55.731 55.803 0.201 0.000 0.867 101 Q CB 1.842 30.743 28.738 0.271 0.000 1.409 101 Q HN 0.870 nan 8.270 nan 0.000 0.395 102 G N 1.224 110.080 108.800 0.094 0.000 2.359 102 G HA2 0.193 4.151 3.960 -0.003 0.000 0.293 102 G HA3 0.193 4.151 3.960 -0.003 0.000 0.293 102 G C -2.057 172.876 174.900 0.054 0.000 1.300 102 G CA -0.972 44.193 45.100 0.108 0.000 0.888 102 G HN 0.333 nan 8.290 nan 0.000 0.541 103 F N 0.841 120.861 119.950 0.115 0.000 2.390 103 F HA 0.616 5.141 4.527 -0.003 0.000 0.361 103 F C 0.434 176.261 175.800 0.044 0.000 1.124 103 F CA -0.184 57.918 58.000 0.170 0.000 1.149 103 F CB 0.690 39.774 39.000 0.141 0.000 1.160 103 F HN 0.263 nan 8.300 nan 0.000 0.501 104 F N 3.224 123.220 119.950 0.077 0.000 2.375 104 F HA 0.568 5.093 4.527 -0.003 0.000 0.333 104 F C 0.297 176.148 175.800 0.086 0.000 1.104 104 F CA -0.618 57.416 58.000 0.057 0.000 1.149 104 F CB 1.177 40.176 39.000 -0.002 0.000 1.190 104 F HN 0.213 nan 8.300 nan 0.000 0.533 105 V N 0.212 120.253 119.914 0.212 0.000 3.102 105 V HA 0.625 4.743 4.120 -0.003 0.000 0.312 105 V C -0.417 175.759 176.094 0.137 0.000 1.135 105 V CA -1.569 60.821 62.300 0.150 0.000 1.022 105 V CB 1.795 33.673 31.823 0.092 0.000 1.056 105 V HN 0.696 nan 8.190 nan 0.000 0.436 106 R N 1.127 121.688 120.500 0.101 0.000 2.643 106 R HA 0.182 4.520 4.340 -0.003 0.000 0.270 106 R C 0.590 176.929 176.300 0.066 0.000 1.061 106 R CA -0.103 56.045 56.100 0.081 0.000 1.107 106 R CB 0.333 30.668 30.300 0.059 0.000 0.999 106 R HN 0.829 nan 8.270 nan 0.000 0.460 107 D N 1.771 122.207 120.400 0.060 0.000 2.149 107 D HA -0.172 4.467 4.640 -0.003 0.000 0.198 107 D C 0.950 177.269 176.300 0.033 0.000 0.990 107 D CA 1.641 55.667 54.000 0.044 0.000 0.839 107 D CB -0.123 40.700 40.800 0.039 0.000 0.948 107 D HN 0.612 nan 8.370 nan 0.000 0.460 108 D N -0.416 120.003 120.400 0.032 0.000 2.352 108 D HA -0.027 4.611 4.640 -0.003 0.000 0.232 108 D C 0.431 176.747 176.300 0.026 0.000 1.055 108 D CA -0.085 53.930 54.000 0.026 0.000 0.891 108 D CB -0.202 40.612 40.800 0.023 0.000 0.897 108 D HN -0.150 nan 8.370 nan 0.000 0.529 109 S N 1.016 116.734 115.700 0.031 0.000 2.565 109 S HA 0.203 4.672 4.470 -0.003 0.000 0.276 109 S C -1.298 173.317 174.600 0.024 0.000 1.326 109 S CA -1.208 57.010 58.200 0.031 0.000 1.045 109 S CB 1.020 64.244 63.200 0.041 0.000 0.918 109 S HN -0.001 nan 8.310 nan 0.000 0.505 110 P HA 0.111 nan 4.420 nan 0.000 0.242 110 P C -0.036 177.273 177.300 0.014 0.000 1.197 110 P CA 0.387 63.496 63.100 0.016 0.000 0.765 110 P CB -0.114 31.595 31.700 0.015 0.000 0.936 111 I N 1.478 122.059 120.570 0.018 0.000 2.363 111 I HA 0.036 4.205 4.170 -0.003 0.000 0.292 111 I C 1.506 177.628 176.117 0.009 0.000 1.075 111 I CA 0.259 61.568 61.300 0.016 0.000 1.333 111 I CB 0.805 38.819 38.000 0.025 0.000 1.415 111 I HN -0.041 nan 8.210 nan 0.000 0.502 112 T N 1.457 116.013 114.554 0.002 0.000 2.954 112 T HA 0.450 4.799 4.350 -0.003 0.000 0.252 112 T C 0.403 175.094 174.700 -0.015 0.000 0.983 112 T CA -0.111 61.984 62.100 -0.007 0.000 0.941 112 T CB 0.561 69.426 68.868 -0.005 0.000 1.141 112 T HN 0.503 nan 8.240 nan 0.000 0.500 113 A N 0.422 123.238 122.820 -0.007 0.000 2.423 113 A HA 0.936 5.255 4.320 -0.003 0.000 0.304 113 A C 1.507 179.091 177.584 0.001 0.000 1.104 113 A CA -0.304 51.729 52.037 -0.007 0.000 0.757 113 A CB 0.989 19.991 19.000 0.003 0.000 1.313 113 A HN 0.397 nan 8.150 nan 0.000 0.423 114 A N 0.685 123.509 122.820 0.008 0.000 1.948 114 A HA 0.102 4.420 4.320 -0.003 0.000 0.220 114 A C 2.253 179.850 177.584 0.022 0.000 1.177 114 A CA 2.665 54.717 52.037 0.025 0.000 0.636 114 A CB -1.049 17.999 19.000 0.079 0.000 0.815 114 A HN 1.923 nan 8.150 nan 0.000 0.449 115 A N -0.091 122.744 122.820 0.025 0.000 2.024 115 A HA -0.181 4.138 4.320 -0.003 0.000 0.220 115 A C 1.535 179.125 177.584 0.009 0.000 1.164 115 A CA 1.741 53.788 52.037 0.017 0.000 0.643 115 A CB -0.525 18.485 19.000 0.017 0.000 0.806 115 A HN 0.484 nan 8.150 nan 0.000 0.451 116 D N -0.220 120.185 120.400 0.008 0.000 2.378 116 D HA -0.020 4.619 4.640 -0.003 0.000 0.222 116 D C 1.443 177.746 176.300 0.005 0.000 0.980 116 D CA 0.522 54.526 54.000 0.007 0.000 0.907 116 D CB -0.112 40.693 40.800 0.008 0.000 0.899 116 D HN 0.491 nan 8.370 nan 0.000 0.527 117 L N 0.431 121.654 121.223 -0.001 0.000 2.554 117 L HA 0.120 4.459 4.340 -0.003 0.000 0.226 117 L C 1.071 177.932 176.870 -0.014 0.000 1.137 117 L CA -0.276 54.558 54.840 -0.010 0.000 0.863 117 L CB -0.167 41.873 42.059 -0.031 0.000 0.985 117 L HN -0.131 nan 8.230 nan 0.000 0.451 118 A N 0.405 123.220 122.820 -0.009 0.000 2.548 118 A HA 0.328 4.647 4.320 -0.003 0.000 0.247 118 A C 1.527 179.108 177.584 -0.006 0.000 1.067 118 A CA 0.700 52.732 52.037 -0.009 0.000 0.757 118 A CB -0.396 18.602 19.000 -0.004 0.000 0.996 118 A HN 0.586 nan 8.150 nan 0.000 0.504 119 G N 2.027 110.822 108.800 -0.008 0.000 2.196 119 G HA2 -0.262 3.696 3.960 -0.003 0.000 0.268 119 G HA3 -0.262 3.696 3.960 -0.003 0.000 0.268 119 G C 0.515 175.415 174.900 0.000 0.000 0.975 119 G CA 0.695 45.793 45.100 -0.003 0.000 0.648 119 G HN 0.832 nan 8.290 nan 0.000 0.538 120 R N -0.120 120.379 120.500 -0.001 0.000 2.583 120 R HA 0.522 4.861 4.340 -0.003 0.000 0.268 120 R C 0.716 177.022 176.300 0.010 0.000 1.101 120 R CA -0.792 55.313 56.100 0.008 0.000 1.180 120 R CB 0.195 30.502 30.300 0.012 0.000 1.128 120 R HN 0.372 nan 8.270 nan 0.000 0.568 121 R N 1.318 121.833 120.500 0.025 0.000 2.220 121 R HA 0.313 4.651 4.340 -0.003 0.000 0.340 121 R C -0.178 176.155 176.300 0.054 0.000 1.076 121 R CA -0.274 55.847 56.100 0.035 0.000 0.920 121 R CB 0.402 30.726 30.300 0.040 0.000 1.062 121 R HN 0.277 nan 8.270 nan 0.000 0.469 122 I N 2.832 123.429 120.570 0.045 0.000 2.297 122 I HA 0.184 4.353 4.170 -0.003 0.000 0.291 122 I C 1.035 177.232 176.117 0.134 0.000 1.033 122 I CA -0.443 60.905 61.300 0.081 0.000 1.253 122 I CB 0.966 38.950 38.000 -0.027 0.000 1.396 122 I HN 0.634 nan 8.210 nan 0.000 0.476 123 G N 6.563 115.478 108.800 0.193 0.000 2.358 123 G HA2 0.507 4.466 3.960 -0.003 0.000 0.273 123 G HA3 0.507 4.466 3.960 -0.003 0.000 0.273 123 G C -0.192 174.846 174.900 0.231 0.000 1.215 123 G CA -0.152 45.051 45.100 0.172 0.000 0.910 123 G HN 0.550 nan 8.290 nan 0.000 0.467 124 V N 0.019 120.035 119.914 0.171 0.000 3.049 124 V HA 0.801 4.919 4.120 -0.003 0.000 0.309 124 V C 0.273 176.433 176.094 0.110 0.000 1.148 124 V CA -0.812 61.592 62.300 0.173 0.000 0.990 124 V CB 1.210 33.137 31.823 0.173 0.000 1.039 124 V HN 1.046 nan 8.190 nan 0.000 0.430 125 S N 1.925 117.684 115.700 0.098 0.000 2.576 125 S HA 0.509 4.978 4.470 -0.003 0.000 0.272 125 S C 1.447 176.078 174.600 0.051 0.000 1.352 125 S CA 0.170 58.414 58.200 0.073 0.000 1.021 125 S CB 1.183 64.424 63.200 0.069 0.000 0.887 125 S HN 2.061 nan 8.310 nan 0.000 0.542 126 A N 2.020 124.867 122.820 0.045 0.000 1.972 126 A HA -0.028 4.290 4.320 -0.003 0.000 0.219 126 A C 2.372 179.967 177.584 0.018 0.000 1.169 126 A CA 1.813 53.870 52.037 0.034 0.000 0.635 126 A CB -1.470 17.553 19.000 0.039 0.000 0.810 126 A HN 0.832 nan 8.150 nan 0.000 0.446 127 S N -0.119 115.588 115.700 0.011 0.000 2.356 127 S HA -0.065 4.403 4.470 -0.003 0.000 0.223 127 S C 2.334 176.910 174.600 -0.039 0.000 1.032 127 S CA 1.250 59.438 58.200 -0.020 0.000 1.005 127 S CB -0.495 62.679 63.200 -0.044 0.000 0.867 127 S HN 0.816 nan 8.310 nan 0.000 0.449 128 A N 1.266 124.071 122.820 -0.025 0.000 1.933 128 A HA -0.027 4.291 4.320 -0.003 0.000 0.218 128 A C 2.054 179.634 177.584 -0.006 0.000 1.175 128 A CA 1.103 53.128 52.037 -0.020 0.000 0.628 128 A CB -0.706 18.300 19.000 0.010 0.000 0.814 128 A HN 0.494 nan 8.150 nan 0.000 0.444 129 I N -0.897 119.676 120.570 0.005 0.000 2.226 129 I HA -0.275 3.893 4.170 -0.003 0.000 0.245 129 I C 2.769 178.877 176.117 -0.015 0.000 1.100 129 I CA 1.237 62.539 61.300 0.003 0.000 1.374 129 I CB -0.348 37.660 38.000 0.014 0.000 1.057 129 I HN 0.316 nan 8.210 nan 0.000 0.413 130 R N 0.702 121.187 120.500 -0.024 0.000 2.083 130 R HA -0.150 4.188 4.340 -0.003 0.000 0.237 130 R C 2.319 178.578 176.300 -0.069 0.000 1.137 130 R CA 1.529 57.603 56.100 -0.042 0.000 0.951 130 R CB -0.427 29.844 30.300 -0.049 0.000 0.851 130 R HN 0.358 nan 8.270 nan 0.000 0.434 131 I N 0.881 121.403 120.570 -0.079 0.000 2.202 131 I HA -0.277 3.891 4.170 -0.003 0.000 0.242 131 I C 2.269 178.348 176.117 -0.063 0.000 1.091 131 I CA 1.266 62.510 61.300 -0.093 0.000 1.368 131 I CB -0.285 37.677 38.000 -0.063 0.000 1.058 131 I HN 0.123 nan 8.210 nan 0.000 0.410 132 L N 0.190 121.395 121.223 -0.031 0.000 2.191 132 L HA -0.164 4.174 4.340 -0.003 0.000 0.212 132 L C 2.528 179.379 176.870 -0.032 0.000 1.103 132 L CA 1.296 56.123 54.840 -0.021 0.000 0.769 132 L CB -0.449 41.604 42.059 -0.010 0.000 0.908 132 L HN 0.174 nan 8.230 nan 0.000 0.438 133 R N -0.324 120.155 120.500 -0.035 0.000 2.276 133 R HA 0.094 4.432 4.340 -0.003 0.000 0.196 133 R C 1.258 177.532 176.300 -0.045 0.000 0.961 133 R CA 0.586 56.666 56.100 -0.033 0.000 1.024 133 R CB 0.101 30.386 30.300 -0.025 0.000 0.940 133 R HN 0.407 nan 8.270 nan 0.000 0.480 134 G N 1.636 110.398 108.800 -0.064 0.000 2.176 134 G HA2 -0.300 3.658 3.960 -0.003 0.000 0.252 134 G HA3 -0.300 3.658 3.960 -0.003 0.000 0.252 134 G C -0.225 174.635 174.900 -0.067 0.000 1.024 134 G CA 0.074 45.127 45.100 -0.078 0.000 0.755 134 G HN 0.382 nan 8.290 nan 0.000 0.507 135 Q N -0.648 119.116 119.800 -0.060 0.000 2.771 135 Q HA 0.486 4.824 4.340 -0.003 0.000 0.247 135 Q C 1.384 177.357 176.000 -0.044 0.000 0.986 135 Q CA -0.652 55.125 55.803 -0.042 0.000 0.713 135 Q CB 0.867 29.590 28.738 -0.025 0.000 1.241 135 Q HN 0.361 nan 8.270 nan 0.000 0.488 136 L N 0.667 121.856 121.223 -0.056 0.000 2.478 136 L HA 0.027 4.366 4.340 -0.003 0.000 0.223 136 L C 1.317 178.208 176.870 0.034 0.000 1.140 136 L CA 0.776 55.585 54.840 -0.051 0.000 0.842 136 L CB -0.689 41.298 42.059 -0.119 0.000 0.953 136 L HN 0.907 nan 8.230 nan 0.000 0.452 137 G N 2.197 111.014 108.800 0.028 0.000 2.622 137 G HA2 -0.452 3.506 3.960 -0.003 0.000 0.307 137 G HA3 -0.452 3.506 3.960 -0.003 0.000 0.307 137 G C 0.412 175.353 174.900 0.069 0.000 1.226 137 G CA 0.631 45.756 45.100 0.043 0.000 0.997 137 G HN 0.562 nan 8.290 nan 0.000 0.551 138 D N 0.048 120.490 120.400 0.071 0.000 2.324 138 D HA 0.127 4.766 4.640 -0.003 0.000 0.235 138 D C 1.482 177.832 176.300 0.083 0.000 1.095 138 D CA 0.909 54.947 54.000 0.063 0.000 0.871 138 D CB -0.329 40.495 40.800 0.040 0.000 0.906 138 D HN 0.597 nan 8.370 nan 0.000 0.522 139 Y N 1.624 121.918 120.300 -0.010 0.000 2.029 139 Y HA -0.315 4.233 4.550 -0.003 0.000 0.269 139 Y C 1.682 177.575 175.900 -0.012 0.000 1.201 139 Y CA 1.933 60.023 58.100 -0.016 0.000 1.115 139 Y CB -0.448 37.995 38.460 -0.029 0.000 0.945 139 Y HN 0.082 nan 8.280 nan 0.000 0.497 140 L N -0.039 121.129 121.223 -0.091 0.000 2.456 140 L HA -0.148 4.190 4.340 -0.003 0.000 0.224 140 L C 1.819 178.605 176.870 -0.139 0.000 1.148 140 L CA 1.304 56.036 54.840 -0.181 0.000 0.825 140 L CB -0.423 41.620 42.059 -0.026 0.000 0.937 140 L HN 0.367 nan 8.230 nan 0.000 0.450 141 E N -0.435 119.712 120.200 -0.087 0.000 2.452 141 E HA 0.143 4.491 4.350 -0.003 0.000 0.197 141 E C 0.448 177.016 176.600 -0.054 0.000 1.022 141 E CA -0.242 56.127 56.400 -0.053 0.000 0.890 141 E CB 0.417 30.107 29.700 -0.017 0.000 0.918 141 E HN 0.389 nan 8.360 nan 0.000 0.496 142 L N 2.968 124.140 121.223 -0.085 0.000 2.452 142 L HA 0.043 4.382 4.340 -0.003 0.000 0.267 142 L C 0.792 177.639 176.870 -0.039 0.000 1.188 142 L CA -0.460 54.351 54.840 -0.049 0.000 0.821 142 L CB 0.243 42.273 42.059 -0.048 0.000 1.102 142 L HN 0.146 nan 8.230 nan 0.000 0.470 143 D N 1.353 121.766 120.400 0.022 0.000 2.361 143 D HA 0.047 4.685 4.640 -0.003 0.000 0.239 143 D C -2.106 174.243 176.300 0.081 0.000 1.200 143 D CA -1.463 52.570 54.000 0.054 0.000 0.915 143 D CB 0.576 41.430 40.800 0.090 0.000 1.170 143 D HN 0.214 nan 8.370 nan 0.000 0.444 144 P HA -0.181 nan 4.420 nan 0.000 0.216 144 P C 1.355 178.820 177.300 0.274 0.000 1.157 144 P CA 1.301 64.493 63.100 0.153 0.000 0.880 144 P CB -0.054 31.754 31.700 0.181 0.000 0.791 145 W N 0.641 122.045 121.300 0.172 0.000 2.353 145 W HA -0.151 4.508 4.660 -0.003 0.000 0.319 145 W C 2.016 178.691 176.519 0.260 0.000 1.207 145 W CA 1.453 58.963 57.345 0.275 0.000 1.291 145 W CB -0.496 29.032 29.460 0.113 0.000 1.159 145 W HN -0.132 nan 8.180 nan 0.000 0.478 146 R N 0.133 120.788 120.500 0.259 0.000 2.115 146 R HA -0.195 4.144 4.340 -0.003 0.000 0.230 146 R C 2.237 178.565 176.300 0.048 0.000 1.111 146 R CA 1.533 57.711 56.100 0.130 0.000 0.976 146 R CB -0.795 29.599 30.300 0.157 0.000 0.870 146 R HN 0.420 nan 8.270 nan 0.000 0.445 147 Q N 0.362 120.174 119.800 0.020 0.000 2.050 147 Q HA -0.125 4.213 4.340 -0.003 0.000 0.202 147 Q C 1.510 177.510 176.000 -0.001 0.000 0.980 147 Q CA 1.904 57.670 55.803 -0.061 0.000 0.840 147 Q CB 0.085 28.691 28.738 -0.220 0.000 0.898 147 Q HN 0.189 nan 8.270 nan 0.000 0.424 148 T N 1.536 116.037 114.554 -0.088 0.000 2.788 148 T HA -0.088 4.261 4.350 -0.003 0.000 0.268 148 T C 1.767 176.303 174.700 -0.273 0.000 1.044 148 T CA 0.992 62.935 62.100 -0.262 0.000 1.139 148 T CB -0.141 68.333 68.868 -0.656 0.000 0.867 148 T HN 0.258 nan 8.240 nan 0.000 0.454 149 L N 0.765 121.875 121.223 -0.187 0.000 2.131 149 L HA -0.086 4.252 4.340 -0.003 0.000 0.210 149 L C 2.562 179.372 176.870 -0.100 0.000 1.092 149 L CA 0.771 55.528 54.840 -0.137 0.000 0.759 149 L CB -0.676 41.333 42.059 -0.083 0.000 0.903 149 L HN 0.177 nan 8.230 nan 0.000 0.435 150 V N 0.045 119.947 119.914 -0.020 0.000 2.358 150 V HA -0.240 3.878 4.120 -0.003 0.000 0.246 150 V C 2.724 178.754 176.094 -0.107 0.000 1.047 150 V CA 1.743 64.041 62.300 -0.002 0.000 1.035 150 V CB -0.722 31.193 31.823 0.154 0.000 0.658 150 V HN 0.477 nan 8.190 nan 0.000 0.452 151 A N -0.334 122.430 122.820 -0.093 0.000 2.019 151 A HA -0.088 4.231 4.320 -0.003 0.000 0.219 151 A C 2.090 179.459 177.584 -0.358 0.000 1.164 151 A CA 1.295 53.220 52.037 -0.186 0.000 0.644 151 A CB -0.513 18.425 19.000 -0.104 0.000 0.805 151 A HN 0.527 nan 8.150 nan 0.000 0.449 152 L N -0.550 120.388 121.223 -0.474 0.000 2.549 152 L HA -0.066 4.272 4.340 -0.003 0.000 0.229 152 L C 2.385 178.758 176.870 -0.829 0.000 1.158 152 L CA 0.548 54.840 54.840 -0.914 0.000 0.842 152 L CB -0.563 41.013 42.059 -0.806 0.000 0.952 152 L HN 0.499 nan 8.230 nan 0.000 0.452 153 G N -1.052 107.498 108.800 -0.418 0.000 2.679 153 G HA2 -0.146 3.812 3.960 -0.003 0.000 0.212 153 G HA3 -0.146 3.812 3.960 -0.003 0.000 0.212 153 G C 1.617 176.356 174.900 -0.268 0.000 1.137 153 G CA 0.442 45.388 45.100 -0.258 0.000 0.787 153 G HN 0.310 nan 8.290 nan 0.000 0.534 154 S N 0.109 115.589 115.700 -0.366 0.000 2.382 154 S HA -0.104 4.364 4.470 -0.003 0.000 0.228 154 S C 1.978 176.333 174.600 -0.409 0.000 1.027 154 S CA 0.880 58.922 58.200 -0.262 0.000 0.991 154 S CB -0.231 62.846 63.200 -0.205 0.000 0.823 154 S HN 0.628 nan 8.310 nan 0.000 0.469 155 W N 1.887 122.905 121.300 -0.471 0.000 2.333 155 W HA -0.066 4.593 4.660 -0.002 0.000 0.316 155 W C 2.233 178.157 176.519 -0.992 0.000 1.215 155 W CA 0.660 57.552 57.345 -0.755 0.000 1.278 155 W CB -1.344 27.509 29.460 -1.012 0.000 1.154 155 W HN 0.466 nan 8.180 nan 0.000 0.486 156 E N 0.207 120.030 120.200 -0.629 0.000 2.072 156 E HA -0.115 4.233 4.350 -0.003 0.000 0.191 156 E C 2.427 178.928 176.600 -0.164 0.000 0.985 156 E CA 1.437 57.501 56.400 -0.561 0.000 0.801 156 E CB -0.467 29.133 29.700 -0.167 0.000 0.750 156 E HN 0.102 nan 8.360 nan 0.000 0.452 157 A N 1.517 124.258 122.820 -0.132 0.000 1.865 157 A HA -0.240 4.079 4.320 -0.003 0.000 0.217 157 A C 2.129 179.674 177.584 -0.065 0.000 1.191 157 A CA 1.770 53.796 52.037 -0.019 0.000 0.623 157 A CB -0.513 18.551 19.000 0.106 0.000 0.826 157 A HN 0.082 nan 8.150 nan 0.000 0.444 158 R N -0.650 119.682 120.500 -0.280 0.000 2.092 158 R HA -0.063 4.276 4.340 -0.003 0.000 0.231 158 R C 2.318 178.350 176.300 -0.447 0.000 1.119 158 R CA 1.277 57.094 56.100 -0.471 0.000 0.970 158 R CB -0.367 29.415 30.300 -0.864 0.000 0.864 158 R HN 0.472 nan 8.270 nan 0.000 0.440 159 A N 0.914 123.586 122.820 -0.248 0.000 1.902 159 A HA -0.166 4.152 4.320 -0.003 0.000 0.217 159 A C 1.979 179.697 177.584 0.223 0.000 1.181 159 A CA 1.109 53.164 52.037 0.030 0.000 0.623 159 A CB -0.509 18.520 19.000 0.049 0.000 0.818 159 A HN 0.357 nan 8.150 nan 0.000 0.443 160 L N -0.242 121.091 121.223 0.183 0.000 2.056 160 L HA -0.053 4.285 4.340 -0.003 0.000 0.207 160 L C 2.296 179.132 176.870 -0.057 0.000 1.078 160 L CA 1.529 56.299 54.840 -0.117 0.000 0.749 160 L CB -0.525 41.366 42.059 -0.281 0.000 0.901 160 L HN 0.405 nan 8.230 nan 0.000 0.433 161 L N -1.249 119.963 121.223 -0.018 0.000 2.012 161 L HA -0.282 4.056 4.340 -0.003 0.000 0.210 161 L C 2.543 179.504 176.870 0.153 0.000 1.073 161 L CA 1.767 56.632 54.840 0.041 0.000 0.748 161 L CB -0.885 41.208 42.059 0.056 0.000 0.891 161 L HN 0.424 nan 8.230 nan 0.000 0.431 162 H N -1.208 117.901 119.070 0.066 0.000 2.353 162 H HA -0.144 4.411 4.556 -0.003 0.000 0.300 162 H C 2.342 177.763 175.328 0.155 0.000 1.090 162 H CA 1.350 57.451 56.048 0.089 0.000 1.327 162 H CB 0.036 29.858 29.762 0.100 0.000 1.383 162 H HN 0.305 nan 8.280 nan 0.000 0.508 163 T N 1.256 115.979 114.554 0.281 0.000 2.674 163 T HA -0.134 4.215 4.350 -0.003 0.000 0.265 163 T C 2.188 176.986 174.700 0.164 0.000 1.039 163 T CA 0.955 63.191 62.100 0.226 0.000 1.150 163 T CB -0.310 68.647 68.868 0.149 0.000 0.864 163 T HN 0.207 nan 8.240 nan 0.000 0.427 164 L N 0.704 121.967 121.223 0.067 0.000 2.131 164 L HA -0.099 4.239 4.340 -0.003 0.000 0.210 164 L C 2.668 179.570 176.870 0.053 0.000 1.092 164 L CA 1.276 56.135 54.840 0.031 0.000 0.759 164 L CB -0.631 41.416 42.059 -0.020 0.000 0.903 164 L HN 0.365 nan 8.230 nan 0.000 0.435 165 E N -0.726 119.510 120.200 0.060 0.000 2.160 165 E HA -0.238 4.110 4.350 -0.003 0.000 0.195 165 E C 2.057 178.628 176.600 -0.048 0.000 0.991 165 E CA 0.885 57.281 56.400 -0.007 0.000 0.810 165 E CB -0.059 29.616 29.700 -0.042 0.000 0.742 165 E HN 0.548 nan 8.360 nan 0.000 0.466 166 H N -1.106 117.972 119.070 0.013 0.000 2.456 166 H HA -0.042 4.513 4.556 -0.003 0.000 0.296 166 H C 1.738 177.067 175.328 0.001 0.000 1.079 166 H CA 1.378 57.430 56.048 0.006 0.000 1.322 166 H CB 0.169 29.938 29.762 0.012 0.000 1.388 166 H HN 0.186 nan 8.280 nan 0.000 0.538 167 G N -0.260 108.602 108.800 0.103 0.000 3.502 167 G HA2 0.093 4.052 3.960 -0.003 0.000 0.267 167 G HA3 0.093 4.052 3.960 -0.003 0.000 0.267 167 G C -0.032 174.882 174.900 0.024 0.000 1.090 167 G CA -0.283 44.850 45.100 0.055 0.000 0.795 167 G HN 0.285 nan 8.290 nan 0.000 0.535 168 E N -0.670 119.537 120.200 0.011 0.000 2.360 168 E HA -0.171 4.177 4.350 -0.003 0.000 0.238 168 E C -0.231 176.368 176.600 -0.001 0.000 1.186 168 E CA 0.272 56.670 56.400 -0.002 0.000 0.719 168 E CB -1.397 28.301 29.700 -0.003 0.000 1.236 168 E HN 0.422 nan 8.360 nan 0.000 0.386 169 L N -0.740 120.484 121.223 0.002 0.000 2.303 169 L HA 0.802 5.140 4.340 -0.003 0.000 0.266 169 L C 0.882 177.748 176.870 -0.007 0.000 1.011 169 L CA -0.668 54.170 54.840 -0.004 0.000 0.818 169 L CB 1.853 43.907 42.059 -0.008 0.000 1.326 169 L HN 0.093 nan 8.230 nan 0.000 0.435 170 G N -0.490 108.302 108.800 -0.013 0.000 2.816 170 G HA2 0.476 4.435 3.960 -0.003 0.000 0.288 170 G HA3 0.476 4.435 3.960 -0.003 0.000 0.288 170 G C 0.511 175.396 174.900 -0.025 0.000 1.334 170 G CA -0.484 44.607 45.100 -0.014 0.000 0.978 170 G HN 0.303 nan 8.290 nan 0.000 0.493 171 V N 0.478 120.376 119.914 -0.027 0.000 2.594 171 V HA -0.105 4.013 4.120 -0.003 0.000 0.253 171 V C 2.057 178.133 176.094 -0.030 0.000 1.069 171 V CA 1.941 64.220 62.300 -0.036 0.000 1.082 171 V CB -0.349 31.456 31.823 -0.030 0.000 0.680 171 V HN 0.610 nan 8.190 nan 0.000 0.469 172 D N 0.040 120.427 120.400 -0.022 0.000 2.348 172 D HA -0.093 4.546 4.640 -0.003 0.000 0.216 172 D C 1.363 177.653 176.300 -0.017 0.000 0.970 172 D CA 0.773 54.762 54.000 -0.018 0.000 0.889 172 D CB -0.139 40.653 40.800 -0.014 0.000 0.912 172 D HN 0.486 nan 8.370 nan 0.000 0.524 173 D N 0.438 120.826 120.400 -0.020 0.000 2.339 173 D HA 0.009 4.647 4.640 -0.003 0.000 0.217 173 D C 0.956 177.243 176.300 -0.022 0.000 1.050 173 D CA 0.179 54.168 54.000 -0.018 0.000 0.856 173 D CB 1.116 41.906 40.800 -0.017 0.000 0.922 173 D HN 0.152 nan 8.370 nan 0.000 0.518 174 V N -2.509 117.388 119.914 -0.028 0.000 3.158 174 V HA 0.539 4.658 4.120 -0.003 0.000 0.311 174 V C -0.693 175.389 176.094 -0.020 0.000 1.181 174 V CA -0.967 61.315 62.300 -0.030 0.000 1.054 174 V CB 2.906 34.695 31.823 -0.056 0.000 1.085 174 V HN -0.318 nan 8.190 nan 0.000 0.446 175 E N 2.032 122.224 120.200 -0.012 0.000 2.113 175 E HA 0.499 4.847 4.350 -0.003 0.000 0.273 175 E C -1.050 175.553 176.600 0.005 0.000 0.924 175 E CA -0.271 56.129 56.400 -0.001 0.000 0.764 175 E CB 1.841 31.545 29.700 0.007 0.000 1.104 175 E HN 0.641 nan 8.360 nan 0.000 0.406 176 L N 3.034 124.261 121.223 0.007 0.000 2.278 176 L HA 0.318 4.656 4.340 -0.003 0.000 0.287 176 L C -0.194 176.695 176.870 0.031 0.000 1.072 176 L CA -0.773 54.078 54.840 0.019 0.000 0.819 176 L CB 0.810 42.877 42.059 0.013 0.000 1.176 176 L HN 0.099 nan 8.230 nan 0.000 0.435 177 V N 5.110 125.053 119.914 0.048 0.000 2.409 177 V HA 0.330 4.449 4.120 -0.003 0.000 0.291 177 V C -2.181 173.949 176.094 0.059 0.000 1.020 177 V CA -1.996 60.334 62.300 0.049 0.000 0.848 177 V CB 1.771 33.624 31.823 0.051 0.000 0.990 177 V HN 0.584 nan 8.190 nan 0.000 0.430 178 P HA 0.333 nan 4.420 nan 0.000 0.267 178 P C -0.494 176.840 177.300 0.057 0.000 1.205 178 P CA 0.351 63.483 63.100 0.053 0.000 0.765 178 P CB 0.379 32.105 31.700 0.043 0.000 0.828 179 I N -1.337 119.273 120.570 0.066 0.000 3.279 179 I HA 0.630 4.798 4.170 -0.003 0.000 0.315 179 I C -0.773 175.383 176.117 0.065 0.000 1.225 179 I CA -1.222 60.116 61.300 0.064 0.000 0.947 179 I CB 2.228 40.272 38.000 0.073 0.000 1.293 179 I HN 0.067 nan 8.210 nan 0.000 0.468 180 S N 1.445 117.178 115.700 0.056 0.000 2.499 180 S HA 0.537 5.005 4.470 -0.003 0.000 0.279 180 S C -0.484 174.152 174.600 0.060 0.000 1.219 180 S CA -0.238 57.997 58.200 0.058 0.000 1.062 180 S CB 0.682 63.908 63.200 0.045 0.000 0.978 180 S HN 0.692 nan 8.310 nan 0.000 0.489 181 S N 5.002 120.753 115.700 0.084 0.000 2.502 181 S HA 0.625 5.093 4.470 -0.003 0.000 0.304 181 S C -2.786 171.873 174.600 0.099 0.000 1.097 181 S CA -1.807 56.455 58.200 0.103 0.000 1.045 181 S CB 1.247 64.546 63.200 0.165 0.000 1.019 181 S HN 0.692 nan 8.310 nan 0.000 0.481 182 P HA 0.198 nan 4.420 nan 0.000 0.263 182 P C 0.868 178.186 177.300 0.029 0.000 1.195 182 P CA 0.988 63.971 63.100 -0.195 0.000 0.762 182 P CB 0.441 31.634 31.700 -0.845 0.000 0.799 183 G N 2.150 111.022 108.800 0.120 0.000 2.253 183 G HA2 -0.294 3.664 3.960 -0.003 0.000 0.251 183 G HA3 -0.294 3.664 3.960 -0.003 0.000 0.251 183 G C 0.681 175.848 174.900 0.446 0.000 0.998 183 G CA 0.268 45.588 45.100 0.366 0.000 0.621 183 G HN 0.409 nan 8.290 nan 0.000 0.524 184 V N 0.348 120.457 119.914 0.325 0.000 2.788 184 V HA 0.208 4.327 4.120 -0.003 0.000 0.241 184 V C 0.724 176.914 176.094 0.160 0.000 1.083 184 V CA 1.352 63.760 62.300 0.180 0.000 1.103 184 V CB 0.165 32.067 31.823 0.132 0.000 0.800 184 V HN 0.358 nan 8.190 nan 0.000 0.476 185 D N 1.628 122.137 120.400 0.182 0.000 2.467 185 D HA 0.379 5.018 4.640 -0.003 0.000 0.220 185 D C -0.924 175.508 176.300 0.221 0.000 1.103 185 D CA 0.361 54.460 54.000 0.166 0.000 0.886 185 D CB 1.857 42.731 40.800 0.123 0.000 1.025 185 D HN 0.117 nan 8.370 nan 0.000 0.514 186 V N 3.996 124.073 119.914 0.272 0.000 2.454 186 V HA 0.203 4.321 4.120 -0.003 0.000 0.267 186 V C -2.299 174.022 176.094 0.378 0.000 0.993 186 V CA -1.566 60.938 62.300 0.340 0.000 0.836 186 V CB 1.501 33.616 31.823 0.486 0.000 1.055 186 V HN 0.220 nan 8.190 nan 0.000 0.452 187 P HA 0.136 nan 4.420 nan 0.000 0.267 187 P C 1.046 178.408 177.300 0.102 0.000 1.200 187 P CA 0.228 63.431 63.100 0.170 0.000 0.772 187 P CB 0.991 32.745 31.700 0.090 0.000 0.855 188 A N 2.836 125.675 122.820 0.032 0.000 1.978 188 A HA -0.244 4.074 4.320 -0.003 0.000 0.220 188 A C 1.747 179.230 177.584 -0.169 0.000 1.170 188 A CA 1.823 53.751 52.037 -0.181 0.000 0.636 188 A CB -1.014 17.893 19.000 -0.155 0.000 0.810 188 A HN 0.596 nan 8.150 nan 0.000 0.448 189 E N -0.359 119.792 120.200 -0.083 0.000 2.106 189 E HA -0.204 4.145 4.350 -0.003 0.000 0.192 189 E C 2.085 178.634 176.600 -0.086 0.000 0.984 189 E CA 1.350 57.703 56.400 -0.079 0.000 0.806 189 E CB -0.359 29.315 29.700 -0.042 0.000 0.750 189 E HN 0.815 nan 8.360 nan 0.000 0.458 190 Q N 0.162 119.925 119.800 -0.061 0.000 2.079 190 Q HA -0.158 4.180 4.340 -0.003 0.000 0.200 190 Q C 2.123 178.051 176.000 -0.120 0.000 0.974 190 Q CA 1.032 56.797 55.803 -0.063 0.000 0.840 190 Q CB -0.076 28.654 28.738 -0.014 0.000 0.898 190 Q HN 0.316 nan 8.270 nan 0.000 0.430 191 L N 1.166 122.290 121.223 -0.165 0.000 1.994 191 L HA -0.172 4.167 4.340 -0.003 0.000 0.208 191 L C 1.859 178.572 176.870 -0.262 0.000 1.071 191 L CA 1.989 56.667 54.840 -0.269 0.000 0.745 191 L CB -0.375 41.382 42.059 -0.503 0.000 0.892 191 L HN 0.210 nan 8.230 nan 0.000 0.431 192 E N -0.598 119.450 120.200 -0.252 0.000 2.204 192 E HA -0.230 4.118 4.350 -0.003 0.000 0.195 192 E C 1.902 178.413 176.600 -0.149 0.000 0.990 192 E CA 1.375 57.652 56.400 -0.204 0.000 0.821 192 E CB -0.096 29.494 29.700 -0.183 0.000 0.750 192 E HN 0.661 nan 8.360 nan 0.000 0.477 193 E N 0.565 120.687 120.200 -0.130 0.000 2.385 193 E HA 0.019 4.368 4.350 -0.003 0.000 0.194 193 E C 0.603 177.141 176.600 -0.103 0.000 1.013 193 E CA -0.158 56.181 56.400 -0.101 0.000 0.866 193 E CB 0.380 30.032 29.700 -0.080 0.000 0.832 193 E HN -0.088 nan 8.360 nan 0.000 0.500 194 S N -0.032 115.591 115.700 -0.129 0.000 2.549 194 S HA 0.251 4.719 4.470 -0.003 0.000 0.279 194 S C 1.113 175.640 174.600 -0.121 0.000 1.321 194 S CA 0.078 58.199 58.200 -0.132 0.000 1.054 194 S CB 1.295 64.389 63.200 -0.176 0.000 0.899 194 S HN 0.249 nan 8.310 nan 0.000 0.497 195 A N 4.115 126.877 122.820 -0.097 0.000 1.883 195 A HA 0.114 4.433 4.320 -0.003 0.000 0.217 195 A C 1.335 178.864 177.584 -0.091 0.000 1.186 195 A CA 1.912 53.901 52.037 -0.080 0.000 0.624 195 A CB -1.005 17.960 19.000 -0.059 0.000 0.822 195 A HN 1.078 nan 8.150 nan 0.000 0.444 196 T N -5.673 108.818 114.554 -0.106 0.000 2.778 196 T HA 0.426 4.775 4.350 -0.003 0.000 0.293 196 T C 0.366 174.971 174.700 -0.160 0.000 1.144 196 T CA 0.139 62.168 62.100 -0.118 0.000 1.010 196 T CB 1.160 69.975 68.868 -0.088 0.000 1.325 196 T HN 0.770 nan 8.240 nan 0.000 0.515 197 V N -1.858 117.951 119.914 -0.175 0.000 3.633 197 V HA 0.380 4.499 4.120 -0.003 0.000 0.283 197 V C 0.608 176.600 176.094 -0.170 0.000 1.305 197 V CA -0.356 61.812 62.300 -0.220 0.000 1.153 197 V CB -1.585 30.082 31.823 -0.260 0.000 0.950 197 V HN 0.720 nan 8.190 nan 0.000 0.432 198 K N 1.339 121.672 120.400 -0.112 0.000 2.382 198 K HA 0.329 4.647 4.320 -0.003 0.000 0.275 198 K C 1.583 178.186 176.600 0.005 0.000 1.009 198 K CA 0.427 56.696 56.287 -0.030 0.000 0.970 198 K CB 1.043 33.538 32.500 -0.009 0.000 0.934 198 K HN 0.287 nan 8.250 nan 0.000 0.479 199 G N 1.906 110.789 108.800 0.138 0.000 2.469 199 G HA2 -0.331 3.627 3.960 -0.003 0.000 0.220 199 G HA3 -0.331 3.627 3.960 -0.003 0.000 0.220 199 G C 1.451 176.471 174.900 0.199 0.000 1.136 199 G CA 1.131 46.420 45.100 0.314 0.000 0.759 199 G HN 0.698 nan 8.290 nan 0.000 0.562 200 A N 0.584 123.472 122.820 0.114 0.000 1.978 200 A HA -0.055 4.264 4.320 -0.003 0.000 0.220 200 A C 2.071 179.666 177.584 0.019 0.000 1.170 200 A CA 2.149 54.230 52.037 0.073 0.000 0.636 200 A CB -0.197 18.833 19.000 0.050 0.000 0.810 200 A HN 0.330 nan 8.150 nan 0.000 0.448 201 D N -1.141 119.242 120.400 -0.029 0.000 2.269 201 D HA 0.022 4.661 4.640 -0.003 0.000 0.220 201 D C 1.770 177.980 176.300 -0.151 0.000 0.962 201 D CA 0.672 54.625 54.000 -0.078 0.000 0.884 201 D CB -0.277 40.470 40.800 -0.089 0.000 1.023 201 D HN 0.329 nan 8.370 nan 0.000 0.484 202 L N -0.325 120.732 121.223 -0.276 0.000 2.179 202 L HA 0.072 4.410 4.340 -0.003 0.000 0.208 202 L C 0.117 176.593 176.870 -0.656 0.000 1.096 202 L CA 1.198 55.705 54.840 -0.555 0.000 0.779 202 L CB 0.023 41.556 42.059 -0.876 0.000 0.922 202 L HN -0.174 nan 8.230 nan 0.000 0.443 203 F N 1.274 121.250 119.950 0.044 0.000 2.542 203 F HA 0.427 4.952 4.527 -0.003 0.000 0.323 203 F C -2.184 173.590 175.800 -0.043 0.000 1.411 203 F CA -2.946 55.044 58.000 -0.015 0.000 1.124 203 F CB -0.404 38.645 39.000 0.081 0.000 1.331 203 F HN -0.017 nan 8.300 nan 0.000 0.560 204 P HA 0.115 nan 4.420 nan 0.000 0.279 204 P C -0.241 177.049 177.300 -0.017 0.000 1.239 204 P CA 0.019 63.135 63.100 0.027 0.000 0.789 204 P CB 1.033 32.733 31.700 -0.001 0.000 0.933 205 D N 1.103 121.493 120.400 -0.016 0.000 2.740 205 D HA -0.122 4.516 4.640 -0.003 0.000 0.231 205 D C 1.243 177.474 176.300 -0.115 0.000 1.194 205 D CA 0.249 54.221 54.000 -0.047 0.000 0.673 205 D CB -1.307 39.472 40.800 -0.035 0.000 0.995 205 D HN 0.095 nan 8.370 nan 0.000 0.411 206 V N 0.568 120.351 119.914 -0.219 0.000 2.270 206 V HA -0.282 3.836 4.120 -0.003 0.000 0.245 206 V C 2.738 178.680 176.094 -0.255 0.000 1.043 206 V CA 2.450 64.512 62.300 -0.397 0.000 1.014 206 V CB -0.459 30.745 31.823 -1.031 0.000 0.645 206 V HN 0.597 nan 8.190 nan 0.000 0.447 207 A N -0.109 122.607 122.820 -0.173 0.000 1.940 207 A HA -0.295 4.023 4.320 -0.003 0.000 0.219 207 A C 2.395 179.919 177.584 -0.100 0.000 1.176 207 A CA 2.238 54.200 52.037 -0.125 0.000 0.631 207 A CB -0.635 18.314 19.000 -0.086 0.000 0.814 207 A HN 0.499 nan 8.150 nan 0.000 0.446 208 R N -0.713 119.739 120.500 -0.080 0.000 2.081 208 R HA -0.120 4.218 4.340 -0.003 0.000 0.235 208 R C 2.237 178.503 176.300 -0.057 0.000 1.131 208 R CA 1.572 57.638 56.100 -0.057 0.000 0.960 208 R CB -0.611 29.662 30.300 -0.044 0.000 0.856 208 R HN 0.476 nan 8.270 nan 0.000 0.436 209 G N -0.120 108.635 108.800 -0.075 0.000 2.403 209 G HA2 -0.236 3.722 3.960 -0.003 0.000 0.216 209 G HA3 -0.236 3.722 3.960 -0.003 0.000 0.216 209 G C 1.184 176.050 174.900 -0.058 0.000 1.154 209 G CA 0.280 45.342 45.100 -0.063 0.000 0.784 209 G HN 0.389 nan 8.290 nan 0.000 0.538 210 Q N 0.199 119.949 119.800 -0.083 0.000 2.119 210 Q HA 0.076 4.414 4.340 -0.003 0.000 0.201 210 Q C 2.973 178.947 176.000 -0.044 0.000 0.972 210 Q CA 1.013 56.774 55.803 -0.069 0.000 0.847 210 Q CB -0.207 28.463 28.738 -0.114 0.000 0.903 210 Q HN 0.463 nan 8.270 nan 0.000 0.433 211 A N 1.265 124.055 122.820 -0.050 0.000 1.933 211 A HA -0.101 4.217 4.320 -0.003 0.000 0.218 211 A C 2.292 179.871 177.584 -0.008 0.000 1.175 211 A CA 1.519 53.540 52.037 -0.026 0.000 0.628 211 A CB -0.615 18.366 19.000 -0.030 0.000 0.814 211 A HN 0.383 nan 8.150 nan 0.000 0.444 212 A N -0.566 122.247 122.820 -0.013 0.000 1.930 212 A HA 0.039 4.358 4.320 -0.003 0.000 0.217 212 A C 2.199 179.788 177.584 0.008 0.000 1.175 212 A CA 1.643 53.678 52.037 -0.003 0.000 0.627 212 A CB -0.828 18.168 19.000 -0.008 0.000 0.815 212 A HN 0.362 nan 8.150 nan 0.000 0.443 213 V N 0.186 120.105 119.914 0.008 0.000 2.343 213 V HA -0.244 3.875 4.120 -0.003 0.000 0.247 213 V C 2.465 178.580 176.094 0.035 0.000 1.051 213 V CA 1.901 64.215 62.300 0.024 0.000 1.036 213 V CB -0.723 31.117 31.823 0.029 0.000 0.654 213 V HN 0.574 nan 8.190 nan 0.000 0.451 214 L N -0.072 121.173 121.223 0.037 0.000 2.362 214 L HA -0.033 4.305 4.340 -0.003 0.000 0.219 214 L C 2.262 179.156 176.870 0.041 0.000 1.134 214 L CA 1.117 55.987 54.840 0.051 0.000 0.807 214 L CB -0.481 41.614 42.059 0.060 0.000 0.927 214 L HN 0.367 nan 8.230 nan 0.000 0.447 215 A N -0.877 121.961 122.820 0.029 0.000 2.308 215 A HA 0.013 4.332 4.320 -0.003 0.000 0.217 215 A C 2.264 179.861 177.584 0.022 0.000 1.216 215 A CA 0.655 52.706 52.037 0.024 0.000 0.864 215 A CB -0.159 18.851 19.000 0.017 0.000 0.902 215 A HN 0.400 nan 8.150 nan 0.000 0.499 216 S N -1.286 114.429 115.700 0.025 0.000 2.453 216 S HA 0.251 4.720 4.470 -0.003 0.000 0.231 216 S C 1.659 176.274 174.600 0.024 0.000 1.005 216 S CA 1.312 59.526 58.200 0.023 0.000 0.949 216 S CB -0.451 62.764 63.200 0.025 0.000 0.774 216 S HN 1.812 nan 8.310 nan 0.000 0.510 217 G N 0.993 109.810 108.800 0.028 0.000 2.179 217 G HA2 -0.219 3.739 3.960 -0.003 0.000 0.260 217 G HA3 -0.219 3.739 3.960 -0.003 0.000 0.260 217 G C 0.343 175.261 174.900 0.029 0.000 0.977 217 G CA 0.438 45.555 45.100 0.027 0.000 0.641 217 G HN 0.563 nan 8.290 nan 0.000 0.533 218 D N -0.491 119.929 120.400 0.033 0.000 2.398 218 D HA 0.354 4.992 4.640 -0.003 0.000 0.210 218 D C 0.683 177.008 176.300 0.043 0.000 1.094 218 D CA 0.481 54.501 54.000 0.034 0.000 0.839 218 D CB 1.294 42.112 40.800 0.031 0.000 0.963 218 D HN 0.348 nan 8.370 nan 0.000 0.506 219 V N 0.980 120.924 119.914 0.051 0.000 2.925 219 V HA 0.203 4.322 4.120 -0.003 0.000 0.311 219 V C 0.145 176.282 176.094 0.071 0.000 1.104 219 V CA -0.661 61.679 62.300 0.066 0.000 0.954 219 V CB 3.098 34.969 31.823 0.080 0.000 1.022 219 V HN -0.203 nan 8.190 nan 0.000 0.427 220 D N 1.622 122.070 120.400 0.081 0.000 2.380 220 D HA 0.440 5.079 4.640 -0.003 0.000 0.212 220 D C 0.386 176.756 176.300 0.117 0.000 1.021 220 D CA 1.048 55.096 54.000 0.081 0.000 0.884 220 D CB 1.527 42.364 40.800 0.062 0.000 1.001 220 D HN 0.685 nan 8.370 nan 0.000 0.506 221 A N 0.325 123.242 122.820 0.161 0.000 2.612 221 A HA 0.608 4.926 4.320 -0.003 0.000 0.293 221 A C -1.859 175.930 177.584 0.342 0.000 1.075 221 A CA -0.734 51.453 52.037 0.251 0.000 0.680 221 A CB 1.263 20.432 19.000 0.281 0.000 1.279 221 A HN 0.066 nan 8.150 nan 0.000 0.411 222 L N -1.714 119.721 121.223 0.353 0.000 2.479 222 L HA 0.810 5.148 4.340 -0.003 0.000 0.255 222 L C -0.835 176.005 176.870 -0.050 0.000 1.026 222 L CA -0.848 54.146 54.840 0.256 0.000 0.842 222 L CB 1.081 43.228 42.059 0.146 0.000 1.444 222 L HN 0.823 nan 8.230 nan 0.000 0.409 223 Y N 0.525 120.504 120.300 -0.535 0.000 2.316 223 Y HA 0.729 5.278 4.550 -0.003 0.000 0.331 223 Y C 0.047 175.825 175.900 -0.205 0.000 1.083 223 Y CA 0.499 58.134 58.100 -0.776 0.000 1.206 223 Y CB 1.261 39.169 38.460 -0.920 0.000 1.195 223 Y HN 0.916 nan 8.280 nan 0.000 0.497 224 S N 6.669 121.937 115.700 -0.721 0.000 2.564 224 S HA 0.790 5.258 4.470 -0.003 0.000 0.274 224 S C -1.706 172.668 174.600 -0.377 0.000 1.124 224 S CA -0.473 57.456 58.200 -0.453 0.000 0.869 224 S CB 0.806 63.725 63.200 -0.468 0.000 1.105 224 S HN 0.852 nan 8.310 nan 0.000 0.472 225 W N 3.039 124.059 121.300 -0.467 0.000 2.803 225 W HA 0.654 5.312 4.660 -0.003 0.000 0.424 225 W C -1.481 174.844 176.519 -0.324 0.000 1.092 225 W CA -1.175 55.966 57.345 -0.340 0.000 1.184 225 W CB -1.116 28.131 29.460 -0.355 0.000 1.470 225 W HN 0.906 nan 8.180 nan 0.000 0.598 226 L N -1.627 119.257 121.223 -0.564 0.000 3.233 226 L HA -0.277 4.061 4.340 -0.003 0.000 0.335 226 L C -1.610 174.845 176.870 -0.691 0.000 1.091 226 L CA 0.018 54.337 54.840 -0.868 0.000 1.236 226 L CB -1.720 39.380 42.059 -1.598 0.000 1.164 226 L HN 0.277 nan 8.230 nan 0.000 0.490 227 P HA -0.135 nan 4.420 nan 0.000 0.222 227 P C 1.196 178.315 177.300 -0.302 0.000 1.147 227 P CA 1.641 64.374 63.100 -0.612 0.000 0.790 227 P CB -0.035 31.262 31.700 -0.672 0.000 0.780 228 W N 0.254 121.359 121.300 -0.326 0.000 2.338 228 W HA -0.042 4.617 4.660 -0.001 0.000 0.304 228 W C 2.388 178.719 176.519 -0.313 0.000 1.212 228 W CA 0.977 58.158 57.345 -0.273 0.000 1.264 228 W CB -1.963 27.343 29.460 -0.256 0.000 1.142 228 W HN -0.002 nan 8.180 nan 0.000 0.512 229 A N 0.745 123.486 122.820 -0.132 0.000 1.972 229 A HA -0.024 4.294 4.320 -0.003 0.000 0.219 229 A C 2.436 179.873 177.584 -0.245 0.000 1.169 229 A CA 2.168 54.005 52.037 -0.334 0.000 0.635 229 A CB -1.332 17.573 19.000 -0.159 0.000 0.810 229 A HN 0.272 nan 8.150 nan 0.000 0.446 230 G N -0.373 108.334 108.800 -0.156 0.000 2.418 230 G HA2 -0.199 3.759 3.960 -0.003 0.000 0.217 230 G HA3 -0.199 3.759 3.960 -0.003 0.000 0.217 230 G C 1.429 176.273 174.900 -0.094 0.000 1.158 230 G CA 0.930 45.965 45.100 -0.107 0.000 0.771 230 G HN 0.656 nan 8.290 nan 0.000 0.545 231 E N -0.299 119.842 120.200 -0.099 0.000 2.152 231 E HA -0.027 4.321 4.350 -0.003 0.000 0.192 231 E C 2.378 178.921 176.600 -0.095 0.000 0.983 231 E CA 0.369 56.726 56.400 -0.072 0.000 0.818 231 E CB -0.098 29.577 29.700 -0.041 0.000 0.758 231 E HN 0.346 nan 8.360 nan 0.000 0.467 232 L N 1.514 122.634 121.223 -0.171 0.000 2.017 232 L HA -0.219 4.119 4.340 -0.003 0.000 0.208 232 L C 2.478 179.259 176.870 -0.149 0.000 1.073 232 L CA 1.900 56.605 54.840 -0.225 0.000 0.745 232 L CB -0.509 41.271 42.059 -0.464 0.000 0.894 232 L HN 0.007 nan 8.230 nan 0.000 0.432 233 Q N -0.381 119.345 119.800 -0.123 0.000 2.096 233 Q HA -0.207 4.131 4.340 -0.003 0.000 0.204 233 Q C 2.078 178.102 176.000 0.039 0.000 0.982 233 Q CA 2.193 58.040 55.803 0.073 0.000 0.850 233 Q CB -0.350 28.481 28.738 0.155 0.000 0.901 233 Q HN 0.631 nan 8.270 nan 0.000 0.422 234 A N -0.315 122.504 122.820 -0.002 0.000 2.070 234 A HA -0.138 4.181 4.320 -0.003 0.000 0.220 234 A C 2.108 179.691 177.584 -0.001 0.000 1.159 234 A CA 1.664 53.700 52.037 -0.002 0.000 0.656 234 A CB -0.892 18.099 19.000 -0.015 0.000 0.800 234 A HN 0.637 nan 8.150 nan 0.000 0.453 235 T N -4.164 110.386 114.554 -0.008 0.000 3.113 235 T HA 0.376 4.725 4.350 -0.003 0.000 0.256 235 T C 1.102 175.810 174.700 0.013 0.000 1.131 235 T CA 1.035 63.132 62.100 -0.004 0.000 1.074 235 T CB -0.129 68.729 68.868 -0.016 0.000 0.944 235 T HN 1.720 nan 8.240 nan 0.000 0.516 236 G N 0.233 109.051 108.800 0.029 0.000 2.618 236 G HA2 0.350 4.308 3.960 -0.003 0.000 0.180 236 G HA3 0.350 4.308 3.960 -0.003 0.000 0.180 236 G C -0.150 174.790 174.900 0.068 0.000 1.092 236 G CA -0.423 44.702 45.100 0.042 0.000 0.856 236 G HN 1.104 nan 8.290 nan 0.000 0.496 237 A N 0.153 123.038 122.820 0.109 0.000 2.527 237 A HA 1.079 5.397 4.320 -0.003 0.000 0.293 237 A C -0.085 177.669 177.584 0.284 0.000 1.117 237 A CA -0.213 51.938 52.037 0.191 0.000 0.723 237 A CB 1.506 20.634 19.000 0.213 0.000 1.313 237 A HN 1.631 nan 8.150 nan 0.000 0.411 238 R N 0.239 120.896 120.500 0.261 0.000 2.680 238 R HA 0.667 5.006 4.340 -0.003 0.000 0.269 238 R C -3.322 172.736 176.300 -0.404 0.000 1.026 238 R CA -1.757 54.356 56.100 0.021 0.000 0.889 238 R CB 2.136 32.427 30.300 -0.015 0.000 1.241 238 R HN 0.455 nan 8.270 nan 0.000 0.463 239 P HA 0.058 nan 4.420 nan 0.000 0.280 239 P C 0.735 177.826 177.300 -0.348 0.000 1.244 239 P CA -0.520 62.029 63.100 -0.917 0.000 0.784 239 P CB 1.702 32.816 31.700 -0.978 0.000 0.913 240 V N 3.022 122.823 119.914 -0.188 0.000 2.343 240 V HA -0.115 4.003 4.120 -0.003 0.000 0.247 240 V C 1.201 177.224 176.094 -0.119 0.000 1.051 240 V CA 1.599 63.844 62.300 -0.091 0.000 1.036 240 V CB -0.219 31.597 31.823 -0.012 0.000 0.654 240 V HN 0.376 nan 8.190 nan 0.000 0.451 241 V N 0.395 120.233 119.914 -0.126 0.000 2.569 241 V HA 0.344 4.462 4.120 -0.003 0.000 0.301 241 V C -0.998 175.021 176.094 -0.125 0.000 1.044 241 V CA -0.847 61.352 62.300 -0.169 0.000 0.874 241 V CB 1.849 33.539 31.823 -0.221 0.000 1.002 241 V HN 0.257 nan 8.190 nan 0.000 0.424 242 D N 4.246 124.571 120.400 -0.124 0.000 2.402 242 D HA 0.227 4.865 4.640 -0.003 0.000 0.235 242 D C 1.072 177.370 176.300 -0.004 0.000 1.226 242 D CA 0.026 53.982 54.000 -0.074 0.000 0.918 242 D CB 1.007 41.770 40.800 -0.062 0.000 1.043 242 D HN 0.490 nan 8.370 nan 0.000 0.506 243 L N 2.694 123.951 121.223 0.057 0.000 2.362 243 L HA 0.013 4.352 4.340 -0.003 0.000 0.219 243 L C 2.320 179.256 176.870 0.111 0.000 1.134 243 L CA 0.731 55.642 54.840 0.119 0.000 0.807 243 L CB -0.115 42.064 42.059 0.200 0.000 0.927 243 L HN 0.441 nan 8.230 nan 0.000 0.447 244 G N 0.112 108.969 108.800 0.095 0.000 2.559 244 G HA2 -0.119 3.840 3.960 -0.003 0.000 0.216 244 G HA3 -0.119 3.840 3.960 -0.003 0.000 0.216 244 G C 1.470 176.409 174.900 0.064 0.000 1.126 244 G CA 0.156 45.311 45.100 0.091 0.000 0.778 244 G HN 0.326 nan 8.290 nan 0.000 0.543 245 L N -0.242 121.010 121.223 0.049 0.000 2.591 245 L HA 0.239 4.577 4.340 -0.003 0.000 0.228 245 L C 0.229 177.123 176.870 0.040 0.000 1.133 245 L CA 0.079 54.941 54.840 0.036 0.000 0.880 245 L CB 0.243 42.314 42.059 0.020 0.000 1.033 245 L HN 0.045 nan 8.230 nan 0.000 0.450 246 D N 0.077 120.508 120.400 0.051 0.000 2.593 246 D HA 0.100 4.739 4.640 -0.003 0.000 0.251 246 D C 0.407 176.728 176.300 0.035 0.000 1.140 246 D CA -0.256 53.768 54.000 0.040 0.000 0.855 246 D CB 1.739 42.566 40.800 0.046 0.000 1.267 246 D HN 0.031 nan 8.370 nan 0.000 0.532 247 E N 1.628 121.841 120.200 0.022 0.000 2.401 247 E HA -0.166 4.183 4.350 -0.003 0.000 0.199 247 E C 1.592 178.191 176.600 -0.002 0.000 1.023 247 E CA 0.415 56.824 56.400 0.016 0.000 0.859 247 E CB 0.170 29.880 29.700 0.016 0.000 0.780 247 E HN 0.446 nan 8.360 nan 0.000 0.523 248 R N 0.449 120.943 120.500 -0.010 0.000 2.339 248 R HA 0.034 4.372 4.340 -0.003 0.000 0.199 248 R C 0.978 177.292 176.300 0.024 0.000 1.018 248 R CA 0.728 56.817 56.100 -0.018 0.000 1.036 248 R CB 0.014 30.256 30.300 -0.096 0.000 0.899 248 R HN 0.007 nan 8.270 nan 0.000 0.473 249 N N 0.621 119.332 118.700 0.018 0.000 2.203 249 N HA 0.144 4.882 4.740 -0.003 0.000 0.207 249 N C -0.273 175.147 175.510 -0.150 0.000 1.130 249 N CA 0.256 53.302 53.050 -0.007 0.000 0.861 249 N CB 1.258 39.825 38.487 0.134 0.000 1.005 249 N HN 0.279 nan 8.380 nan 0.000 0.507 250 A N 0.423 123.160 122.820 -0.139 0.000 2.304 250 A HA 0.553 4.872 4.320 -0.003 0.000 0.271 250 A C -0.822 176.582 177.584 -0.301 0.000 1.091 250 A CA 0.052 52.036 52.037 -0.088 0.000 0.812 250 A CB 0.405 19.406 19.000 0.002 0.000 1.056 250 A HN 0.149 nan 8.150 nan 0.000 0.489 251 Y N -1.288 119.099 120.300 0.145 0.000 2.602 251 Y HA 0.572 5.121 4.550 -0.003 0.000 0.342 251 Y C 0.385 176.368 175.900 0.139 0.000 1.029 251 Y CA -0.279 57.920 58.100 0.166 0.000 1.080 251 Y CB 2.227 40.831 38.460 0.240 0.000 1.284 251 Y HN 0.765 nan 8.280 nan 0.000 0.485 252 A N 1.478 124.494 122.820 0.327 0.000 2.316 252 A HA 0.567 4.885 4.320 -0.003 0.000 0.324 252 A C -0.636 177.099 177.584 0.253 0.000 1.375 252 A CA -0.583 51.594 52.037 0.234 0.000 0.882 252 A CB -0.185 18.928 19.000 0.188 0.000 1.152 252 A HN 0.609 nan 8.150 nan 0.000 0.512 253 S N 0.887 116.731 115.700 0.241 0.000 2.549 253 S HA 0.383 4.851 4.470 -0.003 0.000 0.283 253 S C 0.466 175.269 174.600 0.337 0.000 1.320 253 S CA -0.119 58.258 58.200 0.295 0.000 1.058 253 S CB 0.695 64.044 63.200 0.250 0.000 0.882 253 S HN 1.253 nan 8.310 nan 0.000 0.498 254 V N 1.010 121.080 119.914 0.261 0.000 2.628 254 V HA 0.699 4.817 4.120 -0.003 0.000 0.306 254 V C -1.104 174.875 176.094 -0.192 0.000 1.045 254 V CA -1.068 61.240 62.300 0.013 0.000 0.905 254 V CB 1.441 33.252 31.823 -0.020 0.000 0.997 254 V HN 0.887 nan 8.190 nan 0.000 0.436 255 W N 5.061 125.856 121.300 -0.843 0.000 2.294 255 W HA 0.775 5.433 4.660 -0.003 0.000 0.314 255 W C 0.039 176.230 176.519 -0.548 0.000 1.044 255 W CA -0.384 56.362 57.345 -0.997 0.000 1.284 255 W CB 1.072 29.633 29.460 -1.499 0.000 1.231 255 W HN 1.030 nan 8.180 nan 0.000 0.419 256 T N 2.542 116.991 114.554 -0.176 0.000 2.932 256 T HA 0.803 5.151 4.350 -0.003 0.000 0.289 256 T C -1.121 173.408 174.700 -0.286 0.000 1.039 256 T CA -0.884 61.047 62.100 -0.281 0.000 1.024 256 T CB 2.014 70.823 68.868 -0.100 0.000 1.090 256 T HN 0.410 nan 8.240 nan 0.000 0.496 257 V N 0.385 120.138 119.914 -0.268 0.000 3.087 257 V HA 0.568 4.686 4.120 -0.003 0.000 0.306 257 V C -0.369 175.690 176.094 -0.059 0.000 1.187 257 V CA -0.782 61.394 62.300 -0.206 0.000 0.999 257 V CB 2.517 34.118 31.823 -0.370 0.000 1.049 257 V HN 1.195 nan 8.190 nan 0.000 0.431 258 S N 3.062 118.781 115.700 0.031 0.000 2.546 258 S HA 0.046 4.514 4.470 -0.003 0.000 0.290 258 S C 1.395 176.015 174.600 0.033 0.000 1.290 258 S CA 0.460 58.716 58.200 0.093 0.000 1.069 258 S CB 1.193 64.468 63.200 0.124 0.000 0.846 258 S HN 0.883 nan 8.310 nan 0.000 0.495 259 S N 3.537 119.272 115.700 0.059 0.000 2.400 259 S HA -0.119 4.350 4.470 -0.003 0.000 0.232 259 S C 2.299 176.920 174.600 0.036 0.000 1.025 259 S CA 1.207 59.435 58.200 0.046 0.000 0.993 259 S CB -0.557 62.686 63.200 0.070 0.000 0.808 259 S HN 0.927 nan 8.310 nan 0.000 0.478 260 G N 1.560 110.386 108.800 0.043 0.000 2.442 260 G HA2 -0.140 3.818 3.960 -0.003 0.000 0.219 260 G HA3 -0.140 3.818 3.960 -0.003 0.000 0.219 260 G C 1.290 176.204 174.900 0.022 0.000 1.141 260 G CA 0.528 45.650 45.100 0.037 0.000 0.763 260 G HN 0.446 nan 8.290 nan 0.000 0.554 261 L N 0.089 121.313 121.223 0.002 0.000 2.093 261 L HA -0.062 4.276 4.340 -0.003 0.000 0.208 261 L C 2.967 179.812 176.870 -0.043 0.000 1.085 261 L CA 0.372 55.195 54.840 -0.029 0.000 0.755 261 L CB -0.407 41.612 42.059 -0.066 0.000 0.904 261 L HN 0.099 nan 8.230 nan 0.000 0.435 262 V N -0.087 119.802 119.914 -0.042 0.000 2.295 262 V HA -0.268 3.851 4.120 -0.003 0.000 0.246 262 V C 2.682 178.846 176.094 0.116 0.000 1.049 262 V CA 1.827 64.146 62.300 0.032 0.000 1.024 262 V CB -0.486 31.379 31.823 0.070 0.000 0.648 262 V HN 0.397 nan 8.190 nan 0.000 0.447 263 R N 0.121 120.663 120.500 0.070 0.000 2.073 263 R HA -0.076 4.263 4.340 -0.003 0.000 0.229 263 R C 2.170 178.501 176.300 0.052 0.000 1.120 263 R CA 1.663 57.800 56.100 0.062 0.000 0.967 263 R CB -0.335 29.992 30.300 0.046 0.000 0.862 263 R HN 0.612 nan 8.270 nan 0.000 0.436 264 Q N -0.921 118.904 119.800 0.040 0.000 2.297 264 Q HA 0.180 4.519 4.340 -0.003 0.000 0.203 264 Q C 0.191 176.210 176.000 0.032 0.000 0.931 264 Q CA 0.577 56.400 55.803 0.033 0.000 0.885 264 Q CB 0.588 29.342 28.738 0.027 0.000 0.991 264 Q HN -0.032 nan 8.270 nan 0.000 0.498 265 R N 0.855 121.372 120.500 0.028 0.000 2.886 265 R HA 0.188 4.527 4.340 -0.003 0.000 0.306 265 R C -2.175 174.142 176.300 0.029 0.000 1.300 265 R CA -1.463 54.650 56.100 0.021 0.000 1.441 265 R CB 0.529 30.829 30.300 0.001 0.000 1.328 265 R HN 0.156 nan 8.270 nan 0.000 0.629 266 P HA -0.141 nan 4.420 nan 0.000 0.218 266 P C 1.340 178.754 177.300 0.190 0.000 1.148 266 P CA 1.253 64.490 63.100 0.228 0.000 0.822 266 P CB 0.309 32.159 31.700 0.250 0.000 0.784 267 G N 0.646 109.506 108.800 0.100 0.000 2.418 267 G HA2 -0.236 3.722 3.960 -0.003 0.000 0.217 267 G HA3 -0.236 3.722 3.960 -0.003 0.000 0.217 267 G C 1.526 176.449 174.900 0.040 0.000 1.158 267 G CA 0.659 45.804 45.100 0.074 0.000 0.771 267 G HN 0.262 nan 8.290 nan 0.000 0.545 268 L N 0.928 122.154 121.223 0.005 0.000 2.056 268 L HA 0.034 4.373 4.340 -0.003 0.000 0.207 268 L C 2.845 179.664 176.870 -0.085 0.000 1.078 268 L CA 1.467 56.291 54.840 -0.026 0.000 0.749 268 L CB -0.619 41.422 42.059 -0.028 0.000 0.901 268 L HN 0.069 nan 8.230 nan 0.000 0.433 269 V N -0.322 119.479 119.914 -0.187 0.000 2.407 269 V HA -0.283 3.835 4.120 -0.003 0.000 0.248 269 V C 2.632 178.515 176.094 -0.353 0.000 1.055 269 V CA 1.774 63.804 62.300 -0.451 0.000 1.049 269 V CB -0.715 30.529 31.823 -0.965 0.000 0.662 269 V HN 0.562 nan 8.190 nan 0.000 0.455 270 Q N 0.370 120.134 119.800 -0.060 0.000 2.079 270 Q HA -0.148 4.191 4.340 -0.003 0.000 0.200 270 Q C 2.309 178.350 176.000 0.068 0.000 0.974 270 Q CA 1.711 57.603 55.803 0.148 0.000 0.840 270 Q CB -0.277 28.602 28.738 0.235 0.000 0.898 270 Q HN 0.518 nan 8.270 nan 0.000 0.430 271 R N -0.593 119.930 120.500 0.037 0.000 2.096 271 R HA -0.116 4.222 4.340 -0.003 0.000 0.235 271 R C 2.197 178.530 176.300 0.054 0.000 1.127 271 R CA 1.219 57.346 56.100 0.044 0.000 0.968 271 R CB -0.458 29.861 30.300 0.032 0.000 0.861 271 R HN 0.285 nan 8.270 nan 0.000 0.440 272 L N 0.616 121.855 121.223 0.026 0.000 2.017 272 L HA -0.142 4.197 4.340 -0.003 0.000 0.208 272 L C 2.030 179.030 176.870 0.216 0.000 1.073 272 L CA 1.641 56.535 54.840 0.090 0.000 0.745 272 L CB -0.322 41.746 42.059 0.016 0.000 0.894 272 L HN -0.110 nan 8.230 nan 0.000 0.432 273 V N -0.145 119.836 119.914 0.112 0.000 2.358 273 V HA -0.241 3.878 4.120 -0.003 0.000 0.246 273 V C 2.261 178.473 176.094 0.197 0.000 1.047 273 V CA 1.785 64.216 62.300 0.219 0.000 1.035 273 V CB -0.871 30.984 31.823 0.054 0.000 0.658 273 V HN 0.439 nan 8.190 nan 0.000 0.452 274 D N 0.689 121.165 120.400 0.126 0.000 2.117 274 D HA -0.135 4.504 4.640 -0.003 0.000 0.197 274 D C 2.232 178.573 176.300 0.069 0.000 0.987 274 D CA 1.696 55.752 54.000 0.093 0.000 0.829 274 D CB -0.294 40.555 40.800 0.081 0.000 0.961 274 D HN 0.445 nan 8.370 nan 0.000 0.460 275 A N 0.875 123.747 122.820 0.085 0.000 1.930 275 A HA -0.005 4.313 4.320 -0.003 0.000 0.217 275 A C 2.291 179.840 177.584 -0.059 0.000 1.175 275 A CA 2.031 54.103 52.037 0.058 0.000 0.627 275 A CB -0.568 18.493 19.000 0.103 0.000 0.815 275 A HN 0.235 nan 8.150 nan 0.000 0.443 276 A N -0.667 122.166 122.820 0.022 0.000 1.930 276 A HA 0.071 4.390 4.320 -0.003 0.000 0.217 276 A C 2.193 179.725 177.584 -0.087 0.000 1.175 276 A CA 1.606 53.601 52.037 -0.070 0.000 0.627 276 A CB -0.737 18.224 19.000 -0.065 0.000 0.815 276 A HN 0.341 nan 8.150 nan 0.000 0.443 277 V N 0.606 120.516 119.914 -0.007 0.000 2.358 277 V HA -0.208 3.911 4.120 -0.003 0.000 0.246 277 V C 2.105 178.130 176.094 -0.114 0.000 1.047 277 V CA 2.207 64.498 62.300 -0.015 0.000 1.035 277 V CB -0.729 31.119 31.823 0.042 0.000 0.658 277 V HN 0.485 nan 8.190 nan 0.000 0.452 278 D N 0.552 120.836 120.400 -0.194 0.000 2.117 278 D HA -0.112 4.526 4.640 -0.003 0.000 0.197 278 D C 2.224 178.075 176.300 -0.749 0.000 0.987 278 D CA 1.617 55.420 54.000 -0.329 0.000 0.829 278 D CB -0.299 40.361 40.800 -0.234 0.000 0.961 278 D HN 0.437 nan 8.370 nan 0.000 0.460 279 A N 0.794 122.996 122.820 -1.030 0.000 1.933 279 A HA -0.020 4.299 4.320 -0.003 0.000 0.218 279 A C 2.381 179.830 177.584 -0.226 0.000 1.175 279 A CA 2.008 53.466 52.037 -0.966 0.000 0.628 279 A CB -1.022 17.634 19.000 -0.573 0.000 0.814 279 A HN 0.304 nan 8.150 nan 0.000 0.444 280 G N -0.332 108.367 108.800 -0.169 0.000 2.408 280 G HA2 -0.116 3.842 3.960 -0.003 0.000 0.217 280 G HA3 -0.116 3.842 3.960 -0.003 0.000 0.217 280 G C 1.538 176.426 174.900 -0.019 0.000 1.150 280 G CA 0.991 46.059 45.100 -0.054 0.000 0.776 280 G HN 0.432 nan 8.290 nan 0.000 0.542 281 L N -1.393 119.815 121.223 -0.026 0.000 2.072 281 L HA 0.051 4.390 4.340 -0.003 0.000 0.205 281 L C 2.576 179.501 176.870 0.090 0.000 1.079 281 L CA 0.959 55.812 54.840 0.022 0.000 0.752 281 L CB -0.365 41.711 42.059 0.027 0.000 0.906 281 L HN 0.449 nan 8.230 nan 0.000 0.436 282 W N 1.108 122.355 121.300 -0.089 0.000 2.363 282 W HA -0.221 4.439 4.660 -0.001 0.000 0.296 282 W C 2.453 179.026 176.519 0.091 0.000 1.212 282 W CA 1.610 58.970 57.345 0.024 0.000 1.260 282 W CB -0.093 29.388 29.460 0.034 0.000 1.131 282 W HN 0.105 nan 8.180 nan 0.000 0.530 283 A N 0.932 123.797 122.820 0.075 0.000 1.978 283 A HA -0.229 4.090 4.320 -0.003 0.000 0.220 283 A C 1.968 179.419 177.584 -0.222 0.000 1.170 283 A CA 1.850 53.806 52.037 -0.136 0.000 0.636 283 A CB -0.779 18.218 19.000 -0.004 0.000 0.810 283 A HN 0.455 nan 8.150 nan 0.000 0.448 284 R N -0.349 120.067 120.500 -0.141 0.000 2.159 284 R HA -0.104 4.234 4.340 -0.003 0.000 0.237 284 R C 0.410 176.599 176.300 -0.185 0.000 1.131 284 R CA 1.387 57.399 56.100 -0.147 0.000 0.982 284 R CB -0.186 30.064 30.300 -0.085 0.000 0.868 284 R HN 0.480 nan 8.270 nan 0.000 0.453 285 D N -1.127 119.150 120.400 -0.205 0.000 2.395 285 D HA 0.049 4.687 4.640 -0.003 0.000 0.213 285 D C -0.221 175.674 176.300 -0.675 0.000 1.110 285 D CA 0.422 54.224 54.000 -0.329 0.000 0.835 285 D CB 0.605 41.251 40.800 -0.256 0.000 0.965 285 D HN 0.301 nan 8.370 nan 0.000 0.505 286 H N -0.703 118.017 119.070 -0.584 0.000 2.716 286 H HA 0.271 4.825 4.556 -0.002 0.000 0.230 286 H C 1.253 176.319 175.328 -0.436 0.000 1.401 286 H CA -0.340 55.336 56.048 -0.620 0.000 1.168 286 H CB 0.536 29.551 29.762 -1.246 0.000 1.935 286 H HN -0.233 nan 8.280 nan 0.000 0.538 287 S N 0.274 115.817 115.700 -0.263 0.000 2.365 287 S HA -0.209 4.260 4.470 -0.003 0.000 0.225 287 S C 1.494 176.016 174.600 -0.130 0.000 1.039 287 S CA 1.880 59.943 58.200 -0.229 0.000 1.033 287 S CB 0.044 63.114 63.200 -0.217 0.000 0.887 287 S HN 0.546 nan 8.310 nan 0.000 0.447 288 D N 1.498 121.845 120.400 -0.089 0.000 2.117 288 D HA -0.009 4.629 4.640 -0.003 0.000 0.197 288 D C 2.151 178.476 176.300 0.041 0.000 0.987 288 D CA 1.287 55.276 54.000 -0.019 0.000 0.829 288 D CB -0.543 40.245 40.800 -0.019 0.000 0.961 288 D HN 0.394 nan 8.370 nan 0.000 0.460 289 A N 0.371 123.223 122.820 0.054 0.000 1.902 289 A HA -0.129 4.189 4.320 -0.003 0.000 0.217 289 A C 2.477 180.184 177.584 0.204 0.000 1.181 289 A CA 1.212 53.340 52.037 0.152 0.000 0.623 289 A CB -0.685 18.464 19.000 0.248 0.000 0.818 289 A HN 0.155 nan 8.150 nan 0.000 0.443 290 V N -0.411 119.600 119.914 0.162 0.000 2.427 290 V HA -0.203 3.915 4.120 -0.003 0.000 0.248 290 V C 2.714 179.053 176.094 0.408 0.000 1.051 290 V CA 2.388 64.857 62.300 0.281 0.000 1.048 290 V CB -1.223 30.662 31.823 0.104 0.000 0.666 290 V HN 0.591 nan 8.190 nan 0.000 0.456 291 T N -0.101 114.605 114.554 0.254 0.000 2.708 291 T HA -0.182 4.166 4.350 -0.003 0.000 0.266 291 T C 2.166 177.014 174.700 0.247 0.000 1.037 291 T CA 1.949 64.229 62.100 0.300 0.000 1.146 291 T CB -0.266 68.701 68.868 0.165 0.000 0.865 291 T HN 0.509 nan 8.240 nan 0.000 0.435 292 S N 1.961 117.768 115.700 0.178 0.000 2.356 292 S HA -0.101 4.367 4.470 -0.003 0.000 0.223 292 S C 2.121 176.808 174.600 0.145 0.000 1.032 292 S CA 1.443 59.725 58.200 0.136 0.000 1.005 292 S CB -0.528 62.737 63.200 0.108 0.000 0.867 292 S HN 0.582 nan 8.310 nan 0.000 0.449 293 L N 0.063 121.392 121.223 0.176 0.000 2.141 293 L HA 0.072 4.411 4.340 -0.003 0.000 0.209 293 L C 1.883 178.792 176.870 0.066 0.000 1.094 293 L CA 1.813 56.718 54.840 0.108 0.000 0.763 293 L CB -1.223 40.891 42.059 0.092 0.000 0.908 293 L HN 0.125 nan 8.230 nan 0.000 0.437 294 H N 0.537 119.688 119.070 0.134 0.000 2.363 294 H HA 0.189 4.744 4.556 -0.003 0.000 0.301 294 H C 2.374 177.737 175.328 0.059 0.000 1.074 294 H CA 1.489 57.609 56.048 0.121 0.000 1.354 294 H CB -0.201 29.679 29.762 0.196 0.000 1.397 294 H HN 0.485 nan 8.280 nan 0.000 0.516 295 A N 0.804 123.721 122.820 0.162 0.000 1.902 295 A HA -0.145 4.174 4.320 -0.003 0.000 0.217 295 A C 2.484 180.103 177.584 0.058 0.000 1.181 295 A CA 1.687 53.761 52.037 0.063 0.000 0.623 295 A CB -1.052 17.975 19.000 0.046 0.000 0.818 295 A HN 0.473 nan 8.150 nan 0.000 0.443 296 A N -0.053 122.807 122.820 0.066 0.000 1.898 296 A HA -0.187 4.131 4.320 -0.003 0.000 0.216 296 A C 2.074 179.689 177.584 0.052 0.000 1.181 296 A CA 1.607 53.675 52.037 0.052 0.000 0.620 296 A CB -0.693 18.337 19.000 0.049 0.000 0.819 296 A HN 0.663 nan 8.150 nan 0.000 0.442 297 N N -0.329 118.402 118.700 0.051 0.000 2.120 297 N HA -0.126 4.612 4.740 -0.003 0.000 0.188 297 N C 1.370 176.927 175.510 0.077 0.000 1.024 297 N CA 1.463 54.544 53.050 0.051 0.000 0.852 297 N CB -0.090 38.410 38.487 0.023 0.000 1.003 297 N HN 0.312 nan 8.380 nan 0.000 0.424 298 L N 0.128 121.404 121.223 0.087 0.000 2.446 298 L HA 0.225 4.564 4.340 -0.003 0.000 0.219 298 L C 1.343 178.297 176.870 0.140 0.000 1.116 298 L CA 0.857 55.770 54.840 0.122 0.000 0.844 298 L CB -0.461 41.632 42.059 0.058 0.000 0.970 298 L HN 0.307 nan 8.230 nan 0.000 0.457 299 G N 0.292 109.146 108.800 0.090 0.000 2.212 299 G HA2 -0.149 3.809 3.960 -0.003 0.000 0.255 299 G HA3 -0.149 3.809 3.960 -0.003 0.000 0.255 299 G C 0.123 175.067 174.900 0.074 0.000 1.062 299 G CA 0.315 45.462 45.100 0.078 0.000 0.815 299 G HN 0.399 nan 8.290 nan 0.000 0.497 300 V N -3.037 116.905 119.914 0.047 0.000 3.155 300 V HA 0.970 5.089 4.120 -0.003 0.000 0.313 300 V C 0.756 176.846 176.094 -0.008 0.000 1.162 300 V CA -0.199 62.114 62.300 0.021 0.000 1.048 300 V CB 1.510 33.326 31.823 -0.012 0.000 1.092 300 V HN 1.504 nan 8.190 nan 0.000 0.447 301 S N 0.050 115.736 115.700 -0.023 0.000 2.585 301 S HA 0.172 4.640 4.470 -0.003 0.000 0.273 301 S C 1.339 175.915 174.600 -0.040 0.000 1.339 301 S CA 0.354 58.539 58.200 -0.025 0.000 1.028 301 S CB 0.875 64.059 63.200 -0.027 0.000 0.906 301 S HN 1.655 nan 8.310 nan 0.000 0.528 302 T N -0.500 114.043 114.554 -0.018 0.000 2.788 302 T HA 0.009 4.357 4.350 -0.003 0.000 0.268 302 T C 1.954 176.634 174.700 -0.032 0.000 1.044 302 T CA 1.115 63.209 62.100 -0.011 0.000 1.139 302 T CB -1.310 67.567 68.868 0.014 0.000 0.867 302 T HN 0.837 nan 8.240 nan 0.000 0.454 303 G N 1.098 109.876 108.800 -0.036 0.000 2.422 303 G HA2 0.119 4.077 3.960 -0.003 0.000 0.218 303 G HA3 0.119 4.077 3.960 -0.003 0.000 0.218 303 G C 1.859 176.709 174.900 -0.083 0.000 1.140 303 G CA 0.631 45.705 45.100 -0.043 0.000 0.775 303 G HN 0.746 nan 8.290 nan 0.000 0.545 304 A N 0.129 122.880 122.820 -0.115 0.000 2.015 304 A HA 0.185 4.504 4.320 -0.003 0.000 0.219 304 A C 2.527 179.915 177.584 -0.326 0.000 1.163 304 A CA 1.422 53.350 52.037 -0.181 0.000 0.646 304 A CB -0.314 18.587 19.000 -0.164 0.000 0.806 304 A HN 0.224 nan 8.150 nan 0.000 0.448 305 V N -0.098 119.612 119.914 -0.339 0.000 2.295 305 V HA -0.195 3.923 4.120 -0.003 0.000 0.246 305 V C 2.814 178.604 176.094 -0.507 0.000 1.049 305 V CA 2.047 63.992 62.300 -0.591 0.000 1.024 305 V CB -1.384 30.247 31.823 -0.320 0.000 0.648 305 V HN 0.584 nan 8.190 nan 0.000 0.447 306 G N -1.220 107.484 108.800 -0.160 0.000 2.408 306 G HA2 -0.236 3.722 3.960 -0.003 0.000 0.217 306 G HA3 -0.236 3.722 3.960 -0.003 0.000 0.217 306 G C 1.501 176.360 174.900 -0.068 0.000 1.150 306 G CA 0.682 45.779 45.100 -0.006 0.000 0.776 306 G HN 0.562 nan 8.290 nan 0.000 0.542 307 Q N -0.158 119.564 119.800 -0.130 0.000 2.083 307 Q HA 0.021 4.360 4.340 -0.003 0.000 0.198 307 Q C 2.825 178.738 176.000 -0.145 0.000 0.969 307 Q CA 1.060 56.803 55.803 -0.100 0.000 0.838 307 Q CB -0.258 28.428 28.738 -0.087 0.000 0.900 307 Q HN 0.444 nan 8.270 nan 0.000 0.436 308 G N -0.470 108.135 108.800 -0.326 0.000 2.464 308 G HA2 -0.136 3.822 3.960 -0.003 0.000 0.217 308 G HA3 -0.136 3.822 3.960 -0.003 0.000 0.217 308 G C 0.791 175.570 174.900 -0.202 0.000 1.138 308 G CA 0.327 45.192 45.100 -0.392 0.000 0.793 308 G HN 0.202 nan 8.290 nan 0.000 0.539 309 F N 0.500 120.250 119.950 -0.335 0.000 2.704 309 F HA 0.435 4.960 4.527 -0.003 0.000 0.304 309 F C 1.298 177.016 175.800 -0.137 0.000 1.094 309 F CA -0.542 57.230 58.000 -0.379 0.000 1.275 309 F CB 0.136 38.603 39.000 -0.889 0.000 1.073 309 F HN 0.266 nan 8.300 nan 0.000 0.586 310 G N 0.318 109.187 108.800 0.115 0.000 2.911 310 G HA2 0.195 4.153 3.960 -0.003 0.000 0.686 310 G HA3 0.195 4.153 3.960 -0.003 0.000 0.686 310 G C 0.732 175.749 174.900 0.195 0.000 1.136 310 G CA -0.506 44.673 45.100 0.133 0.000 0.764 310 G HN 0.395 nan 8.290 nan 0.000 0.626 311 A N 0.978 123.865 122.820 0.112 0.000 1.986 311 A HA 0.031 4.349 4.320 -0.003 0.000 0.220 311 A C 1.711 179.333 177.584 0.064 0.000 1.171 311 A CA 2.518 54.607 52.037 0.086 0.000 0.640 311 A CB -0.208 18.813 19.000 0.035 0.000 0.811 311 A HN 1.585 nan 8.150 nan 0.000 0.451 312 D N -1.149 119.282 120.400 0.052 0.000 2.788 312 D HA 0.124 4.762 4.640 -0.003 0.000 0.289 312 D C 0.747 177.014 176.300 -0.055 0.000 1.340 312 D CA -0.282 53.691 54.000 -0.044 0.000 0.831 312 D CB -0.932 39.842 40.800 -0.044 0.000 1.103 312 D HN 0.489 nan 8.370 nan 0.000 0.476 313 F N 1.101 121.029 119.950 -0.037 0.000 2.269 313 F HA -0.083 4.444 4.527 -0.000 0.000 0.301 313 F C 1.611 177.358 175.800 -0.089 0.000 1.082 313 F CA 0.798 58.761 58.000 -0.062 0.000 1.360 313 F CB -0.492 38.477 39.000 -0.051 0.000 1.041 313 F HN -0.136 nan 8.300 nan 0.000 0.512 314 Q N 0.411 119.607 119.800 -1.007 0.000 2.437 314 Q HA -0.102 4.237 4.340 -0.003 0.000 0.210 314 Q C 1.650 177.457 176.000 -0.322 0.000 0.972 314 Q CA 1.008 56.354 55.803 -0.761 0.000 0.903 314 Q CB -0.422 27.874 28.738 -0.737 0.000 0.967 314 Q HN 0.513 nan 8.270 nan 0.000 0.486 315 Q N -0.340 119.327 119.800 -0.222 0.000 2.392 315 Q HA 0.117 4.456 4.340 -0.003 0.000 0.203 315 Q C 0.405 176.365 176.000 -0.066 0.000 0.917 315 Q CA 0.451 56.182 55.803 -0.121 0.000 0.939 315 Q CB 0.677 29.359 28.738 -0.093 0.000 1.063 315 Q HN 0.318 nan 8.270 nan 0.000 0.516 316 R N 0.260 120.729 120.500 -0.052 0.000 2.816 316 R HA 0.340 4.679 4.340 -0.003 0.000 0.382 316 R C 0.910 177.209 176.300 -0.002 0.000 1.140 316 R CA -0.060 56.035 56.100 -0.008 0.000 1.050 316 R CB 0.418 30.728 30.300 0.017 0.000 1.396 316 R HN 0.050 nan 8.270 nan 0.000 0.583 317 L N 0.161 121.372 121.223 -0.021 0.000 2.554 317 L HA 0.180 4.518 4.340 -0.003 0.000 0.225 317 L C 0.370 177.239 176.870 -0.002 0.000 1.104 317 L CA 0.134 54.960 54.840 -0.023 0.000 0.866 317 L CB 0.706 42.748 42.059 -0.028 0.000 1.047 317 L HN -0.019 nan 8.230 nan 0.000 0.468 318 V N 2.114 122.036 119.914 0.014 0.000 2.479 318 V HA 0.093 4.211 4.120 -0.003 0.000 0.281 318 V C -1.830 174.317 176.094 0.088 0.000 1.031 318 V CA -1.232 61.092 62.300 0.040 0.000 1.038 318 V CB 0.239 32.081 31.823 0.032 0.000 0.981 318 V HN 0.043 nan 8.190 nan 0.000 0.478 319 P HA 0.186 nan 4.420 nan 0.000 0.267 319 P C -0.408 176.977 177.300 0.142 0.000 1.201 319 P CA 0.186 63.414 63.100 0.214 0.000 0.775 319 P CB 0.489 32.381 31.700 0.321 0.000 0.854 320 R N 1.619 122.194 120.500 0.125 0.000 2.807 320 R HA 0.610 4.948 4.340 -0.003 0.000 0.276 320 R C -0.052 176.279 176.300 0.052 0.000 0.979 320 R CA -0.766 55.383 56.100 0.082 0.000 0.928 320 R CB 1.522 31.868 30.300 0.077 0.000 1.191 320 R HN 0.378 nan 8.270 nan 0.000 0.471 321 L N 1.224 122.468 121.223 0.034 0.000 3.519 321 L HA 0.168 4.506 4.340 -0.003 0.000 0.323 321 L C -0.606 176.268 176.870 0.006 0.000 1.289 321 L CA -0.215 54.625 54.840 -0.000 0.000 1.039 321 L CB 0.449 42.495 42.059 -0.023 0.000 1.438 321 L HN 0.751 nan 8.230 nan 0.000 0.619 322 D N -2.853 117.575 120.400 0.048 0.000 2.371 322 D HA -0.012 4.627 4.640 -0.003 0.000 0.242 322 D C 1.077 177.436 176.300 0.098 0.000 1.218 322 D CA -0.278 53.784 54.000 0.103 0.000 0.945 322 D CB 0.748 41.614 40.800 0.110 0.000 1.137 322 D HN 0.020 nan 8.370 nan 0.000 0.464 323 H N -1.020 118.064 119.070 0.023 0.000 2.387 323 H HA -0.086 4.468 4.556 -0.003 0.000 0.299 323 H C 1.226 176.572 175.328 0.031 0.000 1.099 323 H CA 1.833 57.896 56.048 0.026 0.000 1.315 323 H CB -0.261 29.515 29.762 0.022 0.000 1.380 323 H HN 0.643 nan 8.280 nan 0.000 0.513 324 D N -0.192 120.300 120.400 0.153 0.000 2.117 324 D HA -0.088 4.550 4.640 -0.003 0.000 0.198 324 D C 2.237 178.584 176.300 0.077 0.000 0.982 324 D CA 1.182 55.241 54.000 0.097 0.000 0.828 324 D CB -0.148 40.698 40.800 0.076 0.000 0.967 324 D HN 0.360 nan 8.370 nan 0.000 0.464 325 A N 0.012 122.875 122.820 0.072 0.000 1.898 325 A HA -0.070 4.249 4.320 -0.003 0.000 0.216 325 A C 2.343 179.962 177.584 0.058 0.000 1.181 325 A CA 0.944 53.020 52.037 0.065 0.000 0.620 325 A CB -0.820 18.216 19.000 0.060 0.000 0.819 325 A HN 0.351 nan 8.150 nan 0.000 0.442 326 L N -0.821 120.424 121.223 0.036 0.000 2.141 326 L HA -0.159 4.179 4.340 -0.003 0.000 0.209 326 L C 3.009 179.910 176.870 0.052 0.000 1.094 326 L CA 0.858 55.713 54.840 0.025 0.000 0.763 326 L CB -0.423 41.612 42.059 -0.039 0.000 0.908 326 L HN 0.446 nan 8.230 nan 0.000 0.437 327 A N -0.171 122.685 122.820 0.059 0.000 1.969 327 A HA -0.186 4.132 4.320 -0.003 0.000 0.218 327 A C 2.174 179.802 177.584 0.072 0.000 1.169 327 A CA 1.292 53.369 52.037 0.067 0.000 0.635 327 A CB -0.488 18.555 19.000 0.072 0.000 0.810 327 A HN 0.312 nan 8.150 nan 0.000 0.445 328 L N -0.717 120.551 121.223 0.074 0.000 2.056 328 L HA -0.078 4.261 4.340 -0.003 0.000 0.207 328 L C 2.205 179.138 176.870 0.106 0.000 1.078 328 L CA 1.904 56.790 54.840 0.077 0.000 0.749 328 L CB -0.617 41.488 42.059 0.077 0.000 0.901 328 L HN 0.342 nan 8.230 nan 0.000 0.433 329 L N -0.315 120.980 121.223 0.120 0.000 2.046 329 L HA -0.185 4.154 4.340 -0.003 0.000 0.208 329 L C 2.441 179.402 176.870 0.152 0.000 1.077 329 L CA 1.998 56.932 54.840 0.158 0.000 0.747 329 L CB -0.853 41.300 42.059 0.156 0.000 0.896 329 L HN 0.430 nan 8.230 nan 0.000 0.432 330 E N -0.165 120.106 120.200 0.119 0.000 2.110 330 E HA -0.261 4.087 4.350 -0.003 0.000 0.193 330 E C 2.446 179.110 176.600 0.108 0.000 0.988 330 E CA 1.398 57.861 56.400 0.105 0.000 0.804 330 E CB -0.246 29.502 29.700 0.080 0.000 0.745 330 E HN 0.449 nan 8.360 nan 0.000 0.458 331 R N -0.676 119.886 120.500 0.103 0.000 2.091 331 R HA -0.131 4.207 4.340 -0.003 0.000 0.238 331 R C 2.006 178.393 176.300 0.145 0.000 1.136 331 R CA 2.030 58.193 56.100 0.105 0.000 0.959 331 R CB -0.456 29.889 30.300 0.076 0.000 0.856 331 R HN 0.207 nan 8.270 nan 0.000 0.437 332 T N 0.430 115.082 114.554 0.165 0.000 2.777 332 T HA -0.204 4.144 4.350 -0.003 0.000 0.266 332 T C 1.676 176.513 174.700 0.228 0.000 1.040 332 T CA 1.516 63.754 62.100 0.231 0.000 1.141 332 T CB -0.202 68.849 68.868 0.306 0.000 0.868 332 T HN 0.418 nan 8.240 nan 0.000 0.444 333 Q N 0.413 120.317 119.800 0.173 0.000 2.135 333 Q HA -0.182 4.156 4.340 -0.003 0.000 0.204 333 Q C 2.298 178.363 176.000 0.108 0.000 0.981 333 Q CA 1.199 57.077 55.803 0.126 0.000 0.856 333 Q CB -0.040 28.755 28.738 0.096 0.000 0.902 333 Q HN 0.339 nan 8.270 nan 0.000 0.425 334 Q N -0.462 119.407 119.800 0.116 0.000 2.167 334 Q HA -0.143 4.196 4.340 -0.003 0.000 0.202 334 Q C 1.778 177.830 176.000 0.088 0.000 0.970 334 Q CA 1.068 56.922 55.803 0.084 0.000 0.855 334 Q CB -0.354 28.433 28.738 0.082 0.000 0.911 334 Q HN 0.453 nan 8.270 nan 0.000 0.438 335 F N 1.046 121.011 119.950 0.024 0.000 2.171 335 F HA -0.150 4.376 4.527 -0.002 0.000 0.300 335 F C 1.912 177.698 175.800 -0.023 0.000 1.090 335 F CA 0.943 58.947 58.000 0.006 0.000 1.293 335 F CB -0.072 38.943 39.000 0.026 0.000 1.013 335 F HN -0.029 nan 8.300 nan 0.000 0.486 336 L N -0.401 120.897 121.223 0.126 0.000 2.046 336 L HA -0.233 4.106 4.340 -0.003 0.000 0.208 336 L C 2.445 179.260 176.870 -0.091 0.000 1.077 336 L CA 1.187 56.033 54.840 0.010 0.000 0.747 336 L CB -0.847 41.247 42.059 0.059 0.000 0.896 336 L HN 0.213 nan 8.230 nan 0.000 0.432 337 L N -0.837 120.353 121.223 -0.056 0.000 2.017 337 L HA -0.189 4.149 4.340 -0.003 0.000 0.208 337 L C 2.666 179.466 176.870 -0.116 0.000 1.073 337 L CA 1.542 56.343 54.840 -0.066 0.000 0.745 337 L CB -0.880 41.160 42.059 -0.032 0.000 0.894 337 L HN 0.219 nan 8.230 nan 0.000 0.432 338 T N -0.391 114.072 114.554 -0.152 0.000 2.720 338 T HA -0.158 4.191 4.350 -0.003 0.000 0.268 338 T C 1.417 175.965 174.700 -0.253 0.000 1.037 338 T CA 1.308 63.295 62.100 -0.189 0.000 1.144 338 T CB -0.239 68.500 68.868 -0.215 0.000 0.864 338 T HN 0.301 nan 8.240 nan 0.000 0.444 339 N N 1.442 119.922 118.700 -0.368 0.000 2.313 339 N HA 0.055 4.793 4.740 -0.003 0.000 0.207 339 N C 0.267 175.613 175.510 -0.274 0.000 1.141 339 N CA 0.003 52.829 53.050 -0.373 0.000 0.830 339 N CB 0.085 38.227 38.487 -0.576 0.000 1.008 339 N HN 0.217 nan 8.380 nan 0.000 0.481 340 N N 0.327 118.908 118.700 -0.199 0.000 2.753 340 N HA -0.176 4.563 4.740 -0.003 0.000 0.251 340 N C 0.670 176.084 175.510 -0.161 0.000 1.097 340 N CA 0.341 53.305 53.050 -0.143 0.000 0.786 340 N CB -1.335 37.076 38.487 -0.126 0.000 1.137 340 N HN 0.350 nan 8.380 nan 0.000 0.566 341 L N -0.912 120.187 121.223 -0.207 0.000 2.341 341 L HA 0.152 4.490 4.340 -0.003 0.000 0.214 341 L C 0.960 177.880 176.870 0.084 0.000 1.115 341 L CA 0.809 55.527 54.840 -0.204 0.000 0.820 341 L CB 0.098 42.023 42.059 -0.222 0.000 0.944 341 L HN 0.097 nan 8.230 nan 0.000 0.452 342 L N -0.952 120.281 121.223 0.017 0.000 2.388 342 L HA 0.278 4.617 4.340 -0.003 0.000 0.264 342 L C 0.183 177.056 176.870 0.005 0.000 0.998 342 L CA -0.526 54.329 54.840 0.026 0.000 0.817 342 L CB 2.303 44.361 42.059 -0.001 0.000 1.338 342 L HN -0.096 nan 8.230 nan 0.000 0.414 343 Q N 0.494 120.298 119.800 0.006 0.000 2.442 343 Q HA 0.231 4.570 4.340 -0.003 0.000 0.228 343 Q C -0.440 175.551 176.000 -0.014 0.000 0.902 343 Q CA 0.679 56.479 55.803 -0.005 0.000 0.933 343 Q CB 0.931 29.671 28.738 0.002 0.000 1.071 343 Q HN 0.587 nan 8.270 nan 0.000 0.562 344 E N 2.061 122.249 120.200 -0.019 0.000 2.210 344 E HA 0.343 4.692 4.350 -0.003 0.000 0.266 344 E C -2.459 174.121 176.600 -0.034 0.000 0.883 344 E CA -2.011 54.374 56.400 -0.025 0.000 0.761 344 E CB 2.174 31.857 29.700 -0.028 0.000 1.156 344 E HN -0.030 nan 8.360 nan 0.000 0.412 345 P HA 0.092 nan 4.420 nan 0.000 0.276 345 P C -0.416 176.849 177.300 -0.058 0.000 1.244 345 P CA -0.426 62.654 63.100 -0.034 0.000 0.801 345 P CB 0.897 32.590 31.700 -0.011 0.000 1.006 346 V N 1.346 121.209 119.914 -0.085 0.000 2.546 346 V HA 0.303 4.421 4.120 -0.003 0.000 0.284 346 V C 0.959 177.028 176.094 -0.041 0.000 1.050 346 V CA -0.440 61.777 62.300 -0.139 0.000 0.981 346 V CB 0.697 32.340 31.823 -0.302 0.000 0.990 346 V HN 0.718 nan 8.190 nan 0.000 0.474 347 A N 5.539 128.347 122.820 -0.020 0.000 2.539 347 A HA 0.421 4.740 4.320 -0.003 0.000 0.306 347 A C 1.134 178.785 177.584 0.112 0.000 1.392 347 A CA -0.318 51.741 52.037 0.036 0.000 1.060 347 A CB -0.313 18.702 19.000 0.026 0.000 1.134 347 A HN 0.920 nan 8.150 nan 0.000 0.542 348 L N 0.970 122.280 121.223 0.144 0.000 2.081 348 L HA -0.212 4.127 4.340 -0.003 0.000 0.212 348 L C 1.620 178.582 176.870 0.153 0.000 1.080 348 L CA 1.392 56.371 54.840 0.231 0.000 0.754 348 L CB -0.443 41.719 42.059 0.172 0.000 0.893 348 L HN 0.580 nan 8.230 nan 0.000 0.433 349 D N -0.293 120.153 120.400 0.077 0.000 2.178 349 D HA -0.167 4.471 4.640 -0.003 0.000 0.202 349 D C 2.278 178.610 176.300 0.054 0.000 0.974 349 D CA 1.124 55.144 54.000 0.033 0.000 0.841 349 D CB -0.008 40.796 40.800 0.007 0.000 0.953 349 D HN 0.512 nan 8.370 nan 0.000 0.478 350 Q N -0.838 119.014 119.800 0.087 0.000 2.163 350 Q HA -0.089 4.249 4.340 -0.003 0.000 0.198 350 Q C 1.944 178.042 176.000 0.164 0.000 0.954 350 Q CA 0.447 56.305 55.803 0.091 0.000 0.851 350 Q CB 0.018 28.799 28.738 0.071 0.000 0.928 350 Q HN 0.290 nan 8.270 nan 0.000 0.459 351 W N 1.832 123.114 121.300 -0.031 0.000 2.381 351 W HA 0.074 4.733 4.660 -0.002 0.000 0.301 351 W C 0.518 177.010 176.519 -0.045 0.000 1.205 351 W CA 0.768 58.089 57.345 -0.041 0.000 1.285 351 W CB -0.542 28.890 29.460 -0.046 0.000 1.133 351 W HN -0.050 nan 8.180 nan 0.000 0.521 352 A N 0.692 123.513 122.820 0.001 0.000 2.483 352 A HA 0.457 4.776 4.320 -0.003 0.000 0.238 352 A C -0.001 177.534 177.584 -0.081 0.000 1.070 352 A CA 0.395 52.336 52.037 -0.159 0.000 0.770 352 A CB -0.053 18.876 19.000 -0.119 0.000 1.008 352 A HN 0.647 nan 8.150 nan 0.000 0.497 353 A N 3.549 126.315 122.820 -0.090 0.000 3.105 353 A HA 0.602 4.921 4.320 -0.003 0.000 0.336 353 A C -1.459 176.125 177.584 0.001 0.000 1.042 353 A CA -1.004 51.033 52.037 0.000 0.000 0.851 353 A CB 0.434 19.513 19.000 0.131 0.000 1.068 353 A HN 0.606 nan 8.150 nan 0.000 0.477 354 P HA -0.210 nan 4.420 nan 0.000 0.225 354 P C 1.115 178.362 177.300 -0.089 0.000 1.148 354 P CA 1.194 64.260 63.100 -0.056 0.000 0.779 354 P CB 0.269 31.936 31.700 -0.055 0.000 0.780 355 E N 0.167 120.247 120.200 -0.200 0.000 2.118 355 E HA -0.205 4.143 4.350 -0.003 0.000 0.195 355 E C 1.737 178.137 176.600 -0.333 0.000 0.992 355 E CA 1.164 57.373 56.400 -0.318 0.000 0.804 355 E CB -1.350 28.051 29.700 -0.498 0.000 0.741 355 E HN 0.220 nan 8.360 nan 0.000 0.458 356 F N 1.130 121.034 119.950 -0.077 0.000 2.060 356 F HA -0.078 4.447 4.527 -0.003 0.000 0.295 356 F C 2.520 178.290 175.800 -0.050 0.000 1.120 356 F CA 1.009 58.963 58.000 -0.077 0.000 1.205 356 F CB -0.882 38.037 39.000 -0.135 0.000 0.986 356 F HN 0.036 nan 8.300 nan 0.000 0.470 357 L N 0.740 122.043 121.223 0.134 0.000 2.083 357 L HA -0.216 4.122 4.340 -0.003 0.000 0.209 357 L C 2.029 178.930 176.870 0.053 0.000 1.083 357 L CA 1.762 56.657 54.840 0.091 0.000 0.752 357 L CB -1.194 40.908 42.059 0.071 0.000 0.899 357 L HN 0.151 nan 8.230 nan 0.000 0.433 358 N N -0.525 118.184 118.700 0.016 0.000 2.120 358 N HA -0.214 4.525 4.740 -0.003 0.000 0.188 358 N C 1.611 177.122 175.510 0.000 0.000 1.024 358 N CA 1.646 54.695 53.050 -0.001 0.000 0.852 358 N CB -0.161 38.308 38.487 -0.030 0.000 1.003 358 N HN 0.369 nan 8.380 nan 0.000 0.424 359 N N -0.271 118.424 118.700 -0.010 0.000 2.188 359 N HA -0.058 4.680 4.740 -0.003 0.000 0.184 359 N C 1.632 177.160 175.510 0.030 0.000 1.018 359 N CA 0.942 53.992 53.050 -0.001 0.000 0.858 359 N CB -0.479 38.000 38.487 -0.013 0.000 0.989 359 N HN 0.205 nan 8.380 nan 0.000 0.426 360 S N 1.135 116.867 115.700 0.054 0.000 2.356 360 S HA 0.033 4.502 4.470 -0.003 0.000 0.223 360 S C 1.996 176.624 174.600 0.048 0.000 1.032 360 S CA 0.662 58.900 58.200 0.062 0.000 1.005 360 S CB -0.201 63.050 63.200 0.086 0.000 0.867 360 S HN 0.268 nan 8.310 nan 0.000 0.449 361 L N 1.495 122.744 121.223 0.043 0.000 2.465 361 L HA 0.054 4.392 4.340 -0.003 0.000 0.224 361 L C 1.360 178.247 176.870 0.027 0.000 1.145 361 L CA 0.534 55.396 54.840 0.036 0.000 0.834 361 L CB -0.389 41.691 42.059 0.036 0.000 0.944 361 L HN 0.251 nan 8.230 nan 0.000 0.451 362 N N -0.120 118.594 118.700 0.023 0.000 2.280 362 N HA 0.085 4.823 4.740 -0.003 0.000 0.192 362 N C 0.644 176.165 175.510 0.019 0.000 1.109 362 N CA 0.036 53.096 53.050 0.017 0.000 0.855 362 N CB 0.407 38.900 38.487 0.008 0.000 0.974 362 N HN 0.307 nan 8.380 nan 0.000 0.482 363 R N 0.000 120.515 120.500 0.025 0.000 2.786 363 R HA 0.000 4.338 4.340 -0.003 0.000 0.208 363 R CA 0.000 56.116 56.100 0.027 0.000 0.921 363 R CB 0.000 30.321 30.300 0.035 0.000 0.687 363 R HN 0.000 nan 8.270 nan 0.000 0.535