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 2f29_1_A DATA FIRST_RESID 1 DATA SEQUENCE MASLPVLQKE SVFQSGAHAY RIPALLYLPG QQSLLAFAEQ RASKKDEHAE DATA SEQUENCE LIVLRRGDYD APTHQVQWQA QEVVAQARLD GHRSMNPCPL YDAQTGTLFL DATA SEQUENCE FFIAIPGQVT EQQQLETRAN VTRLCQVTST DHGRTWSSPR DLTDAAIGPA DATA SEQUENCE YREWSTFAVG PGHCLQLNDR ARSLVVPAYA YRKLHPIQRP IPSAFCFLSH DATA SEQUENCE DHGRTWARGH FVAQDTLECQ VAEVEXXXQR VVTLNARSHL RARVQAQSTN DATA SEQUENCE DGLDFQESQL VKKLVEPPPQ GCQGSVISFP SPRXXXXSPA QWLLYTHPTH DATA SEQUENCE SWQRADLGAY LNPRPPAPEA WSEPVLLAKG SCAYSDLQSM GTGPDGSPLF DATA SEQUENCE GCLYEANDYE EIVFLMFTLK QAFPAEY VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.278 176.300 -0.037 0.000 1.140 1 M CA 0.000 55.282 55.300 -0.029 0.000 0.988 1 M CB 0.000 32.588 32.600 -0.020 0.000 1.302 2 A N 1.441 124.237 122.820 -0.040 0.000 2.407 2 A HA 0.498 4.817 4.320 -0.001 0.000 0.248 2 A C 0.702 178.246 177.584 -0.067 0.000 1.082 2 A CA 0.538 52.547 52.037 -0.046 0.000 0.785 2 A CB 0.304 19.280 19.000 -0.040 0.000 1.020 2 A HN 0.398 nan 8.150 nan 0.000 0.489 3 S N 0.392 116.049 115.700 -0.072 0.000 2.606 3 S HA 0.288 4.757 4.470 -0.001 0.000 0.257 3 S C 0.210 174.737 174.600 -0.121 0.000 1.327 3 S CA -0.434 57.703 58.200 -0.104 0.000 0.984 3 S CB 0.098 63.240 63.200 -0.096 0.000 0.941 3 S HN 1.120 nan 8.310 nan 0.000 0.576 4 L N 3.549 124.668 121.223 -0.174 0.000 2.410 4 L HA 0.393 4.733 4.340 -0.001 0.000 0.273 4 L C -2.043 174.740 176.870 -0.146 0.000 1.144 4 L CA -1.356 53.367 54.840 -0.194 0.000 0.863 4 L CB 0.283 42.152 42.059 -0.316 0.000 1.140 4 L HN 0.456 nan 8.230 nan 0.000 0.463 5 P HA 0.093 nan 4.420 nan 0.000 0.269 5 P C -0.472 176.805 177.300 -0.038 0.000 1.252 5 P CA -0.102 62.966 63.100 -0.053 0.000 0.780 5 P CB 0.587 32.266 31.700 -0.036 0.000 0.829 6 V N 2.060 121.967 119.914 -0.012 0.000 3.438 6 V HA 0.329 4.448 4.120 -0.001 0.000 0.298 6 V C 1.576 177.732 176.094 0.104 0.000 1.148 6 V CA -0.661 61.672 62.300 0.056 0.000 0.994 6 V CB 0.465 32.325 31.823 0.063 0.000 1.236 6 V HN 0.276 nan 8.190 nan 0.000 0.455 7 L N -0.511 120.809 121.223 0.162 0.000 2.375 7 L HA 0.335 4.674 4.340 -0.001 0.000 0.215 7 L C 0.913 177.868 176.870 0.143 0.000 1.108 7 L CA 0.936 55.883 54.840 0.178 0.000 0.830 7 L CB 0.316 42.508 42.059 0.223 0.000 0.959 7 L HN 0.948 nan 8.230 nan 0.000 0.457 8 Q N -0.076 119.787 119.800 0.105 0.000 2.541 8 Q HA 0.203 4.542 4.340 -0.001 0.000 0.259 8 Q C -1.445 174.569 176.000 0.022 0.000 0.974 8 Q CA -0.560 55.293 55.803 0.083 0.000 0.955 8 Q CB 1.589 30.422 28.738 0.158 0.000 1.517 8 Q HN -0.126 nan 8.270 nan 0.000 0.412 9 K N 3.072 123.502 120.400 0.050 0.000 2.613 9 K HA 0.409 4.728 4.320 -0.001 0.000 0.248 9 K C -1.888 174.747 176.600 0.058 0.000 0.959 9 K CA -0.246 56.062 56.287 0.035 0.000 0.855 9 K CB 1.653 34.177 32.500 0.040 0.000 1.143 9 K HN 0.700 nan 8.250 nan 0.000 0.437 10 E N 2.512 122.755 120.200 0.072 0.000 2.321 10 E HA 0.244 4.593 4.350 -0.001 0.000 0.278 10 E C -1.369 175.201 176.600 -0.050 0.000 0.902 10 E CA -0.646 55.781 56.400 0.045 0.000 0.758 10 E CB 1.826 31.602 29.700 0.125 0.000 1.213 10 E HN 0.430 nan 8.360 nan 0.000 0.426 11 S N 2.420 118.067 115.700 -0.088 0.000 2.488 11 S HA 0.070 4.539 4.470 -0.001 0.000 0.278 11 S C 1.000 175.453 174.600 -0.245 0.000 1.259 11 S CA -0.261 57.854 58.200 -0.142 0.000 1.061 11 S CB 0.894 64.036 63.200 -0.096 0.000 0.910 11 S HN 0.481 nan 8.310 nan 0.000 0.491 12 V N 0.746 120.438 119.914 -0.370 0.000 3.431 12 V HA 0.493 4.612 4.120 -0.001 0.000 0.253 12 V C -0.158 175.412 176.094 -0.874 0.000 1.184 12 V CA 0.393 62.268 62.300 -0.708 0.000 1.104 12 V CB -0.537 30.660 31.823 -1.043 0.000 0.799 12 V HN 0.567 nan 8.190 nan 0.000 0.462 13 F N 0.175 119.960 119.950 -0.274 0.000 2.591 13 F HA 0.801 5.327 4.527 -0.001 0.000 0.309 13 F C -0.216 175.461 175.800 -0.205 0.000 1.098 13 F CA -0.770 57.037 58.000 -0.321 0.000 0.937 13 F CB 2.262 41.091 39.000 -0.285 0.000 1.250 13 F HN -0.038 nan 8.300 nan 0.000 0.447 14 Q N 0.541 120.336 119.800 -0.007 0.000 2.456 14 Q HA 0.532 4.871 4.340 -0.001 0.000 0.284 14 Q C -1.076 175.046 176.000 0.204 0.000 1.061 14 Q CA -1.054 54.794 55.803 0.075 0.000 0.799 14 Q CB 2.856 31.607 28.738 0.021 0.000 1.445 14 Q HN 0.615 nan 8.270 nan 0.000 0.411 15 S N -0.436 115.402 115.700 0.230 0.000 2.593 15 S HA 0.702 5.171 4.470 -0.001 0.000 0.269 15 S C 0.103 174.823 174.600 0.201 0.000 1.334 15 S CA 0.416 58.781 58.200 0.274 0.000 1.015 15 S CB 0.995 64.293 63.200 0.164 0.000 0.912 15 S HN 0.785 nan 8.310 nan 0.000 0.541 16 G N 0.218 109.132 108.800 0.190 0.000 3.074 16 G HA2 0.426 4.385 3.960 -0.001 0.000 0.127 16 G HA3 0.426 4.385 3.960 -0.001 0.000 0.127 16 G C 0.621 175.535 174.900 0.023 0.000 1.216 16 G CA 0.158 45.322 45.100 0.107 0.000 1.390 16 G HN 0.745 nan 8.290 nan 0.000 0.676 17 A N -0.381 122.420 122.820 -0.031 0.000 2.125 17 A HA 0.280 4.599 4.320 -0.001 0.000 0.219 17 A C 0.965 178.186 177.584 -0.604 0.000 1.156 17 A CA 1.388 53.252 52.037 -0.288 0.000 0.671 17 A CB -0.593 18.220 19.000 -0.313 0.000 0.794 17 A HN 0.542 nan 8.150 nan 0.000 0.459 18 H N -2.727 116.364 119.070 0.033 0.000 2.977 18 H HA 0.641 5.196 4.556 -0.001 0.000 0.350 18 H C -0.537 174.694 175.328 -0.161 0.000 1.238 18 H CA -0.356 55.611 56.048 -0.135 0.000 1.124 18 H CB 1.573 31.142 29.762 -0.322 0.000 1.866 18 H HN 0.197 nan 8.280 nan 0.000 0.550 19 A N 1.022 123.740 122.820 -0.169 0.000 2.325 19 A HA 0.630 4.950 4.320 -0.001 0.000 0.333 19 A C -1.603 175.719 177.584 -0.437 0.000 1.155 19 A CA -0.519 51.450 52.037 -0.114 0.000 0.814 19 A CB 0.593 19.567 19.000 -0.043 0.000 1.206 19 A HN 0.545 nan 8.150 nan 0.000 0.482 20 Y N 1.175 121.478 120.300 0.006 0.000 2.326 20 Y HA 0.585 5.134 4.550 -0.001 0.000 0.331 20 Y C 0.649 176.504 175.900 -0.075 0.000 0.962 20 Y CA -0.316 57.730 58.100 -0.091 0.000 1.167 20 Y CB 1.735 40.101 38.460 -0.157 0.000 1.148 20 Y HN 0.732 nan 8.280 nan 0.000 0.463 21 R N 1.938 122.418 120.500 -0.034 0.000 2.922 21 R HA 0.572 4.912 4.340 -0.001 0.000 0.256 21 R C -1.000 175.283 176.300 -0.028 0.000 1.138 21 R CA -1.258 54.825 56.100 -0.027 0.000 0.995 21 R CB 1.667 31.890 30.300 -0.129 0.000 1.226 21 R HN 0.591 nan 8.270 nan 0.000 0.481 22 I N 0.725 121.292 120.570 -0.005 0.000 7.474 22 I HA -0.148 4.022 4.170 -0.001 0.000 0.126 22 I C -2.260 173.954 176.117 0.162 0.000 1.805 22 I CA -0.183 61.178 61.300 0.103 0.000 2.128 22 I CB -2.209 35.826 38.000 0.057 0.000 3.592 22 I HN 0.495 nan 8.210 nan 0.000 0.196 23 P HA 0.511 nan 4.420 nan 0.000 0.278 23 P C -0.395 177.086 177.300 0.301 0.000 1.238 23 P CA -0.154 63.090 63.100 0.240 0.000 0.794 23 P CB 2.153 34.002 31.700 0.250 0.000 0.955 24 A N 2.682 125.717 122.820 0.358 0.000 2.449 24 A HA 0.661 4.980 4.320 -0.001 0.000 0.302 24 A C -1.711 176.167 177.584 0.491 0.000 1.048 24 A CA -0.640 51.648 52.037 0.419 0.000 0.708 24 A CB 1.341 20.583 19.000 0.404 0.000 1.274 24 A HN 0.495 nan 8.150 nan 0.000 0.410 25 L N 2.069 123.566 121.223 0.456 0.000 2.406 25 L HA 0.775 5.114 4.340 -0.001 0.000 0.272 25 L C -1.622 175.504 176.870 0.427 0.000 0.980 25 L CA -0.535 54.565 54.840 0.433 0.000 0.831 25 L CB 1.598 43.878 42.059 0.368 0.000 1.253 25 L HN 0.708 nan 8.230 nan 0.000 0.406 26 L N 5.182 126.684 121.223 0.465 0.000 2.341 26 L HA 0.538 4.877 4.340 -0.001 0.000 0.278 26 L C -1.669 175.412 176.870 0.353 0.000 1.005 26 L CA -0.340 54.764 54.840 0.439 0.000 0.818 26 L CB 1.597 43.980 42.059 0.539 0.000 1.259 26 L HN 0.608 nan 8.230 nan 0.000 0.418 27 Y N 5.293 125.697 120.300 0.173 0.000 2.331 27 Y HA 0.584 5.133 4.550 -0.001 0.000 0.338 27 Y C -1.114 174.800 175.900 0.023 0.000 0.992 27 Y CA -0.903 57.243 58.100 0.076 0.000 1.121 27 Y CB 1.180 39.677 38.460 0.061 0.000 1.184 27 Y HN 0.509 nan 8.280 nan 0.000 0.469 28 L N 9.858 130.648 121.223 -0.722 0.000 2.314 28 L HA 0.317 4.656 4.340 -0.001 0.000 0.275 28 L C -1.484 174.793 176.870 -0.989 0.000 1.068 28 L CA -1.675 52.737 54.840 -0.714 0.000 0.894 28 L CB 1.115 42.810 42.059 -0.607 0.000 1.275 28 L HN 0.569 nan 8.230 nan 0.000 0.432 29 P HA -0.187 nan 4.420 nan 0.000 0.217 29 P C 1.294 178.433 177.300 -0.267 0.000 1.148 29 P CA 1.486 64.326 63.100 -0.433 0.000 0.828 29 P CB 0.379 32.063 31.700 -0.025 0.000 0.783 30 G N -0.836 107.814 108.800 -0.250 0.000 2.623 30 G HA2 -0.128 3.831 3.960 -0.001 0.000 0.214 30 G HA3 -0.128 3.831 3.960 -0.001 0.000 0.214 30 G C 1.614 176.383 174.900 -0.219 0.000 1.138 30 G CA 0.218 45.220 45.100 -0.163 0.000 0.794 30 G HN 0.212 nan 8.290 nan 0.000 0.535 31 Q N -0.748 118.839 119.800 -0.356 0.000 2.396 31 Q HA 0.125 4.464 4.340 -0.001 0.000 0.209 31 Q C 0.757 176.591 176.000 -0.277 0.000 0.906 31 Q CA 0.071 55.653 55.803 -0.368 0.000 0.927 31 Q CB 0.399 28.801 28.738 -0.559 0.000 1.069 31 Q HN 0.612 nan 8.270 nan 0.000 0.523 32 Q N 0.788 120.403 119.800 -0.307 0.000 2.468 32 Q HA -0.168 4.172 4.340 -0.001 0.000 0.289 32 Q C -1.021 174.932 176.000 -0.078 0.000 1.299 32 Q CA 0.624 56.348 55.803 -0.132 0.000 0.838 32 Q CB -1.248 27.482 28.738 -0.013 0.000 1.195 32 Q HN 0.360 nan 8.270 nan 0.000 0.456 33 S N -1.695 113.853 115.700 -0.253 0.000 2.579 33 S HA 0.843 5.312 4.470 -0.001 0.000 0.272 33 S C -0.521 173.971 174.600 -0.181 0.000 1.141 33 S CA -1.207 56.877 58.200 -0.193 0.000 0.843 33 S CB 1.739 64.779 63.200 -0.267 0.000 1.122 33 S HN 0.220 nan 8.310 nan 0.000 0.468 34 L N 1.149 122.267 121.223 -0.174 0.000 2.334 34 L HA 0.629 4.969 4.340 -0.001 0.000 0.272 34 L C -0.810 176.036 176.870 -0.040 0.000 1.020 34 L CA -0.965 53.856 54.840 -0.032 0.000 0.812 34 L CB 1.265 43.328 42.059 0.007 0.000 1.264 34 L HN 0.553 nan 8.230 nan 0.000 0.439 35 L N 2.373 123.674 121.223 0.130 0.000 2.342 35 L HA 0.566 4.905 4.340 -0.001 0.000 0.276 35 L C -0.227 176.709 176.870 0.110 0.000 0.997 35 L CA -0.482 54.396 54.840 0.063 0.000 0.838 35 L CB 1.706 43.808 42.059 0.072 0.000 1.224 35 L HN 0.695 nan 8.230 nan 0.000 0.416 36 A N 4.466 127.370 122.820 0.140 0.000 2.260 36 A HA 0.713 5.032 4.320 -0.001 0.000 0.312 36 A C -0.874 176.755 177.584 0.076 0.000 1.321 36 A CA -0.207 51.935 52.037 0.175 0.000 0.928 36 A CB -0.003 19.018 19.000 0.035 0.000 1.158 36 A HN 0.504 nan 8.150 nan 0.000 0.542 37 F N 1.562 121.694 119.950 0.304 0.000 2.432 37 F HA 0.752 5.278 4.527 -0.001 0.000 0.329 37 F C 0.668 176.516 175.800 0.080 0.000 1.076 37 F CA 0.159 58.280 58.000 0.202 0.000 1.018 37 F CB 2.187 41.286 39.000 0.164 0.000 1.201 37 F HN 0.754 nan 8.300 nan 0.000 0.489 38 A N 1.164 124.041 122.820 0.096 0.000 2.601 38 A HA 0.551 4.870 4.320 -0.001 0.000 0.291 38 A C -1.471 176.045 177.584 -0.115 0.000 1.075 38 A CA -0.882 51.066 52.037 -0.147 0.000 0.671 38 A CB 1.159 19.720 19.000 -0.733 0.000 1.277 38 A HN 0.695 nan 8.150 nan 0.000 0.417 39 E N 0.620 120.756 120.200 -0.107 0.000 2.227 39 E HA 0.325 4.674 4.350 -0.001 0.000 0.282 39 E C -0.609 175.859 176.600 -0.220 0.000 1.015 39 E CA -0.268 56.058 56.400 -0.122 0.000 0.823 39 E CB 1.307 30.948 29.700 -0.098 0.000 1.081 39 E HN 0.500 nan 8.360 nan 0.000 0.396 40 Q N 4.771 124.408 119.800 -0.271 0.000 2.509 40 Q HA 0.141 4.480 4.340 -0.001 0.000 0.236 40 Q C -0.848 174.915 176.000 -0.395 0.000 1.073 40 Q CA -0.616 54.876 55.803 -0.517 0.000 0.867 40 Q CB 0.323 28.811 28.738 -0.416 0.000 1.181 40 Q HN 0.384 nan 8.270 nan 0.000 0.526 41 R N 1.369 121.667 120.500 -0.337 0.000 2.500 41 R HA 0.461 4.801 4.340 -0.001 0.000 0.277 41 R C 0.383 176.645 176.300 -0.065 0.000 1.026 41 R CA -0.068 55.941 56.100 -0.153 0.000 1.058 41 R CB 0.815 31.055 30.300 -0.101 0.000 1.078 41 R HN 0.497 nan 8.270 nan 0.000 0.509 42 A N 0.654 123.475 122.820 0.002 0.000 2.235 42 A HA 0.008 4.328 4.320 -0.001 0.000 0.208 42 A C 0.523 178.075 177.584 -0.054 0.000 1.172 42 A CA 0.916 52.951 52.037 -0.003 0.000 0.786 42 A CB -0.250 18.690 19.000 -0.100 0.000 0.804 42 A HN 0.835 nan 8.150 nan 0.000 0.479 43 S N -2.576 113.130 115.700 0.011 0.000 2.645 43 S HA 0.287 4.756 4.470 -0.001 0.000 0.268 43 S C 0.116 174.742 174.600 0.043 0.000 1.110 43 S CA -0.221 58.011 58.200 0.052 0.000 0.823 43 S CB 0.166 63.465 63.200 0.164 0.000 1.091 43 S HN 0.118 nan 8.310 nan 0.000 0.466 44 K N 0.596 121.008 120.400 0.022 0.000 2.147 44 K HA 0.017 4.336 4.320 -0.001 0.000 0.205 44 K C 0.217 176.757 176.600 -0.101 0.000 1.049 44 K CA 0.875 57.136 56.287 -0.043 0.000 0.936 44 K CB -0.321 32.168 32.500 -0.018 0.000 0.722 44 K HN 0.430 nan 8.250 nan 0.000 0.446 45 K N 1.962 122.325 120.400 -0.062 0.000 2.484 45 K HA -0.063 4.256 4.320 -0.001 0.000 0.280 45 K C 0.172 176.658 176.600 -0.189 0.000 1.013 45 K CA -0.174 56.014 56.287 -0.166 0.000 1.029 45 K CB 0.620 32.959 32.500 -0.268 0.000 0.902 45 K HN 0.021 nan 8.250 nan 0.000 0.481 46 D N 2.913 123.197 120.400 -0.193 0.000 2.160 46 D HA -0.238 4.402 4.640 -0.001 0.000 0.189 46 D C 1.533 177.749 176.300 -0.139 0.000 1.003 46 D CA 1.638 55.545 54.000 -0.155 0.000 0.846 46 D CB -0.006 40.713 40.800 -0.135 0.000 0.949 46 D HN 0.651 nan 8.370 nan 0.000 0.446 47 E N 0.355 120.434 120.200 -0.201 0.000 2.394 47 E HA -0.235 4.114 4.350 -0.001 0.000 0.202 47 E C 0.617 177.157 176.600 -0.100 0.000 1.029 47 E CA 1.105 57.394 56.400 -0.185 0.000 0.855 47 E CB -1.020 28.524 29.700 -0.261 0.000 0.770 47 E HN 0.634 nan 8.360 nan 0.000 0.527 48 H N 0.055 119.090 119.070 -0.058 0.000 2.487 48 H HA 0.469 5.025 4.556 -0.001 0.000 0.290 48 H C 0.447 175.735 175.328 -0.068 0.000 1.081 48 H CA -0.377 55.638 56.048 -0.055 0.000 1.116 48 H CB 0.659 30.389 29.762 -0.054 0.000 1.560 48 H HN 0.190 nan 8.280 nan 0.000 0.548 49 A N 0.810 123.648 122.820 0.030 0.000 2.386 49 A HA 0.181 4.500 4.320 -0.001 0.000 0.248 49 A C 0.495 178.067 177.584 -0.020 0.000 1.082 49 A CA -0.135 51.887 52.037 -0.025 0.000 0.789 49 A CB 0.759 19.738 19.000 -0.036 0.000 1.025 49 A HN 0.596 nan 8.150 nan 0.000 0.490 50 E N 0.429 120.591 120.200 -0.062 0.000 3.863 50 E HA 0.336 4.685 4.350 -0.001 0.000 0.197 50 E C -0.559 175.991 176.600 -0.083 0.000 1.299 50 E CA -0.299 56.065 56.400 -0.061 0.000 1.522 50 E CB 0.156 29.806 29.700 -0.083 0.000 1.732 50 E HN 0.558 nan 8.360 nan 0.000 0.560 51 L N 1.161 122.303 121.223 -0.135 0.000 2.283 51 L HA 0.572 4.911 4.340 -0.001 0.000 0.259 51 L C -0.720 176.055 176.870 -0.159 0.000 1.027 51 L CA -1.026 53.723 54.840 -0.152 0.000 0.828 51 L CB 2.097 44.068 42.059 -0.147 0.000 1.380 51 L HN 0.052 nan 8.230 nan 0.000 0.425 52 I N 1.554 122.019 120.570 -0.175 0.000 2.359 52 I HA 0.379 4.548 4.170 -0.001 0.000 0.294 52 I C -0.192 175.897 176.117 -0.047 0.000 0.987 52 I CA -0.821 60.405 61.300 -0.123 0.000 1.225 52 I CB 1.896 39.785 38.000 -0.185 0.000 1.366 52 I HN 0.270 nan 8.210 nan 0.000 0.466 53 V N 4.724 124.647 119.914 0.015 0.000 2.966 53 V HA 0.740 4.859 4.120 -0.001 0.000 0.317 53 V C -0.718 175.476 176.094 0.166 0.000 1.070 53 V CA -0.739 61.617 62.300 0.093 0.000 1.008 53 V CB 1.988 33.900 31.823 0.149 0.000 1.070 53 V HN 0.601 nan 8.190 nan 0.000 0.457 54 L N 1.818 123.152 121.223 0.184 0.000 2.424 54 L HA 0.816 5.155 4.340 -0.001 0.000 0.258 54 L C -0.698 176.240 176.870 0.114 0.000 0.995 54 L CA -0.481 54.406 54.840 0.079 0.000 0.821 54 L CB 2.302 44.354 42.059 -0.011 0.000 1.383 54 L HN 0.882 nan 8.230 nan 0.000 0.410 55 R N 2.685 123.218 120.500 0.054 0.000 2.564 55 R HA 0.500 4.839 4.340 -0.001 0.000 0.284 55 R C -1.351 175.048 176.300 0.163 0.000 1.031 55 R CA -0.909 55.238 56.100 0.077 0.000 0.904 55 R CB 2.513 32.776 30.300 -0.062 0.000 1.199 55 R HN 0.664 nan 8.270 nan 0.000 0.443 56 R N 1.080 121.640 120.500 0.100 0.000 2.312 56 R HA 0.479 4.818 4.340 -0.001 0.000 0.311 56 R C -0.622 175.559 176.300 -0.199 0.000 1.004 56 R CA -0.299 55.786 56.100 -0.024 0.000 0.902 56 R CB 1.433 31.685 30.300 -0.080 0.000 1.073 56 R HN 0.774 nan 8.270 nan 0.000 0.457 57 G N 3.002 111.371 108.800 -0.718 0.000 2.478 57 G HA2 0.284 4.243 3.960 -0.001 0.000 0.317 57 G HA3 0.284 4.243 3.960 -0.001 0.000 0.317 57 G C -1.264 173.127 174.900 -0.850 0.000 1.259 57 G CA -0.533 43.653 45.100 -1.523 0.000 0.933 57 G HN 0.623 nan 8.290 nan 0.000 0.478 58 D N 0.844 120.889 120.400 -0.593 0.000 2.308 58 D HA 0.163 4.802 4.640 -0.001 0.000 0.242 58 D C -0.807 175.343 176.300 -0.250 0.000 1.059 58 D CA -0.213 53.587 54.000 -0.333 0.000 0.830 58 D CB 2.213 42.868 40.800 -0.241 0.000 1.161 58 D HN 0.406 nan 8.370 nan 0.000 0.494 59 Y N 1.835 121.997 120.300 -0.230 0.000 2.496 59 Y HA 0.084 4.634 4.550 -0.001 0.000 0.334 59 Y C 0.001 175.846 175.900 -0.091 0.000 1.080 59 Y CA -0.159 57.863 58.100 -0.129 0.000 1.355 59 Y CB 0.589 39.029 38.460 -0.032 0.000 1.193 59 Y HN 0.230 nan 8.280 nan 0.000 0.523 60 D N 4.815 124.868 120.400 -0.578 0.000 2.317 60 D HA 0.397 5.036 4.640 -0.001 0.000 0.234 60 D C 0.465 176.425 176.300 -0.567 0.000 1.112 60 D CA 0.236 53.992 54.000 -0.406 0.000 0.840 60 D CB 1.494 42.112 40.800 -0.304 0.000 1.078 60 D HN 0.707 nan 8.370 nan 0.000 0.486 61 A N 5.005 127.724 122.820 -0.169 0.000 1.897 61 A HA 0.061 4.381 4.320 -0.001 0.000 0.215 61 A C -0.417 177.173 177.584 0.011 0.000 1.181 61 A CA 0.690 52.752 52.037 0.043 0.000 0.620 61 A CB -1.223 17.881 19.000 0.174 0.000 0.821 61 A HN 0.587 nan 8.150 nan 0.000 0.443 62 P HA -0.161 nan 4.420 nan 0.000 0.215 62 P C 1.475 178.780 177.300 0.008 0.000 1.157 62 P CA 2.301 65.398 63.100 -0.005 0.000 0.874 62 P CB -0.186 31.495 31.700 -0.032 0.000 0.790 63 T N -4.496 110.000 114.554 -0.098 0.000 3.069 63 T HA 0.009 4.358 4.350 -0.001 0.000 0.252 63 T C 0.515 174.907 174.700 -0.514 0.000 1.053 63 T CA -0.202 61.768 62.100 -0.216 0.000 0.964 63 T CB -1.184 67.538 68.868 -0.243 0.000 1.005 63 T HN 0.388 nan 8.240 nan 0.000 0.532 64 H N 1.261 120.203 119.070 -0.214 0.000 2.496 64 H HA -0.132 4.423 4.556 -0.001 0.000 0.323 64 H C -1.229 173.963 175.328 -0.225 0.000 1.054 64 H CA 0.536 56.435 56.048 -0.248 0.000 1.095 64 H CB -2.394 27.384 29.762 0.027 0.000 1.595 64 H HN 0.492 nan 8.280 nan 0.000 0.388 65 Q N 0.183 119.706 119.800 -0.460 0.000 2.456 65 Q HA 0.628 4.967 4.340 -0.001 0.000 0.284 65 Q C -0.429 175.407 176.000 -0.273 0.000 1.061 65 Q CA -0.982 54.678 55.803 -0.240 0.000 0.799 65 Q CB 3.146 31.757 28.738 -0.211 0.000 1.445 65 Q HN 0.214 nan 8.270 nan 0.000 0.411 66 V N 1.502 121.385 119.914 -0.052 0.000 2.384 66 V HA 0.309 4.429 4.120 -0.001 0.000 0.287 66 V C -0.307 175.629 176.094 -0.263 0.000 1.020 66 V CA -0.564 61.617 62.300 -0.198 0.000 0.850 66 V CB 1.656 33.362 31.823 -0.195 0.000 0.987 66 V HN 0.599 nan 8.190 nan 0.000 0.436 67 Q N 3.774 123.363 119.800 -0.352 0.000 2.340 67 Q HA 0.333 4.672 4.340 -0.001 0.000 0.259 67 Q C -1.557 174.225 176.000 -0.362 0.000 0.964 67 Q CA -0.565 55.099 55.803 -0.231 0.000 0.900 67 Q CB 1.059 29.703 28.738 -0.158 0.000 1.228 67 Q HN 0.720 nan 8.270 nan 0.000 0.449 68 W N 2.545 123.750 121.300 -0.159 0.000 2.381 68 W HA 0.302 4.961 4.660 -0.001 0.000 0.329 68 W C 0.160 176.588 176.519 -0.152 0.000 1.157 68 W CA -0.411 56.822 57.345 -0.187 0.000 1.240 68 W CB 0.797 30.106 29.460 -0.252 0.000 1.199 68 W HN 0.490 nan 8.180 nan 0.000 0.579 69 Q N 1.658 121.504 119.800 0.076 0.000 2.180 69 Q HA 0.675 5.015 4.340 -0.001 0.000 0.241 69 Q C -0.027 175.983 176.000 0.017 0.000 0.970 69 Q CA -1.142 54.672 55.803 0.018 0.000 0.919 69 Q CB 1.003 29.733 28.738 -0.014 0.000 1.222 69 Q HN 0.561 nan 8.270 nan 0.000 0.482 70 A N 1.536 124.356 122.820 -0.001 0.000 2.565 70 A HA -0.034 4.286 4.320 -0.001 0.000 0.237 70 A C 0.165 177.752 177.584 0.004 0.000 1.053 70 A CA 0.015 52.046 52.037 -0.009 0.000 0.755 70 A CB -0.146 18.855 19.000 0.001 0.000 0.980 70 A HN 0.679 nan 8.150 nan 0.000 0.506 71 Q N 1.910 121.706 119.800 -0.008 0.000 2.337 71 Q HA 0.343 4.682 4.340 -0.001 0.000 0.270 71 Q C -0.205 175.845 176.000 0.083 0.000 1.002 71 Q CA 0.328 56.160 55.803 0.049 0.000 0.888 71 Q CB 0.454 29.241 28.738 0.082 0.000 1.222 71 Q HN 0.792 nan 8.270 nan 0.000 0.400 72 E N 1.037 121.302 120.200 0.108 0.000 2.369 72 E HA 0.541 4.890 4.350 -0.001 0.000 0.270 72 E C -1.330 175.334 176.600 0.106 0.000 0.909 72 E CA -1.158 55.302 56.400 0.100 0.000 0.775 72 E CB 1.742 31.500 29.700 0.097 0.000 1.270 72 E HN 0.408 nan 8.360 nan 0.000 0.445 73 V N 1.833 121.792 119.914 0.075 0.000 2.465 73 V HA 0.094 4.213 4.120 -0.001 0.000 0.279 73 V C 0.173 176.279 176.094 0.020 0.000 1.045 73 V CA -0.795 61.524 62.300 0.033 0.000 0.938 73 V CB 1.490 33.311 31.823 -0.004 0.000 0.986 73 V HN 0.592 nan 8.190 nan 0.000 0.467 74 V N 5.901 125.785 119.914 -0.051 0.000 2.054 74 V HA 0.075 4.194 4.120 -0.001 0.000 0.243 74 V C 1.629 177.600 176.094 -0.206 0.000 1.480 74 V CA 0.723 62.914 62.300 -0.181 0.000 1.440 74 V CB -0.541 30.990 31.823 -0.488 0.000 1.489 74 V HN 1.107 nan 8.190 nan 0.000 0.502 75 A N 3.111 125.890 122.820 -0.068 0.000 1.896 75 A HA -0.276 4.043 4.320 -0.001 0.000 0.220 75 A C 2.134 179.668 177.584 -0.083 0.000 1.206 75 A CA 1.862 53.867 52.037 -0.055 0.000 0.647 75 A CB -0.342 18.664 19.000 0.010 0.000 0.828 75 A HN 0.628 nan 8.150 nan 0.000 0.455 76 Q N -0.660 119.108 119.800 -0.055 0.000 2.291 76 Q HA -0.032 4.307 4.340 -0.001 0.000 0.206 76 Q C 1.321 177.242 176.000 -0.131 0.000 0.976 76 Q CA 0.989 56.772 55.803 -0.033 0.000 0.875 76 Q CB -0.703 28.078 28.738 0.073 0.000 0.927 76 Q HN 0.646 nan 8.270 nan 0.000 0.450 77 A N 2.182 124.786 122.820 -0.359 0.000 3.037 77 A HA 0.304 4.623 4.320 -0.001 0.000 0.272 77 A C 0.052 177.206 177.584 -0.718 0.000 1.723 77 A CA -0.226 51.365 52.037 -0.743 0.000 1.413 77 A CB -0.825 17.521 19.000 -1.090 0.000 1.112 77 A HN 0.329 nan 8.150 nan 0.000 0.606 78 R N -0.297 120.093 120.500 -0.182 0.000 2.824 78 R HA 0.541 4.880 4.340 -0.001 0.000 0.267 78 R C -2.130 174.246 176.300 0.127 0.000 1.035 78 R CA -0.863 55.254 56.100 0.030 0.000 0.887 78 R CB 0.525 30.793 30.300 -0.054 0.000 1.262 78 R HN 0.128 nan 8.270 nan 0.000 0.487 79 L N 1.667 122.966 121.223 0.127 0.000 2.329 79 L HA 0.408 4.747 4.340 -0.001 0.000 0.279 79 L C -0.140 176.809 176.870 0.131 0.000 1.014 79 L CA -1.128 53.734 54.840 0.037 0.000 0.814 79 L CB 1.777 43.704 42.059 -0.220 0.000 1.257 79 L HN 0.725 nan 8.230 nan 0.000 0.424 80 D N 2.054 122.530 120.400 0.125 0.000 2.658 80 D HA -0.023 4.616 4.640 -0.001 0.000 0.230 80 D C 1.182 177.635 176.300 0.255 0.000 1.118 80 D CA 1.843 55.932 54.000 0.148 0.000 0.848 80 D CB 0.995 41.858 40.800 0.105 0.000 1.160 80 D HN 0.862 nan 8.370 nan 0.000 0.497 81 G N 3.145 112.034 108.800 0.150 0.000 2.245 81 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.264 81 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.264 81 G C 0.201 175.107 174.900 0.011 0.000 0.985 81 G CA 0.851 45.990 45.100 0.066 0.000 0.625 81 G HN 0.715 nan 8.290 nan 0.000 0.536 82 H N 0.153 119.245 119.070 0.036 0.000 2.533 82 H HA 0.713 5.268 4.556 -0.001 0.000 0.343 82 H C 0.744 176.095 175.328 0.039 0.000 1.160 82 H CA -0.400 55.672 56.048 0.041 0.000 1.218 82 H CB 0.756 30.552 29.762 0.057 0.000 1.566 82 H HN 0.571 nan 8.280 nan 0.000 0.522 83 R N 0.800 121.396 120.500 0.160 0.000 2.407 83 R HA 0.631 4.971 4.340 -0.001 0.000 0.303 83 R C -0.882 175.482 176.300 0.107 0.000 0.981 83 R CA -0.776 55.377 56.100 0.089 0.000 0.905 83 R CB 1.014 31.341 30.300 0.046 0.000 1.099 83 R HN 0.387 nan 8.270 nan 0.000 0.459 84 S N 4.206 119.947 115.700 0.068 0.000 2.554 84 S HA 0.564 5.034 4.470 -0.001 0.000 0.278 84 S C 0.110 174.740 174.600 0.051 0.000 1.242 84 S CA -0.756 57.507 58.200 0.105 0.000 1.051 84 S CB 0.979 64.143 63.200 -0.060 0.000 0.986 84 S HN 0.701 nan 8.310 nan 0.000 0.502 85 M N 0.706 120.371 119.600 0.109 0.000 2.643 85 M HA 0.598 5.078 4.480 -0.001 0.000 0.276 85 M C -1.654 174.706 176.300 0.098 0.000 1.200 85 M CA -0.836 54.498 55.300 0.058 0.000 0.863 85 M CB 1.229 33.841 32.600 0.021 0.000 1.711 85 M HN 0.427 nan 8.290 nan 0.000 0.492 86 N N 0.833 119.584 118.700 0.084 0.000 2.411 86 N HA -0.067 4.672 4.740 -0.001 0.000 0.286 86 N C -2.865 172.722 175.510 0.128 0.000 1.382 86 N CA 0.689 53.807 53.050 0.114 0.000 0.630 86 N CB -0.655 37.896 38.487 0.107 0.000 0.904 86 N HN 0.598 nan 8.380 nan 0.000 0.516 87 P HA 0.343 nan 4.420 nan 0.000 0.288 87 P C -0.588 176.755 177.300 0.072 0.000 1.267 87 P CA -0.314 62.811 63.100 0.042 0.000 0.815 87 P CB 1.102 32.780 31.700 -0.037 0.000 0.989 88 C N 5.120 124.468 119.300 0.081 0.000 2.978 88 C HA 0.331 4.790 4.460 -0.001 0.000 0.274 88 C C -2.306 172.808 174.990 0.207 0.000 1.087 88 C CA -1.465 57.657 59.018 0.174 0.000 1.453 88 C CB 1.113 28.988 27.740 0.224 0.000 1.838 88 C HN 0.486 nan 8.230 nan 0.000 0.470 89 P HA 0.542 nan 4.420 nan 0.000 0.282 89 P C -1.021 176.493 177.300 0.358 0.000 1.249 89 P CA -0.160 63.015 63.100 0.124 0.000 0.806 89 P CB 2.067 33.780 31.700 0.020 0.000 0.984 90 L N 3.437 124.917 121.223 0.428 0.000 2.506 90 L HA 0.563 4.902 4.340 -0.001 0.000 0.257 90 L C -2.116 175.078 176.870 0.539 0.000 0.964 90 L CA -1.190 53.940 54.840 0.483 0.000 0.836 90 L CB 1.921 44.280 42.059 0.499 0.000 1.384 90 L HN 0.304 nan 8.230 nan 0.000 0.410 91 Y N 2.961 123.482 120.300 0.369 0.000 2.331 91 Y HA 0.455 5.004 4.550 -0.001 0.000 0.334 91 Y C -0.651 175.429 175.900 0.299 0.000 0.960 91 Y CA -0.647 57.640 58.100 0.312 0.000 1.130 91 Y CB 1.200 39.806 38.460 0.242 0.000 1.164 91 Y HN 0.715 nan 8.280 nan 0.000 0.458 92 D N 5.467 125.673 120.400 -0.323 0.000 2.435 92 D HA 0.206 4.845 4.640 -0.001 0.000 0.230 92 D C 1.062 177.125 176.300 -0.396 0.000 1.215 92 D CA 0.635 54.545 54.000 -0.150 0.000 0.947 92 D CB 1.112 41.960 40.800 0.080 0.000 1.048 92 D HN 0.880 nan 8.370 nan 0.000 0.512 93 A N 4.126 126.899 122.820 -0.077 0.000 1.940 93 A HA -0.293 4.026 4.320 -0.001 0.000 0.221 93 A C 1.961 179.573 177.584 0.046 0.000 1.190 93 A CA 1.670 53.780 52.037 0.122 0.000 0.647 93 A CB -0.262 18.860 19.000 0.204 0.000 0.821 93 A HN 0.682 nan 8.150 nan 0.000 0.457 94 Q N -1.665 118.132 119.800 -0.005 0.000 2.062 94 Q HA -0.079 4.260 4.340 -0.001 0.000 0.196 94 Q C 2.217 178.140 176.000 -0.128 0.000 0.967 94 Q CA 1.716 57.492 55.803 -0.045 0.000 0.832 94 Q CB -0.235 28.478 28.738 -0.042 0.000 0.899 94 Q HN 0.882 nan 8.270 nan 0.000 0.442 95 T N -3.252 111.179 114.554 -0.205 0.000 3.100 95 T HA 0.194 4.543 4.350 -0.001 0.000 0.253 95 T C 1.399 175.988 174.700 -0.185 0.000 1.118 95 T CA 0.517 62.492 62.100 -0.207 0.000 1.058 95 T CB 0.262 68.998 68.868 -0.219 0.000 0.953 95 T HN 0.453 nan 8.240 nan 0.000 0.515 96 G N 1.403 110.064 108.800 -0.231 0.000 2.180 96 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.263 96 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.263 96 G C 0.167 174.883 174.900 -0.305 0.000 0.989 96 G CA 0.563 45.544 45.100 -0.198 0.000 0.692 96 G HN 0.700 nan 8.290 nan 0.000 0.526 97 T N 0.638 114.962 114.554 -0.383 0.000 2.856 97 T HA 0.533 4.882 4.350 -0.001 0.000 0.292 97 T C 0.346 174.805 174.700 -0.401 0.000 0.980 97 T CA -0.306 61.566 62.100 -0.380 0.000 1.091 97 T CB 2.042 70.662 68.868 -0.412 0.000 0.936 97 T HN 0.342 nan 8.240 nan 0.000 0.503 98 L N 4.030 125.091 121.223 -0.271 0.000 2.282 98 L HA 0.575 4.915 4.340 -0.001 0.000 0.288 98 L C -1.327 175.492 176.870 -0.086 0.000 1.033 98 L CA -0.760 54.095 54.840 0.025 0.000 0.807 98 L CB 0.478 42.598 42.059 0.103 0.000 1.209 98 L HN 0.565 nan 8.230 nan 0.000 0.423 99 F N 5.018 125.066 119.950 0.163 0.000 2.469 99 F HA 0.473 5.000 4.527 -0.001 0.000 0.332 99 F C -0.273 175.486 175.800 -0.069 0.000 1.103 99 F CA -0.586 57.399 58.000 -0.025 0.000 0.979 99 F CB 1.883 40.729 39.000 -0.258 0.000 1.137 99 F HN 0.257 nan 8.300 nan 0.000 0.463 100 L N 4.676 125.884 121.223 -0.025 0.000 2.372 100 L HA 0.586 4.925 4.340 -0.001 0.000 0.273 100 L C -1.768 174.987 176.870 -0.191 0.000 0.989 100 L CA -0.353 54.364 54.840 -0.205 0.000 0.841 100 L CB 0.363 42.124 42.059 -0.497 0.000 1.225 100 L HN 0.326 nan 8.230 nan 0.000 0.414 101 F N 6.083 126.089 119.950 0.094 0.000 2.421 101 F HA 0.703 5.230 4.527 -0.001 0.000 0.337 101 F C 0.038 175.903 175.800 0.109 0.000 1.105 101 F CA -0.373 57.645 58.000 0.031 0.000 1.049 101 F CB 1.205 40.144 39.000 -0.101 0.000 1.139 101 F HN 0.445 nan 8.300 nan 0.000 0.479 102 F N 0.972 120.951 119.950 0.049 0.000 2.692 102 F HA 0.823 5.349 4.527 -0.001 0.000 0.320 102 F C -1.906 173.882 175.800 -0.020 0.000 1.123 102 F CA -1.522 56.467 58.000 -0.017 0.000 0.961 102 F CB 1.125 40.078 39.000 -0.078 0.000 1.383 102 F HN 0.144 nan 8.300 nan 0.000 0.483 103 I N 1.877 122.484 120.570 0.061 0.000 2.406 103 I HA 0.712 4.881 4.170 -0.001 0.000 0.290 103 I C -0.669 175.472 176.117 0.041 0.000 0.999 103 I CA -0.960 60.288 61.300 -0.086 0.000 1.124 103 I CB 1.475 39.386 38.000 -0.148 0.000 1.289 103 I HN 0.889 nan 8.210 nan 0.000 0.441 104 A N 8.057 130.863 122.820 -0.022 0.000 2.288 104 A HA 0.838 5.157 4.320 -0.001 0.000 0.320 104 A C -0.702 176.969 177.584 0.146 0.000 1.217 104 A CA -0.405 51.686 52.037 0.091 0.000 0.840 104 A CB 0.355 19.344 19.000 -0.018 0.000 1.179 104 A HN 0.607 nan 8.150 nan 0.000 0.504 105 I N 3.439 124.130 120.570 0.202 0.000 2.498 105 I HA 0.317 4.486 4.170 -0.001 0.000 0.290 105 I C -2.483 173.707 176.117 0.122 0.000 1.032 105 I CA -2.404 59.003 61.300 0.178 0.000 1.073 105 I CB 2.655 40.687 38.000 0.054 0.000 1.251 105 I HN 0.397 nan 8.210 nan 0.000 0.426 106 P HA 0.017 nan 4.420 nan 0.000 0.266 106 P C 0.714 177.935 177.300 -0.131 0.000 1.193 106 P CA 0.652 63.558 63.100 -0.323 0.000 0.770 106 P CB 0.481 32.005 31.700 -0.292 0.000 0.836 107 G N 3.240 111.962 108.800 -0.130 0.000 2.616 107 G HA2 -0.334 3.626 3.960 -0.001 0.000 0.361 107 G HA3 -0.334 3.626 3.960 -0.001 0.000 0.361 107 G C 0.147 175.036 174.900 -0.019 0.000 1.361 107 G CA 0.342 45.409 45.100 -0.054 0.000 0.969 107 G HN 0.625 nan 8.290 nan 0.000 0.528 108 Q N -0.486 119.310 119.800 -0.006 0.000 2.201 108 Q HA 0.410 4.749 4.340 -0.001 0.000 0.236 108 Q C 0.306 176.295 176.000 -0.019 0.000 0.857 108 Q CA -0.424 55.383 55.803 0.006 0.000 1.025 108 Q CB 0.937 29.701 28.738 0.044 0.000 1.124 108 Q HN 0.368 nan 8.270 nan 0.000 0.473 109 V N 2.633 122.532 119.914 -0.025 0.000 2.617 109 V HA -0.061 4.058 4.120 -0.001 0.000 0.304 109 V C 1.141 177.214 176.094 -0.036 0.000 1.040 109 V CA 0.497 62.779 62.300 -0.029 0.000 1.149 109 V CB 0.146 31.954 31.823 -0.024 0.000 0.914 109 V HN 0.429 nan 8.190 nan 0.000 0.487 110 T N 1.349 115.876 114.554 -0.046 0.000 2.770 110 T HA 0.222 4.571 4.350 -0.001 0.000 0.281 110 T C 0.982 175.649 174.700 -0.056 0.000 0.981 110 T CA -0.019 62.046 62.100 -0.058 0.000 0.955 110 T CB 1.207 70.034 68.868 -0.068 0.000 1.060 110 T HN 0.759 nan 8.240 nan 0.000 0.531 111 E N -0.515 119.647 120.200 -0.064 0.000 2.170 111 E HA -0.120 4.230 4.350 -0.001 0.000 0.191 111 E C 2.100 178.634 176.600 -0.110 0.000 0.981 111 E CA 0.336 56.691 56.400 -0.076 0.000 0.830 111 E CB -0.056 29.610 29.700 -0.055 0.000 0.775 111 E HN 0.658 nan 8.360 nan 0.000 0.470 112 Q N 1.123 120.865 119.800 -0.096 0.000 2.096 112 Q HA -0.221 4.118 4.340 -0.001 0.000 0.204 112 Q C 1.908 177.854 176.000 -0.089 0.000 0.982 112 Q CA 1.976 57.719 55.803 -0.101 0.000 0.850 112 Q CB -0.116 28.577 28.738 -0.075 0.000 0.901 112 Q HN 0.348 nan 8.270 nan 0.000 0.422 113 Q N -0.561 119.198 119.800 -0.068 0.000 2.084 113 Q HA -0.179 4.160 4.340 -0.001 0.000 0.202 113 Q C 2.199 178.168 176.000 -0.050 0.000 0.978 113 Q CA 1.641 57.413 55.803 -0.052 0.000 0.844 113 Q CB -0.050 28.665 28.738 -0.039 0.000 0.898 113 Q HN 0.541 nan 8.270 nan 0.000 0.426 114 Q N -0.020 119.747 119.800 -0.055 0.000 2.291 114 Q HA -0.114 4.225 4.340 -0.001 0.000 0.206 114 Q C 1.955 177.915 176.000 -0.067 0.000 0.976 114 Q CA 0.762 56.538 55.803 -0.044 0.000 0.875 114 Q CB 0.086 28.805 28.738 -0.033 0.000 0.927 114 Q HN 0.388 nan 8.270 nan 0.000 0.450 115 L N 0.113 121.267 121.223 -0.116 0.000 2.022 115 L HA -0.137 4.203 4.340 -0.001 0.000 0.204 115 L C 2.104 178.921 176.870 -0.087 0.000 1.076 115 L CA 1.114 55.862 54.840 -0.153 0.000 0.749 115 L CB -0.371 41.535 42.059 -0.256 0.000 0.903 115 L HN 0.167 nan 8.230 nan 0.000 0.439 116 E N -0.422 119.733 120.200 -0.074 0.000 2.171 116 E HA -0.204 4.145 4.350 -0.001 0.000 0.197 116 E C 1.785 178.367 176.600 -0.030 0.000 0.997 116 E CA 1.766 58.138 56.400 -0.047 0.000 0.810 116 E CB -0.111 29.564 29.700 -0.042 0.000 0.738 116 E HN 0.444 nan 8.360 nan 0.000 0.467 117 T N -0.544 113.993 114.554 -0.028 0.000 3.065 117 T HA 0.109 4.458 4.350 -0.001 0.000 0.252 117 T C 0.420 175.115 174.700 -0.009 0.000 1.099 117 T CA -0.085 62.006 62.100 -0.015 0.000 1.063 117 T CB 0.161 69.022 68.868 -0.012 0.000 0.948 117 T HN 0.137 nan 8.240 nan 0.000 0.506 118 R N -0.033 120.459 120.500 -0.014 0.000 3.875 118 R HA -0.158 4.182 4.340 -0.001 0.000 0.321 118 R C -0.108 176.193 176.300 0.001 0.000 1.196 118 R CA 0.500 56.600 56.100 0.001 0.000 0.868 118 R CB -1.984 28.322 30.300 0.011 0.000 1.333 118 R HN 0.432 nan 8.270 nan 0.000 0.522 119 A N 1.317 124.134 122.820 -0.005 0.000 2.273 119 A HA 0.372 4.691 4.320 -0.001 0.000 0.320 119 A C -0.109 177.473 177.584 -0.002 0.000 1.358 119 A CA -0.574 51.462 52.037 -0.001 0.000 0.910 119 A CB 0.574 19.579 19.000 0.009 0.000 1.159 119 A HN 0.216 nan 8.150 nan 0.000 0.526 120 N N 2.209 120.887 118.700 -0.037 0.000 2.488 120 N HA 0.266 5.005 4.740 -0.001 0.000 0.274 120 N C 0.278 175.813 175.510 0.042 0.000 1.111 120 N CA 0.329 53.344 53.050 -0.059 0.000 0.974 120 N CB 1.480 39.790 38.487 -0.294 0.000 1.089 120 N HN 0.751 nan 8.380 nan 0.000 0.465 121 V N -0.069 119.930 119.914 0.142 0.000 3.172 121 V HA 0.318 4.437 4.120 -0.001 0.000 0.343 121 V C 0.126 176.391 176.094 0.286 0.000 1.429 121 V CA -0.494 61.948 62.300 0.237 0.000 1.149 121 V CB -0.209 31.693 31.823 0.133 0.000 1.106 121 V HN 0.425 nan 8.190 nan 0.000 0.526 122 T N 3.716 118.463 114.554 0.322 0.000 2.771 122 T HA 0.528 4.878 4.350 -0.001 0.000 0.291 122 T C 0.015 174.980 174.700 0.443 0.000 0.954 122 T CA -0.245 61.987 62.100 0.220 0.000 1.045 122 T CB 1.030 69.797 68.868 -0.169 0.000 0.917 122 T HN 0.387 nan 8.240 nan 0.000 0.484 123 R N 2.146 122.780 120.500 0.223 0.000 2.428 123 R HA 0.457 4.796 4.340 -0.001 0.000 0.294 123 R C -0.748 175.616 176.300 0.107 0.000 1.000 123 R CA -1.014 55.181 56.100 0.159 0.000 0.960 123 R CB 1.473 31.739 30.300 -0.058 0.000 1.076 123 R HN 0.366 nan 8.270 nan 0.000 0.475 124 L N 2.752 124.042 121.223 0.113 0.000 2.265 124 L HA 0.350 4.689 4.340 -0.001 0.000 0.289 124 L C -1.012 175.686 176.870 -0.286 0.000 1.033 124 L CA -0.173 54.647 54.840 -0.034 0.000 0.814 124 L CB 0.698 42.728 42.059 -0.048 0.000 1.203 124 L HN 0.634 nan 8.230 nan 0.000 0.423 125 C N 3.746 122.719 119.300 -0.545 0.000 2.719 125 C HA 0.932 5.392 4.460 -0.001 0.000 0.327 125 C C -0.415 174.194 174.990 -0.636 0.000 1.238 125 C CA -0.675 57.894 59.018 -0.750 0.000 1.727 125 C CB 1.796 28.728 27.740 -1.347 0.000 2.256 125 C HN 0.885 nan 8.230 nan 0.000 0.489 126 Q N -0.007 119.638 119.800 -0.258 0.000 2.435 126 Q HA 0.879 5.218 4.340 -0.001 0.000 0.282 126 Q C -2.057 174.048 176.000 0.176 0.000 1.020 126 Q CA -0.644 55.166 55.803 0.011 0.000 0.820 126 Q CB 1.622 30.378 28.738 0.030 0.000 1.436 126 Q HN 0.457 nan 8.270 nan 0.000 0.395 127 V N 1.075 121.093 119.914 0.173 0.000 2.925 127 V HA 0.808 4.927 4.120 -0.001 0.000 0.311 127 V C -0.533 175.729 176.094 0.280 0.000 1.104 127 V CA -0.063 62.357 62.300 0.201 0.000 0.954 127 V CB 2.203 34.079 31.823 0.088 0.000 1.022 127 V HN 1.054 nan 8.190 nan 0.000 0.427 128 T N -0.352 114.366 114.554 0.272 0.000 2.930 128 T HA 0.857 5.206 4.350 -0.001 0.000 0.290 128 T C -0.521 174.197 174.700 0.030 0.000 1.052 128 T CA -0.802 61.335 62.100 0.062 0.000 1.017 128 T CB 1.946 70.636 68.868 -0.297 0.000 1.137 128 T HN 0.901 nan 8.240 nan 0.000 0.511 129 S N -0.455 115.060 115.700 -0.308 0.000 2.533 129 S HA 0.546 5.015 4.470 -0.001 0.000 0.271 129 S C 0.342 174.704 174.600 -0.396 0.000 1.143 129 S CA -0.125 57.781 58.200 -0.490 0.000 0.891 129 S CB 1.450 63.959 63.200 -1.151 0.000 1.105 129 S HN 1.159 nan 8.310 nan 0.000 0.468 130 T N -0.393 113.969 114.554 -0.320 0.000 3.044 130 T HA 0.242 4.591 4.350 -0.001 0.000 0.260 130 T C -0.078 174.436 174.700 -0.311 0.000 1.019 130 T CA 0.226 62.158 62.100 -0.279 0.000 0.921 130 T CB -0.384 68.364 68.868 -0.200 0.000 1.053 130 T HN 0.612 nan 8.240 nan 0.000 0.533 131 D N 0.662 120.873 120.400 -0.314 0.000 3.068 131 D HA 0.135 4.774 4.640 -0.001 0.000 0.327 131 D C 0.074 176.245 176.300 -0.214 0.000 1.361 131 D CA -0.890 52.961 54.000 -0.249 0.000 0.877 131 D CB -0.919 39.791 40.800 -0.150 0.000 1.088 131 D HN 0.263 nan 8.370 nan 0.000 0.489 132 H N 0.386 119.354 119.070 -0.170 0.000 2.731 132 H HA -0.180 4.375 4.556 -0.001 0.000 0.305 132 H C 1.416 176.607 175.328 -0.228 0.000 1.132 132 H CA 1.298 57.246 56.048 -0.168 0.000 1.148 132 H CB -1.406 28.271 29.762 -0.142 0.000 1.379 132 H HN 0.788 nan 8.280 nan 0.000 0.398 133 G N -0.404 108.150 108.800 -0.409 0.000 2.141 133 G HA2 -0.364 3.596 3.960 -0.001 0.000 0.231 133 G HA3 -0.364 3.596 3.960 -0.001 0.000 0.231 133 G C 1.032 175.742 174.900 -0.316 0.000 0.984 133 G CA 0.767 45.525 45.100 -0.570 0.000 0.660 133 G HN 0.615 nan 8.290 nan 0.000 0.525 134 R N 0.550 120.901 120.500 -0.249 0.000 2.093 134 R HA 0.149 4.488 4.340 -0.001 0.000 0.224 134 R C 1.035 177.277 176.300 -0.097 0.000 1.101 134 R CA 2.001 58.035 56.100 -0.110 0.000 0.979 134 R CB 0.011 30.262 30.300 -0.082 0.000 0.877 134 R HN 0.755 nan 8.270 nan 0.000 0.441 135 T N -2.330 112.104 114.554 -0.201 0.000 3.011 135 T HA 0.375 4.725 4.350 -0.001 0.000 0.303 135 T C -1.171 173.421 174.700 -0.180 0.000 0.997 135 T CA -0.933 61.111 62.100 -0.092 0.000 1.007 135 T CB 0.716 69.554 68.868 -0.050 0.000 1.017 135 T HN 0.189 nan 8.240 nan 0.000 0.443 136 W N 2.337 123.641 121.300 0.006 0.000 2.332 136 W HA 0.616 5.275 4.660 -0.001 0.000 0.351 136 W C 1.191 177.705 176.519 -0.008 0.000 1.195 136 W CA -0.499 56.845 57.345 -0.001 0.000 1.334 136 W CB 1.230 30.697 29.460 0.010 0.000 1.206 136 W HN 0.945 nan 8.180 nan 0.000 0.637 137 S N 0.056 115.913 115.700 0.262 0.000 2.640 137 S HA 0.375 4.844 4.470 -0.001 0.000 0.262 137 S C 0.189 174.881 174.600 0.153 0.000 1.232 137 S CA -0.835 57.452 58.200 0.146 0.000 0.988 137 S CB 0.843 64.104 63.200 0.101 0.000 1.034 137 S HN 0.412 nan 8.310 nan 0.000 0.569 138 S N 2.114 117.877 115.700 0.106 0.000 2.584 138 S HA 0.396 4.865 4.470 -0.001 0.000 0.273 138 S C -2.419 172.245 174.600 0.106 0.000 1.311 138 S CA -1.639 56.616 58.200 0.093 0.000 1.034 138 S CB -0.127 63.114 63.200 0.068 0.000 0.939 138 S HN 0.632 nan 8.310 nan 0.000 0.513 139 P HA 0.059 nan 4.420 nan 0.000 0.265 139 P C -1.002 176.353 177.300 0.093 0.000 1.193 139 P CA 0.042 63.230 63.100 0.147 0.000 0.765 139 P CB 0.261 32.068 31.700 0.178 0.000 0.823 140 R N 2.652 123.200 120.500 0.079 0.000 2.388 140 R HA 0.187 4.526 4.340 -0.001 0.000 0.314 140 R C -0.635 175.650 176.300 -0.026 0.000 0.959 140 R CA -0.597 55.528 56.100 0.043 0.000 0.851 140 R CB 0.664 31.016 30.300 0.087 0.000 1.168 140 R HN 0.350 nan 8.270 nan 0.000 0.472 141 D N 5.617 125.985 120.400 -0.052 0.000 2.344 141 D HA 0.039 4.678 4.640 -0.001 0.000 0.253 141 D C 0.880 177.122 176.300 -0.097 0.000 1.255 141 D CA -0.064 53.871 54.000 -0.108 0.000 0.894 141 D CB 0.911 41.649 40.800 -0.104 0.000 1.067 141 D HN 0.624 nan 8.370 nan 0.000 0.492 142 L N 2.814 123.952 121.223 -0.143 0.000 2.509 142 L HA -0.031 4.308 4.340 -0.001 0.000 0.222 142 L C 2.199 178.961 176.870 -0.180 0.000 1.123 142 L CA 0.066 54.810 54.840 -0.160 0.000 0.856 142 L CB -0.334 41.544 42.059 -0.302 0.000 0.985 142 L HN 0.335 nan 8.230 nan 0.000 0.456 143 T N 0.329 114.780 114.554 -0.171 0.000 2.594 143 T HA -0.289 4.061 4.350 -0.001 0.000 0.266 143 T C 1.271 175.855 174.700 -0.193 0.000 1.070 143 T CA 2.384 64.376 62.100 -0.181 0.000 1.166 143 T CB -0.323 68.418 68.868 -0.211 0.000 0.862 143 T HN 0.405 nan 8.240 nan 0.000 0.436 144 D N 1.058 121.358 120.400 -0.168 0.000 2.097 144 D HA 0.093 4.732 4.640 -0.001 0.000 0.197 144 D C 2.346 178.610 176.300 -0.060 0.000 0.984 144 D CA 1.163 55.086 54.000 -0.130 0.000 0.826 144 D CB -0.439 40.299 40.800 -0.103 0.000 0.973 144 D HN 0.432 nan 8.370 nan 0.000 0.460 145 A N 0.234 123.039 122.820 -0.024 0.000 2.015 145 A HA 0.121 4.440 4.320 -0.001 0.000 0.219 145 A C 2.091 179.728 177.584 0.090 0.000 1.163 145 A CA 1.829 53.894 52.037 0.047 0.000 0.646 145 A CB -0.407 18.650 19.000 0.095 0.000 0.806 145 A HN 0.252 nan 8.150 nan 0.000 0.448 146 A N -1.216 121.615 122.820 0.017 0.000 2.035 146 A HA 0.466 4.785 4.320 -0.001 0.000 0.208 146 A C 1.696 179.364 177.584 0.139 0.000 1.206 146 A CA 0.842 52.920 52.037 0.069 0.000 0.773 146 A CB -0.006 18.811 19.000 -0.306 0.000 0.878 146 A HN 0.400 nan 8.150 nan 0.000 0.469 147 I N -3.111 117.459 120.570 0.000 0.000 5.171 147 I HA 0.469 4.639 4.170 -0.001 0.000 0.240 147 I C 1.873 177.928 176.117 -0.104 0.000 0.879 147 I CA 0.311 61.581 61.300 -0.050 0.000 2.192 147 I CB -0.654 37.268 38.000 -0.129 0.000 1.482 147 I HN 0.428 nan 8.210 nan 0.000 0.484 148 G N 1.530 110.240 108.800 -0.150 0.000 2.609 148 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.288 148 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.288 148 G C -1.632 173.204 174.900 -0.107 0.000 1.211 148 G CA 0.303 45.330 45.100 -0.121 0.000 0.963 148 G HN 0.293 nan 8.290 nan 0.000 0.541 149 P HA -0.041 nan 4.420 nan 0.000 0.217 149 P C 1.926 179.110 177.300 -0.192 0.000 1.158 149 P CA 3.347 66.384 63.100 -0.105 0.000 0.887 149 P CB -0.294 31.363 31.700 -0.072 0.000 0.792 150 A N -3.107 119.517 122.820 -0.327 0.000 2.238 150 A HA -0.074 4.245 4.320 -0.001 0.000 0.208 150 A C 1.810 178.778 177.584 -1.027 0.000 1.177 150 A CA 0.223 51.860 52.037 -0.667 0.000 0.804 150 A CB -1.434 17.098 19.000 -0.779 0.000 0.823 150 A HN 0.109 nan 8.150 nan 0.000 0.482 151 Y N 1.335 121.228 120.300 -0.678 0.000 2.163 151 Y HA -0.202 4.347 4.550 -0.001 0.000 0.288 151 Y C 2.341 178.061 175.900 -0.299 0.000 1.136 151 Y CA 2.109 59.907 58.100 -0.503 0.000 1.147 151 Y CB -0.118 38.190 38.460 -0.254 0.000 0.987 151 Y HN 0.402 nan 8.280 nan 0.000 0.509 152 R N -0.062 120.335 120.500 -0.172 0.000 2.189 152 R HA -0.071 4.268 4.340 -0.001 0.000 0.218 152 R C 1.709 177.927 176.300 -0.137 0.000 1.074 152 R CA 1.341 57.366 56.100 -0.125 0.000 0.991 152 R CB -0.375 29.896 30.300 -0.048 0.000 0.883 152 R HN 0.435 nan 8.270 nan 0.000 0.457 153 E N -0.084 119.975 120.200 -0.234 0.000 2.418 153 E HA -0.078 4.271 4.350 -0.001 0.000 0.197 153 E C -0.272 176.413 176.600 0.142 0.000 1.026 153 E CA 0.384 56.718 56.400 -0.111 0.000 0.862 153 E CB 0.169 29.770 29.700 -0.165 0.000 0.799 153 E HN 0.233 nan 8.360 nan 0.000 0.518 154 W N 0.205 121.464 121.300 -0.068 0.000 2.689 154 W HA 0.195 4.854 4.660 -0.002 0.000 0.340 154 W C 1.211 177.702 176.519 -0.046 0.000 1.060 154 W CA -1.486 55.843 57.345 -0.027 0.000 1.218 154 W CB 0.822 30.290 29.460 0.012 0.000 1.410 154 W HN -0.156 nan 8.180 nan 0.000 0.528 155 S N -0.302 115.551 115.700 0.255 0.000 2.446 155 S HA 0.118 4.588 4.470 -0.001 0.000 0.225 155 S C 0.659 175.331 174.600 0.119 0.000 1.016 155 S CA 1.111 59.380 58.200 0.116 0.000 0.943 155 S CB 0.322 63.560 63.200 0.063 0.000 0.786 155 S HN 0.574 nan 8.310 nan 0.000 0.508 156 T N -0.254 114.455 114.554 0.257 0.000 2.663 156 T HA 0.530 4.879 4.350 -0.001 0.000 0.305 156 T C -2.046 172.917 174.700 0.439 0.000 1.660 156 T CA -0.563 61.701 62.100 0.274 0.000 0.976 156 T CB 0.566 69.480 68.868 0.077 0.000 1.705 156 T HN 0.696 nan 8.240 nan 0.000 0.494 157 F N -0.598 119.401 119.950 0.083 0.000 3.122 157 F HA 0.923 5.449 4.527 -0.001 0.000 0.325 157 F C -1.505 174.173 175.800 -0.203 0.000 1.162 157 F CA -0.570 57.360 58.000 -0.118 0.000 0.876 157 F CB 0.797 39.812 39.000 0.026 0.000 1.429 157 F HN 1.097 nan 8.300 nan 0.000 0.484 158 A N 0.429 123.018 122.820 -0.386 0.000 2.583 158 A HA 0.642 4.962 4.320 -0.001 0.000 0.292 158 A C -1.635 175.893 177.584 -0.094 0.000 1.045 158 A CA -0.310 51.526 52.037 -0.335 0.000 0.672 158 A CB 0.823 19.665 19.000 -0.264 0.000 1.283 158 A HN 2.032 nan 8.150 nan 0.000 0.419 159 V N 0.255 120.172 119.914 0.006 0.000 2.612 159 V HA 0.887 5.007 4.120 -0.001 0.000 0.301 159 V C 1.262 177.402 176.094 0.076 0.000 1.046 159 V CA 0.359 62.674 62.300 0.024 0.000 0.946 159 V CB 0.356 32.168 31.823 -0.018 0.000 1.003 159 V HN 2.915 nan 8.190 nan 0.000 0.459 160 G N 3.769 112.602 108.800 0.057 0.000 2.660 160 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.321 160 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.321 160 G C -1.776 173.216 174.900 0.153 0.000 1.246 160 G CA 0.464 45.617 45.100 0.088 0.000 1.000 160 G HN 1.003 nan 8.290 nan 0.000 0.550 161 P HA 0.527 nan 4.420 nan 0.000 0.276 161 P C 0.445 177.849 177.300 0.172 0.000 1.252 161 P CA 1.411 64.619 63.100 0.180 0.000 0.802 161 P CB 1.181 33.026 31.700 0.242 0.000 1.035 162 G N -0.300 108.624 108.800 0.206 0.000 2.354 162 G HA2 0.026 3.985 3.960 -0.001 0.000 0.582 162 G HA3 0.026 3.985 3.960 -0.001 0.000 0.582 162 G C -0.760 174.309 174.900 0.282 0.000 1.316 162 G CA -0.727 44.540 45.100 0.278 0.000 0.995 162 G HN 1.013 nan 8.290 nan 0.000 0.573 163 H N -0.670 118.544 119.070 0.240 0.000 2.815 163 H HA 0.559 5.114 4.556 -0.001 0.000 0.350 163 H C 0.896 176.365 175.328 0.235 0.000 1.080 163 H CA 0.492 56.699 56.048 0.264 0.000 1.433 163 H CB 0.010 29.950 29.762 0.296 0.000 1.432 163 H HN 0.700 nan 8.280 nan 0.000 0.592 164 C N 2.541 121.933 119.300 0.154 0.000 2.425 164 C HA 0.539 4.998 4.460 -0.001 0.000 0.330 164 C C 0.519 175.566 174.990 0.095 0.000 2.590 164 C CA -0.558 58.508 59.018 0.080 0.000 1.822 164 C CB 0.251 28.118 27.740 0.212 0.000 1.989 164 C HN 0.796 nan 8.230 nan 0.000 0.437 165 L N 0.746 122.050 121.223 0.135 0.000 2.493 165 L HA 0.431 4.770 4.340 -0.001 0.000 0.265 165 L C -0.859 176.111 176.870 0.165 0.000 0.954 165 L CA -0.006 54.933 54.840 0.166 0.000 0.844 165 L CB 1.477 43.610 42.059 0.123 0.000 1.302 165 L HN 0.790 nan 8.230 nan 0.000 0.405 166 Q N 4.158 124.071 119.800 0.187 0.000 2.293 166 Q HA 0.629 4.968 4.340 -0.001 0.000 0.261 166 Q C -1.425 174.654 176.000 0.131 0.000 0.960 166 Q CA -0.649 55.246 55.803 0.153 0.000 0.882 166 Q CB 1.408 30.255 28.738 0.181 0.000 1.275 166 Q HN 0.810 nan 8.270 nan 0.000 0.445 167 L N 3.318 124.597 121.223 0.093 0.000 2.439 167 L HA 0.285 4.625 4.340 -0.001 0.000 0.261 167 L C 0.247 177.166 176.870 0.082 0.000 1.153 167 L CA -0.242 54.649 54.840 0.084 0.000 0.808 167 L CB 0.724 42.820 42.059 0.060 0.000 1.126 167 L HN 0.793 nan 8.230 nan 0.000 0.460 168 N N -0.009 118.736 118.700 0.075 0.000 2.376 168 N HA 0.013 4.753 4.740 -0.001 0.000 0.249 168 N C -0.745 174.795 175.510 0.049 0.000 1.140 168 N CA -0.397 52.694 53.050 0.069 0.000 0.870 168 N CB 0.118 38.648 38.487 0.071 0.000 1.124 168 N HN 0.565 nan 8.380 nan 0.000 0.505 169 D N 0.074 120.499 120.400 0.043 0.000 2.414 169 D HA 0.019 4.658 4.640 -0.001 0.000 0.251 169 D C 0.897 177.210 176.300 0.021 0.000 1.252 169 D CA -0.390 53.626 54.000 0.026 0.000 0.999 169 D CB 0.776 41.590 40.800 0.023 0.000 1.093 169 D HN 0.041 nan 8.370 nan 0.000 0.515 170 R N -0.536 119.968 120.500 0.005 0.000 2.417 170 R HA 0.035 4.374 4.340 -0.001 0.000 0.220 170 R C 0.720 177.022 176.300 0.003 0.000 1.128 170 R CA 1.227 57.327 56.100 0.001 0.000 1.048 170 R CB -0.317 29.974 30.300 -0.016 0.000 0.835 170 R HN 0.483 nan 8.270 nan 0.000 0.483 171 A N 0.351 123.174 122.820 0.005 0.000 2.596 171 A HA 0.175 4.494 4.320 -0.001 0.000 0.276 171 A C -0.465 177.108 177.584 -0.019 0.000 0.962 171 A CA -0.665 51.367 52.037 -0.007 0.000 1.010 171 A CB 0.370 19.347 19.000 -0.039 0.000 1.220 171 A HN 0.156 nan 8.150 nan 0.000 0.549 172 R N 0.697 121.214 120.500 0.029 0.000 2.788 172 R HA -0.129 4.210 4.340 -0.001 0.000 0.258 172 R C -0.604 175.682 176.300 -0.023 0.000 0.895 172 R CA 0.959 57.090 56.100 0.052 0.000 0.702 172 R CB -1.878 28.503 30.300 0.135 0.000 1.661 172 R HN 0.516 nan 8.270 nan 0.000 0.520 173 S N 2.007 117.695 115.700 -0.020 0.000 2.646 173 S HA 0.555 5.024 4.470 -0.001 0.000 0.276 173 S C 0.733 175.288 174.600 -0.075 0.000 1.222 173 S CA -0.866 57.276 58.200 -0.097 0.000 1.014 173 S CB 1.447 64.620 63.200 -0.044 0.000 0.991 173 S HN 0.302 nan 8.310 nan 0.000 0.533 174 L N 2.206 123.330 121.223 -0.166 0.000 2.275 174 L HA 0.543 4.883 4.340 -0.001 0.000 0.288 174 L C -0.977 175.898 176.870 0.008 0.000 1.046 174 L CA -0.696 54.115 54.840 -0.048 0.000 0.805 174 L CB 0.928 42.939 42.059 -0.080 0.000 1.193 174 L HN 0.280 nan 8.230 nan 0.000 0.426 175 V N 4.464 124.428 119.914 0.084 0.000 2.407 175 V HA 0.306 4.426 4.120 -0.001 0.000 0.291 175 V C -0.075 176.060 176.094 0.070 0.000 1.018 175 V CA -0.592 61.761 62.300 0.088 0.000 0.842 175 V CB 2.126 33.994 31.823 0.076 0.000 0.996 175 V HN 0.441 nan 8.190 nan 0.000 0.426 176 V N 7.794 127.726 119.914 0.029 0.000 2.294 176 V HA 0.350 4.469 4.120 -0.001 0.000 0.272 176 V C -1.957 174.068 176.094 -0.115 0.000 1.027 176 V CA -1.771 60.462 62.300 -0.113 0.000 0.823 176 V CB 1.533 33.091 31.823 -0.441 0.000 1.030 176 V HN 0.697 nan 8.190 nan 0.000 0.457 177 P HA 0.440 nan 4.420 nan 0.000 0.269 177 P C -0.419 176.739 177.300 -0.237 0.000 1.209 177 P CA 0.273 63.260 63.100 -0.187 0.000 0.776 177 P CB 1.816 33.442 31.700 -0.124 0.000 0.876 178 A N 2.541 125.101 122.820 -0.433 0.000 2.493 178 A HA 0.809 5.128 4.320 -0.001 0.000 0.300 178 A C -1.874 175.480 177.584 -0.383 0.000 1.152 178 A CA -0.568 51.215 52.037 -0.423 0.000 0.643 178 A CB 1.106 19.747 19.000 -0.598 0.000 1.316 178 A HN 0.659 nan 8.150 nan 0.000 0.469 179 Y N -2.839 117.306 120.300 -0.258 0.000 2.558 179 Y HA 0.823 5.372 4.550 -0.001 0.000 0.333 179 Y C -0.697 175.275 175.900 0.120 0.000 1.125 179 Y CA -0.616 57.477 58.100 -0.012 0.000 1.039 179 Y CB 0.881 39.290 38.460 -0.086 0.000 1.331 179 Y HN 1.710 nan 8.280 nan 0.000 0.456 180 A N 2.076 124.912 122.820 0.026 0.000 2.498 180 A HA 0.711 5.030 4.320 -0.001 0.000 0.298 180 A C -2.404 175.024 177.584 -0.261 0.000 1.075 180 A CA -0.923 50.936 52.037 -0.297 0.000 0.714 180 A CB 1.038 19.400 19.000 -1.063 0.000 1.299 180 A HN 0.752 nan 8.150 nan 0.000 0.407 181 Y N 2.520 122.765 120.300 -0.092 0.000 2.535 181 Y HA 0.313 4.862 4.550 -0.001 0.000 0.349 181 Y C 1.204 177.086 175.900 -0.029 0.000 0.992 181 Y CA 0.063 58.155 58.100 -0.014 0.000 1.248 181 Y CB 0.582 39.073 38.460 0.051 0.000 1.124 181 Y HN 0.600 nan 8.280 nan 0.000 0.520 182 R N 2.426 122.921 120.500 -0.008 0.000 2.404 182 R HA 0.417 4.756 4.340 -0.001 0.000 0.291 182 R C -0.917 175.419 176.300 0.060 0.000 1.025 182 R CA -0.949 55.164 56.100 0.023 0.000 0.991 182 R CB 1.054 31.211 30.300 -0.240 0.000 1.053 182 R HN 0.461 nan 8.270 nan 0.000 0.479 183 K N 3.529 123.987 120.400 0.096 0.000 2.250 183 K HA 0.181 4.500 4.320 -0.001 0.000 0.285 183 K C 0.459 177.079 176.600 0.034 0.000 1.097 183 K CA -0.077 56.250 56.287 0.067 0.000 0.913 183 K CB 0.650 33.188 32.500 0.064 0.000 1.179 183 K HN 0.557 nan 8.250 nan 0.000 0.462 184 L N 0.864 122.109 121.223 0.037 0.000 2.672 184 L HA 0.193 4.532 4.340 -0.001 0.000 0.236 184 L C 0.692 177.603 176.870 0.069 0.000 1.092 184 L CA -0.148 54.708 54.840 0.027 0.000 0.887 184 L CB 0.197 42.259 42.059 0.005 0.000 1.168 184 L HN 0.606 nan 8.230 nan 0.000 0.502 185 H N 0.607 119.671 119.070 -0.010 0.000 2.600 185 H HA 0.280 4.836 4.556 -0.001 0.000 0.357 185 H C -2.186 173.140 175.328 -0.003 0.000 1.106 185 H CA -1.432 54.612 56.048 -0.007 0.000 1.193 185 H CB 2.899 32.657 29.762 -0.007 0.000 1.594 185 H HN -0.237 nan 8.280 nan 0.000 0.526 186 P HA 0.049 nan 4.420 nan 0.000 0.223 186 P C 0.981 178.366 177.300 0.142 0.000 1.151 186 P CA 0.955 64.068 63.100 0.022 0.000 0.787 186 P CB 0.705 32.360 31.700 -0.075 0.000 0.788 187 I N -2.867 117.945 120.570 0.404 0.000 3.366 187 I HA 0.022 4.192 4.170 -0.001 0.000 0.267 187 I C 0.834 177.020 176.117 0.115 0.000 1.149 187 I CA -0.085 61.370 61.300 0.258 0.000 1.436 187 I CB -0.298 37.858 38.000 0.260 0.000 1.379 187 I HN -0.214 nan 8.210 nan 0.000 0.460 188 Q N 3.433 123.208 119.800 -0.042 0.000 2.474 188 Q HA 0.043 4.382 4.340 -0.001 0.000 0.256 188 Q C 0.170 176.149 176.000 -0.035 0.000 1.048 188 Q CA 0.158 55.833 55.803 -0.213 0.000 0.922 188 Q CB 0.409 28.852 28.738 -0.493 0.000 1.288 188 Q HN 0.376 nan 8.270 nan 0.000 0.484 189 R N 1.148 121.624 120.500 -0.041 0.000 2.738 189 R HA 0.325 4.665 4.340 -0.001 0.000 0.268 189 R C -2.324 173.994 176.300 0.030 0.000 1.062 189 R CA -1.418 54.680 56.100 -0.002 0.000 1.158 189 R CB -0.733 29.559 30.300 -0.014 0.000 1.046 189 R HN 0.209 nan 8.270 nan 0.000 0.493 190 P HA 0.133 nan 4.420 nan 0.000 0.271 190 P C -0.690 176.707 177.300 0.162 0.000 1.216 190 P CA -0.137 63.035 63.100 0.119 0.000 0.776 190 P CB 0.488 32.286 31.700 0.163 0.000 0.881 191 I N 5.134 125.753 120.570 0.081 0.000 2.339 191 I HA 0.287 4.456 4.170 -0.001 0.000 0.290 191 I C -2.156 173.904 176.117 -0.095 0.000 0.994 191 I CA -3.122 58.183 61.300 0.007 0.000 1.191 191 I CB 1.384 39.363 38.000 -0.036 0.000 1.343 191 I HN 0.157 nan 8.210 nan 0.000 0.458 192 P HA 0.288 nan 4.420 nan 0.000 0.278 192 P C -0.817 176.378 177.300 -0.174 0.000 1.238 192 P CA -0.281 62.546 63.100 -0.454 0.000 0.794 192 P CB 1.415 32.532 31.700 -0.971 0.000 0.955 193 S N 0.392 116.067 115.700 -0.041 0.000 2.546 193 S HA 0.583 5.052 4.470 -0.001 0.000 0.272 193 S C -0.417 174.371 174.600 0.313 0.000 1.140 193 S CA -0.590 57.680 58.200 0.116 0.000 0.920 193 S CB 1.640 64.909 63.200 0.114 0.000 1.083 193 S HN 0.666 nan 8.310 nan 0.000 0.476 194 A N 2.307 125.235 122.820 0.179 0.000 2.386 194 A HA 0.873 5.193 4.320 -0.001 0.000 0.248 194 A C -0.293 177.365 177.584 0.122 0.000 1.082 194 A CA -0.034 52.061 52.037 0.097 0.000 0.789 194 A CB -0.264 18.673 19.000 -0.104 0.000 1.025 194 A HN 1.332 nan 8.150 nan 0.000 0.490 195 F N -1.731 118.050 119.950 -0.282 0.000 2.900 195 F HA 0.577 5.104 4.527 -0.001 0.000 0.321 195 F C -1.401 174.215 175.800 -0.306 0.000 1.160 195 F CA -1.478 56.303 58.000 -0.365 0.000 0.890 195 F CB 0.343 38.927 39.000 -0.693 0.000 1.334 195 F HN 0.565 nan 8.300 nan 0.000 0.459 196 C N 1.533 120.686 119.300 -0.246 0.000 2.547 196 C HA 0.703 5.162 4.460 -0.001 0.000 0.313 196 C C -0.913 173.980 174.990 -0.162 0.000 1.191 196 C CA -0.671 58.184 59.018 -0.273 0.000 1.474 196 C CB 1.057 28.816 27.740 0.032 0.000 2.081 196 C HN 0.629 nan 8.230 nan 0.000 0.476 197 F N 3.541 123.437 119.950 -0.090 0.000 2.410 197 F HA 0.571 5.098 4.527 -0.001 0.000 0.348 197 F C 0.204 176.115 175.800 0.185 0.000 1.106 197 F CA -0.276 57.769 58.000 0.075 0.000 1.163 197 F CB 0.618 39.542 39.000 -0.127 0.000 1.129 197 F HN 0.117 nan 8.300 nan 0.000 0.516 198 L N 2.350 123.788 121.223 0.359 0.000 2.346 198 L HA 0.526 4.865 4.340 -0.001 0.000 0.274 198 L C -0.252 176.442 176.870 -0.293 0.000 1.007 198 L CA -0.697 54.156 54.840 0.021 0.000 0.818 198 L CB 1.481 43.458 42.059 -0.136 0.000 1.284 198 L HN 0.529 nan 8.230 nan 0.000 0.424 199 S N 0.926 116.154 115.700 -0.786 0.000 2.672 199 S HA 0.486 4.956 4.470 -0.001 0.000 0.291 199 S C 0.054 174.115 174.600 -0.898 0.000 1.145 199 S CA -0.446 57.065 58.200 -1.149 0.000 1.013 199 S CB 0.543 62.474 63.200 -2.115 0.000 1.017 199 S HN 0.650 nan 8.310 nan 0.000 0.487 200 H N 2.934 121.768 119.070 -0.393 0.000 2.705 200 H HA 0.163 4.719 4.556 -0.001 0.000 0.269 200 H C -0.075 175.038 175.328 -0.358 0.000 0.998 200 H CA 0.364 56.221 56.048 -0.319 0.000 1.193 200 H CB 0.389 30.026 29.762 -0.209 0.000 1.485 200 H HN 0.692 nan 8.280 nan 0.000 0.521 201 D N -0.796 119.441 120.400 -0.271 0.000 2.463 201 D HA 0.020 4.660 4.640 -0.001 0.000 0.224 201 D C 0.039 176.279 176.300 -0.101 0.000 1.174 201 D CA -0.368 53.529 54.000 -0.171 0.000 0.829 201 D CB -0.172 40.570 40.800 -0.097 0.000 0.993 201 D HN 0.108 nan 8.370 nan 0.000 0.497 202 H N -0.678 118.310 119.070 -0.135 0.000 2.936 202 H HA -0.131 4.425 4.556 -0.001 0.000 0.276 202 H C 1.463 176.775 175.328 -0.027 0.000 1.216 202 H CA 1.031 57.042 56.048 -0.061 0.000 1.132 202 H CB -1.400 28.376 29.762 0.022 0.000 1.303 202 H HN 0.609 nan 8.280 nan 0.000 0.370 203 G N -0.710 107.971 108.800 -0.199 0.000 2.231 203 G HA2 -0.347 3.613 3.960 -0.001 0.000 0.206 203 G HA3 -0.347 3.613 3.960 -0.001 0.000 0.206 203 G C 1.142 176.041 174.900 -0.002 0.000 0.996 203 G CA 0.745 45.780 45.100 -0.108 0.000 0.645 203 G HN 0.456 nan 8.290 nan 0.000 0.498 204 R N 1.322 121.804 120.500 -0.031 0.000 2.097 204 R HA 0.066 4.405 4.340 -0.001 0.000 0.236 204 R C 1.841 178.135 176.300 -0.011 0.000 1.135 204 R CA 2.688 58.800 56.100 0.021 0.000 0.934 204 R CB -0.495 29.808 30.300 0.004 0.000 0.846 204 R HN 0.825 nan 8.270 nan 0.000 0.431 205 T N -4.364 110.080 114.554 -0.184 0.000 2.887 205 T HA 0.574 4.923 4.350 -0.001 0.000 0.292 205 T C -0.835 173.588 174.700 -0.462 0.000 1.087 205 T CA -1.036 60.989 62.100 -0.125 0.000 1.009 205 T CB 1.421 70.271 68.868 -0.031 0.000 1.203 205 T HN 0.232 nan 8.240 nan 0.000 0.518 206 W N -0.167 121.134 121.300 0.002 0.000 3.349 206 W HA 0.856 5.516 4.660 -0.001 0.000 0.325 206 W C -0.360 176.187 176.519 0.048 0.000 1.198 206 W CA -0.641 56.705 57.345 0.002 0.000 0.985 206 W CB 1.523 30.981 29.460 -0.004 0.000 1.556 206 W HN 1.115 nan 8.180 nan 0.000 0.610 207 A N 0.544 123.607 122.820 0.406 0.000 2.585 207 A HA 0.680 4.999 4.320 -0.001 0.000 0.299 207 A C -1.601 176.155 177.584 0.286 0.000 1.047 207 A CA -1.109 51.087 52.037 0.265 0.000 0.723 207 A CB 0.935 20.021 19.000 0.143 0.000 1.275 207 A HN 0.610 nan 8.150 nan 0.000 0.408 208 R N 1.090 121.700 120.500 0.184 0.000 2.221 208 R HA 0.526 4.865 4.340 -0.001 0.000 0.327 208 R C 0.830 177.110 176.300 -0.033 0.000 1.033 208 R CA 0.394 56.511 56.100 0.028 0.000 0.887 208 R CB 1.609 31.869 30.300 -0.067 0.000 1.057 208 R HN 0.961 nan 8.270 nan 0.000 0.455 209 G N 1.395 110.172 108.800 -0.038 0.000 2.599 209 G HA2 0.087 4.047 3.960 -0.001 0.000 0.264 209 G HA3 0.087 4.047 3.960 -0.001 0.000 0.264 209 G C -0.443 174.383 174.900 -0.123 0.000 1.200 209 G CA -0.580 44.445 45.100 -0.126 0.000 0.896 209 G HN 0.530 nan 8.290 nan 0.000 0.536 210 H N -0.424 118.641 119.070 -0.009 0.000 2.771 210 H HA 0.178 4.733 4.556 -0.001 0.000 0.364 210 H C 0.323 175.659 175.328 0.014 0.000 1.133 210 H CA -0.417 55.631 56.048 0.000 0.000 1.423 210 H CB 0.212 30.027 29.762 0.087 0.000 1.425 210 H HN 0.257 nan 8.280 nan 0.000 0.606 211 F N 0.097 120.165 119.950 0.196 0.000 2.472 211 F HA 0.128 4.654 4.527 -0.002 0.000 0.312 211 F C 1.406 177.310 175.800 0.173 0.000 1.256 211 F CA -0.095 57.985 58.000 0.134 0.000 1.275 211 F CB 0.271 39.278 39.000 0.013 0.000 1.228 211 F HN 0.343 nan 8.300 nan 0.000 0.567 212 V N -0.977 119.123 119.914 0.311 0.000 3.485 212 V HA 0.875 4.994 4.120 -0.001 0.000 0.293 212 V C 0.163 176.347 176.094 0.149 0.000 1.253 212 V CA -1.085 61.336 62.300 0.201 0.000 0.991 212 V CB 0.472 32.333 31.823 0.062 0.000 1.252 212 V HN 0.945 nan 8.190 nan 0.000 0.473 213 A N 0.951 123.824 122.820 0.088 0.000 2.536 213 A HA 0.365 4.684 4.320 -0.001 0.000 0.234 213 A C 0.481 178.089 177.584 0.041 0.000 1.076 213 A CA 0.231 52.300 52.037 0.054 0.000 0.769 213 A CB -0.455 18.562 19.000 0.029 0.000 1.020 213 A HN 1.004 nan 8.150 nan 0.000 0.508 214 Q N -0.209 119.603 119.800 0.019 0.000 2.237 214 Q HA 0.436 4.775 4.340 -0.001 0.000 0.219 214 Q C -0.938 175.069 176.000 0.012 0.000 0.999 214 Q CA -0.398 55.403 55.803 -0.003 0.000 0.959 214 Q CB 0.474 29.191 28.738 -0.034 0.000 1.173 214 Q HN 0.619 nan 8.270 nan 0.000 0.527 215 D N 0.062 120.461 120.400 -0.003 0.000 2.809 215 D HA -0.104 4.535 4.640 -0.001 0.000 0.234 215 D C -1.157 175.172 176.300 0.047 0.000 1.111 215 D CA 1.521 55.550 54.000 0.047 0.000 0.726 215 D CB -1.420 39.492 40.800 0.188 0.000 1.089 215 D HN 0.789 nan 8.370 nan 0.000 0.436 216 T N -2.154 112.382 114.554 -0.030 0.000 2.893 216 T HA 0.789 5.138 4.350 -0.001 0.000 0.293 216 T C 0.688 175.297 174.700 -0.151 0.000 1.027 216 T CA -0.925 61.133 62.100 -0.070 0.000 0.988 216 T CB 2.533 71.365 68.868 -0.060 0.000 1.043 216 T HN 0.027 nan 8.240 nan 0.000 0.461 217 L N 0.321 121.382 121.223 -0.269 0.000 2.760 217 L HA 0.537 4.876 4.340 -0.001 0.000 0.213 217 L C 0.439 176.895 176.870 -0.691 0.000 2.003 217 L CA -1.426 53.017 54.840 -0.661 0.000 2.737 217 L CB -0.063 41.613 42.059 -0.638 0.000 2.794 217 L HN 0.653 nan 8.230 nan 0.000 0.633 218 E N 0.842 120.508 120.200 -0.891 0.000 2.558 218 E HA 0.095 4.444 4.350 -0.001 0.000 0.255 218 E C -0.721 175.769 176.600 -0.183 0.000 0.968 218 E CA -0.050 56.133 56.400 -0.361 0.000 0.939 218 E CB 0.094 29.655 29.700 -0.232 0.000 0.921 218 E HN 0.497 nan 8.360 nan 0.000 0.477 219 C N 1.450 120.695 119.300 -0.092 0.000 3.161 219 C HA 0.716 5.176 4.460 -0.001 0.000 0.330 219 C C -0.571 174.384 174.990 -0.059 0.000 1.396 219 C CA -0.779 58.182 59.018 -0.094 0.000 1.536 219 C CB 1.417 29.068 27.740 -0.149 0.000 1.978 219 C HN 0.834 nan 8.230 nan 0.000 0.454 220 Q N -0.106 119.669 119.800 -0.041 0.000 2.501 220 Q HA 0.777 5.116 4.340 -0.001 0.000 0.288 220 Q C -1.232 174.766 176.000 -0.002 0.000 1.051 220 Q CA -0.626 55.166 55.803 -0.019 0.000 0.788 220 Q CB 2.718 31.489 28.738 0.055 0.000 1.469 220 Q HN 1.081 nan 8.270 nan 0.000 0.416 221 V N -2.092 117.827 119.914 0.008 0.000 3.102 221 V HA 1.081 5.201 4.120 -0.001 0.000 0.312 221 V C -1.181 174.992 176.094 0.131 0.000 1.135 221 V CA -0.582 61.764 62.300 0.078 0.000 1.022 221 V CB 1.522 33.404 31.823 0.099 0.000 1.056 221 V HN 0.883 nan 8.190 nan 0.000 0.436 222 A N 1.314 124.234 122.820 0.167 0.000 2.593 222 A HA 0.897 5.216 4.320 -0.001 0.000 0.290 222 A C -0.973 176.705 177.584 0.155 0.000 1.126 222 A CA -0.559 51.592 52.037 0.191 0.000 0.695 222 A CB 2.015 21.149 19.000 0.224 0.000 1.290 222 A HN 1.145 nan 8.150 nan 0.000 0.414 223 E N 0.104 120.390 120.200 0.143 0.000 2.256 223 E HA 0.718 5.068 4.350 -0.001 0.000 0.267 223 E C -1.683 174.969 176.600 0.086 0.000 0.892 223 E CA -0.552 55.911 56.400 0.105 0.000 0.775 223 E CB 2.081 31.841 29.700 0.101 0.000 1.207 223 E HN 0.536 nan 8.360 nan 0.000 0.420 224 V N 1.960 121.907 119.914 0.055 0.000 3.206 224 V HA 0.220 4.340 4.120 -0.001 0.000 0.305 224 V C -0.069 176.036 176.094 0.018 0.000 1.257 224 V CA -0.990 61.330 62.300 0.032 0.000 1.057 224 V CB 1.786 33.617 31.823 0.013 0.000 1.075 224 V HN 0.800 nan 8.190 nan 0.000 0.443 230 R N 1.676 122.172 120.500 -0.006 0.000 2.388 230 R HA 0.566 4.905 4.340 -0.001 0.000 0.314 230 R C -0.510 175.788 176.300 -0.004 0.000 0.959 230 R CA -0.236 55.865 56.100 0.001 0.000 0.851 230 R CB 1.236 31.540 30.300 0.006 0.000 1.168 230 R HN -0.008 nan 8.270 nan 0.000 0.472 231 V N 1.333 121.248 119.914 0.002 0.000 3.113 231 V HA 0.733 4.852 4.120 -0.001 0.000 0.316 231 V C -1.146 174.963 176.094 0.024 0.000 1.125 231 V CA -0.654 61.644 62.300 -0.003 0.000 1.026 231 V CB 2.349 34.168 31.823 -0.007 0.000 1.080 231 V HN 0.348 nan 8.190 nan 0.000 0.444 232 V N 1.900 121.832 119.914 0.030 0.000 2.376 232 V HA 0.476 4.595 4.120 -0.001 0.000 0.287 232 V C 0.237 176.433 176.094 0.171 0.000 1.015 232 V CA 0.074 62.433 62.300 0.098 0.000 0.834 232 V CB 1.244 33.127 31.823 0.100 0.000 1.001 232 V HN 1.158 nan 8.190 nan 0.000 0.428 233 T N 6.098 120.746 114.554 0.157 0.000 2.889 233 T HA 0.648 4.997 4.350 -0.001 0.000 0.291 233 T C -0.666 174.145 174.700 0.184 0.000 0.995 233 T CA -0.137 62.061 62.100 0.164 0.000 1.092 233 T CB 0.738 69.670 68.868 0.106 0.000 0.954 233 T HN 0.541 nan 8.240 nan 0.000 0.506 234 L N 5.077 126.388 121.223 0.146 0.000 2.342 234 L HA 0.676 5.015 4.340 -0.001 0.000 0.271 234 L C -0.575 176.278 176.870 -0.029 0.000 1.008 234 L CA -0.811 54.027 54.840 -0.003 0.000 0.818 234 L CB 1.679 43.556 42.059 -0.304 0.000 1.296 234 L HN 0.567 nan 8.230 nan 0.000 0.427 235 N N 3.290 121.960 118.700 -0.049 0.000 2.461 235 N HA 0.632 5.371 4.740 -0.001 0.000 0.284 235 N C -1.601 173.848 175.510 -0.103 0.000 1.049 235 N CA -0.219 52.781 53.050 -0.084 0.000 0.889 235 N CB 2.132 40.578 38.487 -0.069 0.000 1.365 235 N HN 0.776 nan 8.380 nan 0.000 0.499 236 A N 2.847 125.585 122.820 -0.137 0.000 2.356 236 A HA 0.548 4.868 4.320 -0.001 0.000 0.323 236 A C -0.176 177.329 177.584 -0.132 0.000 1.119 236 A CA -0.813 51.143 52.037 -0.135 0.000 0.790 236 A CB 1.358 20.270 19.000 -0.146 0.000 1.273 236 A HN 0.719 nan 8.150 nan 0.000 0.452 237 R N 1.138 121.562 120.500 -0.127 0.000 2.298 237 R HA 0.445 4.784 4.340 -0.001 0.000 0.310 237 R C -0.185 176.056 176.300 -0.098 0.000 1.068 237 R CA 0.562 56.604 56.100 -0.096 0.000 0.957 237 R CB 0.441 30.677 30.300 -0.105 0.000 1.003 237 R HN 0.874 nan 8.270 nan 0.000 0.454 238 S N 2.843 118.497 115.700 -0.077 0.000 2.600 238 S HA 0.184 4.653 4.470 -0.001 0.000 0.300 238 S C 0.655 175.241 174.600 -0.023 0.000 1.087 238 S CA -0.894 57.274 58.200 -0.054 0.000 0.965 238 S CB 1.273 64.402 63.200 -0.118 0.000 1.089 238 S HN 0.889 nan 8.310 nan 0.000 0.496 239 H N 1.959 121.003 119.070 -0.043 0.000 2.543 239 H HA 0.389 4.945 4.556 -0.001 0.000 0.269 239 H C 0.202 175.517 175.328 -0.022 0.000 1.005 239 H CA -0.279 55.758 56.048 -0.018 0.000 1.146 239 H CB -0.400 29.360 29.762 -0.002 0.000 1.353 239 H HN 0.399 nan 8.280 nan 0.000 0.595 240 L N 0.765 121.686 121.223 -0.503 0.000 2.569 240 L HA 0.241 4.581 4.340 -0.001 0.000 0.247 240 L C 1.984 178.725 176.870 -0.215 0.000 1.135 240 L CA -0.935 53.658 54.840 -0.413 0.000 0.812 240 L CB 0.814 42.637 42.059 -0.394 0.000 1.431 240 L HN 0.049 nan 8.230 nan 0.000 0.499 241 R N 0.345 120.738 120.500 -0.179 0.000 2.133 241 R HA -0.168 4.171 4.340 -0.001 0.000 0.245 241 R C 0.518 176.725 176.300 -0.154 0.000 1.137 241 R CA 1.825 57.837 56.100 -0.146 0.000 0.947 241 R CB -0.619 29.605 30.300 -0.126 0.000 0.865 241 R HN 0.710 nan 8.270 nan 0.000 0.437 242 A N 0.484 123.202 122.820 -0.170 0.000 2.985 242 A HA 0.579 4.898 4.320 -0.001 0.000 0.248 242 A C -0.546 176.906 177.584 -0.220 0.000 1.195 242 A CA -0.762 51.156 52.037 -0.198 0.000 0.798 242 A CB 0.796 19.674 19.000 -0.205 0.000 1.376 242 A HN -0.043 nan 8.150 nan 0.000 0.574 243 R N -0.385 119.941 120.500 -0.290 0.000 2.531 243 R HA 0.540 4.879 4.340 -0.001 0.000 0.273 243 R C -0.946 175.209 176.300 -0.241 0.000 1.070 243 R CA -0.271 55.646 56.100 -0.306 0.000 1.112 243 R CB 0.870 30.882 30.300 -0.480 0.000 1.049 243 R HN 0.389 nan 8.270 nan 0.000 0.508 244 V N 2.191 121.988 119.914 -0.195 0.000 2.581 244 V HA 0.361 4.480 4.120 -0.001 0.000 0.303 244 V C -0.175 175.840 176.094 -0.131 0.000 1.041 244 V CA -0.669 61.547 62.300 -0.141 0.000 0.907 244 V CB 1.728 33.486 31.823 -0.108 0.000 0.994 244 V HN 0.795 nan 8.190 nan 0.000 0.442 245 Q N 3.308 123.059 119.800 -0.081 0.000 2.284 245 Q HA 0.863 5.202 4.340 -0.001 0.000 0.269 245 Q C -1.283 174.723 176.000 0.010 0.000 1.026 245 Q CA -0.672 55.107 55.803 -0.041 0.000 0.831 245 Q CB 2.348 31.083 28.738 -0.005 0.000 1.322 245 Q HN 0.890 nan 8.270 nan 0.000 0.419 246 A N 2.439 125.283 122.820 0.040 0.000 2.479 246 A HA 0.809 5.128 4.320 -0.001 0.000 0.296 246 A C -1.357 176.365 177.584 0.231 0.000 1.121 246 A CA -0.764 51.349 52.037 0.126 0.000 0.743 246 A CB 1.898 20.995 19.000 0.162 0.000 1.323 246 A HN 0.733 nan 8.150 nan 0.000 0.415 247 Q N 0.170 120.106 119.800 0.227 0.000 2.387 247 Q HA 0.717 5.056 4.340 -0.001 0.000 0.273 247 Q C -0.814 175.237 176.000 0.085 0.000 1.089 247 Q CA -0.738 55.175 55.803 0.183 0.000 0.824 247 Q CB 1.761 30.542 28.738 0.072 0.000 1.367 247 Q HN 0.639 nan 8.270 nan 0.000 0.443 248 S N -0.194 115.457 115.700 -0.080 0.000 2.526 248 S HA 0.564 5.033 4.470 -0.001 0.000 0.293 248 S C -0.054 174.441 174.600 -0.175 0.000 1.092 248 S CA -0.111 57.891 58.200 -0.329 0.000 0.980 248 S CB 1.154 63.863 63.200 -0.818 0.000 1.048 248 S HN 0.685 nan 8.310 nan 0.000 0.483 249 T N 0.346 114.809 114.554 -0.153 0.000 3.145 249 T HA 0.257 4.606 4.350 -0.001 0.000 0.281 249 T C 0.138 174.781 174.700 -0.094 0.000 1.003 249 T CA -0.418 61.626 62.100 -0.093 0.000 0.901 249 T CB -0.474 68.358 68.868 -0.061 0.000 1.112 249 T HN 0.624 nan 8.240 nan 0.000 0.535 250 N N 0.946 119.565 118.700 -0.136 0.000 2.571 250 N HA 0.154 4.893 4.740 -0.001 0.000 0.298 250 N C -0.920 174.519 175.510 -0.118 0.000 1.671 250 N CA -0.358 52.624 53.050 -0.113 0.000 0.900 250 N CB 0.021 38.444 38.487 -0.107 0.000 1.365 250 N HN 0.025 nan 8.380 nan 0.000 0.493 251 D N 0.259 120.596 120.400 -0.105 0.000 2.772 251 D HA -0.140 4.499 4.640 -0.001 0.000 0.233 251 D C 1.162 177.411 176.300 -0.085 0.000 1.143 251 D CA 1.901 55.864 54.000 -0.062 0.000 0.700 251 D CB -1.425 39.378 40.800 0.006 0.000 1.076 251 D HN 0.774 nan 8.370 nan 0.000 0.430 252 G N -1.249 107.409 108.800 -0.236 0.000 2.232 252 G HA2 -0.381 3.578 3.960 -0.001 0.000 0.226 252 G HA3 -0.381 3.578 3.960 -0.001 0.000 0.226 252 G C 0.916 175.636 174.900 -0.300 0.000 0.996 252 G CA 0.449 45.386 45.100 -0.273 0.000 0.626 252 G HN 0.474 nan 8.290 nan 0.000 0.509 253 L N 1.111 122.179 121.223 -0.258 0.000 2.131 253 L HA 0.310 4.649 4.340 -0.001 0.000 0.210 253 L C 0.242 176.917 176.870 -0.325 0.000 1.092 253 L CA 2.059 56.732 54.840 -0.279 0.000 0.759 253 L CB -0.071 41.843 42.059 -0.241 0.000 0.903 253 L HN 0.326 nan 8.230 nan 0.000 0.435 254 D N -1.752 118.443 120.400 -0.342 0.000 2.879 254 D HA 0.296 4.935 4.640 -0.001 0.000 0.236 254 D C -1.392 174.656 176.300 -0.419 0.000 1.171 254 D CA -0.219 53.669 54.000 -0.186 0.000 0.868 254 D CB 1.605 42.380 40.800 -0.041 0.000 1.598 254 D HN -0.177 nan 8.370 nan 0.000 0.497 255 F N 1.710 121.693 119.950 0.054 0.000 2.449 255 F HA 0.305 4.831 4.527 -0.001 0.000 0.342 255 F C 0.778 176.604 175.800 0.044 0.000 1.127 255 F CA -0.485 57.539 58.000 0.040 0.000 0.975 255 F CB 1.660 40.684 39.000 0.040 0.000 1.146 255 F HN 0.006 nan 8.300 nan 0.000 0.444 256 Q N 0.259 120.151 119.800 0.153 0.000 2.712 256 Q HA 0.420 4.759 4.340 -0.001 0.000 0.267 256 Q C -0.035 176.019 176.000 0.091 0.000 1.062 256 Q CA -1.170 54.694 55.803 0.101 0.000 0.888 256 Q CB 1.059 29.827 28.738 0.049 0.000 1.374 256 Q HN 0.477 nan 8.270 nan 0.000 0.498 257 E N 0.342 120.576 120.200 0.056 0.000 2.735 257 E HA -0.207 4.142 4.350 -0.001 0.000 0.261 257 E C -0.916 175.708 176.600 0.041 0.000 1.137 257 E CA 0.803 57.227 56.400 0.038 0.000 0.754 257 E CB -1.476 28.240 29.700 0.027 0.000 1.352 257 E HN 0.578 nan 8.360 nan 0.000 0.430 258 S N 0.129 115.862 115.700 0.055 0.000 2.544 258 S HA 0.229 4.698 4.470 -0.001 0.000 0.290 258 S C 0.249 174.856 174.600 0.012 0.000 1.276 258 S CA 0.470 58.694 58.200 0.040 0.000 1.075 258 S CB 0.709 63.938 63.200 0.048 0.000 0.849 258 S HN 0.441 nan 8.310 nan 0.000 0.494 259 Q N 2.190 121.986 119.800 -0.005 0.000 2.522 259 Q HA 0.588 4.927 4.340 -0.001 0.000 0.285 259 Q C -1.328 174.644 176.000 -0.047 0.000 0.982 259 Q CA -1.144 54.646 55.803 -0.022 0.000 0.805 259 Q CB 0.848 29.578 28.738 -0.014 0.000 1.457 259 Q HN 0.610 nan 8.270 nan 0.000 0.394 260 L N 0.869 122.055 121.223 -0.062 0.000 2.452 260 L HA 0.439 4.778 4.340 -0.001 0.000 0.267 260 L C -0.573 176.242 176.870 -0.091 0.000 1.188 260 L CA -0.776 54.007 54.840 -0.094 0.000 0.821 260 L CB 1.094 43.094 42.059 -0.099 0.000 1.102 260 L HN 0.496 nan 8.230 nan 0.000 0.470 261 V N 2.630 122.462 119.914 -0.136 0.000 2.327 261 V HA 0.148 4.267 4.120 -0.001 0.000 0.272 261 V C 0.666 176.658 176.094 -0.170 0.000 1.019 261 V CA -0.733 61.487 62.300 -0.134 0.000 0.814 261 V CB 0.847 32.562 31.823 -0.180 0.000 1.040 261 V HN 0.716 nan 8.190 nan 0.000 0.440 262 K N 1.774 122.106 120.400 -0.114 0.000 2.211 262 K HA -0.145 4.174 4.320 -0.001 0.000 0.204 262 K C 1.681 178.218 176.600 -0.104 0.000 1.047 262 K CA 1.209 57.431 56.287 -0.108 0.000 0.935 262 K CB 0.110 32.567 32.500 -0.073 0.000 0.728 262 K HN 0.476 nan 8.250 nan 0.000 0.452 263 K N 0.729 121.077 120.400 -0.087 0.000 2.280 263 K HA -0.030 4.289 4.320 -0.001 0.000 0.202 263 K C 0.378 176.912 176.600 -0.109 0.000 1.047 263 K CA 0.657 56.922 56.287 -0.037 0.000 0.942 263 K CB 0.035 32.556 32.500 0.036 0.000 0.739 263 K HN 0.128 nan 8.250 nan 0.000 0.457 264 L N 1.781 122.810 121.223 -0.323 0.000 2.360 264 L HA 0.226 4.566 4.340 -0.001 0.000 0.265 264 L C 0.155 176.814 176.870 -0.353 0.000 1.066 264 L CA -0.663 53.864 54.840 -0.521 0.000 0.929 264 L CB 0.927 42.429 42.059 -0.927 0.000 1.306 264 L HN -0.155 nan 8.230 nan 0.000 0.434 265 V N 2.906 122.707 119.914 -0.188 0.000 3.625 265 V HA 0.127 4.246 4.120 -0.001 0.000 0.302 265 V C 0.249 176.249 176.094 -0.158 0.000 1.112 265 V CA 0.437 62.650 62.300 -0.146 0.000 1.173 265 V CB 1.211 32.989 31.823 -0.076 0.000 1.096 265 V HN 0.741 nan 8.190 nan 0.000 0.486 266 E N 2.266 122.418 120.200 -0.080 0.000 2.335 266 E HA 0.380 4.729 4.350 -0.001 0.000 0.280 266 E C -2.784 173.833 176.600 0.028 0.000 0.918 266 E CA -1.467 54.947 56.400 0.024 0.000 0.765 266 E CB 2.142 31.817 29.700 -0.042 0.000 1.218 266 E HN 0.567 nan 8.360 nan 0.000 0.425 267 P HA 0.096 nan 4.420 nan 0.000 0.268 267 P C -2.153 175.185 177.300 0.062 0.000 1.205 267 P CA -0.956 62.190 63.100 0.077 0.000 0.771 267 P CB 0.544 32.313 31.700 0.114 0.000 0.858 268 P HA -0.265 nan 4.420 nan 0.000 0.216 268 P C -1.074 176.282 177.300 0.093 0.000 1.062 268 P CA 2.749 65.899 63.100 0.084 0.000 0.995 268 P CB -1.979 29.829 31.700 0.180 0.000 0.762 269 P HA -0.142 nan 4.420 nan 0.000 0.203 269 P C 0.934 178.302 177.300 0.113 0.000 0.967 269 P CA 1.512 64.674 63.100 0.104 0.000 0.946 269 P CB -0.342 31.416 31.700 0.097 0.000 0.690 270 Q N -0.960 118.907 119.800 0.112 0.000 2.157 270 Q HA 0.386 4.726 4.340 -0.001 0.000 0.229 270 Q C 0.557 176.620 176.000 0.105 0.000 0.827 270 Q CA 0.123 56.001 55.803 0.125 0.000 1.055 270 Q CB 0.808 29.612 28.738 0.109 0.000 1.157 270 Q HN 0.416 nan 8.270 nan 0.000 0.482 271 G N 1.099 109.959 108.800 0.100 0.000 2.750 271 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.228 271 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.228 271 G C -0.587 174.388 174.900 0.125 0.000 1.367 271 G CA -0.289 44.875 45.100 0.107 0.000 0.871 271 G HN 0.419 nan 8.290 nan 0.000 0.560 272 C N -0.241 119.143 119.300 0.140 0.000 2.898 272 C HA 0.750 5.209 4.460 -0.001 0.000 0.304 272 C C 0.451 175.390 174.990 -0.085 0.000 1.237 272 C CA -0.078 58.974 59.018 0.057 0.000 1.529 272 C CB 1.464 29.195 27.740 -0.014 0.000 2.021 272 C HN 1.172 nan 8.230 nan 0.000 0.474 273 Q N 1.816 121.347 119.800 -0.448 0.000 2.474 273 Q HA 0.482 4.821 4.340 -0.001 0.000 0.256 273 Q C 0.033 175.845 176.000 -0.314 0.000 1.048 273 Q CA 1.069 56.507 55.803 -0.610 0.000 0.922 273 Q CB 1.142 28.931 28.738 -1.582 0.000 1.288 273 Q HN 1.114 nan 8.270 nan 0.000 0.484 274 G N 0.652 109.421 108.800 -0.052 0.000 2.682 274 G HA2 0.467 4.426 3.960 -0.001 0.000 0.290 274 G HA3 0.467 4.426 3.960 -0.001 0.000 0.290 274 G C -1.728 173.243 174.900 0.117 0.000 1.425 274 G CA -0.331 44.829 45.100 0.099 0.000 0.807 274 G HN 0.541 nan 8.290 nan 0.000 0.482 275 S N -1.606 114.161 115.700 0.113 0.000 2.568 275 S HA 0.790 5.260 4.470 -0.001 0.000 0.293 275 S C -1.323 173.484 174.600 0.345 0.000 1.089 275 S CA -0.625 57.714 58.200 0.232 0.000 0.945 275 S CB 1.852 65.191 63.200 0.231 0.000 1.077 275 S HN 1.366 nan 8.310 nan 0.000 0.485 276 V N 5.308 125.461 119.914 0.398 0.000 2.888 276 V HA 0.820 4.939 4.120 -0.001 0.000 0.309 276 V C -1.278 175.078 176.094 0.436 0.000 1.114 276 V CA -0.685 61.877 62.300 0.437 0.000 0.940 276 V CB 1.598 33.656 31.823 0.392 0.000 1.021 276 V HN 0.927 nan 8.190 nan 0.000 0.426 277 I N 2.867 123.697 120.570 0.433 0.000 3.195 277 I HA 0.915 5.085 4.170 -0.001 0.000 0.313 277 I C -0.492 175.891 176.117 0.444 0.000 1.237 277 I CA -0.624 60.936 61.300 0.433 0.000 0.963 277 I CB 2.272 40.511 38.000 0.398 0.000 1.278 277 I HN 0.660 nan 8.210 nan 0.000 0.460 278 S N 1.779 117.721 115.700 0.403 0.000 2.648 278 S HA 0.940 5.409 4.470 -0.001 0.000 0.305 278 S C -0.796 174.072 174.600 0.447 0.000 1.094 278 S CA -0.538 57.856 58.200 0.323 0.000 0.983 278 S CB 1.882 65.193 63.200 0.185 0.000 1.101 278 S HN 1.081 nan 8.310 nan 0.000 0.514 279 F N -3.083 117.000 119.950 0.222 0.000 2.741 279 F HA 0.730 5.257 4.527 -0.001 0.000 0.311 279 F C -3.534 172.301 175.800 0.058 0.000 1.149 279 F CA -2.422 55.673 58.000 0.158 0.000 0.930 279 F CB 0.291 39.434 39.000 0.238 0.000 1.312 279 F HN 0.346 nan 8.300 nan 0.000 0.450 280 P HA 0.079 nan 4.420 nan 0.000 0.261 280 P C -0.192 176.953 177.300 -0.257 0.000 1.203 280 P CA 0.281 63.344 63.100 -0.063 0.000 0.767 280 P CB 0.877 32.579 31.700 0.004 0.000 0.785 281 S N 5.265 120.628 115.700 -0.562 0.000 2.558 281 S HA 0.041 4.510 4.470 -0.001 0.000 0.293 281 S C -1.159 173.010 174.600 -0.719 0.000 1.292 281 S CA -0.807 56.700 58.200 -1.156 0.000 1.063 281 S CB -0.231 62.380 63.200 -0.981 0.000 0.831 281 S HN 0.276 nan 8.310 nan 0.000 0.499 282 P HA -0.039 nan 4.420 nan 0.000 0.226 282 P C -0.000 177.128 177.300 -0.286 0.000 1.146 282 P CA 1.006 63.863 63.100 -0.405 0.000 0.773 282 P CB 0.063 31.517 31.700 -0.411 0.000 0.772 289 P HA 0.632 nan 4.420 nan 0.000 0.288 289 P C 0.506 177.836 177.300 0.050 0.000 1.267 289 P CA 0.209 63.367 63.100 0.098 0.000 0.815 289 P CB 1.551 33.351 31.700 0.167 0.000 0.989 290 A N 2.570 125.396 122.820 0.010 0.000 1.930 290 A HA -0.079 4.240 4.320 -0.001 0.000 0.217 290 A C 0.852 178.388 177.584 -0.079 0.000 1.175 290 A CA 1.306 53.323 52.037 -0.034 0.000 0.627 290 A CB -0.359 18.632 19.000 -0.015 0.000 0.815 290 A HN 0.691 nan 8.150 nan 0.000 0.443 291 Q N -2.948 116.831 119.800 -0.035 0.000 2.451 291 Q HA 0.560 4.899 4.340 -0.001 0.000 0.281 291 Q C -1.403 174.635 176.000 0.062 0.000 1.099 291 Q CA -0.447 55.298 55.803 -0.096 0.000 0.806 291 Q CB 1.686 30.392 28.738 -0.052 0.000 1.419 291 Q HN 0.521 nan 8.270 nan 0.000 0.427 292 W N 0.885 121.822 121.300 -0.606 0.000 2.850 292 W HA 0.714 5.373 4.660 -0.001 0.000 0.349 292 W C -0.994 175.188 176.519 -0.562 0.000 1.133 292 W CA -0.780 56.187 57.345 -0.631 0.000 1.117 292 W CB 0.699 29.689 29.460 -0.783 0.000 1.442 292 W HN 0.442 nan 8.180 nan 0.000 0.575 293 L N 1.970 123.178 121.223 -0.024 0.000 2.323 293 L HA 0.709 5.048 4.340 -0.001 0.000 0.265 293 L C -1.096 176.096 176.870 0.538 0.000 1.012 293 L CA -1.339 53.638 54.840 0.228 0.000 0.820 293 L CB 1.740 43.870 42.059 0.119 0.000 1.334 293 L HN 0.134 nan 8.230 nan 0.000 0.427 294 L N 1.883 123.490 121.223 0.640 0.000 2.431 294 L HA 0.583 4.922 4.340 -0.001 0.000 0.266 294 L C -1.581 175.615 176.870 0.545 0.000 0.978 294 L CA -0.292 54.879 54.840 0.550 0.000 0.822 294 L CB 2.086 44.256 42.059 0.186 0.000 1.310 294 L HN 0.474 nan 8.230 nan 0.000 0.409 295 Y N 2.708 123.214 120.300 0.343 0.000 2.433 295 Y HA 0.702 5.251 4.550 -0.001 0.000 0.337 295 Y C -1.093 174.934 175.900 0.212 0.000 1.026 295 Y CA -0.419 57.796 58.100 0.191 0.000 1.037 295 Y CB 1.909 40.332 38.460 -0.062 0.000 1.245 295 Y HN 0.738 nan 8.280 nan 0.000 0.443 296 T N 3.608 117.919 114.554 -0.405 0.000 2.855 296 T HA 0.625 4.974 4.350 -0.001 0.000 0.281 296 T C -1.321 173.064 174.700 -0.524 0.000 1.007 296 T CA -0.410 61.490 62.100 -0.333 0.000 1.009 296 T CB 1.757 70.583 68.868 -0.070 0.000 0.983 296 T HN 0.948 nan 8.240 nan 0.000 0.455 297 H N 1.171 119.976 119.070 -0.442 0.000 2.969 297 H HA 0.321 4.877 4.556 -0.001 0.000 0.304 297 H C -3.363 171.902 175.328 -0.104 0.000 1.400 297 H CA -1.200 54.670 56.048 -0.297 0.000 1.182 297 H CB 1.761 31.269 29.762 -0.423 0.000 1.865 297 H HN 0.420 nan 8.280 nan 0.000 0.512 298 P HA 0.093 nan 4.420 nan 0.000 0.275 298 P C 0.633 178.053 177.300 0.201 0.000 1.227 298 P CA 0.306 63.413 63.100 0.012 0.000 0.781 298 P CB 0.845 32.510 31.700 -0.058 0.000 0.906 299 T N -1.651 112.980 114.554 0.128 0.000 3.057 299 T HA -0.020 4.329 4.350 -0.001 0.000 0.254 299 T C 0.846 175.606 174.700 0.101 0.000 1.094 299 T CA 0.462 62.642 62.100 0.134 0.000 1.088 299 T CB -0.535 68.356 68.868 0.037 0.000 0.934 299 T HN 0.354 nan 8.240 nan 0.000 0.497 300 H N 2.101 121.184 119.070 0.021 0.000 2.771 300 H HA 0.262 4.818 4.556 -0.001 0.000 0.364 300 H C 0.967 176.277 175.328 -0.031 0.000 1.133 300 H CA 0.981 57.036 56.048 0.011 0.000 1.423 300 H CB 1.368 31.154 29.762 0.040 0.000 1.425 300 H HN 0.386 nan 8.280 nan 0.000 0.606 301 S N 1.760 117.401 115.700 -0.099 0.000 2.559 301 S HA 0.024 4.493 4.470 -0.001 0.000 0.226 301 S C 1.179 175.585 174.600 -0.323 0.000 1.000 301 S CA -0.675 57.363 58.200 -0.271 0.000 0.948 301 S CB 0.084 62.946 63.200 -0.563 0.000 0.870 301 S HN 0.701 nan 8.310 nan 0.000 0.497 302 W N 2.448 123.975 121.300 0.378 0.000 2.915 302 W HA 0.391 5.050 4.660 -0.001 0.000 0.276 302 W C 1.161 177.781 176.519 0.168 0.000 1.215 302 W CA -0.481 57.015 57.345 0.251 0.000 1.514 302 W CB 0.455 30.087 29.460 0.286 0.000 1.017 302 W HN 0.406 nan 8.180 nan 0.000 0.598 303 Q N -0.575 119.419 119.800 0.323 0.000 2.831 303 Q HA 0.489 4.828 4.340 -0.001 0.000 0.322 303 Q C -0.540 175.466 176.000 0.011 0.000 0.923 303 Q CA -1.151 54.684 55.803 0.052 0.000 0.767 303 Q CB 0.909 29.569 28.738 -0.129 0.000 1.469 303 Q HN -0.100 nan 8.270 nan 0.000 0.496 304 R N 0.181 120.669 120.500 -0.021 0.000 2.825 304 R HA 0.663 5.002 4.340 -0.001 0.000 0.261 304 R C -0.989 175.267 176.300 -0.074 0.000 1.341 304 R CA 0.120 56.210 56.100 -0.017 0.000 1.353 304 R CB 0.773 31.086 30.300 0.023 0.000 1.191 304 R HN 0.566 nan 8.270 nan 0.000 0.590 305 A N 1.144 123.930 122.820 -0.056 0.000 2.583 305 A HA 0.458 4.777 4.320 -0.001 0.000 0.289 305 A C -1.207 176.379 177.584 0.003 0.000 1.151 305 A CA -0.853 51.149 52.037 -0.058 0.000 0.695 305 A CB 1.070 19.999 19.000 -0.118 0.000 1.290 305 A HN 0.599 nan 8.150 nan 0.000 0.419 306 D N -0.362 120.021 120.400 -0.028 0.000 3.508 306 D HA -0.141 4.499 4.640 -0.001 0.000 0.232 306 D C -0.471 175.772 176.300 -0.094 0.000 1.131 306 D CA 0.764 54.736 54.000 -0.047 0.000 1.040 306 D CB -0.932 39.880 40.800 0.019 0.000 0.879 306 D HN 0.603 nan 8.370 nan 0.000 0.407 307 L N 1.116 122.221 121.223 -0.196 0.000 2.462 307 L HA 0.433 4.772 4.340 -0.001 0.000 0.272 307 L C 0.966 177.699 176.870 -0.229 0.000 1.166 307 L CA 0.795 55.483 54.840 -0.254 0.000 0.880 307 L CB 0.936 42.691 42.059 -0.507 0.000 1.142 307 L HN 0.338 nan 8.230 nan 0.000 0.473 308 G N 3.564 112.271 108.800 -0.157 0.000 2.533 308 G HA2 0.783 4.742 3.960 -0.001 0.000 0.304 308 G HA3 0.783 4.742 3.960 -0.001 0.000 0.304 308 G C -1.713 173.095 174.900 -0.155 0.000 1.263 308 G CA -0.314 44.662 45.100 -0.206 0.000 0.964 308 G HN 0.951 nan 8.290 nan 0.000 0.479 309 A N 0.230 122.929 122.820 -0.203 0.000 2.318 309 A HA 0.801 5.120 4.320 -0.001 0.000 0.324 309 A C -1.568 176.115 177.584 0.165 0.000 1.170 309 A CA -0.563 51.484 52.037 0.017 0.000 0.810 309 A CB 0.876 19.856 19.000 -0.033 0.000 1.198 309 A HN 0.580 nan 8.150 nan 0.000 0.484 310 Y N 0.928 121.419 120.300 0.319 0.000 2.468 310 Y HA 0.623 5.172 4.550 -0.001 0.000 0.342 310 Y C -0.039 176.164 175.900 0.506 0.000 1.021 310 Y CA -0.839 57.520 58.100 0.431 0.000 1.079 310 Y CB 1.901 40.512 38.460 0.252 0.000 1.226 310 Y HN 0.643 nan 8.280 nan 0.000 0.460 311 L N 2.981 124.437 121.223 0.389 0.000 2.342 311 L HA 0.550 4.890 4.340 -0.001 0.000 0.271 311 L C -1.006 175.916 176.870 0.087 0.000 1.008 311 L CA -0.693 54.180 54.840 0.055 0.000 0.818 311 L CB 1.745 43.279 42.059 -0.875 0.000 1.296 311 L HN 0.710 nan 8.230 nan 0.000 0.427 312 N N 5.030 123.606 118.700 -0.206 0.000 2.664 312 N HA 0.280 5.019 4.740 -0.001 0.000 0.257 312 N C -2.214 172.866 175.510 -0.718 0.000 1.108 312 N CA -1.468 51.185 53.050 -0.662 0.000 0.822 312 N CB 1.860 39.471 38.487 -1.460 0.000 1.199 312 N HN 0.340 nan 8.380 nan 0.000 0.529 313 P HA 0.014 nan 4.420 nan 0.000 0.237 313 P C -0.313 176.319 177.300 -1.114 0.000 1.178 313 P CA 0.536 62.577 63.100 -1.765 0.000 0.766 313 P CB 0.473 31.240 31.700 -1.554 0.000 0.876 314 R N 0.481 120.588 120.500 -0.655 0.000 2.674 314 R HA 0.306 4.646 4.340 -0.001 0.000 0.270 314 R C -2.526 173.563 176.300 -0.352 0.000 1.492 314 R CA -1.610 54.258 56.100 -0.388 0.000 1.624 314 R CB 1.023 31.143 30.300 -0.299 0.000 1.307 314 R HN 0.200 nan 8.270 nan 0.000 0.683 315 P HA 0.121 nan 4.420 nan 0.000 0.275 315 P C -2.157 175.029 177.300 -0.190 0.000 1.228 315 P CA -0.955 61.956 63.100 -0.315 0.000 0.786 315 P CB 1.056 32.596 31.700 -0.266 0.000 0.927 316 P HA 0.211 nan 4.420 nan 0.000 0.262 316 P C 0.024 177.180 177.300 -0.240 0.000 1.651 316 P CA -0.360 62.607 63.100 -0.222 0.000 1.119 316 P CB -0.062 31.575 31.700 -0.106 0.000 1.552 317 A N 2.406 125.082 122.820 -0.240 0.000 2.540 317 A HA 0.113 4.432 4.320 -0.001 0.000 0.264 317 A C -1.129 176.316 177.584 -0.232 0.000 1.080 317 A CA -0.460 51.461 52.037 -0.194 0.000 0.776 317 A CB -0.452 18.441 19.000 -0.178 0.000 1.011 317 A HN 0.117 nan 8.150 nan 0.000 0.514 318 P HA -0.245 nan 4.420 nan 0.000 0.216 318 P C 1.527 178.857 177.300 0.049 0.000 1.153 318 P CA 1.678 64.786 63.100 0.013 0.000 0.858 318 P CB 0.193 31.920 31.700 0.045 0.000 0.789 319 E N 0.021 120.213 120.200 -0.015 0.000 2.338 319 E HA -0.110 4.240 4.350 -0.001 0.000 0.197 319 E C 1.735 178.321 176.600 -0.025 0.000 1.007 319 E CA 1.386 57.786 56.400 0.001 0.000 0.849 319 E CB -1.037 28.650 29.700 -0.021 0.000 0.774 319 E HN 0.146 nan 8.360 nan 0.000 0.506 320 A N 1.155 123.901 122.820 -0.123 0.000 2.015 320 A HA -0.065 4.254 4.320 -0.001 0.000 0.219 320 A C 0.794 178.287 177.584 -0.150 0.000 1.163 320 A CA 0.084 52.003 52.037 -0.198 0.000 0.646 320 A CB -1.024 17.777 19.000 -0.332 0.000 0.806 320 A HN 0.354 nan 8.150 nan 0.000 0.448 321 W N 1.615 122.854 121.300 -0.100 0.000 2.477 321 W HA 0.152 4.811 4.660 -0.001 0.000 0.339 321 W C 1.186 177.697 176.519 -0.014 0.000 1.195 321 W CA 0.444 57.752 57.345 -0.061 0.000 1.324 321 W CB 0.490 29.910 29.460 -0.067 0.000 1.170 321 W HN 0.403 nan 8.180 nan 0.000 0.570 322 S N 1.829 117.769 115.700 0.400 0.000 2.738 322 S HA 0.432 4.901 4.470 -0.001 0.000 0.284 322 S C -0.280 174.502 174.600 0.303 0.000 1.146 322 S CA -1.097 57.243 58.200 0.233 0.000 0.997 322 S CB 1.168 64.415 63.200 0.080 0.000 1.081 322 S HN 0.525 nan 8.310 nan 0.000 0.553 323 E N 1.802 122.113 120.200 0.187 0.000 2.349 323 E HA 0.350 4.699 4.350 -0.001 0.000 0.265 323 E C -2.106 174.488 176.600 -0.011 0.000 1.064 323 E CA -1.914 54.544 56.400 0.098 0.000 0.886 323 E CB 0.365 30.102 29.700 0.062 0.000 1.036 323 E HN 0.525 nan 8.360 nan 0.000 0.413 324 P HA 0.119 nan 4.420 nan 0.000 0.277 324 P C -0.836 176.292 177.300 -0.287 0.000 1.271 324 P CA -0.345 62.407 63.100 -0.579 0.000 0.795 324 P CB 0.947 31.998 31.700 -1.082 0.000 1.101 325 V N 1.416 121.124 119.914 -0.343 0.000 2.623 325 V HA 0.257 4.377 4.120 -0.001 0.000 0.304 325 V C -0.296 175.602 176.094 -0.327 0.000 1.054 325 V CA -1.157 60.939 62.300 -0.341 0.000 0.882 325 V CB 1.411 32.922 31.823 -0.519 0.000 1.002 325 V HN 0.374 nan 8.190 nan 0.000 0.424 326 L N 6.893 127.961 121.223 -0.257 0.000 2.597 326 L HA 0.136 4.475 4.340 -0.001 0.000 0.271 326 L C 0.945 177.647 176.870 -0.280 0.000 1.157 326 L CA 0.362 55.062 54.840 -0.233 0.000 0.928 326 L CB 0.749 42.708 42.059 -0.167 0.000 1.216 326 L HN 0.746 nan 8.230 nan 0.000 0.481 327 L N 4.504 125.536 121.223 -0.319 0.000 2.416 327 L HA 0.281 4.620 4.340 -0.001 0.000 0.216 327 L C 0.609 177.303 176.870 -0.293 0.000 1.098 327 L CA 0.150 54.771 54.840 -0.366 0.000 0.840 327 L CB 0.060 41.864 42.059 -0.424 0.000 0.981 327 L HN 0.710 nan 8.230 nan 0.000 0.462 328 A N 0.109 122.762 122.820 -0.279 0.000 2.532 328 A HA 0.493 4.813 4.320 -0.001 0.000 0.296 328 A C -1.112 176.383 177.584 -0.149 0.000 1.058 328 A CA -0.688 51.223 52.037 -0.211 0.000 0.729 328 A CB 1.084 19.880 19.000 -0.341 0.000 1.285 328 A HN -0.023 nan 8.150 nan 0.000 0.396 329 K N 1.196 121.547 120.400 -0.081 0.000 2.143 329 K HA 0.679 4.998 4.320 -0.001 0.000 0.272 329 K C 0.659 177.238 176.600 -0.034 0.000 1.001 329 K CA 0.608 56.864 56.287 -0.051 0.000 0.915 329 K CB 1.529 34.009 32.500 -0.034 0.000 1.047 329 K HN 1.967 nan 8.250 nan 0.000 0.458 330 G N 1.017 109.801 108.800 -0.028 0.000 2.548 330 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.208 330 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.208 330 G C -0.496 174.372 174.900 -0.054 0.000 1.308 330 G CA -0.523 44.558 45.100 -0.033 0.000 0.924 330 G HN 0.546 nan 8.290 nan 0.000 0.540 331 S N -0.856 114.804 115.700 -0.066 0.000 2.629 331 S HA 0.384 4.853 4.470 -0.001 0.000 0.302 331 S C 0.267 174.822 174.600 -0.075 0.000 1.244 331 S CA 0.785 58.923 58.200 -0.103 0.000 1.098 331 S CB -1.291 61.829 63.200 -0.134 0.000 0.858 331 S HN 1.417 nan 8.310 nan 0.000 0.502 332 C N 4.164 123.413 119.300 -0.086 0.000 2.782 332 C HA 0.885 5.344 4.460 -0.001 0.000 0.328 332 C C 0.631 175.604 174.990 -0.029 0.000 1.145 332 C CA -0.215 58.783 59.018 -0.033 0.000 1.358 332 C CB 1.014 28.683 27.740 -0.118 0.000 1.841 332 C HN 1.121 nan 8.230 nan 0.000 0.477 333 A N 1.019 123.882 122.820 0.072 0.000 4.106 333 A HA 0.822 5.141 4.320 -0.001 0.000 0.175 333 A C -1.222 176.524 177.584 0.271 0.000 0.668 333 A CA -0.273 51.868 52.037 0.173 0.000 0.819 333 A CB -0.413 18.772 19.000 0.310 0.000 1.738 333 A HN 0.677 nan 8.150 nan 0.000 0.848 334 Y N 1.627 122.000 120.300 0.123 0.000 3.059 334 Y HA 0.239 4.788 4.550 -0.001 0.000 0.343 334 Y C 1.338 177.329 175.900 0.151 0.000 1.273 334 Y CA 0.907 59.075 58.100 0.113 0.000 1.572 334 Y CB -0.039 38.505 38.460 0.141 0.000 1.228 334 Y HN 0.753 nan 8.280 nan 0.000 0.610 335 S N 1.097 116.923 115.700 0.211 0.000 2.651 335 S HA 0.747 5.216 4.470 -0.001 0.000 0.279 335 S C -1.637 173.095 174.600 0.221 0.000 1.148 335 S CA -0.971 57.373 58.200 0.240 0.000 0.837 335 S CB 3.196 66.507 63.200 0.184 0.000 1.138 335 S HN 0.483 nan 8.310 nan 0.000 0.478 336 D N -0.168 120.387 120.400 0.258 0.000 2.947 336 D HA 0.573 5.212 4.640 -0.001 0.000 0.224 336 D C -1.426 175.017 176.300 0.238 0.000 1.230 336 D CA -0.337 53.826 54.000 0.272 0.000 0.871 336 D CB 1.765 42.757 40.800 0.318 0.000 1.671 336 D HN 0.646 nan 8.370 nan 0.000 0.507 337 L N 2.025 123.357 121.223 0.181 0.000 2.319 337 L HA 0.616 4.955 4.340 -0.001 0.000 0.267 337 L C -0.549 176.301 176.870 -0.034 0.000 1.011 337 L CA -0.700 54.216 54.840 0.126 0.000 0.818 337 L CB 1.834 43.992 42.059 0.165 0.000 1.316 337 L HN 0.256 nan 8.230 nan 0.000 0.432 338 Q N 1.199 121.034 119.800 0.058 0.000 2.295 338 Q HA 0.230 4.570 4.340 -0.001 0.000 0.268 338 Q C -1.189 174.837 176.000 0.043 0.000 1.010 338 Q CA -0.396 55.424 55.803 0.028 0.000 0.856 338 Q CB 2.375 31.171 28.738 0.095 0.000 1.349 338 Q HN 0.546 nan 8.270 nan 0.000 0.412 339 S N 2.584 118.315 115.700 0.051 0.000 2.474 339 S HA 0.343 4.812 4.470 -0.001 0.000 0.276 339 S C 0.596 174.978 174.600 -0.364 0.000 1.227 339 S CA -0.104 58.070 58.200 -0.043 0.000 1.050 339 S CB 0.160 63.431 63.200 0.118 0.000 0.939 339 S HN 0.604 nan 8.310 nan 0.000 0.490 340 M N 4.767 124.004 119.600 -0.606 0.000 2.404 340 M HA 0.295 4.774 4.480 -0.001 0.000 0.271 340 M C 1.081 176.983 176.300 -0.663 0.000 1.128 340 M CA 0.238 54.904 55.300 -1.057 0.000 0.982 340 M CB 0.002 32.062 32.600 -0.900 0.000 1.445 340 M HN 0.974 nan 8.290 nan 0.000 0.495 341 G N 0.450 109.007 108.800 -0.404 0.000 2.484 341 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.225 341 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.225 341 G C -0.447 174.282 174.900 -0.285 0.000 1.250 341 G CA -0.693 44.261 45.100 -0.243 0.000 0.926 341 G HN 0.222 nan 8.290 nan 0.000 0.581 342 T N 1.727 116.156 114.554 -0.208 0.000 2.771 342 T HA 0.603 4.953 4.350 -0.001 0.000 0.291 342 T C 1.087 175.666 174.700 -0.202 0.000 0.954 342 T CA 0.639 62.629 62.100 -0.183 0.000 1.045 342 T CB 1.176 69.982 68.868 -0.103 0.000 0.917 342 T HN 1.374 nan 8.240 nan 0.000 0.484 343 G N 2.986 111.665 108.800 -0.202 0.000 2.588 343 G HA2 0.331 4.290 3.960 -0.001 0.000 0.278 343 G HA3 0.331 4.290 3.960 -0.001 0.000 0.278 343 G C -1.546 173.305 174.900 -0.081 0.000 1.307 343 G CA -1.299 43.709 45.100 -0.153 0.000 1.016 343 G HN 0.414 nan 8.290 nan 0.000 0.503 344 P HA 0.026 nan 4.420 nan 0.000 0.223 344 P C 0.619 177.856 177.300 -0.105 0.000 1.151 344 P CA 1.143 64.191 63.100 -0.087 0.000 0.787 344 P CB 0.235 31.794 31.700 -0.235 0.000 0.788 345 D N -1.938 118.402 120.400 -0.101 0.000 2.427 345 D HA 0.175 4.814 4.640 -0.001 0.000 0.224 345 D C 1.328 177.591 176.300 -0.062 0.000 1.157 345 D CA -0.124 53.824 54.000 -0.087 0.000 0.828 345 D CB -0.852 39.888 40.800 -0.099 0.000 0.974 345 D HN 0.144 nan 8.370 nan 0.000 0.498 346 G N 0.333 109.102 108.800 -0.052 0.000 2.220 346 G HA2 -0.326 3.633 3.960 -0.001 0.000 0.269 346 G HA3 -0.326 3.633 3.960 -0.001 0.000 0.269 346 G C 0.527 175.418 174.900 -0.014 0.000 0.977 346 G CA 0.755 45.839 45.100 -0.027 0.000 0.634 346 G HN 0.841 nan 8.290 nan 0.000 0.539 347 S N -0.054 115.627 115.700 -0.031 0.000 2.730 347 S HA 0.752 5.221 4.470 -0.001 0.000 0.284 347 S C -2.728 171.794 174.600 -0.130 0.000 1.153 347 S CA -1.594 56.608 58.200 0.002 0.000 0.995 347 S CB 2.272 65.502 63.200 0.050 0.000 1.058 347 S HN 0.072 nan 8.310 nan 0.000 0.552 348 P HA 0.253 nan 4.420 nan 0.000 0.267 348 P C -0.970 175.755 177.300 -0.958 0.000 1.209 348 P CA -0.276 62.499 63.100 -0.541 0.000 0.763 348 P CB 0.230 31.572 31.700 -0.596 0.000 0.816 349 L N 5.676 126.363 121.223 -0.893 0.000 2.292 349 L HA 0.528 4.867 4.340 -0.001 0.000 0.284 349 L C -1.087 175.124 176.870 -1.098 0.000 1.065 349 L CA 0.020 54.367 54.840 -0.822 0.000 0.806 349 L CB -0.220 41.536 42.059 -0.506 0.000 1.175 349 L HN 0.167 nan 8.230 nan 0.000 0.431 350 F N 2.592 122.229 119.950 -0.522 0.000 2.532 350 F HA 0.722 5.248 4.527 -0.001 0.000 0.321 350 F C 0.701 176.204 175.800 -0.494 0.000 1.089 350 F CA -0.800 56.842 58.000 -0.597 0.000 0.926 350 F CB 2.053 40.488 39.000 -0.942 0.000 1.168 350 F HN 0.532 nan 8.300 nan 0.000 0.459 351 G N 0.742 109.524 108.800 -0.030 0.000 2.478 351 G HA2 0.511 4.470 3.960 -0.001 0.000 0.317 351 G HA3 0.511 4.470 3.960 -0.001 0.000 0.317 351 G C -1.827 173.198 174.900 0.210 0.000 1.259 351 G CA -0.643 44.556 45.100 0.165 0.000 0.933 351 G HN 0.863 nan 8.290 nan 0.000 0.478 352 C N 3.825 123.240 119.300 0.191 0.000 2.441 352 C HA 0.783 5.242 4.460 -0.001 0.000 0.318 352 C C -0.885 174.312 174.990 0.345 0.000 1.222 352 C CA -0.776 58.417 59.018 0.292 0.000 1.474 352 C CB 0.611 28.573 27.740 0.370 0.000 2.125 352 C HN 0.635 nan 8.230 nan 0.000 0.479 353 L N 7.041 128.479 121.223 0.359 0.000 2.325 353 L HA 0.731 5.070 4.340 -0.001 0.000 0.281 353 L C -0.722 176.330 176.870 0.303 0.000 1.004 353 L CA -0.047 54.971 54.840 0.297 0.000 0.823 353 L CB 1.223 43.467 42.059 0.308 0.000 1.236 353 L HN 0.778 nan 8.230 nan 0.000 0.415 354 Y N 0.902 121.300 120.300 0.163 0.000 2.544 354 Y HA 0.608 5.157 4.550 -0.001 0.000 0.342 354 Y C -0.792 175.184 175.900 0.126 0.000 1.062 354 Y CA -1.259 56.923 58.100 0.136 0.000 1.023 354 Y CB 0.989 39.499 38.460 0.084 0.000 1.308 354 Y HN 0.571 nan 8.280 nan 0.000 0.457 355 E N 2.480 122.858 120.200 0.296 0.000 2.299 355 E HA 0.525 4.874 4.350 -0.001 0.000 0.272 355 E C -0.562 176.151 176.600 0.187 0.000 1.043 355 E CA -0.114 56.408 56.400 0.203 0.000 0.895 355 E CB 0.920 30.784 29.700 0.274 0.000 1.011 355 E HN 0.775 nan 8.360 nan 0.000 0.432 356 A N 3.596 126.463 122.820 0.078 0.000 2.387 356 A HA 0.461 4.781 4.320 -0.001 0.000 0.298 356 A C -0.295 177.276 177.584 -0.021 0.000 1.165 356 A CA -0.899 51.188 52.037 0.083 0.000 0.814 356 A CB 0.719 19.799 19.000 0.134 0.000 1.357 356 A HN 0.667 nan 8.150 nan 0.000 0.443 357 N N 0.877 119.562 118.700 -0.025 0.000 2.686 357 N HA -0.181 4.558 4.740 -0.001 0.000 0.261 357 N C -0.261 175.198 175.510 -0.086 0.000 1.001 357 N CA 1.806 54.830 53.050 -0.044 0.000 0.764 357 N CB -0.886 37.597 38.487 -0.006 0.000 0.898 357 N HN 0.873 nan 8.380 nan 0.000 0.544 358 D N -0.557 119.719 120.400 -0.207 0.000 2.699 358 D HA -0.273 4.366 4.640 -0.001 0.000 0.239 358 D C -0.486 175.721 176.300 -0.155 0.000 1.136 358 D CA 1.297 55.135 54.000 -0.271 0.000 0.668 358 D CB -1.306 39.453 40.800 -0.068 0.000 1.060 358 D HN 0.584 nan 8.370 nan 0.000 0.429 359 Y N -2.363 117.957 120.300 0.033 0.000 4.079 359 Y HA -0.292 4.257 4.550 -0.001 0.000 0.223 359 Y C 1.325 177.251 175.900 0.044 0.000 1.155 359 Y CA 1.173 59.289 58.100 0.028 0.000 1.805 359 Y CB -2.234 36.224 38.460 -0.003 0.000 1.571 359 Y HN 0.484 nan 8.280 nan 0.000 0.654 360 E N 0.837 121.109 120.200 0.121 0.000 2.501 360 E HA 0.189 4.538 4.350 -0.001 0.000 0.200 360 E C 0.493 177.158 176.600 0.109 0.000 1.016 360 E CA 0.565 57.035 56.400 0.116 0.000 0.921 360 E CB 0.443 30.189 29.700 0.077 0.000 1.034 360 E HN 0.706 nan 8.360 nan 0.000 0.468 361 E N 0.033 120.297 120.200 0.106 0.000 2.393 361 E HA 0.278 4.627 4.350 -0.001 0.000 0.282 361 E C -1.454 175.183 176.600 0.062 0.000 1.096 361 E CA -0.623 55.827 56.400 0.083 0.000 0.866 361 E CB 0.682 30.398 29.700 0.026 0.000 1.232 361 E HN -0.073 nan 8.360 nan 0.000 0.431 362 I N 2.042 122.651 120.570 0.066 0.000 2.436 362 I HA 0.433 4.602 4.170 -0.001 0.000 0.289 362 I C -0.719 175.319 176.117 -0.131 0.000 1.010 362 I CA -1.224 60.089 61.300 0.022 0.000 1.098 362 I CB 1.967 40.088 38.000 0.202 0.000 1.266 362 I HN 0.369 nan 8.210 nan 0.000 0.434 363 V N 5.922 125.599 119.914 -0.395 0.000 2.581 363 V HA 0.374 4.493 4.120 -0.001 0.000 0.303 363 V C -0.545 175.350 176.094 -0.332 0.000 1.041 363 V CA -0.752 61.272 62.300 -0.459 0.000 0.907 363 V CB 1.966 33.376 31.823 -0.689 0.000 0.994 363 V HN 0.448 nan 8.190 nan 0.000 0.442 364 F N 5.201 124.987 119.950 -0.274 0.000 2.404 364 F HA 0.779 5.305 4.527 -0.001 0.000 0.339 364 F C -0.889 174.958 175.800 0.078 0.000 1.105 364 F CA -0.981 56.964 58.000 -0.092 0.000 1.087 364 F CB 1.297 40.211 39.000 -0.144 0.000 1.143 364 F HN 0.340 nan 8.300 nan 0.000 0.491 365 L N 7.375 128.231 121.223 -0.612 0.000 2.410 365 L HA 0.586 4.925 4.340 -0.001 0.000 0.270 365 L C -1.286 175.271 176.870 -0.521 0.000 0.983 365 L CA -0.663 53.969 54.840 -0.347 0.000 0.822 365 L CB 1.852 44.015 42.059 0.172 0.000 1.285 365 L HN 0.832 nan 8.230 nan 0.000 0.409 366 M N 5.783 125.214 119.600 -0.281 0.000 2.259 366 M HA 0.714 5.193 4.480 -0.001 0.000 0.304 366 M C -1.794 174.622 176.300 0.195 0.000 1.019 366 M CA -0.415 54.819 55.300 -0.110 0.000 0.922 366 M CB 1.301 33.881 32.600 -0.033 0.000 1.600 366 M HN 0.510 nan 8.290 nan 0.000 0.433 367 F N 0.604 120.582 119.950 0.048 0.000 2.711 367 F HA 0.864 5.390 4.527 -0.001 0.000 0.313 367 F C -0.849 175.021 175.800 0.116 0.000 1.141 367 F CA -0.824 57.220 58.000 0.073 0.000 0.941 367 F CB 0.964 39.995 39.000 0.053 0.000 1.349 367 F HN 0.554 nan 8.300 nan 0.000 0.464 368 T N -0.654 114.035 114.554 0.225 0.000 2.952 368 T HA 0.412 4.761 4.350 -0.001 0.000 0.286 368 T C 0.429 175.331 174.700 0.336 0.000 1.024 368 T CA -0.580 61.570 62.100 0.083 0.000 1.029 368 T CB 1.735 70.596 68.868 -0.012 0.000 1.094 368 T HN 0.933 nan 8.240 nan 0.000 0.515 369 L N 1.089 122.503 121.223 0.319 0.000 2.083 369 L HA 0.141 4.481 4.340 -0.001 0.000 0.209 369 L C 2.605 179.706 176.870 0.385 0.000 1.083 369 L CA 1.875 57.041 54.840 0.542 0.000 0.752 369 L CB -0.901 41.475 42.059 0.528 0.000 0.899 369 L HN 0.900 nan 8.230 nan 0.000 0.433 370 K N -1.241 119.231 120.400 0.120 0.000 2.211 370 K HA -0.205 4.114 4.320 -0.001 0.000 0.204 370 K C 1.996 178.566 176.600 -0.049 0.000 1.047 370 K CA 1.509 57.675 56.287 -0.202 0.000 0.935 370 K CB 0.048 32.315 32.500 -0.389 0.000 0.728 370 K HN 0.561 nan 8.250 nan 0.000 0.452 371 Q N -0.771 119.065 119.800 0.059 0.000 2.036 371 Q HA -0.019 4.320 4.340 -0.001 0.000 0.195 371 Q C 2.170 178.161 176.000 -0.014 0.000 0.971 371 Q CA 1.102 56.927 55.803 0.037 0.000 0.826 371 Q CB -0.073 28.721 28.738 0.094 0.000 0.896 371 Q HN 0.329 nan 8.270 nan 0.000 0.449 372 A N 0.486 123.315 122.820 0.015 0.000 1.877 372 A HA -0.103 4.216 4.320 -0.001 0.000 0.216 372 A C 0.669 177.922 177.584 -0.552 0.000 1.186 372 A CA 1.202 53.044 52.037 -0.325 0.000 0.620 372 A CB -0.167 18.660 19.000 -0.288 0.000 0.822 372 A HN 0.330 nan 8.150 nan 0.000 0.443 373 F N -0.527 119.537 119.950 0.189 0.000 2.542 373 F HA 0.300 4.826 4.527 -0.001 0.000 0.323 373 F C -1.645 174.319 175.800 0.273 0.000 1.411 373 F CA -1.945 56.184 58.000 0.215 0.000 1.124 373 F CB 1.145 40.314 39.000 0.281 0.000 1.331 373 F HN 0.124 nan 8.300 nan 0.000 0.560 374 P HA -0.223 nan 4.420 nan 0.000 0.221 374 P C 1.562 179.060 177.300 0.330 0.000 1.145 374 P CA 1.391 64.615 63.100 0.207 0.000 0.795 374 P CB 0.341 32.075 31.700 0.056 0.000 0.775 375 A N 0.884 123.881 122.820 0.296 0.000 1.917 375 A HA -0.202 4.117 4.320 -0.001 0.000 0.219 375 A C 1.962 179.717 177.584 0.285 0.000 1.182 375 A CA 1.652 53.838 52.037 0.248 0.000 0.633 375 A CB -1.512 17.616 19.000 0.213 0.000 0.819 375 A HN 0.137 nan 8.150 nan 0.000 0.448 376 E N -1.221 119.201 120.200 0.370 0.000 2.385 376 E HA 0.166 4.516 4.350 -0.001 0.000 0.201 376 E C -0.998 175.670 176.600 0.113 0.000 1.250 376 E CA 0.155 56.709 56.400 0.256 0.000 1.104 376 E CB -0.416 29.467 29.700 0.304 0.000 1.174 376 E HN 0.648 nan 8.360 nan 0.000 0.461 377 Y N 0.000 120.392 120.300 0.153 0.000 2.660 377 Y HA 0.000 4.549 4.550 -0.001 0.000 0.201 377 Y CA 0.000 58.171 58.100 0.118 0.000 1.940 377 Y CB 0.000 38.527 38.460 0.112 0.000 1.050 377 Y HN 0.000 nan 8.280 nan 0.000 0.758