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 2gpj_1_A DATA FIRST_RESID 5 DATA SEQUENCE PAPRELEVIR STYITPHXLR ITLGGAGLAG FPADQESAYI KLLFPQAGER DATA SEQUENCE PLXRTYTIRQ QRDDEIDVDF VLHDTDGPAS SWAKTAQVGE LIQIGGPGLK DATA SEQUENCE KLINFEADWF LLAGDXTALP AISVNLAKLP NNAVGYAVIE VLSEADIQPL DATA SEQUENCE VHPEHVELHW VINPEADPEG RPLVERIAQL PWLAGEPAVW IACEFNSXRA DATA SEQUENCE LRRHFKQAHA LPKSHFYTSS YWKIGCNEGE HKLVKQEDEQ LENG 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 5 P HA 0.000 nan 4.420 nan 0.000 0.216 5 P C 0.000 177.301 177.300 0.001 0.000 1.155 5 P CA 0.000 63.100 63.100 -0.000 0.000 0.800 5 P CB 0.000 31.699 31.700 -0.002 0.000 0.726 6 A N 3.704 126.524 122.820 0.001 0.000 2.340 6 A HA 0.743 5.074 4.320 0.019 0.000 0.268 6 A C -1.966 175.618 177.584 0.001 0.000 1.100 6 A CA -0.852 51.184 52.037 -0.001 0.000 0.803 6 A CB -0.453 18.546 19.000 -0.002 0.000 1.043 6 A HN 0.470 nan 8.150 nan 0.000 0.488 7 P HA 0.399 nan 4.420 nan 0.000 0.274 7 P C -0.625 176.671 177.300 -0.007 0.000 1.256 7 P CA -0.361 62.734 63.100 -0.009 0.000 0.795 7 P CB 0.419 32.099 31.700 -0.033 0.000 1.038 8 R N 0.504 121.002 120.500 -0.004 0.000 2.297 8 R HA 0.278 4.630 4.340 0.019 0.000 0.308 8 R C 0.091 176.367 176.300 -0.040 0.000 1.029 8 R CA -0.495 55.600 56.100 -0.008 0.000 0.929 8 R CB 0.653 30.960 30.300 0.012 0.000 1.046 8 R HN 0.472 nan 8.270 nan 0.000 0.461 9 E N 3.624 123.803 120.200 -0.036 0.000 2.180 9 E HA 0.162 4.524 4.350 0.019 0.000 0.283 9 E C -0.849 175.725 176.600 -0.044 0.000 1.061 9 E CA -0.152 56.221 56.400 -0.045 0.000 0.861 9 E CB 0.522 30.203 29.700 -0.030 0.000 1.056 9 E HN 0.344 nan 8.360 nan 0.000 0.407 10 L N 3.374 124.564 121.223 -0.055 0.000 2.333 10 L HA 0.492 4.843 4.340 0.019 0.000 0.269 10 L C -0.061 176.804 176.870 -0.009 0.000 1.010 10 L CA -0.917 53.895 54.840 -0.047 0.000 0.818 10 L CB 1.898 43.911 42.059 -0.077 0.000 1.306 10 L HN 0.570 nan 8.230 nan 0.000 0.430 11 E N 0.778 120.978 120.200 -0.000 0.000 2.166 11 E HA 0.350 4.712 4.350 0.019 0.000 0.275 11 E C -1.251 175.372 176.600 0.037 0.000 0.941 11 E CA -0.773 55.642 56.400 0.024 0.000 0.784 11 E CB 2.113 31.818 29.700 0.007 0.000 1.115 11 E HN 0.290 nan 8.360 nan 0.000 0.399 12 V N 6.778 126.730 119.914 0.064 0.000 2.446 12 V HA -0.001 4.130 4.120 0.019 0.000 0.276 12 V C 1.090 177.182 176.094 -0.002 0.000 1.030 12 V CA 0.660 62.985 62.300 0.042 0.000 1.033 12 V CB 0.493 32.321 31.823 0.009 0.000 0.993 12 V HN 0.788 nan 8.190 nan 0.000 0.477 13 I N 3.793 124.358 120.570 -0.008 0.000 3.081 13 I HA 0.238 4.420 4.170 0.019 0.000 0.274 13 I C 1.112 177.211 176.117 -0.029 0.000 1.178 13 I CA 0.444 61.734 61.300 -0.017 0.000 1.460 13 I CB 0.328 38.321 38.000 -0.013 0.000 1.137 13 I HN 0.519 nan 8.210 nan 0.000 0.443 14 R N -0.750 119.728 120.500 -0.037 0.000 2.629 14 R HA 0.430 4.781 4.340 0.019 0.000 0.266 14 R C -1.410 174.845 176.300 -0.074 0.000 1.051 14 R CA -0.273 55.798 56.100 -0.048 0.000 0.895 14 R CB 2.166 32.448 30.300 -0.029 0.000 1.246 14 R HN -0.155 nan 8.270 nan 0.000 0.459 15 S N 0.684 116.323 115.700 -0.101 0.000 2.532 15 S HA 0.712 5.194 4.470 0.019 0.000 0.299 15 S C -1.489 173.030 174.600 -0.136 0.000 1.105 15 S CA -0.287 57.820 58.200 -0.156 0.000 1.018 15 S CB 1.675 64.742 63.200 -0.222 0.000 1.021 15 S HN 0.496 nan 8.310 nan 0.000 0.483 16 T N 4.120 118.580 114.554 -0.156 0.000 3.071 16 T HA 0.326 4.688 4.350 0.019 0.000 0.311 16 T C -1.593 173.031 174.700 -0.127 0.000 1.042 16 T CA -0.366 61.680 62.100 -0.090 0.000 1.028 16 T CB 0.471 69.324 68.868 -0.025 0.000 1.068 16 T HN 0.501 nan 8.240 nan 0.000 0.451 17 Y N 3.372 123.660 120.300 -0.019 0.000 2.436 17 Y HA 0.191 4.752 4.550 0.018 0.000 0.336 17 Y C 1.334 177.234 175.900 -0.001 0.000 1.049 17 Y CA -0.671 57.420 58.100 -0.015 0.000 1.294 17 Y CB 0.368 38.805 38.460 -0.038 0.000 1.179 17 Y HN 0.556 nan 8.280 nan 0.000 0.520 18 I N 1.123 121.791 120.570 0.162 0.000 2.628 18 I HA 0.006 4.188 4.170 0.019 0.000 0.255 18 I C 0.994 177.175 176.117 0.106 0.000 1.119 18 I CA 0.947 62.315 61.300 0.113 0.000 1.448 18 I CB -0.733 37.329 38.000 0.102 0.000 1.133 18 I HN 0.629 nan 8.210 nan 0.000 0.438 19 T N -3.440 111.196 114.554 0.135 0.000 2.792 19 T HA 0.399 4.760 4.350 0.019 0.000 0.303 19 T C -2.409 172.337 174.700 0.077 0.000 1.310 19 T CA -1.186 60.961 62.100 0.078 0.000 1.007 19 T CB 1.806 70.714 68.868 0.066 0.000 1.335 19 T HN -0.312 nan 8.240 nan 0.000 0.504 20 P HA -0.040 nan 4.420 nan 0.000 0.217 20 P C 0.040 177.158 177.300 -0.304 0.000 1.151 20 P CA 1.523 64.462 63.100 -0.269 0.000 0.849 20 P CB -0.139 31.338 31.700 -0.372 0.000 0.787 24 R N 5.790 126.292 120.500 0.002 0.000 2.207 24 R HA 0.704 5.056 4.340 0.019 0.000 0.334 24 R C -1.035 175.286 176.300 0.035 0.000 1.013 24 R CA -0.570 55.576 56.100 0.078 0.000 0.858 24 R CB 0.655 30.988 30.300 0.054 0.000 1.094 24 R HN 0.622 nan 8.270 nan 0.000 0.457 25 I N 4.016 124.666 120.570 0.134 0.000 2.359 25 I HA 0.212 4.394 4.170 0.019 0.000 0.294 25 I C 0.014 176.186 176.117 0.093 0.000 0.987 25 I CA -0.428 60.915 61.300 0.071 0.000 1.225 25 I CB 1.815 39.890 38.000 0.125 0.000 1.366 25 I HN 0.638 nan 8.210 nan 0.000 0.466 26 T N 7.535 122.110 114.554 0.036 0.000 2.758 26 T HA 0.593 4.955 4.350 0.019 0.000 0.285 26 T C 0.090 174.806 174.700 0.026 0.000 0.981 26 T CA -0.410 61.706 62.100 0.028 0.000 0.965 26 T CB 1.003 69.874 68.868 0.006 0.000 0.927 26 T HN 0.256 nan 8.240 nan 0.000 0.448 27 L N 2.637 123.871 121.223 0.018 0.000 2.325 27 L HA 0.866 5.217 4.340 0.019 0.000 0.278 27 L C 0.850 177.694 176.870 -0.043 0.000 1.023 27 L CA -0.498 54.342 54.840 -0.000 0.000 0.811 27 L CB 1.685 43.737 42.059 -0.012 0.000 1.249 27 L HN 0.841 nan 8.230 nan 0.000 0.431 28 G N 0.182 108.958 108.800 -0.039 0.000 2.793 28 G HA2 0.697 4.668 3.960 0.019 0.000 0.248 28 G HA3 0.697 4.668 3.960 0.019 0.000 0.248 28 G C -0.512 174.363 174.900 -0.041 0.000 1.198 28 G CA -0.128 44.941 45.100 -0.051 0.000 0.865 28 G HN 1.021 nan 8.290 nan 0.000 0.534 29 G N -2.058 106.725 108.800 -0.029 0.000 2.661 29 G HA2 0.384 4.355 3.960 0.019 0.000 0.685 29 G HA3 0.384 4.355 3.960 0.019 0.000 0.685 29 G C 1.069 175.957 174.900 -0.019 0.000 1.298 29 G CA 0.768 45.856 45.100 -0.020 0.000 0.855 29 G HN 2.026 nan 8.290 nan 0.000 0.560 30 A N -0.460 122.353 122.820 -0.011 0.000 2.032 30 A HA 0.210 4.541 4.320 0.019 0.000 0.221 30 A C 2.780 180.361 177.584 -0.004 0.000 1.165 30 A CA 2.689 54.723 52.037 -0.005 0.000 0.645 30 A CB -0.803 18.195 19.000 -0.003 0.000 0.807 30 A HN 2.443 nan 8.150 nan 0.000 0.453 31 G N -1.351 107.442 108.800 -0.012 0.000 2.625 31 G HA2 0.066 4.038 3.960 0.019 0.000 0.214 31 G HA3 0.066 4.038 3.960 0.019 0.000 0.214 31 G C 1.100 175.995 174.900 -0.008 0.000 1.132 31 G CA 0.866 45.960 45.100 -0.011 0.000 0.782 31 G HN 0.435 nan 8.290 nan 0.000 0.538 32 L N 0.619 121.830 121.223 -0.020 0.000 2.585 32 L HA 0.562 4.913 4.340 0.019 0.000 0.226 32 L C 1.772 178.682 176.870 0.066 0.000 1.113 32 L CA -0.320 54.507 54.840 -0.023 0.000 0.876 32 L CB -0.239 41.759 42.059 -0.101 0.000 1.072 32 L HN 0.127 nan 8.230 nan 0.000 0.468 33 A N -0.334 122.515 122.820 0.047 0.000 2.567 33 A HA 0.381 4.713 4.320 0.019 0.000 0.240 33 A C 1.618 179.248 177.584 0.077 0.000 1.053 33 A CA 0.659 52.727 52.037 0.053 0.000 0.755 33 A CB -0.832 18.186 19.000 0.030 0.000 0.978 33 A HN 0.985 nan 8.150 nan 0.000 0.507 34 G N 1.237 110.081 108.800 0.073 0.000 2.189 34 G HA2 -0.283 3.689 3.960 0.019 0.000 0.267 34 G HA3 -0.283 3.689 3.960 0.019 0.000 0.267 34 G C 0.181 175.129 174.900 0.079 0.000 0.975 34 G CA 0.472 45.606 45.100 0.056 0.000 0.644 34 G HN 1.339 nan 8.290 nan 0.000 0.537 35 F N 3.442 123.380 119.950 -0.020 0.000 2.572 35 F HA 0.458 4.996 4.527 0.019 0.000 0.370 35 F C -0.761 175.024 175.800 -0.026 0.000 1.103 35 F CA -1.342 56.643 58.000 -0.025 0.000 1.286 35 F CB 0.587 39.573 39.000 -0.022 0.000 1.105 35 F HN 0.054 nan 8.300 nan 0.000 0.583 36 P HA 0.266 nan 4.420 nan 0.000 0.274 36 P C -1.165 176.063 177.300 -0.120 0.000 1.231 36 P CA -0.471 62.483 63.100 -0.243 0.000 0.790 36 P CB 0.796 32.301 31.700 -0.325 0.000 0.951 37 A N 1.366 124.157 122.820 -0.048 0.000 2.313 37 A HA 0.346 4.677 4.320 0.019 0.000 0.261 37 A C 0.542 178.111 177.584 -0.024 0.000 1.090 37 A CA 0.128 52.164 52.037 -0.001 0.000 0.807 37 A CB -0.555 18.444 19.000 -0.002 0.000 1.055 37 A HN 0.642 nan 8.150 nan 0.000 0.492 38 D N -1.222 119.179 120.400 0.001 0.000 2.705 38 D HA -0.108 4.544 4.640 0.019 0.000 0.240 38 D C 0.261 176.549 176.300 -0.021 0.000 1.137 38 D CA 1.055 55.047 54.000 -0.013 0.000 0.677 38 D CB -0.595 40.184 40.800 -0.034 0.000 1.049 38 D HN 0.463 nan 8.370 nan 0.000 0.427 39 Q N -0.026 119.783 119.800 0.015 0.000 2.188 39 Q HA 0.155 4.506 4.340 0.019 0.000 0.212 39 Q C 0.034 176.063 176.000 0.048 0.000 0.846 39 Q CA 0.010 55.823 55.803 0.016 0.000 0.989 39 Q CB 0.403 29.170 28.738 0.048 0.000 1.114 39 Q HN 0.593 nan 8.270 nan 0.000 0.488 40 E N 0.652 120.875 120.200 0.039 0.000 2.415 40 E HA 0.024 4.386 4.350 0.019 0.000 0.263 40 E C 0.460 177.079 176.600 0.032 0.000 0.995 40 E CA 0.343 56.768 56.400 0.041 0.000 0.915 40 E CB 0.540 30.256 29.700 0.026 0.000 0.951 40 E HN 0.138 nan 8.360 nan 0.000 0.449 41 S N 0.745 116.479 115.700 0.056 0.000 2.319 41 S HA -0.224 4.257 4.470 0.019 0.000 0.253 41 S C 0.295 174.964 174.600 0.115 0.000 1.235 41 S CA 0.622 58.868 58.200 0.077 0.000 1.388 41 S CB -1.149 62.068 63.200 0.028 0.000 1.723 41 S HN 0.789 nan 8.310 nan 0.000 0.611 42 A N 0.759 123.622 122.820 0.071 0.000 2.366 42 A HA 0.567 4.899 4.320 0.019 0.000 0.250 42 A C -0.046 177.597 177.584 0.098 0.000 1.099 42 A CA 0.476 52.531 52.037 0.030 0.000 0.794 42 A CB -0.009 18.952 19.000 -0.064 0.000 1.056 42 A HN 1.492 nan 8.150 nan 0.000 0.499 43 Y N -0.743 119.599 120.300 0.069 0.000 2.509 43 Y HA 0.762 5.323 4.550 0.019 0.000 0.341 43 Y C -0.430 175.515 175.900 0.075 0.000 1.038 43 Y CA -1.755 56.378 58.100 0.055 0.000 1.089 43 Y CB 0.795 39.259 38.460 0.006 0.000 1.241 43 Y HN 0.764 nan 8.280 nan 0.000 0.468 44 I N -0.200 120.557 120.570 0.311 0.000 3.108 44 I HA 0.672 4.853 4.170 0.019 0.000 0.312 44 I C -1.236 175.046 176.117 0.275 0.000 1.095 44 I CA -1.539 59.901 61.300 0.233 0.000 1.000 44 I CB 2.575 40.669 38.000 0.157 0.000 1.229 44 I HN 0.399 nan 8.210 nan 0.000 0.454 45 K N 3.462 123.974 120.400 0.187 0.000 2.339 45 K HA 0.496 4.827 4.320 0.019 0.000 0.264 45 K C -1.220 175.403 176.600 0.039 0.000 0.986 45 K CA -0.746 55.623 56.287 0.137 0.000 0.866 45 K CB 1.987 34.556 32.500 0.115 0.000 1.103 45 K HN 0.419 nan 8.250 nan 0.000 0.441 46 L N 3.603 124.844 121.223 0.031 0.000 2.349 46 L HA 0.355 4.707 4.340 0.019 0.000 0.275 46 L C 0.169 176.829 176.870 -0.351 0.000 1.115 46 L CA -0.019 54.692 54.840 -0.215 0.000 0.820 46 L CB 0.190 42.121 42.059 -0.213 0.000 1.135 46 L HN 0.371 nan 8.230 nan 0.000 0.445 47 L N 3.908 124.798 121.223 -0.554 0.000 2.317 47 L HA 0.493 4.844 4.340 0.019 0.000 0.281 47 L C -0.972 175.423 176.870 -0.791 0.000 1.024 47 L CA -0.256 54.314 54.840 -0.450 0.000 0.810 47 L CB 1.093 43.010 42.059 -0.237 0.000 1.240 47 L HN 0.365 nan 8.230 nan 0.000 0.427 48 F N 2.948 122.857 119.950 -0.068 0.000 2.691 48 F HA 0.346 4.884 4.527 0.019 0.000 0.371 48 F C -1.644 174.141 175.800 -0.025 0.000 1.159 48 F CA -1.629 56.334 58.000 -0.062 0.000 1.174 48 F CB 0.927 39.903 39.000 -0.040 0.000 1.419 48 F HN 0.289 nan 8.300 nan 0.000 0.514 49 P HA -0.270 nan 4.420 nan 0.000 0.230 49 P C -0.280 177.060 177.300 0.067 0.000 1.150 49 P CA 1.832 64.965 63.100 0.055 0.000 0.933 49 P CB 0.035 31.758 31.700 0.038 0.000 0.785 50 Q N -4.244 115.606 119.800 0.084 0.000 3.238 50 Q HA -0.155 4.197 4.340 0.019 0.000 0.025 50 Q C -0.254 175.774 176.000 0.046 0.000 1.711 50 Q CA 0.972 56.814 55.803 0.065 0.000 0.239 50 Q CB -1.495 27.281 28.738 0.064 0.000 0.585 50 Q HN 0.349 nan 8.270 nan 0.000 0.322 51 A N 1.256 124.099 122.820 0.038 0.000 2.354 51 A HA 0.553 4.885 4.320 0.019 0.000 0.281 51 A C 1.340 178.939 177.584 0.025 0.000 1.174 51 A CA 0.901 52.956 52.037 0.030 0.000 0.828 51 A CB 0.119 19.135 19.000 0.027 0.000 1.099 51 A HN 1.856 nan 8.150 nan 0.000 0.516 52 G N 1.578 110.391 108.800 0.022 0.000 2.212 52 G HA2 -0.195 3.776 3.960 0.019 0.000 0.267 52 G HA3 -0.195 3.776 3.960 0.019 0.000 0.267 52 G C 0.044 174.955 174.900 0.019 0.000 1.002 52 G CA 0.935 46.046 45.100 0.019 0.000 0.729 52 G HN 0.821 nan 8.290 nan 0.000 0.517 53 E N -1.138 119.076 120.200 0.024 0.000 2.456 53 E HA 0.413 4.774 4.350 0.019 0.000 0.276 53 E C 0.358 176.974 176.600 0.027 0.000 0.981 53 E CA -1.136 55.279 56.400 0.024 0.000 0.814 53 E CB 0.926 30.642 29.700 0.027 0.000 1.382 53 E HN 0.336 nan 8.360 nan 0.000 0.459 54 R N 1.506 122.022 120.500 0.027 0.000 2.697 54 R HA 0.091 4.442 4.340 0.019 0.000 0.265 54 R C -1.922 174.403 176.300 0.041 0.000 1.009 54 R CA -0.796 55.322 56.100 0.029 0.000 1.099 54 R CB -0.378 29.938 30.300 0.027 0.000 0.965 54 R HN 0.170 nan 8.270 nan 0.000 0.428 55 P HA 0.008 nan 4.420 nan 0.000 0.271 55 P C -0.020 177.332 177.300 0.087 0.000 1.216 55 P CA 0.119 63.257 63.100 0.063 0.000 0.776 55 P CB 0.589 32.308 31.700 0.031 0.000 0.881 59 T N 2.895 117.442 114.554 -0.011 0.000 2.799 59 T HA 0.696 5.057 4.350 0.019 0.000 0.286 59 T C -0.756 173.714 174.700 -0.383 0.000 0.973 59 T CA -0.153 61.886 62.100 -0.103 0.000 1.035 59 T CB 0.571 69.294 68.868 -0.241 0.000 0.932 59 T HN 0.282 nan 8.240 nan 0.000 0.469 60 Y N 0.262 120.542 120.300 -0.033 0.000 2.581 60 Y HA 0.473 5.034 4.550 0.018 0.000 0.345 60 Y C 0.521 176.421 175.900 0.000 0.000 1.036 60 Y CA -0.993 57.054 58.100 -0.089 0.000 1.042 60 Y CB 2.103 40.437 38.460 -0.210 0.000 1.289 60 Y HN 0.472 nan 8.280 nan 0.000 0.471 61 T N 3.052 117.691 114.554 0.142 0.000 2.829 61 T HA 0.470 4.831 4.350 0.019 0.000 0.282 61 T C -0.107 174.669 174.700 0.126 0.000 0.990 61 T CA -0.584 61.606 62.100 0.151 0.000 1.028 61 T CB 0.431 69.395 68.868 0.160 0.000 0.951 61 T HN 0.328 nan 8.240 nan 0.000 0.460 62 I N 3.740 124.385 120.570 0.124 0.000 2.471 62 I HA 0.117 4.298 4.170 0.019 0.000 0.294 62 I C 1.664 177.833 176.117 0.086 0.000 1.123 62 I CA -0.159 61.200 61.300 0.098 0.000 1.336 62 I CB 0.463 38.532 38.000 0.116 0.000 1.430 62 I HN 0.532 nan 8.210 nan 0.000 0.533 63 R N 5.367 125.912 120.500 0.075 0.000 2.075 63 R HA 0.075 4.426 4.340 0.019 0.000 0.226 63 R C 0.136 176.470 176.300 0.056 0.000 1.114 63 R CA 1.588 57.731 56.100 0.071 0.000 0.972 63 R CB 0.233 30.578 30.300 0.076 0.000 0.869 63 R HN 0.641 nan 8.270 nan 0.000 0.437 64 Q N -0.699 119.132 119.800 0.051 0.000 2.377 64 Q HA 0.305 4.657 4.340 0.019 0.000 0.279 64 Q C -1.768 174.254 176.000 0.037 0.000 1.049 64 Q CA -0.767 55.060 55.803 0.041 0.000 0.825 64 Q CB 2.725 31.485 28.738 0.036 0.000 1.401 64 Q HN 0.140 nan 8.270 nan 0.000 0.404 65 Q N 2.038 121.860 119.800 0.038 0.000 2.292 65 Q HA 0.482 4.833 4.340 0.019 0.000 0.270 65 Q C -1.380 174.638 176.000 0.031 0.000 1.024 65 Q CA -0.355 55.472 55.803 0.040 0.000 0.768 65 Q CB 1.601 30.385 28.738 0.076 0.000 1.250 65 Q HN 0.534 nan 8.270 nan 0.000 0.447 66 R N 1.106 121.619 120.500 0.020 0.000 2.875 66 R HA 0.219 4.570 4.340 0.019 0.000 0.251 66 R C 0.301 176.614 176.300 0.022 0.000 1.123 66 R CA -0.441 55.669 56.100 0.018 0.000 1.064 66 R CB 0.670 30.976 30.300 0.009 0.000 1.205 66 R HN 0.720 nan 8.270 nan 0.000 0.503 67 D N -0.285 120.127 120.400 0.020 0.000 2.350 67 D HA -0.160 4.492 4.640 0.019 0.000 0.216 67 D C 0.515 176.826 176.300 0.018 0.000 0.968 67 D CA 1.044 55.059 54.000 0.026 0.000 0.894 67 D CB -0.071 40.741 40.800 0.020 0.000 0.909 67 D HN 0.580 nan 8.370 nan 0.000 0.520 68 D N -0.935 119.468 120.400 0.005 0.000 2.500 68 D HA 0.056 4.708 4.640 0.019 0.000 0.217 68 D C 0.264 176.549 176.300 -0.025 0.000 1.159 68 D CA -0.263 53.734 54.000 -0.006 0.000 0.828 68 D CB -0.049 40.749 40.800 -0.004 0.000 1.039 68 D HN 0.529 nan 8.370 nan 0.000 0.512 69 E N 0.116 120.298 120.200 -0.031 0.000 2.429 69 E HA 0.502 4.864 4.350 0.019 0.000 0.280 69 E C -0.959 175.606 176.600 -0.059 0.000 1.068 69 E CA -1.183 55.185 56.400 -0.053 0.000 0.837 69 E CB 1.576 31.258 29.700 -0.031 0.000 1.357 69 E HN 0.125 nan 8.360 nan 0.000 0.455 70 I N -1.587 118.935 120.570 -0.080 0.000 2.828 70 I HA 0.635 4.817 4.170 0.019 0.000 0.302 70 I C -1.438 174.668 176.117 -0.018 0.000 1.101 70 I CA -1.023 60.241 61.300 -0.061 0.000 1.031 70 I CB 2.365 40.283 38.000 -0.136 0.000 1.231 70 I HN 0.270 nan 8.210 nan 0.000 0.427 71 D N 4.147 124.556 120.400 0.014 0.000 2.192 71 D HA 0.593 5.245 4.640 0.019 0.000 0.246 71 D C -0.727 175.608 176.300 0.058 0.000 1.042 71 D CA -0.217 53.809 54.000 0.043 0.000 0.847 71 D CB 2.838 43.666 40.800 0.047 0.000 1.186 71 D HN 0.344 nan 8.370 nan 0.000 0.461 72 V N 2.259 122.227 119.914 0.091 0.000 2.531 72 V HA 0.243 4.375 4.120 0.019 0.000 0.301 72 V C -0.673 175.482 176.094 0.102 0.000 1.034 72 V CA -0.887 61.444 62.300 0.051 0.000 0.865 72 V CB 2.079 33.890 31.823 -0.020 0.000 0.995 72 V HN 0.346 nan 8.190 nan 0.000 0.424 73 D N 4.117 124.551 120.400 0.057 0.000 2.280 73 D HA 0.513 5.165 4.640 0.019 0.000 0.236 73 D C -0.750 175.623 176.300 0.122 0.000 1.082 73 D CA 0.068 54.157 54.000 0.148 0.000 0.834 73 D CB 1.256 42.140 40.800 0.140 0.000 1.100 73 D HN 0.251 nan 8.370 nan 0.000 0.486 74 F N 1.282 121.315 119.950 0.138 0.000 2.404 74 F HA 0.248 4.786 4.527 0.018 0.000 0.354 74 F C 0.515 176.424 175.800 0.183 0.000 1.122 74 F CA -0.999 57.125 58.000 0.207 0.000 1.080 74 F CB 1.157 40.209 39.000 0.086 0.000 1.131 74 F HN -0.020 nan 8.300 nan 0.000 0.471 75 V N 5.268 125.395 119.914 0.355 0.000 2.521 75 V HA 0.010 4.142 4.120 0.019 0.000 0.286 75 V C 0.549 176.791 176.094 0.247 0.000 1.034 75 V CA -0.336 62.121 62.300 0.262 0.000 1.045 75 V CB 0.673 32.600 31.823 0.174 0.000 0.974 75 V HN 0.526 nan 8.190 nan 0.000 0.480 76 L N 6.656 127.998 121.223 0.198 0.000 2.480 76 L HA 0.260 4.611 4.340 0.019 0.000 0.243 76 L C 0.690 177.594 176.870 0.057 0.000 1.315 76 L CA -0.550 54.346 54.840 0.094 0.000 1.231 76 L CB -1.019 41.129 42.059 0.148 0.000 1.444 76 L HN 0.857 nan 8.230 nan 0.000 0.409 77 H N -2.269 116.830 119.070 0.049 0.000 2.679 77 H HA 0.264 4.831 4.556 0.019 0.000 0.369 77 H C -0.425 174.897 175.328 -0.010 0.000 1.178 77 H CA -0.906 55.116 56.048 -0.045 0.000 1.419 77 H CB 0.412 30.059 29.762 -0.191 0.000 1.458 77 H HN 0.194 nan 8.280 nan 0.000 0.605 78 D N 0.423 120.905 120.400 0.138 0.000 2.382 78 D HA 0.134 4.785 4.640 0.019 0.000 0.240 78 D C -0.221 176.216 176.300 0.228 0.000 1.146 78 D CA 1.088 55.159 54.000 0.119 0.000 0.897 78 D CB 0.264 41.119 40.800 0.092 0.000 1.197 78 D HN 0.828 nan 8.370 nan 0.000 0.432 79 T N 1.380 116.012 114.554 0.131 0.000 2.995 79 T HA -0.153 4.208 4.350 0.019 0.000 0.456 79 T C -0.702 174.113 174.700 0.191 0.000 0.777 79 T CA -0.196 61.989 62.100 0.141 0.000 2.404 79 T CB -0.920 68.035 68.868 0.144 0.000 1.682 79 T HN 0.394 nan 8.240 nan 0.000 0.624 80 D N 1.167 121.603 120.400 0.060 0.000 2.472 80 D HA 0.414 5.065 4.640 0.019 0.000 0.237 80 D C 1.002 177.369 176.300 0.113 0.000 1.141 80 D CA 1.129 55.133 54.000 0.006 0.000 0.875 80 D CB 0.907 41.683 40.800 -0.039 0.000 1.192 80 D HN 0.712 nan 8.370 nan 0.000 0.450 81 G N 1.038 109.927 108.800 0.150 0.000 2.932 81 G HA2 0.383 4.354 3.960 0.019 0.000 0.283 81 G HA3 0.383 4.354 3.960 0.019 0.000 0.283 81 G C -1.765 173.124 174.900 -0.018 0.000 1.336 81 G CA -0.870 44.292 45.100 0.103 0.000 1.056 81 G HN 0.194 nan 8.290 nan 0.000 0.522 82 P HA -0.134 nan 4.420 nan 0.000 0.216 82 P C 1.700 178.702 177.300 -0.497 0.000 1.150 82 P CA 2.000 64.817 63.100 -0.471 0.000 0.843 82 P CB 0.209 31.442 31.700 -0.779 0.000 0.787 83 A N 0.778 123.532 122.820 -0.110 0.000 1.855 83 A HA -0.092 4.239 4.320 0.019 0.000 0.213 83 A C 2.517 180.315 177.584 0.358 0.000 1.195 83 A CA 2.066 54.307 52.037 0.340 0.000 0.610 83 A CB -1.407 18.004 19.000 0.684 0.000 0.837 83 A HN 0.347 nan 8.150 nan 0.000 0.444 84 S N -0.535 115.343 115.700 0.297 0.000 2.383 84 S HA -0.145 4.336 4.470 0.019 0.000 0.227 84 S C 2.143 176.730 174.600 -0.022 0.000 1.026 84 S CA 1.674 59.952 58.200 0.130 0.000 0.981 84 S CB -0.733 62.390 63.200 -0.128 0.000 0.818 84 S HN 0.494 nan 8.310 nan 0.000 0.472 85 S N 0.359 116.051 115.700 -0.015 0.000 2.368 85 S HA -0.124 4.357 4.470 0.019 0.000 0.225 85 S C 1.399 175.983 174.600 -0.027 0.000 1.030 85 S CA 1.262 59.438 58.200 -0.041 0.000 0.999 85 S CB -0.779 62.400 63.200 -0.034 0.000 0.844 85 S HN 0.810 nan 8.310 nan 0.000 0.459 86 W N 2.166 123.388 121.300 -0.128 0.000 2.358 86 W HA -0.078 4.594 4.660 0.019 0.000 0.303 86 W C 2.357 178.750 176.519 -0.210 0.000 1.208 86 W CA 1.695 58.988 57.345 -0.086 0.000 1.274 86 W CB -0.822 28.708 29.460 0.116 0.000 1.138 86 W HN 0.345 nan 8.180 nan 0.000 0.515 87 A N 0.705 123.330 122.820 -0.326 0.000 1.883 87 A HA -0.241 4.090 4.320 0.019 0.000 0.217 87 A C 1.981 179.193 177.584 -0.619 0.000 1.186 87 A CA 2.103 53.660 52.037 -0.799 0.000 0.624 87 A CB -0.807 17.535 19.000 -1.096 0.000 0.822 87 A HN 0.383 nan 8.150 nan 0.000 0.444 88 K N -0.702 119.468 120.400 -0.383 0.000 2.209 88 K HA -0.099 4.232 4.320 0.019 0.000 0.204 88 K C 1.691 178.122 176.600 -0.283 0.000 1.048 88 K CA 1.647 57.770 56.287 -0.273 0.000 0.940 88 K CB -0.255 32.155 32.500 -0.151 0.000 0.729 88 K HN 0.740 nan 8.250 nan 0.000 0.451 89 T N -2.265 112.080 114.554 -0.348 0.000 3.069 89 T HA 0.307 4.669 4.350 0.019 0.000 0.252 89 T C 0.541 174.983 174.700 -0.430 0.000 1.053 89 T CA -0.409 61.507 62.100 -0.306 0.000 0.964 89 T CB 0.330 69.067 68.868 -0.219 0.000 1.005 89 T HN 0.054 nan 8.240 nan 0.000 0.532 90 A N 2.444 124.855 122.820 -0.681 0.000 2.491 90 A HA 0.445 4.776 4.320 0.019 0.000 0.261 90 A C 0.405 177.719 177.584 -0.449 0.000 1.101 90 A CA -0.397 51.145 52.037 -0.825 0.000 0.772 90 A CB 0.172 18.366 19.000 -1.343 0.000 1.043 90 A HN 0.476 nan 8.150 nan 0.000 0.501 91 Q N 1.420 121.040 119.800 -0.301 0.000 2.205 91 Q HA 0.382 4.733 4.340 0.019 0.000 0.249 91 Q C -0.220 175.699 176.000 -0.134 0.000 0.948 91 Q CA -0.774 54.922 55.803 -0.179 0.000 0.895 91 Q CB 1.649 30.317 28.738 -0.117 0.000 1.249 91 Q HN 0.498 nan 8.270 nan 0.000 0.458 92 V N 0.921 120.776 119.914 -0.098 0.000 2.585 92 V HA 0.238 4.369 4.120 0.019 0.000 0.296 92 V C 1.321 177.392 176.094 -0.038 0.000 1.035 92 V CA 1.590 63.852 62.300 -0.064 0.000 1.084 92 V CB 0.292 32.083 31.823 -0.053 0.000 0.953 92 V HN 1.116 nan 8.190 nan 0.000 0.483 93 G N 3.414 112.203 108.800 -0.019 0.000 2.194 93 G HA2 -0.232 3.740 3.960 0.019 0.000 0.236 93 G HA3 -0.232 3.740 3.960 0.019 0.000 0.236 93 G C 0.205 175.114 174.900 0.015 0.000 0.987 93 G CA 0.262 45.360 45.100 -0.004 0.000 0.635 93 G HN 0.790 nan 8.290 nan 0.000 0.520 94 E N 0.336 120.550 120.200 0.023 0.000 2.366 94 E HA 0.579 4.940 4.350 0.019 0.000 0.266 94 E C 0.392 177.068 176.600 0.127 0.000 1.051 94 E CA -0.589 55.855 56.400 0.073 0.000 0.884 94 E CB 0.341 30.083 29.700 0.069 0.000 1.006 94 E HN 0.363 nan 8.360 nan 0.000 0.417 95 L N 4.918 126.218 121.223 0.128 0.000 2.331 95 L HA 0.622 4.973 4.340 0.019 0.000 0.275 95 L C -0.127 176.784 176.870 0.070 0.000 1.022 95 L CA -0.875 54.016 54.840 0.085 0.000 0.812 95 L CB 1.401 43.480 42.059 0.033 0.000 1.257 95 L HN 0.602 nan 8.230 nan 0.000 0.435 96 I N 1.107 121.654 120.570 -0.038 0.000 2.644 96 I HA 0.244 4.426 4.170 0.019 0.000 0.291 96 I C -1.081 174.903 176.117 -0.221 0.000 1.180 96 I CA -0.286 60.872 61.300 -0.238 0.000 1.040 96 I CB 2.223 39.893 38.000 -0.550 0.000 1.255 96 I HN 0.651 nan 8.210 nan 0.000 0.422 97 Q N 6.955 126.605 119.800 -0.249 0.000 2.261 97 Q HA 0.587 4.938 4.340 0.019 0.000 0.252 97 Q C -0.738 175.135 176.000 -0.212 0.000 0.915 97 Q CA -0.359 55.334 55.803 -0.183 0.000 0.915 97 Q CB 2.120 30.773 28.738 -0.143 0.000 1.204 97 Q HN 0.589 nan 8.270 nan 0.000 0.421 98 I N -2.219 118.274 120.570 -0.129 0.000 3.002 98 I HA 0.890 5.072 4.170 0.019 0.000 0.310 98 I C -0.396 175.708 176.117 -0.021 0.000 1.087 98 I CA -1.119 60.126 61.300 -0.091 0.000 1.017 98 I CB 2.225 40.186 38.000 -0.066 0.000 1.226 98 I HN 0.552 nan 8.210 nan 0.000 0.443 99 G N 0.935 109.743 108.800 0.013 0.000 2.473 99 G HA2 0.802 4.773 3.960 0.019 0.000 0.321 99 G HA3 0.802 4.773 3.960 0.019 0.000 0.321 99 G C -0.436 174.515 174.900 0.085 0.000 1.200 99 G CA -0.594 44.534 45.100 0.047 0.000 0.963 99 G HN 1.468 nan 8.290 nan 0.000 0.483 100 G N 0.346 109.186 108.800 0.067 0.000 2.343 100 G HA2 0.339 4.310 3.960 0.019 0.000 0.465 100 G HA3 0.339 4.310 3.960 0.019 0.000 0.465 100 G C -3.197 171.704 174.900 0.001 0.000 1.282 100 G CA -0.416 44.698 45.100 0.024 0.000 0.996 100 G HN 0.785 nan 8.290 nan 0.000 0.521 101 P HA 0.532 nan 4.420 nan 0.000 0.282 101 P C 0.506 177.582 177.300 -0.373 0.000 1.249 101 P CA 0.396 63.375 63.100 -0.201 0.000 0.806 101 P CB 1.336 32.886 31.700 -0.249 0.000 0.984 102 G N 2.065 110.408 108.800 -0.762 0.000 2.476 102 G HA2 0.415 4.387 3.960 0.019 0.000 0.286 102 G HA3 0.415 4.387 3.960 0.019 0.000 0.286 102 G C -0.054 174.434 174.900 -0.688 0.000 1.177 102 G CA -0.886 43.614 45.100 -0.999 0.000 0.870 102 G HN 0.474 nan 8.290 nan 0.000 0.528 103 L N 0.618 121.659 121.223 -0.303 0.000 2.514 103 L HA 0.109 4.461 4.340 0.019 0.000 0.280 103 L C 1.256 178.101 176.870 -0.042 0.000 1.223 103 L CA 0.102 54.864 54.840 -0.130 0.000 0.864 103 L CB 0.507 42.545 42.059 -0.036 0.000 1.118 103 L HN 0.657 nan 8.230 nan 0.000 0.494 104 K N 2.578 122.961 120.400 -0.027 0.000 2.126 104 K HA 0.344 4.675 4.320 0.019 0.000 0.257 104 K C -0.684 175.939 176.600 0.038 0.000 1.007 104 K CA -0.838 55.474 56.287 0.043 0.000 0.928 104 K CB 1.253 33.760 32.500 0.012 0.000 1.013 104 K HN 0.204 nan 8.250 nan 0.000 0.473 105 K N 3.407 123.847 120.400 0.067 0.000 2.507 105 K HA 0.303 4.634 4.320 0.019 0.000 0.253 105 K C -1.319 175.326 176.600 0.075 0.000 0.969 105 K CA -0.445 55.825 56.287 -0.029 0.000 0.908 105 K CB 0.669 32.982 32.500 -0.311 0.000 1.127 105 K HN 0.690 nan 8.250 nan 0.000 0.437 106 L N 4.333 125.555 121.223 -0.001 0.000 2.399 106 L HA 0.488 4.840 4.340 0.019 0.000 0.265 106 L C 0.862 177.785 176.870 0.088 0.000 1.089 106 L CA -1.214 53.611 54.840 -0.025 0.000 0.802 106 L CB 0.978 42.983 42.059 -0.090 0.000 1.180 106 L HN 0.613 nan 8.230 nan 0.000 0.454 107 I N 1.698 122.317 120.570 0.082 0.000 2.872 107 I HA -0.103 4.078 4.170 0.019 0.000 0.291 107 I C 0.677 176.968 176.117 0.290 0.000 1.216 107 I CA 0.075 61.521 61.300 0.244 0.000 1.424 107 I CB 0.392 38.477 38.000 0.141 0.000 1.351 107 I HN 0.638 nan 8.210 nan 0.000 0.592 108 N N 5.953 124.780 118.700 0.211 0.000 2.429 108 N HA -0.061 4.691 4.740 0.019 0.000 0.271 108 N C 0.231 175.973 175.510 0.388 0.000 1.272 108 N CA 0.406 53.541 53.050 0.142 0.000 0.921 108 N CB 0.300 38.679 38.487 -0.180 0.000 1.128 108 N HN 0.448 nan 8.380 nan 0.000 0.481 109 F N 1.193 121.200 119.950 0.094 0.000 2.748 109 F HA 0.063 4.602 4.527 0.021 0.000 0.299 109 F C 1.435 177.384 175.800 0.249 0.000 1.154 109 F CA 0.234 58.352 58.000 0.197 0.000 1.446 109 F CB -0.058 38.972 39.000 0.050 0.000 1.112 109 F HN 0.520 nan 8.300 nan 0.000 0.584 110 E N 0.940 121.315 120.200 0.292 0.000 2.069 110 E HA 0.520 4.881 4.350 0.019 0.000 0.254 110 E C -0.731 175.979 176.600 0.184 0.000 1.088 110 E CA -0.227 56.292 56.400 0.200 0.000 1.017 110 E CB -0.195 29.592 29.700 0.144 0.000 1.226 110 E HN 0.175 nan 8.360 nan 0.000 0.458 111 A N 2.790 125.657 122.820 0.079 0.000 2.608 111 A HA 0.224 4.556 4.320 0.019 0.000 0.292 111 A C -0.172 177.248 177.584 -0.273 0.000 1.066 111 A CA -0.732 51.235 52.037 -0.117 0.000 0.676 111 A CB 1.205 20.028 19.000 -0.294 0.000 1.277 111 A HN 0.429 nan 8.150 nan 0.000 0.413 112 D N 0.075 120.328 120.400 -0.244 0.000 2.194 112 D HA 0.061 4.712 4.640 0.019 0.000 0.204 112 D C 0.288 176.516 176.300 -0.120 0.000 0.964 112 D CA 1.747 55.691 54.000 -0.094 0.000 0.846 112 D CB 0.217 41.068 40.800 0.085 0.000 0.962 112 D HN 0.636 nan 8.370 nan 0.000 0.490 113 W N -0.372 120.559 121.300 -0.614 0.000 2.988 113 W HA 0.557 5.228 4.660 0.019 0.000 0.355 113 W C -1.849 174.148 176.519 -0.869 0.000 1.233 113 W CA -1.046 55.920 57.345 -0.631 0.000 1.176 113 W CB 0.047 29.301 29.460 -0.343 0.000 1.477 113 W HN -0.370 nan 8.180 nan 0.000 0.582 114 F N 1.577 121.573 119.950 0.077 0.000 2.576 114 F HA 0.671 5.209 4.527 0.018 0.000 0.313 114 F C -0.677 175.173 175.800 0.082 0.000 1.078 114 F CA -1.171 56.797 58.000 -0.052 0.000 0.921 114 F CB 2.072 41.037 39.000 -0.058 0.000 1.232 114 F HN 0.154 nan 8.300 nan 0.000 0.459 115 L N 4.028 125.371 121.223 0.200 0.000 2.441 115 L HA 0.675 5.027 4.340 0.019 0.000 0.270 115 L C -1.850 175.150 176.870 0.215 0.000 0.973 115 L CA -0.320 54.684 54.840 0.272 0.000 0.842 115 L CB 1.329 43.570 42.059 0.304 0.000 1.239 115 L HN 0.561 nan 8.230 nan 0.000 0.406 116 L N 5.112 126.455 121.223 0.200 0.000 2.317 116 L HA 0.991 5.342 4.340 0.019 0.000 0.281 116 L C -0.202 176.768 176.870 0.167 0.000 1.024 116 L CA -0.413 54.540 54.840 0.189 0.000 0.810 116 L CB 1.850 43.940 42.059 0.052 0.000 1.240 116 L HN 0.810 nan 8.230 nan 0.000 0.427 117 A N 1.975 124.920 122.820 0.208 0.000 2.520 117 A HA 0.962 5.294 4.320 0.019 0.000 0.298 117 A C -0.509 177.158 177.584 0.139 0.000 1.051 117 A CA 0.049 52.165 52.037 0.132 0.000 0.690 117 A CB 1.916 20.980 19.000 0.107 0.000 1.281 117 A HN 0.827 nan 8.150 nan 0.000 0.402 118 G N 0.686 109.546 108.800 0.101 0.000 2.342 118 G HA2 0.577 4.549 3.960 0.019 0.000 0.297 118 G HA3 0.577 4.549 3.960 0.019 0.000 0.297 118 G C -1.774 173.196 174.900 0.115 0.000 1.313 118 G CA 0.093 45.248 45.100 0.093 0.000 0.830 118 G HN 1.151 nan 8.290 nan 0.000 0.506 122 A N 0.740 123.766 122.820 0.344 0.000 2.348 122 A HA 0.665 4.997 4.320 0.019 0.000 0.224 122 A C 1.903 179.653 177.584 0.276 0.000 1.227 122 A CA 0.429 52.685 52.037 0.365 0.000 0.885 122 A CB -0.312 18.817 19.000 0.214 0.000 0.933 122 A HN 0.385 nan 8.150 nan 0.000 0.506 123 L N 0.939 122.296 121.223 0.224 0.000 2.046 123 L HA 0.011 4.363 4.340 0.019 0.000 0.208 123 L C -0.914 176.040 176.870 0.140 0.000 1.077 123 L CA 2.259 57.203 54.840 0.174 0.000 0.747 123 L CB -1.220 40.967 42.059 0.212 0.000 0.896 123 L HN 0.125 nan 8.230 nan 0.000 0.432 124 P HA -0.159 nan 4.420 nan 0.000 0.215 124 P C 1.597 178.948 177.300 0.086 0.000 1.157 124 P CA 2.185 65.361 63.100 0.126 0.000 0.868 124 P CB -0.210 31.576 31.700 0.144 0.000 0.788 125 A N -0.850 122.042 122.820 0.119 0.000 1.898 125 A HA -0.154 4.178 4.320 0.019 0.000 0.216 125 A C 2.243 179.683 177.584 -0.240 0.000 1.181 125 A CA 1.372 53.422 52.037 0.022 0.000 0.620 125 A CB -1.623 17.522 19.000 0.241 0.000 0.819 125 A HN 0.109 nan 8.150 nan 0.000 0.442 126 I N 0.701 121.133 120.570 -0.231 0.000 2.286 126 I HA -0.245 3.936 4.170 0.019 0.000 0.248 126 I C 2.864 178.874 176.117 -0.178 0.000 1.115 126 I CA 1.513 62.627 61.300 -0.310 0.000 1.392 126 I CB -0.171 37.743 38.000 -0.143 0.000 1.065 126 I HN 0.529 nan 8.210 nan 0.000 0.418 127 S N 0.182 115.842 115.700 -0.067 0.000 2.402 127 S HA -0.103 4.379 4.470 0.019 0.000 0.229 127 S C 1.943 176.520 174.600 -0.038 0.000 1.021 127 S CA 1.023 59.213 58.200 -0.017 0.000 0.974 127 S CB -0.720 62.508 63.200 0.048 0.000 0.800 127 S HN 0.240 nan 8.310 nan 0.000 0.484 128 V N 3.037 122.915 119.914 -0.059 0.000 2.379 128 V HA -0.115 4.016 4.120 0.019 0.000 0.245 128 V C 2.660 178.701 176.094 -0.088 0.000 1.044 128 V CA 1.737 64.004 62.300 -0.054 0.000 1.036 128 V CB -0.944 30.856 31.823 -0.038 0.000 0.664 128 V HN 0.560 nan 8.190 nan 0.000 0.453 129 N N 0.313 118.905 118.700 -0.181 0.000 2.120 129 N HA -0.122 4.629 4.740 0.019 0.000 0.188 129 N C 1.865 177.267 175.510 -0.180 0.000 1.024 129 N CA 1.416 54.344 53.050 -0.204 0.000 0.852 129 N CB -0.206 38.034 38.487 -0.412 0.000 1.003 129 N HN 0.387 nan 8.380 nan 0.000 0.424 130 L N 0.858 121.984 121.223 -0.162 0.000 2.083 130 L HA -0.109 4.242 4.340 0.019 0.000 0.209 130 L C 2.437 179.258 176.870 -0.082 0.000 1.083 130 L CA 0.935 55.703 54.840 -0.120 0.000 0.752 130 L CB -0.368 41.660 42.059 -0.051 0.000 0.899 130 L HN 0.122 nan 8.230 nan 0.000 0.433 131 A N -0.530 122.260 122.820 -0.049 0.000 2.066 131 A HA -0.117 4.215 4.320 0.019 0.000 0.218 131 A C 2.214 179.786 177.584 -0.021 0.000 1.157 131 A CA 1.100 53.121 52.037 -0.026 0.000 0.670 131 A CB -0.145 18.850 19.000 -0.008 0.000 0.804 131 A HN 0.308 nan 8.150 nan 0.000 0.453 132 K N -0.744 119.653 120.400 -0.005 0.000 2.356 132 K HA 0.272 4.603 4.320 0.019 0.000 0.195 132 K C -0.046 176.601 176.600 0.078 0.000 1.037 132 K CA -0.232 56.114 56.287 0.097 0.000 1.014 132 K CB 0.008 32.624 32.500 0.192 0.000 0.815 132 K HN 0.383 nan 8.250 nan 0.000 0.507 133 L N 2.758 123.846 121.223 -0.226 0.000 2.483 133 L HA 0.047 4.399 4.340 0.019 0.000 0.275 133 L C -2.077 174.601 176.870 -0.320 0.000 1.220 133 L CA -1.778 52.694 54.840 -0.614 0.000 0.833 133 L CB -0.153 41.484 42.059 -0.704 0.000 1.102 133 L HN -0.124 nan 8.230 nan 0.000 0.490 134 P HA 0.020 nan 4.420 nan 0.000 0.268 134 P C -0.086 177.158 177.300 -0.094 0.000 1.208 134 P CA -0.118 62.910 63.100 -0.119 0.000 0.777 134 P CB 0.414 32.074 31.700 -0.068 0.000 0.875 135 N N 1.851 120.524 118.700 -0.044 0.000 2.272 135 N HA -0.140 4.612 4.740 0.019 0.000 0.185 135 N C 0.878 176.380 175.510 -0.013 0.000 1.014 135 N CA 1.140 54.166 53.050 -0.040 0.000 0.870 135 N CB -0.595 37.875 38.487 -0.028 0.000 0.975 135 N HN 0.529 nan 8.380 nan 0.000 0.433 136 N N -0.097 118.618 118.700 0.024 0.000 2.251 136 N HA 0.149 4.900 4.740 0.019 0.000 0.217 136 N C -0.219 175.361 175.510 0.116 0.000 1.124 136 N CA -0.280 52.822 53.050 0.087 0.000 0.843 136 N CB -0.213 38.324 38.487 0.083 0.000 1.024 136 N HN -0.025 nan 8.380 nan 0.000 0.501 137 A N 0.214 123.079 122.820 0.075 0.000 2.445 137 A HA 0.472 4.803 4.320 0.019 0.000 0.242 137 A C -0.116 177.588 177.584 0.201 0.000 1.075 137 A CA -0.242 51.885 52.037 0.149 0.000 0.777 137 A CB 0.443 19.386 19.000 -0.095 0.000 1.013 137 A HN 0.104 nan 8.150 nan 0.000 0.493 138 V N 1.595 121.676 119.914 0.279 0.000 2.680 138 V HA 0.844 4.975 4.120 0.019 0.000 0.309 138 V C 0.767 176.974 176.094 0.188 0.000 1.052 138 V CA 0.628 63.026 62.300 0.162 0.000 0.908 138 V CB 1.206 33.056 31.823 0.045 0.000 1.001 138 V HN 1.893 nan 8.190 nan 0.000 0.431 139 G N 3.074 111.863 108.800 -0.019 0.000 2.366 139 G HA2 0.168 4.139 3.960 0.019 0.000 0.190 139 G HA3 0.168 4.139 3.960 0.019 0.000 0.190 139 G C -2.065 172.643 174.900 -0.320 0.000 1.299 139 G CA -0.509 44.488 45.100 -0.171 0.000 1.056 139 G HN 0.537 nan 8.290 nan 0.000 0.468 140 Y N 0.060 120.510 120.300 0.250 0.000 2.492 140 Y HA 0.766 5.326 4.550 0.015 0.000 0.346 140 Y C 0.299 176.275 175.900 0.126 0.000 0.997 140 Y CA -0.356 57.861 58.100 0.194 0.000 1.025 140 Y CB 2.454 41.024 38.460 0.184 0.000 1.263 140 Y HN 1.111 nan 8.280 nan 0.000 0.454 141 A N 2.124 125.067 122.820 0.205 0.000 2.319 141 A HA 0.826 5.157 4.320 0.019 0.000 0.310 141 A C -1.631 175.936 177.584 -0.028 0.000 1.152 141 A CA -0.732 51.328 52.037 0.038 0.000 0.783 141 A CB 0.776 19.712 19.000 -0.107 0.000 1.184 141 A HN 0.511 nan 8.150 nan 0.000 0.474 142 V N 3.992 123.899 119.914 -0.013 0.000 2.407 142 V HA 0.508 4.639 4.120 0.019 0.000 0.291 142 V C -0.578 175.476 176.094 -0.068 0.000 1.018 142 V CA -0.122 62.157 62.300 -0.036 0.000 0.842 142 V CB 1.003 32.837 31.823 0.019 0.000 0.996 142 V HN 0.746 nan 8.190 nan 0.000 0.426 143 I N 3.424 123.906 120.570 -0.147 0.000 2.499 143 I HA 0.436 4.617 4.170 0.019 0.000 0.288 143 I C -0.142 176.055 176.117 0.133 0.000 1.048 143 I CA -0.422 60.846 61.300 -0.053 0.000 1.062 143 I CB 2.328 40.194 38.000 -0.223 0.000 1.238 143 I HN 0.591 nan 8.210 nan 0.000 0.426 144 E N 6.277 126.575 120.200 0.164 0.000 2.167 144 E HA 0.515 4.876 4.350 0.019 0.000 0.284 144 E C -0.994 175.746 176.600 0.234 0.000 1.016 144 E CA -0.551 55.965 56.400 0.193 0.000 0.817 144 E CB 1.267 31.058 29.700 0.150 0.000 1.080 144 E HN 0.494 nan 8.360 nan 0.000 0.397 145 V N 1.666 121.727 119.914 0.245 0.000 3.113 145 V HA 0.380 4.512 4.120 0.019 0.000 0.316 145 V C 0.736 176.904 176.094 0.123 0.000 1.125 145 V CA -0.797 61.627 62.300 0.206 0.000 1.026 145 V CB 1.475 33.438 31.823 0.234 0.000 1.080 145 V HN 0.763 nan 8.190 nan 0.000 0.444 146 L N 1.129 122.390 121.223 0.064 0.000 2.307 146 L HA 0.265 4.617 4.340 0.019 0.000 0.211 146 L C 1.086 177.955 176.870 -0.001 0.000 1.099 146 L CA 1.274 56.100 54.840 -0.024 0.000 0.816 146 L CB 0.186 42.104 42.059 -0.235 0.000 0.952 146 L HN 1.028 nan 8.230 nan 0.000 0.455 147 S N -2.840 112.889 115.700 0.048 0.000 2.656 147 S HA 0.263 4.745 4.470 0.019 0.000 0.273 147 S C 0.298 174.911 174.600 0.022 0.000 1.168 147 S CA -0.866 57.365 58.200 0.052 0.000 0.817 147 S CB 1.403 64.660 63.200 0.097 0.000 1.146 147 S HN 0.053 nan 8.310 nan 0.000 0.475 148 E N 0.587 120.786 120.200 -0.001 0.000 2.110 148 E HA -0.066 4.295 4.350 0.019 0.000 0.193 148 E C 2.134 178.680 176.600 -0.089 0.000 0.988 148 E CA 1.191 57.557 56.400 -0.056 0.000 0.804 148 E CB -0.385 29.291 29.700 -0.041 0.000 0.745 148 E HN 0.723 nan 8.360 nan 0.000 0.458 149 A N 1.511 124.309 122.820 -0.037 0.000 2.070 149 A HA -0.179 4.152 4.320 0.019 0.000 0.220 149 A C 1.463 179.022 177.584 -0.042 0.000 1.159 149 A CA 1.300 53.312 52.037 -0.041 0.000 0.656 149 A CB -0.080 18.911 19.000 -0.014 0.000 0.800 149 A HN 0.079 nan 8.150 nan 0.000 0.453 150 D N -0.482 119.911 120.400 -0.012 0.000 2.340 150 D HA 0.159 4.811 4.640 0.019 0.000 0.220 150 D C 0.310 176.530 176.300 -0.133 0.000 1.039 150 D CA 0.055 54.061 54.000 0.011 0.000 0.866 150 D CB 0.059 40.934 40.800 0.126 0.000 0.913 150 D HN 0.432 nan 8.370 nan 0.000 0.523 151 I N 1.516 121.878 120.570 -0.347 0.000 2.648 151 I HA -0.040 4.141 4.170 0.019 0.000 0.284 151 I C 0.670 176.451 176.117 -0.560 0.000 1.153 151 I CA 0.412 61.185 61.300 -0.877 0.000 1.426 151 I CB 0.555 37.916 38.000 -1.064 0.000 1.381 151 I HN -0.291 nan 8.210 nan 0.000 0.571 152 Q N 7.257 126.742 119.800 -0.525 0.000 2.345 152 Q HA 0.417 4.768 4.340 0.019 0.000 0.268 152 Q C -2.337 173.696 176.000 0.056 0.000 1.054 152 Q CA -1.815 53.935 55.803 -0.089 0.000 0.835 152 Q CB 2.088 30.885 28.738 0.099 0.000 1.339 152 Q HN 0.367 nan 8.270 nan 0.000 0.447 153 P HA 0.186 nan 4.420 nan 0.000 0.262 153 P C -0.922 176.485 177.300 0.179 0.000 1.620 153 P CA -0.010 63.171 63.100 0.136 0.000 1.089 153 P CB 0.086 31.831 31.700 0.075 0.000 1.601 154 L N 2.804 124.185 121.223 0.263 0.000 2.395 154 L HA 0.301 4.652 4.340 0.019 0.000 0.269 154 L C 0.855 177.874 176.870 0.248 0.000 1.133 154 L CA -1.200 53.777 54.840 0.228 0.000 0.812 154 L CB 0.924 43.114 42.059 0.219 0.000 1.125 154 L HN 0.052 nan 8.230 nan 0.000 0.452 155 V N 1.831 121.833 119.914 0.146 0.000 2.655 155 V HA 0.113 4.245 4.120 0.019 0.000 0.300 155 V C -0.256 175.922 176.094 0.140 0.000 1.044 155 V CA 0.183 62.532 62.300 0.081 0.000 1.095 155 V CB 0.091 31.930 31.823 0.027 0.000 0.952 155 V HN 0.966 nan 8.190 nan 0.000 0.485 156 H N 3.199 122.253 119.070 -0.027 0.000 3.068 156 H HA 0.583 5.145 4.556 0.010 0.000 0.342 156 H C -3.159 172.130 175.328 -0.065 0.000 1.284 156 H CA -2.090 53.926 56.048 -0.053 0.000 1.181 156 H CB 0.838 30.575 29.762 -0.043 0.000 1.898 156 H HN 0.381 nan 8.280 nan 0.000 0.540 157 P HA -0.021 nan 4.420 nan 0.000 0.264 157 P C 0.750 177.998 177.300 -0.087 0.000 1.183 157 P CA 0.244 63.292 63.100 -0.086 0.000 0.763 157 P CB 0.806 32.484 31.700 -0.036 0.000 0.807 158 E N 2.325 122.396 120.200 -0.216 0.000 2.204 158 E HA -0.248 4.113 4.350 0.019 0.000 0.195 158 E C 0.457 176.929 176.600 -0.214 0.000 0.990 158 E CA 1.187 57.420 56.400 -0.278 0.000 0.821 158 E CB -0.320 29.147 29.700 -0.389 0.000 0.750 158 E HN 0.498 nan 8.360 nan 0.000 0.477 159 H N 0.200 119.293 119.070 0.038 0.000 2.517 159 H HA 0.259 4.828 4.556 0.021 0.000 0.282 159 H C -0.358 174.988 175.328 0.029 0.000 1.023 159 H CA -0.090 55.975 56.048 0.028 0.000 1.169 159 H CB 0.629 30.392 29.762 0.003 0.000 1.454 159 H HN -0.003 nan 8.280 nan 0.000 0.556 160 V N 2.587 122.599 119.914 0.163 0.000 2.364 160 V HA 0.065 4.196 4.120 0.019 0.000 0.272 160 V C 0.466 176.612 176.094 0.087 0.000 1.036 160 V CA -0.568 61.801 62.300 0.116 0.000 0.880 160 V CB 1.441 33.326 31.823 0.103 0.000 0.991 160 V HN 0.241 nan 8.190 nan 0.000 0.460 161 E N 5.350 125.586 120.200 0.060 0.000 2.259 161 E HA 0.388 4.749 4.350 0.019 0.000 0.281 161 E C -0.895 175.641 176.600 -0.106 0.000 1.027 161 E CA -0.449 55.953 56.400 0.003 0.000 0.838 161 E CB 1.462 31.266 29.700 0.173 0.000 1.066 161 E HN 0.524 nan 8.360 nan 0.000 0.401 162 L N 4.707 125.728 121.223 -0.337 0.000 2.261 162 L HA 0.254 4.605 4.340 0.019 0.000 0.289 162 L C 0.125 176.688 176.870 -0.511 0.000 1.059 162 L CA -0.393 54.182 54.840 -0.441 0.000 0.816 162 L CB 0.069 41.840 42.059 -0.479 0.000 1.191 162 L HN 0.403 nan 8.230 nan 0.000 0.431 163 H N 2.662 121.554 119.070 -0.297 0.000 2.504 163 H HA 0.205 4.778 4.556 0.029 0.000 0.322 163 H C -1.138 174.020 175.328 -0.284 0.000 1.055 163 H CA -0.465 55.486 56.048 -0.162 0.000 1.231 163 H CB 1.128 30.856 29.762 -0.057 0.000 1.417 163 H HN 0.496 nan 8.280 nan 0.000 0.472 164 W N 2.724 124.087 121.300 0.105 0.000 2.433 164 W HA 0.388 5.053 4.660 0.009 0.000 0.315 164 W C -0.333 176.237 176.519 0.086 0.000 1.087 164 W CA -0.674 56.721 57.345 0.083 0.000 1.205 164 W CB 1.190 30.682 29.460 0.053 0.000 1.288 164 W HN 0.200 nan 8.180 nan 0.000 0.504 165 V N 5.583 125.666 119.914 0.282 0.000 2.370 165 V HA 0.349 4.481 4.120 0.019 0.000 0.283 165 V C -0.131 176.080 176.094 0.195 0.000 1.023 165 V CA -0.913 61.502 62.300 0.191 0.000 0.857 165 V CB 0.817 32.717 31.823 0.128 0.000 0.985 165 V HN 0.357 nan 8.190 nan 0.000 0.443 166 I N 5.027 125.690 120.570 0.154 0.000 2.307 166 I HA 0.412 4.593 4.170 0.019 0.000 0.289 166 I C -0.075 176.096 176.117 0.091 0.000 1.021 166 I CA 0.092 61.465 61.300 0.122 0.000 1.224 166 I CB 1.052 39.109 38.000 0.095 0.000 1.376 166 I HN 0.590 nan 8.210 nan 0.000 0.470 167 N N 8.019 126.771 118.700 0.087 0.000 2.558 167 N HA 0.390 5.141 4.740 0.019 0.000 0.285 167 N C -2.271 173.274 175.510 0.058 0.000 1.112 167 N CA -1.710 51.383 53.050 0.072 0.000 0.857 167 N CB 2.142 40.678 38.487 0.082 0.000 1.376 167 N HN 0.064 nan 8.380 nan 0.000 0.526 168 P HA -0.027 nan 4.420 nan 0.000 0.220 168 P C -0.834 176.482 177.300 0.027 0.000 1.148 168 P CA 1.186 64.294 63.100 0.012 0.000 0.803 168 P CB 0.320 32.029 31.700 0.015 0.000 0.782 169 E N -0.564 119.668 120.200 0.054 0.000 2.218 169 E HA 0.533 4.895 4.350 0.019 0.000 0.263 169 E C -0.719 175.941 176.600 0.100 0.000 0.879 169 E CA -0.972 55.472 56.400 0.074 0.000 0.762 169 E CB 1.866 31.602 29.700 0.060 0.000 1.166 169 E HN -0.080 nan 8.360 nan 0.000 0.415 170 A N 2.887 125.800 122.820 0.154 0.000 2.511 170 A HA 0.054 4.386 4.320 0.019 0.000 0.242 170 A C -0.128 177.512 177.584 0.093 0.000 1.069 170 A CA 0.005 52.147 52.037 0.176 0.000 0.763 170 A CB 0.221 19.430 19.000 0.348 0.000 1.001 170 A HN 0.587 nan 8.150 nan 0.000 0.498 171 D N 2.824 123.254 120.400 0.050 0.000 2.359 171 D HA 0.362 5.013 4.640 0.019 0.000 0.230 171 D C -1.427 174.867 176.300 -0.010 0.000 1.118 171 D CA -2.001 52.012 54.000 0.021 0.000 0.844 171 D CB 1.130 41.940 40.800 0.016 0.000 1.059 171 D HN 0.186 nan 8.370 nan 0.000 0.493 172 P HA -0.117 nan 4.420 nan 0.000 0.225 172 P C 0.564 177.853 177.300 -0.018 0.000 1.148 172 P CA 0.794 63.883 63.100 -0.017 0.000 0.779 172 P CB 0.450 32.152 31.700 0.003 0.000 0.780 173 E N -0.711 119.480 120.200 -0.014 0.000 2.371 173 E HA 0.052 4.413 4.350 0.019 0.000 0.194 173 E C 1.452 178.033 176.600 -0.033 0.000 1.012 173 E CA 0.813 57.202 56.400 -0.018 0.000 0.860 173 E CB -0.534 29.160 29.700 -0.010 0.000 0.811 173 E HN 0.281 nan 8.360 nan 0.000 0.502 174 G N 2.173 110.949 108.800 -0.040 0.000 2.176 174 G HA2 -0.364 3.608 3.960 0.019 0.000 0.252 174 G HA3 -0.364 3.608 3.960 0.019 0.000 0.252 174 G C 0.916 175.794 174.900 -0.037 0.000 1.024 174 G CA 0.771 45.839 45.100 -0.054 0.000 0.755 174 G HN 0.275 nan 8.290 nan 0.000 0.507 175 R N -0.028 120.458 120.500 -0.023 0.000 2.080 175 R HA 0.023 4.374 4.340 0.019 0.000 0.222 175 R C -0.018 176.271 176.300 -0.019 0.000 1.107 175 R CA 1.314 57.401 56.100 -0.023 0.000 0.980 175 R CB -0.605 29.685 30.300 -0.016 0.000 0.879 175 R HN 0.413 nan 8.270 nan 0.000 0.439 176 P HA -0.192 nan 4.420 nan 0.000 0.214 176 P C 1.132 178.435 177.300 0.005 0.000 1.163 176 P CA 1.052 64.158 63.100 0.010 0.000 0.889 176 P CB 0.071 31.792 31.700 0.035 0.000 0.790 177 L N -0.673 120.555 121.223 0.009 0.000 2.027 177 L HA -0.095 4.257 4.340 0.019 0.000 0.206 177 L C 2.456 179.315 176.870 -0.017 0.000 1.074 177 L CA 1.608 56.454 54.840 0.011 0.000 0.745 177 L CB -1.505 40.568 42.059 0.023 0.000 0.898 177 L HN -0.162 nan 8.230 nan 0.000 0.433 178 V N -0.748 119.144 119.914 -0.036 0.000 2.515 178 V HA -0.266 3.866 4.120 0.019 0.000 0.250 178 V C 2.358 178.351 176.094 -0.168 0.000 1.058 178 V CA 1.775 64.017 62.300 -0.096 0.000 1.064 178 V CB -0.193 31.573 31.823 -0.096 0.000 0.675 178 V HN 0.569 nan 8.190 nan 0.000 0.461 179 E N -0.417 119.717 120.200 -0.110 0.000 2.150 179 E HA -0.250 4.111 4.350 0.019 0.000 0.193 179 E C 2.314 178.851 176.600 -0.105 0.000 0.985 179 E CA 1.262 57.596 56.400 -0.109 0.000 0.814 179 E CB -0.095 29.567 29.700 -0.063 0.000 0.752 179 E HN 0.449 nan 8.360 nan 0.000 0.466 180 R N 1.106 121.557 120.500 -0.081 0.000 2.075 180 R HA -0.020 4.331 4.340 0.019 0.000 0.226 180 R C 1.995 178.208 176.300 -0.145 0.000 1.114 180 R CA 0.964 57.011 56.100 -0.088 0.000 0.972 180 R CB -0.331 29.941 30.300 -0.046 0.000 0.869 180 R HN 0.107 nan 8.270 nan 0.000 0.437 181 I N 0.531 121.023 120.570 -0.130 0.000 2.286 181 I HA -0.199 3.982 4.170 0.019 0.000 0.248 181 I C 1.940 177.959 176.117 -0.163 0.000 1.115 181 I CA 1.354 62.577 61.300 -0.129 0.000 1.392 181 I CB -0.288 37.714 38.000 0.004 0.000 1.065 181 I HN 0.292 nan 8.210 nan 0.000 0.418 182 A N -0.381 122.299 122.820 -0.232 0.000 2.209 182 A HA -0.136 4.195 4.320 0.019 0.000 0.212 182 A C 2.014 179.530 177.584 -0.113 0.000 1.158 182 A CA 0.917 52.824 52.037 -0.217 0.000 0.742 182 A CB -0.373 18.409 19.000 -0.363 0.000 0.790 182 A HN 0.505 nan 8.150 nan 0.000 0.472 183 Q N -0.780 118.940 119.800 -0.133 0.000 2.319 183 Q HA 0.294 4.645 4.340 0.019 0.000 0.202 183 Q C -0.488 175.423 176.000 -0.147 0.000 0.896 183 Q CA -0.092 55.645 55.803 -0.110 0.000 0.942 183 Q CB 0.278 28.957 28.738 -0.099 0.000 1.083 183 Q HN 0.559 nan 8.270 nan 0.000 0.510 184 L N 2.492 123.578 121.223 -0.227 0.000 2.276 184 L HA 0.346 4.697 4.340 0.019 0.000 0.286 184 L C -2.137 174.633 176.870 -0.168 0.000 1.061 184 L CA -2.151 52.458 54.840 -0.385 0.000 0.807 184 L CB 0.563 42.103 42.059 -0.864 0.000 1.177 184 L HN -0.149 nan 8.230 nan 0.000 0.429 185 P HA -0.131 nan 4.420 nan 0.000 0.264 185 P C -0.787 176.586 177.300 0.122 0.000 1.183 185 P CA -0.069 63.072 63.100 0.069 0.000 0.763 185 P CB 0.361 32.102 31.700 0.068 0.000 0.807 186 W N 5.578 126.857 121.300 -0.036 0.000 2.304 186 W HA 0.202 4.874 4.660 0.020 0.000 0.313 186 W C -1.006 175.345 176.519 -0.280 0.000 1.323 186 W CA -0.252 57.062 57.345 -0.051 0.000 1.223 186 W CB 0.328 29.835 29.460 0.079 0.000 1.237 186 W HN 0.299 nan 8.180 nan 0.000 0.535 187 L N 4.809 125.338 121.223 -1.157 0.000 2.448 187 L HA 0.578 4.930 4.340 0.019 0.000 0.258 187 L C 0.752 177.272 176.870 -0.583 0.000 1.104 187 L CA -1.103 53.128 54.840 -1.014 0.000 0.800 187 L CB 0.093 41.190 42.059 -1.604 0.000 1.241 187 L HN 0.423 nan 8.230 nan 0.000 0.472 188 A N 0.018 122.645 122.820 -0.321 0.000 2.388 188 A HA 0.624 4.955 4.320 0.019 0.000 0.257 188 A C 0.471 178.112 177.584 0.096 0.000 1.095 188 A CA 0.466 52.486 52.037 -0.030 0.000 0.791 188 A CB -0.026 18.958 19.000 -0.027 0.000 1.029 188 A HN 1.001 nan 8.150 nan 0.000 0.489 189 G N -0.437 108.493 108.800 0.218 0.000 2.685 189 G HA2 0.473 4.445 3.960 0.019 0.000 0.387 189 G HA3 0.473 4.445 3.960 0.019 0.000 0.387 189 G C -0.303 174.788 174.900 0.318 0.000 1.324 189 G CA 0.222 45.465 45.100 0.238 0.000 0.878 189 G HN 1.895 nan 8.290 nan 0.000 0.527 190 E N 1.581 121.838 120.200 0.095 0.000 2.227 190 E HA 0.757 5.119 4.350 0.019 0.000 0.282 190 E C -1.839 174.493 176.600 -0.446 0.000 1.015 190 E CA -1.082 55.275 56.400 -0.072 0.000 0.823 190 E CB 1.355 30.977 29.700 -0.128 0.000 1.081 190 E HN 0.718 nan 8.360 nan 0.000 0.396 191 P HA 0.593 nan 4.420 nan 0.000 0.281 191 P C -0.856 176.142 177.300 -0.503 0.000 1.264 191 P CA -0.331 61.976 63.100 -1.322 0.000 0.824 191 P CB 1.583 32.092 31.700 -1.986 0.000 1.092 192 A N 1.183 123.748 122.820 -0.425 0.000 2.330 192 A HA 0.606 4.937 4.320 0.019 0.000 0.327 192 A C -0.673 176.894 177.584 -0.028 0.000 1.155 192 A CA -0.664 51.335 52.037 -0.063 0.000 0.803 192 A CB 0.772 19.805 19.000 0.054 0.000 1.208 192 A HN 0.302 nan 8.150 nan 0.000 0.477 193 V N 1.463 121.396 119.914 0.032 0.000 2.555 193 V HA 0.536 4.668 4.120 0.019 0.000 0.302 193 V C -0.939 175.161 176.094 0.011 0.000 1.038 193 V CA -0.362 61.925 62.300 -0.023 0.000 0.887 193 V CB 1.489 33.210 31.823 -0.169 0.000 0.991 193 V HN 0.944 nan 8.190 nan 0.000 0.434 194 W N 6.159 127.390 121.300 -0.115 0.000 2.715 194 W HA 0.810 5.482 4.660 0.020 0.000 0.331 194 W C -1.384 175.080 176.519 -0.092 0.000 1.031 194 W CA -0.380 56.945 57.345 -0.033 0.000 1.237 194 W CB 1.385 30.864 29.460 0.032 0.000 1.378 194 W HN 0.428 nan 8.180 nan 0.000 0.454 195 I N 5.625 125.969 120.570 -0.377 0.000 2.534 195 I HA 0.718 4.899 4.170 0.019 0.000 0.288 195 I C -0.487 175.184 176.117 -0.742 0.000 1.077 195 I CA -0.808 60.260 61.300 -0.386 0.000 1.051 195 I CB 1.976 39.723 38.000 -0.422 0.000 1.234 195 I HN 0.509 nan 8.210 nan 0.000 0.425 196 A N 5.607 128.088 122.820 -0.566 0.000 2.437 196 A HA 0.888 5.219 4.320 0.019 0.000 0.293 196 A C -0.655 176.662 177.584 -0.444 0.000 1.038 196 A CA -0.490 51.077 52.037 -0.783 0.000 0.708 196 A CB 1.153 19.306 19.000 -1.411 0.000 1.251 196 A HN 1.057 nan 8.150 nan 0.000 0.409 197 C N -0.314 118.796 119.300 -0.316 0.000 3.271 197 C HA 0.699 5.171 4.460 0.019 0.000 0.362 197 C C -0.416 174.511 174.990 -0.105 0.000 1.567 197 C CA -0.618 58.359 59.018 -0.069 0.000 1.144 197 C CB 0.656 28.369 27.740 -0.045 0.000 1.807 197 C HN 0.957 nan 8.230 nan 0.000 0.423 198 E N 0.370 120.421 120.200 -0.249 0.000 2.384 198 E HA 0.116 4.478 4.350 0.019 0.000 0.266 198 E C 0.546 176.941 176.600 -0.342 0.000 1.012 198 E CA -0.039 55.918 56.400 -0.738 0.000 0.901 198 E CB 0.468 29.579 29.700 -0.981 0.000 0.967 198 E HN 0.653 nan 8.360 nan 0.000 0.435 199 F N 5.978 125.679 119.950 -0.415 0.000 2.063 199 F HA -0.355 4.184 4.527 0.019 0.000 0.298 199 F C 1.664 177.364 175.800 -0.168 0.000 1.105 199 F CA 2.244 60.128 58.000 -0.193 0.000 1.215 199 F CB -0.051 38.881 39.000 -0.114 0.000 0.972 199 F HN 0.547 nan 8.300 nan 0.000 0.483 200 N N -0.051 118.553 118.700 -0.161 0.000 2.188 200 N HA -0.090 4.662 4.740 0.019 0.000 0.184 200 N C 1.139 176.524 175.510 -0.208 0.000 1.018 200 N CA 0.974 53.900 53.050 -0.207 0.000 0.858 200 N CB -0.472 37.968 38.487 -0.077 0.000 0.989 200 N HN 0.209 nan 8.380 nan 0.000 0.426 204 A N 1.687 124.445 122.820 -0.103 0.000 1.877 204 A HA -0.041 4.290 4.320 0.019 0.000 0.216 204 A C 2.025 179.647 177.584 0.063 0.000 1.186 204 A CA 1.206 53.227 52.037 -0.026 0.000 0.620 204 A CB -0.476 18.500 19.000 -0.040 0.000 0.822 204 A HN 0.138 nan 8.150 nan 0.000 0.443 205 L N -1.139 120.134 121.223 0.083 0.000 2.017 205 L HA -0.179 4.172 4.340 0.019 0.000 0.208 205 L C 2.834 179.962 176.870 0.430 0.000 1.073 205 L CA 1.781 56.776 54.840 0.258 0.000 0.745 205 L CB -0.392 41.782 42.059 0.192 0.000 0.894 205 L HN 0.480 nan 8.230 nan 0.000 0.432 206 R N 0.252 120.904 120.500 0.253 0.000 2.073 206 R HA -0.228 4.124 4.340 0.019 0.000 0.234 206 R C 2.469 178.893 176.300 0.207 0.000 1.134 206 R CA 1.777 58.056 56.100 0.299 0.000 0.952 206 R CB -0.175 30.201 30.300 0.127 0.000 0.850 206 R HN 0.199 nan 8.270 nan 0.000 0.433 207 R N -0.711 119.858 120.500 0.116 0.000 2.081 207 R HA -0.219 4.133 4.340 0.019 0.000 0.235 207 R C 2.334 178.682 176.300 0.079 0.000 1.131 207 R CA 2.099 58.236 56.100 0.061 0.000 0.960 207 R CB -0.497 29.817 30.300 0.023 0.000 0.856 207 R HN 0.401 nan 8.270 nan 0.000 0.436 208 H N -0.429 118.666 119.070 0.043 0.000 2.289 208 H HA -0.181 4.387 4.556 0.020 0.000 0.296 208 H C 1.560 176.839 175.328 -0.083 0.000 1.091 208 H CA 2.613 58.638 56.048 -0.038 0.000 1.274 208 H CB -0.434 29.288 29.762 -0.068 0.000 1.364 208 H HN 0.238 nan 8.280 nan 0.000 0.490 209 F N 0.696 120.609 119.950 -0.062 0.000 2.234 209 F HA -0.057 4.480 4.527 0.018 0.000 0.299 209 F C 2.506 178.127 175.800 -0.298 0.000 1.087 209 F CA 1.263 59.142 58.000 -0.202 0.000 1.340 209 F CB -0.121 38.785 39.000 -0.157 0.000 1.031 209 F HN 0.139 nan 8.300 nan 0.000 0.500 210 K N -0.192 120.164 120.400 -0.073 0.000 2.057 210 K HA -0.174 4.157 4.320 0.019 0.000 0.206 210 K C 2.010 178.523 176.600 -0.145 0.000 1.050 210 K CA 1.404 57.617 56.287 -0.122 0.000 0.935 210 K CB -0.223 32.228 32.500 -0.081 0.000 0.715 210 K HN 0.354 nan 8.250 nan 0.000 0.439 211 Q N -0.471 119.231 119.800 -0.163 0.000 2.137 211 Q HA -0.020 4.331 4.340 0.019 0.000 0.198 211 Q C 1.934 177.790 176.000 -0.241 0.000 0.960 211 Q CA 1.243 56.944 55.803 -0.171 0.000 0.847 211 Q CB 0.165 28.820 28.738 -0.139 0.000 0.915 211 Q HN 0.287 nan 8.270 nan 0.000 0.448 212 A N 0.144 122.736 122.820 -0.380 0.000 1.920 212 A HA 0.001 4.332 4.320 0.019 0.000 0.209 212 A C 0.440 177.767 177.584 -0.428 0.000 1.229 212 A CA 0.463 52.229 52.037 -0.452 0.000 0.671 212 A CB 0.101 18.666 19.000 -0.725 0.000 0.886 212 A HN 0.371 nan 8.150 nan 0.000 0.461 213 H N -1.760 117.061 119.070 -0.415 0.000 2.538 213 H HA 0.696 5.264 4.556 0.019 0.000 0.239 213 H C -0.169 175.074 175.328 -0.142 0.000 1.401 213 H CA -1.332 54.491 56.048 -0.375 0.000 1.499 213 H CB -0.552 28.819 29.762 -0.651 0.000 1.624 213 H HN 0.757 nan 8.280 nan 0.000 0.524 214 A N 2.442 125.174 122.820 -0.146 0.000 2.492 214 A HA 0.547 4.879 4.320 0.019 0.000 0.254 214 A C 0.028 177.564 177.584 -0.079 0.000 1.091 214 A CA -0.026 51.935 52.037 -0.127 0.000 0.768 214 A CB -0.011 18.919 19.000 -0.116 0.000 1.028 214 A HN 0.735 nan 8.150 nan 0.000 0.498 215 L N 3.934 125.078 121.223 -0.132 0.000 2.370 215 L HA 0.508 4.860 4.340 0.019 0.000 0.266 215 L C -1.981 174.859 176.870 -0.051 0.000 1.002 215 L CA -2.042 52.764 54.840 -0.058 0.000 0.818 215 L CB 2.282 44.336 42.059 -0.009 0.000 1.325 215 L HN 0.576 nan 8.230 nan 0.000 0.418 216 P HA 0.153 nan 4.420 nan 0.000 0.271 216 P C -0.275 177.121 177.300 0.160 0.000 1.218 216 P CA -0.415 62.727 63.100 0.069 0.000 0.780 216 P CB 1.078 32.822 31.700 0.074 0.000 0.901 217 K N 0.736 121.225 120.400 0.147 0.000 2.209 217 K HA -0.102 4.229 4.320 0.019 0.000 0.204 217 K C 2.049 178.765 176.600 0.193 0.000 1.048 217 K CA 1.723 58.125 56.287 0.193 0.000 0.940 217 K CB -0.326 32.254 32.500 0.133 0.000 0.729 217 K HN 0.591 nan 8.250 nan 0.000 0.451 218 S N 0.434 116.244 115.700 0.184 0.000 2.419 218 S HA -0.178 4.304 4.470 0.019 0.000 0.235 218 S C 1.186 175.842 174.600 0.093 0.000 1.019 218 S CA 1.196 59.487 58.200 0.152 0.000 0.982 218 S CB -0.293 63.021 63.200 0.190 0.000 0.789 218 S HN 0.395 nan 8.310 nan 0.000 0.490 219 H N -0.830 118.310 119.070 0.117 0.000 2.581 219 H HA 0.496 5.064 4.556 0.019 0.000 0.275 219 H C -1.126 174.307 175.328 0.174 0.000 1.126 219 H CA -0.523 55.590 56.048 0.108 0.000 1.097 219 H CB 0.320 30.113 29.762 0.052 0.000 1.626 219 H HN 0.448 nan 8.280 nan 0.000 0.565 220 F N 1.518 121.513 119.950 0.075 0.000 3.228 220 F HA 0.186 4.725 4.527 0.019 0.000 0.390 220 F C -1.773 174.018 175.800 -0.015 0.000 1.235 220 F CA -1.146 56.844 58.000 -0.016 0.000 1.236 220 F CB 0.286 39.250 39.000 -0.060 0.000 1.855 220 F HN -0.019 nan 8.300 nan 0.000 0.647 221 Y N 4.585 124.612 120.300 -0.454 0.000 2.327 221 Y HA 0.572 5.133 4.550 0.018 0.000 0.336 221 Y C -0.136 175.310 175.900 -0.756 0.000 1.035 221 Y CA -0.273 57.538 58.100 -0.482 0.000 1.165 221 Y CB 0.964 39.180 38.460 -0.406 0.000 1.181 221 Y HN 0.529 nan 8.280 nan 0.000 0.494 222 T N 2.158 116.037 114.554 -1.126 0.000 2.876 222 T HA 0.677 5.039 4.350 0.019 0.000 0.289 222 T C -0.798 173.265 174.700 -1.063 0.000 1.014 222 T CA -0.914 60.571 62.100 -1.024 0.000 0.986 222 T CB 1.581 70.079 68.868 -0.617 0.000 1.021 222 T HN 0.564 nan 8.240 nan 0.000 0.458 223 S N 1.052 116.237 115.700 -0.858 0.000 2.546 223 S HA 0.594 5.076 4.470 0.019 0.000 0.272 223 S C -0.807 173.659 174.600 -0.223 0.000 1.140 223 S CA -0.647 57.259 58.200 -0.491 0.000 0.920 223 S CB 1.819 64.784 63.200 -0.392 0.000 1.083 223 S HN 0.926 nan 8.310 nan 0.000 0.476 224 S N 3.429 119.151 115.700 0.036 0.000 2.474 224 S HA 0.429 4.911 4.470 0.019 0.000 0.276 224 S C -0.127 174.769 174.600 0.494 0.000 1.227 224 S CA -0.246 58.101 58.200 0.246 0.000 1.050 224 S CB 0.130 63.640 63.200 0.517 0.000 0.939 224 S HN 0.716 nan 8.310 nan 0.000 0.490 225 Y N 4.245 124.607 120.300 0.104 0.000 2.503 225 Y HA 0.333 4.895 4.550 0.019 0.000 0.277 225 Y C 0.584 176.487 175.900 0.005 0.000 1.102 225 Y CA -0.476 57.702 58.100 0.131 0.000 1.261 225 Y CB 0.362 38.927 38.460 0.175 0.000 1.096 225 Y HN 0.800 nan 8.280 nan 0.000 0.546 226 W N -0.602 120.463 121.300 -0.392 0.000 2.937 226 W HA 0.536 5.206 4.660 0.018 0.000 0.360 226 W C -1.737 174.423 176.519 -0.598 0.000 1.215 226 W CA -1.330 55.536 57.345 -0.798 0.000 1.183 226 W CB 1.146 30.394 29.460 -0.354 0.000 1.458 226 W HN -0.293 nan 8.180 nan 0.000 0.574 227 K N 1.496 121.653 120.400 -0.404 0.000 2.468 227 K HA 0.512 4.843 4.320 0.019 0.000 0.252 227 K C -0.828 175.688 176.600 -0.140 0.000 0.932 227 K CA -0.824 55.257 56.287 -0.343 0.000 0.794 227 K CB 2.459 34.899 32.500 -0.100 0.000 1.241 227 K HN 0.535 nan 8.250 nan 0.000 0.428 228 I N 3.358 123.765 120.570 -0.273 0.000 2.741 228 I HA -0.036 4.145 4.170 0.019 0.000 0.288 228 I C 1.319 177.461 176.117 0.041 0.000 1.192 228 I CA 1.866 63.163 61.300 -0.005 0.000 1.426 228 I CB 0.493 38.465 38.000 -0.046 0.000 1.367 228 I HN 1.102 nan 8.210 nan 0.000 0.563 229 G N 4.024 112.883 108.800 0.098 0.000 2.199 229 G HA2 -0.236 3.736 3.960 0.019 0.000 0.254 229 G HA3 -0.236 3.736 3.960 0.019 0.000 0.254 229 G C 0.067 174.999 174.900 0.053 0.000 0.982 229 G CA -0.138 45.001 45.100 0.064 0.000 0.632 229 G HN 0.619 nan 8.290 nan 0.000 0.529 230 C N 1.562 120.900 119.300 0.064 0.000 2.417 230 C HA 0.720 5.192 4.460 0.019 0.000 0.324 230 C C 0.603 175.639 174.990 0.077 0.000 1.240 230 C CA -0.593 58.459 59.018 0.057 0.000 1.632 230 C CB 0.907 28.677 27.740 0.050 0.000 2.241 230 C HN 0.782 nan 8.230 nan 0.000 0.499 231 N N 0.810 119.549 118.700 0.064 0.000 2.379 231 N HA 0.155 4.906 4.740 0.019 0.000 0.260 231 N C 0.748 176.308 175.510 0.084 0.000 1.254 231 N CA -0.476 52.613 53.050 0.064 0.000 0.958 231 N CB 0.378 38.897 38.487 0.053 0.000 1.208 231 N HN 0.760 nan 8.380 nan 0.000 0.532 232 E N -0.542 119.708 120.200 0.083 0.000 2.130 232 E HA -0.186 4.175 4.350 0.019 0.000 0.196 232 E C 1.725 178.384 176.600 0.098 0.000 0.998 232 E CA 1.725 58.191 56.400 0.110 0.000 0.806 232 E CB -0.751 29.002 29.700 0.088 0.000 0.738 232 E HN 0.789 nan 8.360 nan 0.000 0.459 233 G N 0.281 109.120 108.800 0.064 0.000 2.418 233 G HA2 -0.281 3.690 3.960 0.019 0.000 0.217 233 G HA3 -0.281 3.690 3.960 0.019 0.000 0.217 233 G C 1.280 176.190 174.900 0.017 0.000 1.158 233 G CA 0.928 46.050 45.100 0.036 0.000 0.771 233 G HN 0.334 nan 8.290 nan 0.000 0.545 234 E N -0.668 119.550 120.200 0.029 0.000 2.072 234 E HA -0.094 4.268 4.350 0.019 0.000 0.190 234 E C 2.131 178.728 176.600 -0.006 0.000 0.982 234 E CA 0.586 56.989 56.400 0.006 0.000 0.803 234 E CB -0.361 29.347 29.700 0.014 0.000 0.755 234 E HN 0.596 nan 8.360 nan 0.000 0.453 235 H N 1.645 120.674 119.070 -0.067 0.000 2.319 235 H HA -0.133 4.435 4.556 0.019 0.000 0.297 235 H C 1.966 177.226 175.328 -0.114 0.000 1.097 235 H CA 1.558 57.542 56.048 -0.106 0.000 1.285 235 H CB 0.231 29.968 29.762 -0.041 0.000 1.368 235 H HN -0.014 nan 8.280 nan 0.000 0.495 236 K N 0.312 120.602 120.400 -0.184 0.000 2.074 236 K HA -0.153 4.179 4.320 0.019 0.000 0.209 236 K C 2.557 179.028 176.600 -0.215 0.000 1.048 236 K CA 1.384 57.532 56.287 -0.231 0.000 0.926 236 K CB -0.060 32.382 32.500 -0.097 0.000 0.713 236 K HN 0.323 nan 8.250 nan 0.000 0.444 237 L N 0.387 121.518 121.223 -0.154 0.000 2.017 237 L HA -0.211 4.141 4.340 0.019 0.000 0.208 237 L C 2.376 179.139 176.870 -0.177 0.000 1.073 237 L CA 1.075 55.836 54.840 -0.131 0.000 0.745 237 L CB -0.493 41.510 42.059 -0.094 0.000 0.894 237 L HN 0.021 nan 8.230 nan 0.000 0.432 238 V N -0.118 119.642 119.914 -0.256 0.000 2.358 238 V HA -0.295 3.836 4.120 0.019 0.000 0.246 238 V C 2.535 178.417 176.094 -0.353 0.000 1.047 238 V CA 1.785 63.876 62.300 -0.349 0.000 1.035 238 V CB -0.554 30.943 31.823 -0.543 0.000 0.658 238 V HN 0.429 nan 8.190 nan 0.000 0.452 239 K N -0.114 120.030 120.400 -0.427 0.000 2.020 239 K HA -0.280 4.051 4.320 0.019 0.000 0.212 239 K C 2.301 178.822 176.600 -0.132 0.000 1.050 239 K CA 2.071 58.188 56.287 -0.284 0.000 0.929 239 K CB -0.180 32.038 32.500 -0.470 0.000 0.714 239 K HN 0.533 nan 8.250 nan 0.000 0.443 240 Q N 0.138 119.853 119.800 -0.143 0.000 2.096 240 Q HA -0.199 4.152 4.340 0.019 0.000 0.204 240 Q C 2.028 177.997 176.000 -0.052 0.000 0.982 240 Q CA 1.874 57.628 55.803 -0.082 0.000 0.850 240 Q CB -0.031 28.660 28.738 -0.078 0.000 0.901 240 Q HN 0.445 nan 8.270 nan 0.000 0.422 241 E N 0.620 120.783 120.200 -0.062 0.000 2.072 241 E HA -0.210 4.151 4.350 0.019 0.000 0.191 241 E C 1.625 178.228 176.600 0.005 0.000 0.985 241 E CA 1.290 57.670 56.400 -0.032 0.000 0.801 241 E CB -0.034 29.639 29.700 -0.045 0.000 0.750 241 E HN 0.317 nan 8.360 nan 0.000 0.452 242 D N 0.769 121.191 120.400 0.037 0.000 2.097 242 D HA -0.185 4.466 4.640 0.019 0.000 0.195 242 D C 1.696 178.027 176.300 0.051 0.000 0.989 242 D CA 1.307 55.371 54.000 0.107 0.000 0.827 242 D CB 0.112 41.087 40.800 0.292 0.000 0.966 242 D HN 0.118 nan 8.370 nan 0.000 0.456 243 E N -0.365 119.851 120.200 0.026 0.000 2.097 243 E HA -0.257 4.104 4.350 0.019 0.000 0.196 243 E C 2.347 178.950 176.600 0.004 0.000 1.000 243 E CA 1.157 57.560 56.400 0.005 0.000 0.804 243 E CB -0.082 29.612 29.700 -0.010 0.000 0.740 243 E HN 0.489 nan 8.360 nan 0.000 0.454 244 Q N 0.194 119.995 119.800 0.001 0.000 2.119 244 Q HA -0.112 4.239 4.340 0.019 0.000 0.201 244 Q C 2.343 178.346 176.000 0.005 0.000 0.972 244 Q CA 0.881 56.685 55.803 0.001 0.000 0.847 244 Q CB -0.011 28.724 28.738 -0.004 0.000 0.903 244 Q HN 0.300 nan 8.270 nan 0.000 0.433 245 L N 0.266 121.495 121.223 0.010 0.000 2.017 245 L HA -0.206 4.146 4.340 0.019 0.000 0.208 245 L C 2.445 179.320 176.870 0.008 0.000 1.073 245 L CA 1.164 56.011 54.840 0.011 0.000 0.745 245 L CB -0.261 41.810 42.059 0.019 0.000 0.894 245 L HN 0.215 nan 8.230 nan 0.000 0.432 246 E N 0.671 120.877 120.200 0.010 0.000 2.072 246 E HA -0.142 4.219 4.350 0.019 0.000 0.191 246 E C 0.739 177.342 176.600 0.006 0.000 0.985 246 E CA 0.993 57.397 56.400 0.006 0.000 0.801 246 E CB 0.076 29.779 29.700 0.004 0.000 0.750 246 E HN 0.316 nan 8.360 nan 0.000 0.452 247 N N 0.584 119.288 118.700 0.007 0.000 2.920 247 N HA 0.366 5.117 4.740 0.019 0.000 0.310 247 N C -0.514 175.000 175.510 0.007 0.000 1.384 247 N CA 0.675 53.730 53.050 0.009 0.000 1.083 247 N CB 0.785 39.279 38.487 0.011 0.000 1.389 247 N HN 0.251 nan 8.380 nan 0.000 0.521 248 G N 0.000 108.803 108.800 0.005 0.000 5.446 248 G HA2 0.000 3.971 3.960 0.019 0.000 0.244 248 G HA3 0.000 3.971 3.960 0.019 0.000 0.244 248 G CA 0.000 45.102 45.100 0.003 0.000 0.502 248 G HN 0.000 nan 8.290 nan 0.000 0.925