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 1o9o_1_B DATA FIRST_RESID 1 DATA SEQUENCE MISLADLQRR IETGELSPNA AIAQSHAAIE AREKEVHAFV RHDKSARAQA DATA SEQUENCE SGPLRGIAVG IKDIIDTANM PTEMGSEIYR GWQPRSDAPV VMMLKRAGAT DATA SEQUENCE IIGKTTTTAF ASRDPTATLN PHNTGHSPGG ASSGSAAAVG AGMIPLALGT DATA SEQUENCE QTGGSVIRPA AYCGTAAIKP SFRMLPTVGV KCYSWALDTV GLFGARAEDL DATA SEQUENCE ARGLLAMTGR SEFSGIVPAK APRIGVVRQE FAGAVEPAAE QGLQAAIKAA DATA SEQUENCE ERAGASVQAI DLPEAVHEAW RIHPIIQDFE AHRALAWEFS EHHDEIAPML DATA SEQUENCE RASLDATVGL TPKEYDEARR IGRRGRRELG EVFEGVDVLL TYSAPGTAPA DATA SEQUENCE KALASTGDPR YNRLWTLMGN PCVNVPVLKV GGLPIGVQVI ARFGNDAHAL DATA SEQUENCE ATAWFLEDAL AK 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 0.000 176.294 176.300 -0.010 0.000 1.140 1 M CA 0.000 55.299 55.300 -0.002 0.000 0.988 1 M CB 0.000 32.605 32.600 0.009 0.000 1.302 2 I N 1.081 121.644 120.570 -0.012 0.000 2.395 2 I HA 0.284 4.454 4.170 -0.001 0.000 0.289 2 I C 0.330 176.434 176.117 -0.023 0.000 1.023 2 I CA -0.263 61.027 61.300 -0.017 0.000 1.350 2 I CB 1.538 39.528 38.000 -0.017 0.000 1.409 2 I HN 0.546 nan 8.210 nan 0.000 0.507 3 S N 5.434 121.116 115.700 -0.029 0.000 2.438 3 S HA 0.191 4.661 4.470 -0.001 0.000 0.293 3 S C 0.660 175.235 174.600 -0.041 0.000 1.141 3 S CA -0.767 57.407 58.200 -0.044 0.000 1.080 3 S CB 0.853 64.022 63.200 -0.051 0.000 0.978 3 S HN 0.565 nan 8.310 nan 0.000 0.479 4 L N 6.915 128.109 121.223 -0.048 0.000 2.056 4 L HA 0.158 4.498 4.340 -0.001 0.000 0.207 4 L C 2.315 179.161 176.870 -0.041 0.000 1.078 4 L CA 2.534 57.350 54.840 -0.041 0.000 0.749 4 L CB -1.225 40.807 42.059 -0.045 0.000 0.901 4 L HN 0.786 nan 8.230 nan 0.000 0.433 5 A N -0.516 122.268 122.820 -0.060 0.000 1.902 5 A HA -0.272 4.047 4.320 -0.001 0.000 0.217 5 A C 2.070 179.638 177.584 -0.027 0.000 1.181 5 A CA 1.831 53.838 52.037 -0.050 0.000 0.623 5 A CB -1.099 17.848 19.000 -0.089 0.000 0.818 5 A HN 0.619 nan 8.150 nan 0.000 0.443 6 D N -0.071 120.311 120.400 -0.031 0.000 2.092 6 D HA -0.149 4.490 4.640 -0.001 0.000 0.193 6 D C 1.837 178.132 176.300 -0.008 0.000 0.994 6 D CA 1.565 55.557 54.000 -0.015 0.000 0.828 6 D CB -0.266 40.523 40.800 -0.017 0.000 0.963 6 D HN 0.405 nan 8.370 nan 0.000 0.450 7 L N -0.097 121.118 121.223 -0.013 0.000 2.042 7 L HA -0.196 4.143 4.340 -0.001 0.000 0.210 7 L C 2.815 179.683 176.870 -0.004 0.000 1.076 7 L CA 1.249 56.084 54.840 -0.008 0.000 0.749 7 L CB -0.618 41.434 42.059 -0.012 0.000 0.893 7 L HN 0.217 nan 8.230 nan 0.000 0.432 8 Q N -0.164 119.633 119.800 -0.005 0.000 2.061 8 Q HA -0.240 4.100 4.340 -0.001 0.000 0.204 8 Q C 2.462 178.466 176.000 0.007 0.000 0.984 8 Q CA 1.758 57.561 55.803 0.001 0.000 0.846 8 Q CB -0.037 28.701 28.738 -0.000 0.000 0.902 8 Q HN 0.444 nan 8.270 nan 0.000 0.421 9 R N -0.180 120.325 120.500 0.009 0.000 2.075 9 R HA -0.060 4.280 4.340 -0.001 0.000 0.232 9 R C 2.283 178.591 176.300 0.013 0.000 1.126 9 R CA 1.024 57.133 56.100 0.016 0.000 0.963 9 R CB -0.079 30.234 30.300 0.021 0.000 0.858 9 R HN 0.173 nan 8.270 nan 0.000 0.435 10 R N 0.231 120.737 120.500 0.009 0.000 2.115 10 R HA -0.001 4.338 4.340 -0.001 0.000 0.226 10 R C 2.191 178.496 176.300 0.007 0.000 1.100 10 R CA 0.978 57.083 56.100 0.008 0.000 0.980 10 R CB -0.116 30.187 30.300 0.006 0.000 0.875 10 R HN 0.257 nan 8.270 nan 0.000 0.445 11 I N 0.320 120.894 120.570 0.006 0.000 2.406 11 I HA -0.175 3.994 4.170 -0.001 0.000 0.249 11 I C 2.363 178.485 176.117 0.008 0.000 1.122 11 I CA 0.907 62.211 61.300 0.006 0.000 1.431 11 I CB -0.130 37.873 38.000 0.005 0.000 1.087 11 I HN 0.087 nan 8.210 nan 0.000 0.424 12 E N 1.349 121.555 120.200 0.010 0.000 2.051 12 E HA -0.223 4.127 4.350 -0.001 0.000 0.192 12 E C 2.143 178.750 176.600 0.012 0.000 0.991 12 E CA 2.369 58.776 56.400 0.012 0.000 0.799 12 E CB -0.278 29.431 29.700 0.015 0.000 0.748 12 E HN 0.488 nan 8.360 nan 0.000 0.449 13 T N -3.574 110.987 114.554 0.012 0.000 3.007 13 T HA 0.097 4.447 4.350 -0.001 0.000 0.270 13 T C 1.618 176.324 174.700 0.010 0.000 1.107 13 T CA 1.157 63.263 62.100 0.011 0.000 1.118 13 T CB -0.110 68.765 68.868 0.012 0.000 0.889 13 T HN 0.405 nan 8.240 nan 0.000 0.506 14 G N 1.005 109.810 108.800 0.009 0.000 2.195 14 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.224 14 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.224 14 G C 0.618 175.522 174.900 0.007 0.000 0.990 14 G CA 0.635 45.740 45.100 0.008 0.000 0.639 14 G HN 0.610 nan 8.290 nan 0.000 0.514 15 E N -0.665 119.540 120.200 0.008 0.000 2.160 15 E HA 0.049 4.399 4.350 -0.001 0.000 0.195 15 E C 0.847 177.451 176.600 0.006 0.000 0.991 15 E CA 1.137 57.541 56.400 0.007 0.000 0.810 15 E CB -0.023 29.681 29.700 0.008 0.000 0.742 15 E HN 0.603 nan 8.360 nan 0.000 0.466 16 L N 0.561 121.787 121.223 0.006 0.000 2.408 16 L HA 0.302 4.642 4.340 -0.001 0.000 0.268 16 L C -0.787 176.087 176.870 0.006 0.000 0.986 16 L CA -0.666 54.178 54.840 0.006 0.000 0.820 16 L CB 2.028 44.089 42.059 0.005 0.000 1.303 16 L HN 0.060 nan 8.230 nan 0.000 0.411 17 S N 3.468 119.172 115.700 0.007 0.000 2.610 17 S HA 0.583 5.053 4.470 -0.001 0.000 0.273 17 S C -2.158 172.447 174.600 0.009 0.000 1.274 17 S CA -1.004 57.201 58.200 0.008 0.000 1.023 17 S CB 1.169 64.374 63.200 0.009 0.000 0.962 17 S HN 0.607 nan 8.310 nan 0.000 0.523 18 P HA -0.044 nan 4.420 nan 0.000 0.217 18 P C 1.151 178.460 177.300 0.016 0.000 1.150 18 P CA 0.922 64.028 63.100 0.010 0.000 0.832 18 P CB -0.008 31.698 31.700 0.010 0.000 0.787 19 N N -0.358 118.354 118.700 0.019 0.000 2.104 19 N HA -0.144 4.596 4.740 -0.001 0.000 0.190 19 N C 1.703 177.233 175.510 0.032 0.000 1.024 19 N CA 1.654 54.721 53.050 0.028 0.000 0.853 19 N CB -0.787 37.713 38.487 0.022 0.000 1.008 19 N HN 0.067 nan 8.380 nan 0.000 0.424 20 A N 1.265 124.099 122.820 0.022 0.000 1.877 20 A HA 0.028 4.348 4.320 -0.001 0.000 0.216 20 A C 2.441 180.037 177.584 0.020 0.000 1.186 20 A CA 1.911 53.960 52.037 0.021 0.000 0.620 20 A CB -0.871 18.137 19.000 0.014 0.000 0.822 20 A HN 0.316 nan 8.150 nan 0.000 0.443 21 A N 0.052 122.879 122.820 0.012 0.000 1.883 21 A HA -0.131 4.189 4.320 -0.001 0.000 0.217 21 A C 2.001 179.581 177.584 -0.007 0.000 1.186 21 A CA 1.845 53.882 52.037 0.001 0.000 0.624 21 A CB -0.544 18.454 19.000 -0.003 0.000 0.822 21 A HN 0.415 nan 8.150 nan 0.000 0.444 22 I N -0.111 120.462 120.570 0.004 0.000 2.252 22 I HA -0.190 3.980 4.170 -0.001 0.000 0.245 22 I C 2.876 179.023 176.117 0.050 0.000 1.102 22 I CA 1.307 62.597 61.300 -0.017 0.000 1.385 22 I CB -1.653 36.364 38.000 0.029 0.000 1.064 22 I HN 0.359 nan 8.210 nan 0.000 0.414 23 A N -0.166 122.723 122.820 0.116 0.000 2.070 23 A HA -0.239 4.080 4.320 -0.001 0.000 0.220 23 A C 2.250 179.892 177.584 0.096 0.000 1.159 23 A CA 1.418 53.549 52.037 0.156 0.000 0.656 23 A CB -0.486 18.565 19.000 0.085 0.000 0.800 23 A HN 0.396 nan 8.150 nan 0.000 0.453 24 Q N -0.221 119.601 119.800 0.037 0.000 2.049 24 Q HA -0.066 4.274 4.340 -0.001 0.000 0.198 24 Q C 2.399 178.392 176.000 -0.012 0.000 0.971 24 Q CA 1.991 57.800 55.803 0.010 0.000 0.833 24 Q CB -0.189 28.547 28.738 -0.004 0.000 0.896 24 Q HN 0.608 nan 8.270 nan 0.000 0.434 25 S N -0.384 115.280 115.700 -0.060 0.000 2.368 25 S HA -0.141 4.329 4.470 -0.001 0.000 0.224 25 S C 1.635 176.155 174.600 -0.134 0.000 1.029 25 S CA 0.942 59.071 58.200 -0.118 0.000 0.988 25 S CB -0.406 62.685 63.200 -0.183 0.000 0.838 25 S HN 0.459 nan 8.310 nan 0.000 0.462 26 H N 1.586 120.642 119.070 -0.023 0.000 2.319 26 H HA -0.026 4.530 4.556 -0.000 0.000 0.299 26 H C 2.522 177.835 175.328 -0.025 0.000 1.092 26 H CA 1.517 57.571 56.048 0.009 0.000 1.302 26 H CB -0.728 29.076 29.762 0.071 0.000 1.373 26 H HN 0.442 nan 8.280 nan 0.000 0.497 27 A N 1.046 123.932 122.820 0.110 0.000 1.902 27 A HA -0.062 4.258 4.320 -0.001 0.000 0.217 27 A C 2.689 180.272 177.584 -0.001 0.000 1.181 27 A CA 1.712 53.777 52.037 0.046 0.000 0.623 27 A CB -0.769 18.252 19.000 0.035 0.000 0.818 27 A HN 0.439 nan 8.150 nan 0.000 0.443 28 A N -0.380 122.426 122.820 -0.023 0.000 2.015 28 A HA 0.002 4.322 4.320 -0.001 0.000 0.219 28 A C 2.059 179.602 177.584 -0.068 0.000 1.163 28 A CA 1.387 53.399 52.037 -0.041 0.000 0.646 28 A CB -0.510 18.466 19.000 -0.040 0.000 0.806 28 A HN 0.511 nan 8.150 nan 0.000 0.448 29 I N -1.245 119.247 120.570 -0.130 0.000 2.333 29 I HA -0.139 4.031 4.170 -0.001 0.000 0.246 29 I C 2.485 178.505 176.117 -0.162 0.000 1.106 29 I CA 1.223 62.383 61.300 -0.233 0.000 1.411 29 I CB -0.198 37.416 38.000 -0.644 0.000 1.082 29 I HN 0.253 nan 8.210 nan 0.000 0.420 30 E N 1.417 121.564 120.200 -0.088 0.000 2.031 30 E HA -0.199 4.151 4.350 -0.001 0.000 0.193 30 E C 2.207 178.792 176.600 -0.024 0.000 0.994 30 E CA 1.728 58.117 56.400 -0.019 0.000 0.800 30 E CB -0.260 29.455 29.700 0.025 0.000 0.752 30 E HN 0.409 nan 8.360 nan 0.000 0.447 31 A N 0.168 122.972 122.820 -0.027 0.000 2.024 31 A HA -0.164 4.155 4.320 -0.001 0.000 0.220 31 A C 1.868 179.429 177.584 -0.038 0.000 1.164 31 A CA 1.581 53.602 52.037 -0.026 0.000 0.643 31 A CB -0.169 18.817 19.000 -0.024 0.000 0.806 31 A HN 0.064 nan 8.150 nan 0.000 0.451 32 R N -1.907 118.564 120.500 -0.048 0.000 2.435 32 R HA 0.102 4.442 4.340 -0.001 0.000 0.221 32 R C 1.678 177.931 176.300 -0.079 0.000 0.885 32 R CA 0.744 56.807 56.100 -0.062 0.000 1.018 32 R CB -0.364 29.900 30.300 -0.060 0.000 1.259 32 R HN 0.557 nan 8.270 nan 0.000 0.597 33 E N 2.404 122.572 120.200 -0.054 0.000 2.097 33 E HA -0.169 4.181 4.350 -0.001 0.000 0.196 33 E C 1.378 177.914 176.600 -0.107 0.000 1.000 33 E CA 1.673 58.053 56.400 -0.033 0.000 0.804 33 E CB 0.029 29.734 29.700 0.009 0.000 0.740 33 E HN 0.138 nan 8.360 nan 0.000 0.454 34 K N -0.345 120.011 120.400 -0.074 0.000 2.281 34 K HA -0.195 4.124 4.320 -0.001 0.000 0.203 34 K C 1.840 178.287 176.600 -0.255 0.000 1.046 34 K CA 1.599 57.850 56.287 -0.060 0.000 0.938 34 K CB -0.097 32.403 32.500 0.001 0.000 0.737 34 K HN 0.469 nan 8.250 nan 0.000 0.458 35 E N -0.920 119.089 120.200 -0.317 0.000 2.447 35 E HA 0.005 4.355 4.350 -0.001 0.000 0.204 35 E C 1.411 177.710 176.600 -0.502 0.000 0.977 35 E CA 0.121 56.310 56.400 -0.352 0.000 0.950 35 E CB 0.379 29.992 29.700 -0.145 0.000 0.975 35 E HN -0.077 nan 8.360 nan 0.000 0.496 36 V N 0.436 120.068 119.914 -0.471 0.000 3.085 36 V HA 0.011 4.131 4.120 -0.001 0.000 0.245 36 V C -0.123 175.849 176.094 -0.202 0.000 1.114 36 V CA 0.784 62.921 62.300 -0.271 0.000 1.108 36 V CB -0.902 30.843 31.823 -0.131 0.000 0.798 36 V HN 0.417 nan 8.190 nan 0.000 0.471 37 H N -0.470 118.621 119.070 0.035 0.000 2.750 37 H HA -0.172 4.383 4.556 -0.001 0.000 0.327 37 H C 1.193 176.535 175.328 0.024 0.000 1.199 37 H CA 0.340 56.415 56.048 0.046 0.000 1.149 37 H CB -1.451 28.328 29.762 0.027 0.000 1.543 37 H HN 0.465 nan 8.280 nan 0.000 0.427 38 A N -0.240 122.634 122.820 0.091 0.000 2.081 38 A HA 0.256 4.576 4.320 -0.001 0.000 0.214 38 A C 0.395 177.845 177.584 -0.225 0.000 1.158 38 A CA 0.393 52.373 52.037 -0.096 0.000 0.724 38 A CB 0.399 19.271 19.000 -0.213 0.000 0.826 38 A HN 0.251 nan 8.150 nan 0.000 0.463 39 F N -1.651 118.301 119.950 0.003 0.000 2.443 39 F HA 0.420 4.947 4.527 -0.000 0.000 0.335 39 F C 1.171 176.993 175.800 0.037 0.000 1.104 39 F CA -0.468 57.541 58.000 0.014 0.000 1.013 39 F CB 1.889 40.900 39.000 0.020 0.000 1.136 39 F HN -0.172 nan 8.300 nan 0.000 0.470 40 V N 2.157 122.184 119.914 0.188 0.000 2.649 40 V HA 0.094 4.214 4.120 -0.001 0.000 0.248 40 V C 0.497 176.686 176.094 0.158 0.000 1.054 40 V CA 1.048 63.423 62.300 0.126 0.000 1.073 40 V CB -0.342 31.523 31.823 0.070 0.000 0.699 40 V HN 0.613 nan 8.190 nan 0.000 0.463 41 R N -0.740 119.895 120.500 0.225 0.000 2.515 41 R HA 0.373 4.712 4.340 -0.001 0.000 0.278 41 R C -0.987 175.463 176.300 0.250 0.000 1.107 41 R CA -0.451 55.762 56.100 0.188 0.000 0.945 41 R CB 1.632 32.004 30.300 0.119 0.000 1.219 41 R HN 0.427 nan 8.270 nan 0.000 0.434 42 H N 2.338 121.413 119.070 0.009 0.000 2.551 42 H HA 0.158 4.713 4.556 -0.001 0.000 0.321 42 H C -1.061 174.231 175.328 -0.061 0.000 1.028 42 H CA -0.677 55.281 56.048 -0.150 0.000 1.215 42 H CB 1.430 31.006 29.762 -0.311 0.000 1.414 42 H HN 0.465 nan 8.280 nan 0.000 0.480 43 D N 5.123 125.525 120.400 0.003 0.000 2.422 43 D HA 0.031 4.670 4.640 -0.001 0.000 0.227 43 D C 0.580 176.746 176.300 -0.223 0.000 1.190 43 D CA -0.157 53.787 54.000 -0.094 0.000 0.905 43 D CB 0.772 41.589 40.800 0.030 0.000 1.034 43 D HN 0.645 nan 8.370 nan 0.000 0.507 44 K N 0.988 121.082 120.400 -0.510 0.000 2.442 44 K HA -0.076 4.244 4.320 -0.001 0.000 0.198 44 K C 1.631 177.972 176.600 -0.431 0.000 1.042 44 K CA 0.649 56.582 56.287 -0.591 0.000 0.958 44 K CB 0.220 32.414 32.500 -0.510 0.000 0.766 44 K HN 0.314 nan 8.250 nan 0.000 0.474 45 S N 0.190 115.760 115.700 -0.217 0.000 2.517 45 S HA 0.167 4.637 4.470 -0.001 0.000 0.214 45 S C 0.884 175.461 174.600 -0.039 0.000 0.991 45 S CA -0.297 57.821 58.200 -0.138 0.000 0.906 45 S CB 0.180 63.324 63.200 -0.093 0.000 0.789 45 S HN 0.167 nan 8.310 nan 0.000 0.513 46 A N 2.660 125.511 122.820 0.051 0.000 2.573 46 A HA 0.300 4.619 4.320 -0.001 0.000 0.250 46 A C 0.544 178.234 177.584 0.177 0.000 1.049 46 A CA 0.042 52.153 52.037 0.124 0.000 0.767 46 A CB -0.113 18.988 19.000 0.168 0.000 0.965 46 A HN 0.660 nan 8.150 nan 0.000 0.514 47 R N 1.593 122.148 120.500 0.092 0.000 2.797 47 R HA 0.698 5.038 4.340 -0.001 0.000 0.251 47 R C 0.211 176.547 176.300 0.060 0.000 1.107 47 R CA -0.354 55.795 56.100 0.081 0.000 1.084 47 R CB 1.477 31.800 30.300 0.038 0.000 1.205 47 R HN 0.781 nan 8.270 nan 0.000 0.515 48 A N 0.891 123.740 122.820 0.047 0.000 2.271 48 A HA 0.258 4.578 4.320 -0.001 0.000 0.288 48 A C -0.424 177.172 177.584 0.021 0.000 1.094 48 A CA -0.433 51.621 52.037 0.029 0.000 0.828 48 A CB 0.608 19.624 19.000 0.026 0.000 1.091 48 A HN 0.588 nan 8.150 nan 0.000 0.493 49 Q N -0.266 119.543 119.800 0.015 0.000 2.226 49 Q HA 0.505 4.844 4.340 -0.001 0.000 0.256 49 Q C 0.800 176.807 176.000 0.010 0.000 0.962 49 Q CA -0.153 55.657 55.803 0.012 0.000 0.887 49 Q CB 1.817 30.562 28.738 0.010 0.000 1.282 49 Q HN 0.820 nan 8.270 nan 0.000 0.449 50 A N 1.306 124.132 122.820 0.009 0.000 2.067 50 A HA -0.010 4.309 4.320 -0.001 0.000 0.217 50 A C 0.726 178.315 177.584 0.008 0.000 1.156 50 A CA 1.127 53.169 52.037 0.008 0.000 0.683 50 A CB 0.121 19.125 19.000 0.007 0.000 0.808 50 A HN 0.655 nan 8.150 nan 0.000 0.455 51 S N -2.995 112.709 115.700 0.008 0.000 2.661 51 S HA 0.727 5.196 4.470 -0.001 0.000 0.285 51 S C -0.183 174.422 174.600 0.008 0.000 1.138 51 S CA -0.091 58.114 58.200 0.008 0.000 0.855 51 S CB 1.333 64.537 63.200 0.007 0.000 1.136 51 S HN 2.029 nan 8.310 nan 0.000 0.484 52 G N 1.181 109.986 108.800 0.008 0.000 2.576 52 G HA2 0.105 4.065 3.960 -0.001 0.000 0.686 52 G HA3 0.105 4.065 3.960 -0.001 0.000 0.686 52 G C -2.434 172.471 174.900 0.008 0.000 1.242 52 G CA -0.274 44.831 45.100 0.008 0.000 0.819 52 G HN 0.619 nan 8.290 nan 0.000 0.655 53 P HA 0.019 nan 4.420 nan 0.000 0.226 53 P C 1.358 178.660 177.300 0.004 0.000 1.153 53 P CA 0.891 63.996 63.100 0.008 0.000 0.777 53 P CB 0.209 31.916 31.700 0.011 0.000 0.794 54 L N -0.325 120.899 121.223 0.002 0.000 2.857 54 L HA 0.217 4.556 4.340 -0.001 0.000 0.249 54 L C 1.165 178.035 176.870 -0.000 0.000 1.172 54 L CA -0.611 54.228 54.840 -0.002 0.000 0.980 54 L CB -0.165 41.892 42.059 -0.004 0.000 1.299 54 L HN -0.054 nan 8.230 nan 0.000 0.535 55 R N 0.307 120.809 120.500 0.003 0.000 2.522 55 R HA 0.305 4.645 4.340 -0.001 0.000 0.284 55 R C 0.798 177.099 176.300 0.002 0.000 1.032 55 R CA 0.611 56.714 56.100 0.004 0.000 1.049 55 R CB 0.053 30.357 30.300 0.006 0.000 0.956 55 R HN 0.165 nan 8.270 nan 0.000 0.422 56 G N 2.680 111.482 108.800 0.002 0.000 2.143 56 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.248 56 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.248 56 G C -0.140 174.754 174.900 -0.010 0.000 0.991 56 G CA -0.004 45.096 45.100 -0.001 0.000 0.689 56 G HN 0.561 nan 8.290 nan 0.000 0.522 57 I N 1.161 121.725 120.570 -0.011 0.000 2.354 57 I HA 0.632 4.802 4.170 -0.001 0.000 0.286 57 I C 0.714 176.820 176.117 -0.018 0.000 1.007 57 I CA -1.087 60.204 61.300 -0.015 0.000 1.167 57 I CB 0.913 38.906 38.000 -0.011 0.000 1.320 57 I HN 0.320 nan 8.210 nan 0.000 0.458 58 A N 7.015 129.816 122.820 -0.032 0.000 2.331 58 A HA 0.696 5.016 4.320 -0.001 0.000 0.283 58 A C -0.285 177.299 177.584 -0.000 0.000 1.142 58 A CA -0.320 51.695 52.037 -0.038 0.000 0.812 58 A CB 0.772 19.714 19.000 -0.097 0.000 1.074 58 A HN 0.460 nan 8.150 nan 0.000 0.497 59 V N 1.826 121.755 119.914 0.025 0.000 2.656 59 V HA 0.659 4.779 4.120 -0.001 0.000 0.307 59 V C 0.733 176.879 176.094 0.085 0.000 1.051 59 V CA -0.270 62.058 62.300 0.046 0.000 0.893 59 V CB 1.959 33.803 31.823 0.034 0.000 0.999 59 V HN 1.175 nan 8.190 nan 0.000 0.426 60 G N 4.331 113.178 108.800 0.078 0.000 2.348 60 G HA2 0.656 4.616 3.960 -0.001 0.000 0.312 60 G HA3 0.656 4.616 3.960 -0.001 0.000 0.312 60 G C -0.817 174.094 174.900 0.018 0.000 1.126 60 G CA -0.391 44.748 45.100 0.067 0.000 0.865 60 G HN 0.428 nan 8.290 nan 0.000 0.474 61 I N 1.594 122.179 120.570 0.025 0.000 2.389 61 I HA 0.284 4.454 4.170 -0.001 0.000 0.288 61 I C 0.441 176.553 176.117 -0.008 0.000 0.999 61 I CA -1.239 60.074 61.300 0.023 0.000 1.129 61 I CB 1.508 39.536 38.000 0.047 0.000 1.288 61 I HN 0.512 nan 8.210 nan 0.000 0.444 62 K N 4.014 124.410 120.400 -0.006 0.000 2.484 62 K HA -0.091 4.229 4.320 -0.001 0.000 0.280 62 K C 0.286 176.883 176.600 -0.005 0.000 1.013 62 K CA 0.145 56.420 56.287 -0.020 0.000 1.029 62 K CB 0.511 33.025 32.500 0.023 0.000 0.902 62 K HN 0.423 nan 8.250 nan 0.000 0.481 63 D N 4.379 124.766 120.400 -0.022 0.000 2.644 63 D HA -0.007 4.633 4.640 -0.001 0.000 0.252 63 D C 0.663 176.946 176.300 -0.027 0.000 1.254 63 D CA 0.368 54.361 54.000 -0.013 0.000 0.884 63 D CB -0.298 40.492 40.800 -0.016 0.000 1.034 63 D HN 0.571 nan 8.370 nan 0.000 0.473 64 I N -3.605 116.958 120.570 -0.011 0.000 4.240 64 I HA 0.305 4.474 4.170 -0.001 0.000 0.331 64 I C -0.014 176.118 176.117 0.025 0.000 1.381 64 I CA -0.296 60.993 61.300 -0.018 0.000 1.136 64 I CB 0.382 38.377 38.000 -0.008 0.000 1.137 64 I HN -0.222 nan 8.210 nan 0.000 0.411 65 I N 3.026 123.618 120.570 0.036 0.000 2.321 65 I HA 0.290 4.460 4.170 -0.001 0.000 0.291 65 I C -0.509 175.638 176.117 0.050 0.000 0.998 65 I CA -0.521 60.808 61.300 0.049 0.000 1.227 65 I CB 0.932 38.961 38.000 0.049 0.000 1.368 65 I HN 0.007 nan 8.210 nan 0.000 0.466 66 D N 4.958 125.393 120.400 0.059 0.000 2.455 66 D HA 0.153 4.793 4.640 -0.001 0.000 0.241 66 D C 0.208 176.525 176.300 0.030 0.000 1.138 66 D CA 0.554 54.587 54.000 0.055 0.000 0.877 66 D CB 0.936 41.777 40.800 0.068 0.000 1.187 66 D HN 0.567 nan 8.370 nan 0.000 0.451 67 T N -2.042 112.518 114.554 0.010 0.000 2.893 67 T HA 0.634 4.984 4.350 -0.001 0.000 0.293 67 T C 0.685 175.366 174.700 -0.031 0.000 1.027 67 T CA -0.905 61.196 62.100 0.000 0.000 0.988 67 T CB 1.990 70.864 68.868 0.011 0.000 1.043 67 T HN 0.175 nan 8.240 nan 0.000 0.461 68 A N 2.252 125.055 122.820 -0.029 0.000 2.021 68 A HA 0.066 4.385 4.320 -0.001 0.000 0.216 68 A C 1.944 179.494 177.584 -0.056 0.000 1.163 68 A CA 0.803 52.810 52.037 -0.050 0.000 0.676 68 A CB -0.466 18.514 19.000 -0.034 0.000 0.818 68 A HN 0.890 nan 8.150 nan 0.000 0.453 69 N N -1.147 117.532 118.700 -0.036 0.000 2.236 69 N HA 0.187 4.927 4.740 -0.001 0.000 0.196 69 N C -0.004 175.488 175.510 -0.030 0.000 1.114 69 N CA 0.117 53.147 53.050 -0.033 0.000 0.859 69 N CB 0.134 38.611 38.487 -0.017 0.000 0.982 69 N HN 0.415 nan 8.380 nan 0.000 0.493 70 M N 0.067 119.650 119.600 -0.029 0.000 2.501 70 M HA 0.457 4.937 4.480 -0.001 0.000 0.293 70 M C -2.833 173.447 176.300 -0.034 0.000 1.192 70 M CA -1.961 53.330 55.300 -0.016 0.000 0.886 70 M CB 3.063 35.674 32.600 0.018 0.000 1.710 70 M HN -0.306 nan 8.290 nan 0.000 0.457 71 P HA 0.133 nan 4.420 nan 0.000 0.270 71 P C -0.953 176.355 177.300 0.014 0.000 1.223 71 P CA -0.095 62.986 63.100 -0.032 0.000 0.785 71 P CB 0.484 32.188 31.700 0.007 0.000 0.923 72 T N 1.197 115.782 114.554 0.052 0.000 3.009 72 T HA 0.192 4.542 4.350 -0.001 0.000 0.346 72 T C 0.292 175.114 174.700 0.204 0.000 1.092 72 T CA -0.341 61.824 62.100 0.107 0.000 1.080 72 T CB 0.293 69.237 68.868 0.126 0.000 1.037 72 T HN 0.339 nan 8.240 nan 0.000 0.487 73 E N 2.982 123.254 120.200 0.119 0.000 2.474 73 E HA 0.088 4.438 4.350 -0.001 0.000 0.195 73 E C 0.612 177.190 176.600 -0.038 0.000 1.039 73 E CA -0.212 56.268 56.400 0.133 0.000 0.881 73 E CB 0.045 29.807 29.700 0.103 0.000 0.970 73 E HN 0.479 nan 8.360 nan 0.000 0.486 74 M N -0.732 118.771 119.600 -0.161 0.000 2.703 74 M HA -0.237 4.243 4.480 -0.001 0.000 0.186 74 M C 1.072 177.117 176.300 -0.425 0.000 0.582 74 M CA 1.297 56.368 55.300 -0.383 0.000 0.578 74 M CB -2.920 29.223 32.600 -0.761 0.000 2.115 74 M HN 0.465 nan 8.290 nan 0.000 0.611 75 G N -0.034 108.631 108.800 -0.226 0.000 2.187 75 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.261 75 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.261 75 G C 0.148 174.916 174.900 -0.220 0.000 1.000 75 G CA 1.046 46.034 45.100 -0.186 0.000 0.718 75 G HN 1.020 nan 8.290 nan 0.000 0.519 76 S N -0.927 114.616 115.700 -0.261 0.000 2.542 76 S HA 0.569 5.039 4.470 -0.001 0.000 0.293 76 S C 1.277 175.879 174.600 0.003 0.000 1.089 76 S CA 0.396 58.495 58.200 -0.169 0.000 0.961 76 S CB 1.253 64.230 63.200 -0.372 0.000 1.062 76 S HN 0.488 nan 8.310 nan 0.000 0.483 77 E N 3.255 123.476 120.200 0.036 0.000 2.204 77 E HA -0.072 4.278 4.350 -0.001 0.000 0.194 77 E C 1.441 178.071 176.600 0.050 0.000 0.989 77 E CA 0.897 57.323 56.400 0.044 0.000 0.824 77 E CB -0.356 29.361 29.700 0.030 0.000 0.756 77 E HN 0.738 nan 8.360 nan 0.000 0.477 78 I N 0.157 120.778 120.570 0.084 0.000 2.335 78 I HA -0.251 3.919 4.170 -0.001 0.000 0.251 78 I C 1.056 177.100 176.117 -0.122 0.000 1.129 78 I CA 1.225 62.514 61.300 -0.018 0.000 1.402 78 I CB -0.143 37.941 38.000 0.140 0.000 1.069 78 I HN 0.122 nan 8.210 nan 0.000 0.424 79 Y N 0.125 120.447 120.300 0.036 0.000 2.658 79 Y HA 0.273 4.822 4.550 -0.001 0.000 0.276 79 Y C 0.833 176.810 175.900 0.130 0.000 1.167 79 Y CA -0.877 57.268 58.100 0.076 0.000 1.230 79 Y CB -0.133 38.353 38.460 0.044 0.000 1.144 79 Y HN -0.055 nan 8.280 nan 0.000 0.529 80 R N 0.929 121.528 120.500 0.164 0.000 2.502 80 R HA 0.241 4.581 4.340 -0.001 0.000 0.292 80 R C 1.314 177.708 176.300 0.157 0.000 0.998 80 R CA 1.169 57.347 56.100 0.130 0.000 1.056 80 R CB -0.330 30.014 30.300 0.073 0.000 0.939 80 R HN 0.580 nan 8.270 nan 0.000 0.411 81 G N 3.710 112.597 108.800 0.146 0.000 2.155 81 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.257 81 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.257 81 G C 0.004 175.009 174.900 0.176 0.000 0.983 81 G CA 0.244 45.418 45.100 0.123 0.000 0.676 81 G HN 0.719 nan 8.290 nan 0.000 0.528 82 W N 1.000 122.346 121.300 0.078 0.000 2.308 82 W HA 0.560 5.219 4.660 -0.000 0.000 0.324 82 W C 0.029 176.592 176.519 0.074 0.000 1.387 82 W CA -0.181 57.225 57.345 0.102 0.000 1.250 82 W CB 0.811 30.418 29.460 0.244 0.000 1.257 82 W HN 0.189 nan 8.180 nan 0.000 0.554 83 Q N 8.345 127.553 119.800 -0.985 0.000 2.401 83 Q HA 0.379 4.719 4.340 -0.001 0.000 0.260 83 Q C -2.450 172.910 176.000 -1.067 0.000 1.034 83 Q CA -2.155 53.173 55.803 -0.791 0.000 0.737 83 Q CB 1.350 29.834 28.738 -0.423 0.000 1.227 83 Q HN 0.148 nan 8.270 nan 0.000 0.488 84 P HA 0.082 nan 4.420 nan 0.000 0.269 84 P C -0.153 176.993 177.300 -0.256 0.000 1.217 84 P CA -0.170 62.701 63.100 -0.381 0.000 0.783 84 P CB 0.886 32.530 31.700 -0.093 0.000 0.898 85 R N 1.313 121.735 120.500 -0.131 0.000 2.127 85 R HA 0.055 4.395 4.340 -0.001 0.000 0.217 85 R C 0.381 176.651 176.300 -0.050 0.000 1.074 85 R CA 1.249 57.297 56.100 -0.087 0.000 0.991 85 R CB -0.395 29.883 30.300 -0.038 0.000 0.895 85 R HN 0.601 nan 8.270 nan 0.000 0.450 86 S N -0.976 114.710 115.700 -0.024 0.000 2.671 86 S HA 0.491 4.961 4.470 -0.001 0.000 0.299 86 S C -1.074 173.524 174.600 -0.002 0.000 1.116 86 S CA -1.145 57.050 58.200 -0.009 0.000 0.912 86 S CB 1.875 65.078 63.200 0.006 0.000 1.130 86 S HN 0.044 nan 8.310 nan 0.000 0.501 87 D N 1.151 121.552 120.400 0.003 0.000 2.304 87 D HA 0.531 5.171 4.640 -0.001 0.000 0.247 87 D C 0.321 176.632 176.300 0.020 0.000 1.089 87 D CA 0.039 54.045 54.000 0.010 0.000 0.910 87 D CB 1.589 42.394 40.800 0.009 0.000 1.199 87 D HN 0.823 nan 8.370 nan 0.000 0.426 88 A N 3.295 126.132 122.820 0.027 0.000 2.407 88 A HA 0.262 4.581 4.320 -0.001 0.000 0.248 88 A C -1.416 176.184 177.584 0.025 0.000 1.082 88 A CA -0.870 51.187 52.037 0.032 0.000 0.785 88 A CB 0.202 19.226 19.000 0.040 0.000 1.020 88 A HN 0.318 nan 8.150 nan 0.000 0.489 89 P HA -0.205 nan 4.420 nan 0.000 0.216 89 P C 1.613 178.923 177.300 0.017 0.000 1.154 89 P CA 2.286 65.397 63.100 0.019 0.000 0.865 89 P CB -0.269 31.442 31.700 0.018 0.000 0.789 90 V N -3.484 116.442 119.914 0.020 0.000 2.490 90 V HA -0.183 3.937 4.120 -0.001 0.000 0.250 90 V C 2.095 178.199 176.094 0.017 0.000 1.061 90 V CA 1.827 64.137 62.300 0.017 0.000 1.064 90 V CB -1.790 30.046 31.823 0.021 0.000 0.670 90 V HN -0.045 nan 8.190 nan 0.000 0.461 91 V N -0.265 119.662 119.914 0.021 0.000 2.427 91 V HA -0.170 3.950 4.120 -0.001 0.000 0.248 91 V C 2.734 178.838 176.094 0.016 0.000 1.051 91 V CA 2.263 64.576 62.300 0.021 0.000 1.048 91 V CB -0.556 31.282 31.823 0.024 0.000 0.666 91 V HN 0.407 nan 8.190 nan 0.000 0.456 92 M N -1.236 118.373 119.600 0.014 0.000 2.296 92 M HA -0.091 4.389 4.480 -0.001 0.000 0.265 92 M C 2.123 178.429 176.300 0.010 0.000 1.064 92 M CA 1.644 56.951 55.300 0.012 0.000 1.109 92 M CB -0.937 31.669 32.600 0.011 0.000 1.396 92 M HN 0.331 nan 8.290 nan 0.000 0.430 93 M N -0.470 119.135 119.600 0.009 0.000 2.159 93 M HA -0.207 4.273 4.480 -0.001 0.000 0.263 93 M C 2.071 178.373 176.300 0.002 0.000 1.063 93 M CA 1.431 56.734 55.300 0.005 0.000 1.110 93 M CB -0.395 32.206 32.600 0.001 0.000 1.374 93 M HN 0.205 nan 8.290 nan 0.000 0.411 94 L N -0.346 120.879 121.223 0.004 0.000 2.044 94 L HA -0.178 4.162 4.340 -0.001 0.000 0.205 94 L C 2.490 179.363 176.870 0.006 0.000 1.075 94 L CA 1.150 55.992 54.840 0.003 0.000 0.747 94 L CB -0.607 41.456 42.059 0.007 0.000 0.903 94 L HN 0.223 nan 8.230 nan 0.000 0.435 95 K N 0.231 120.637 120.400 0.009 0.000 2.063 95 K HA -0.172 4.148 4.320 -0.001 0.000 0.208 95 K C 2.187 178.792 176.600 0.008 0.000 1.048 95 K CA 1.329 57.622 56.287 0.010 0.000 0.928 95 K CB -0.230 32.276 32.500 0.011 0.000 0.713 95 K HN 0.294 nan 8.250 nan 0.000 0.442 96 R N 0.355 120.860 120.500 0.008 0.000 2.189 96 R HA -0.039 4.301 4.340 -0.001 0.000 0.223 96 R C 2.021 178.325 176.300 0.007 0.000 1.092 96 R CA 0.925 57.029 56.100 0.008 0.000 0.989 96 R CB -0.144 30.161 30.300 0.008 0.000 0.876 96 R HN 0.164 nan 8.270 nan 0.000 0.457 97 A N -0.151 122.672 122.820 0.006 0.000 2.238 97 A HA 0.226 4.545 4.320 -0.001 0.000 0.208 97 A C 1.421 179.008 177.584 0.005 0.000 1.177 97 A CA 0.823 52.863 52.037 0.005 0.000 0.804 97 A CB 0.105 19.105 19.000 0.001 0.000 0.823 97 A HN 0.428 nan 8.150 nan 0.000 0.482 98 G N -2.207 106.596 108.800 0.006 0.000 2.179 98 G HA2 0.127 4.087 3.960 -0.001 0.000 0.220 98 G HA3 0.127 4.087 3.960 -0.001 0.000 0.220 98 G C 0.496 175.399 174.900 0.006 0.000 0.990 98 G CA 0.222 45.326 45.100 0.006 0.000 0.646 98 G HN 1.468 nan 8.290 nan 0.000 0.517 99 A N -0.243 122.580 122.820 0.005 0.000 2.327 99 A HA 0.726 5.046 4.320 -0.001 0.000 0.255 99 A C 0.556 178.146 177.584 0.009 0.000 1.099 99 A CA 1.127 53.167 52.037 0.005 0.000 0.801 99 A CB 0.485 19.488 19.000 0.004 0.000 1.062 99 A HN 0.762 nan 8.150 nan 0.000 0.496 100 T N 2.047 116.606 114.554 0.008 0.000 2.786 100 T HA 0.413 4.763 4.350 -0.001 0.000 0.283 100 T C -0.174 174.539 174.700 0.021 0.000 0.992 100 T CA -0.218 61.890 62.100 0.014 0.000 0.954 100 T CB 0.514 69.386 68.868 0.008 0.000 0.934 100 T HN 0.369 nan 8.240 nan 0.000 0.440 101 I N 4.628 125.219 120.570 0.034 0.000 2.329 101 I HA 0.208 4.378 4.170 -0.001 0.000 0.295 101 I C 1.233 177.392 176.117 0.069 0.000 1.109 101 I CA -0.031 61.300 61.300 0.051 0.000 1.297 101 I CB 0.094 38.123 38.000 0.048 0.000 1.433 101 I HN 0.746 nan 8.210 nan 0.000 0.509 102 I N 4.639 125.257 120.570 0.080 0.000 3.226 102 I HA 0.204 4.373 4.170 -0.001 0.000 0.277 102 I C 0.894 177.118 176.117 0.177 0.000 1.243 102 I CA 0.402 61.757 61.300 0.092 0.000 1.459 102 I CB 0.445 38.429 38.000 -0.026 0.000 1.093 102 I HN 0.716 nan 8.210 nan 0.000 0.453 103 G N 0.279 109.223 108.800 0.240 0.000 2.316 103 G HA2 0.182 4.142 3.960 -0.001 0.000 0.296 103 G HA3 0.182 4.142 3.960 -0.001 0.000 0.296 103 G C -1.831 173.267 174.900 0.330 0.000 1.399 103 G CA -0.839 44.459 45.100 0.330 0.000 0.833 103 G HN -0.187 nan 8.290 nan 0.000 0.565 104 K N 1.432 122.009 120.400 0.295 0.000 2.213 104 K HA 0.603 4.923 4.320 -0.001 0.000 0.270 104 K C 0.351 176.987 176.600 0.060 0.000 1.002 104 K CA -0.492 55.878 56.287 0.139 0.000 0.868 104 K CB 1.390 33.948 32.500 0.096 0.000 1.093 104 K HN 0.864 nan 8.250 nan 0.000 0.454 105 T N -1.487 112.989 114.554 -0.129 0.000 2.909 105 T HA 0.225 4.575 4.350 -0.001 0.000 0.286 105 T C 0.536 175.138 174.700 -0.163 0.000 1.002 105 T CA -0.779 61.131 62.100 -0.317 0.000 1.074 105 T CB 0.600 69.193 68.868 -0.459 0.000 0.984 105 T HN 0.561 nan 8.240 nan 0.000 0.495 106 T N 0.214 114.676 114.554 -0.154 0.000 2.946 106 T HA 0.338 4.688 4.350 -0.001 0.000 0.311 106 T C 0.192 174.843 174.700 -0.082 0.000 1.063 106 T CA -0.470 61.579 62.100 -0.084 0.000 1.139 106 T CB 0.376 69.209 68.868 -0.058 0.000 0.994 106 T HN 0.927 nan 8.240 nan 0.000 0.547 107 T N 1.896 116.413 114.554 -0.063 0.000 2.912 107 T HA 0.581 4.931 4.350 -0.001 0.000 0.299 107 T C 0.201 174.866 174.700 -0.057 0.000 1.052 107 T CA -0.454 61.614 62.100 -0.053 0.000 0.996 107 T CB 1.321 70.154 68.868 -0.058 0.000 1.070 107 T HN 1.097 nan 8.240 nan 0.000 0.465 108 T N 1.953 116.486 114.554 -0.034 0.000 2.856 108 T HA 0.550 4.900 4.350 -0.001 0.000 0.306 108 T C 0.802 175.453 174.700 -0.081 0.000 1.062 108 T CA -0.395 61.685 62.100 -0.032 0.000 1.083 108 T CB 0.259 69.131 68.868 0.006 0.000 0.984 108 T HN 0.992 nan 8.240 nan 0.000 0.542 109 A N 1.904 124.674 122.820 -0.082 0.000 2.563 109 A HA 0.336 4.655 4.320 -0.001 0.000 0.256 109 A C 0.559 178.093 177.584 -0.082 0.000 1.056 109 A CA -0.346 51.598 52.037 -0.154 0.000 0.775 109 A CB -1.580 17.417 19.000 -0.005 0.000 0.973 109 A HN 1.062 nan 8.150 nan 0.000 0.516 110 F N 0.351 120.235 119.950 -0.110 0.000 3.097 110 F HA -0.268 4.258 4.527 -0.000 0.000 0.278 110 F C 1.417 177.057 175.800 -0.267 0.000 0.917 110 F CA 1.391 59.280 58.000 -0.185 0.000 0.962 110 F CB -2.058 36.815 39.000 -0.212 0.000 0.964 110 F HN 1.814 nan 8.300 nan 0.000 0.668 111 A N -1.147 121.634 122.820 -0.064 0.000 2.783 111 A HA -0.166 4.154 4.320 -0.001 0.000 0.292 111 A C 1.108 178.675 177.584 -0.028 0.000 1.495 111 A CA 1.316 53.345 52.037 -0.013 0.000 0.787 111 A CB -1.625 17.421 19.000 0.077 0.000 1.017 111 A HN 0.845 nan 8.150 nan 0.000 0.516 112 S N -1.654 114.003 115.700 -0.072 0.000 2.869 112 S HA 0.577 5.046 4.470 -0.001 0.000 0.237 112 S C 1.576 176.218 174.600 0.069 0.000 1.077 112 S CA 0.142 58.336 58.200 -0.011 0.000 1.140 112 S CB 0.471 63.607 63.200 -0.107 0.000 1.187 112 S HN 0.547 nan 8.310 nan 0.000 0.571 113 R N 0.727 121.270 120.500 0.071 0.000 2.119 113 R HA 0.122 4.462 4.340 -0.001 0.000 0.222 113 R C -0.245 176.089 176.300 0.058 0.000 1.088 113 R CA 0.607 56.752 56.100 0.075 0.000 0.984 113 R CB -0.408 29.937 30.300 0.074 0.000 0.884 113 R HN 0.576 nan 8.270 nan 0.000 0.447 114 D N 3.292 123.718 120.400 0.043 0.000 2.455 114 D HA 0.022 4.661 4.640 -0.001 0.000 0.265 114 D C -2.219 174.098 176.300 0.028 0.000 1.284 114 D CA -0.461 53.559 54.000 0.033 0.000 0.944 114 D CB 0.611 41.428 40.800 0.028 0.000 1.121 114 D HN 0.004 nan 8.370 nan 0.000 0.525 115 P HA -0.074 nan 4.420 nan 0.000 0.267 115 P C 0.386 177.695 177.300 0.015 0.000 1.201 115 P CA 0.158 63.276 63.100 0.031 0.000 0.775 115 P CB 0.579 32.297 31.700 0.030 0.000 0.854 116 T N -1.506 113.056 114.554 0.015 0.000 2.893 116 T HA 0.587 4.937 4.350 -0.001 0.000 0.279 116 T C 0.922 175.625 174.700 0.005 0.000 0.991 116 T CA -0.249 61.852 62.100 0.002 0.000 0.950 116 T CB 0.823 69.689 68.868 -0.003 0.000 1.223 116 T HN 0.232 nan 8.240 nan 0.000 0.585 117 A N -0.008 122.810 122.820 -0.003 0.000 2.275 117 A HA 0.370 4.690 4.320 -0.001 0.000 0.212 117 A C 1.122 178.734 177.584 0.047 0.000 1.201 117 A CA -0.325 51.706 52.037 -0.011 0.000 0.843 117 A CB -0.867 18.087 19.000 -0.078 0.000 0.873 117 A HN 0.807 nan 8.150 nan 0.000 0.492 118 T N 1.125 115.715 114.554 0.061 0.000 2.926 118 T HA 0.441 4.791 4.350 -0.001 0.000 0.307 118 T C -0.069 174.684 174.700 0.088 0.000 1.059 118 T CA 0.547 62.703 62.100 0.092 0.000 1.122 118 T CB 0.519 69.405 68.868 0.029 0.000 0.972 118 T HN 0.253 nan 8.240 nan 0.000 0.545 119 L N 2.360 123.637 121.223 0.091 0.000 2.341 119 L HA 0.472 4.812 4.340 -0.001 0.000 0.267 119 L C 0.589 177.484 176.870 0.041 0.000 1.009 119 L CA -1.257 53.625 54.840 0.070 0.000 0.819 119 L CB 1.290 43.397 42.059 0.080 0.000 1.323 119 L HN 0.520 nan 8.230 nan 0.000 0.425 120 N N 2.102 120.840 118.700 0.064 0.000 2.447 120 N HA 0.057 4.797 4.740 -0.001 0.000 0.263 120 N C -1.940 173.574 175.510 0.008 0.000 1.226 120 N CA -1.095 51.994 53.050 0.064 0.000 0.906 120 N CB 1.677 40.232 38.487 0.113 0.000 1.060 120 N HN 0.307 nan 8.380 nan 0.000 0.468 121 P HA -0.103 nan 4.420 nan 0.000 0.218 121 P C 0.712 177.855 177.300 -0.261 0.000 1.148 121 P CA 1.285 64.267 63.100 -0.196 0.000 0.822 121 P CB 0.131 31.653 31.700 -0.296 0.000 0.784 122 H N -2.524 116.543 119.070 -0.006 0.000 2.502 122 H HA 0.137 4.693 4.556 -0.001 0.000 0.283 122 H C 0.575 175.891 175.328 -0.021 0.000 1.015 122 H CA 0.932 56.969 56.048 -0.018 0.000 1.298 122 H CB 0.099 29.844 29.762 -0.029 0.000 1.411 122 H HN 0.160 nan 8.280 nan 0.000 0.556 123 N N 0.393 119.141 118.700 0.080 0.000 2.976 123 N HA -0.073 4.667 4.740 -0.001 0.000 0.249 123 N C 0.567 176.146 175.510 0.115 0.000 1.258 123 N CA 0.307 53.407 53.050 0.084 0.000 0.864 123 N CB 0.770 39.296 38.487 0.064 0.000 1.551 123 N HN 0.087 nan 8.380 nan 0.000 0.607 124 T N -0.854 113.742 114.554 0.069 0.000 3.052 124 T HA -0.050 4.299 4.350 -0.001 0.000 0.270 124 T C 1.588 176.330 174.700 0.070 0.000 1.147 124 T CA 1.398 63.533 62.100 0.058 0.000 1.089 124 T CB -0.213 68.673 68.868 0.030 0.000 0.875 124 T HN 0.439 nan 8.240 nan 0.000 0.541 125 G N -0.300 108.559 108.800 0.098 0.000 2.920 125 G HA2 0.135 4.095 3.960 -0.001 0.000 0.208 125 G HA3 0.135 4.095 3.960 -0.001 0.000 0.208 125 G C 0.409 175.234 174.900 -0.125 0.000 1.159 125 G CA -0.272 44.835 45.100 0.012 0.000 0.784 125 G HN 0.583 nan 8.290 nan 0.000 0.535 126 H N -0.600 118.464 119.070 -0.009 0.000 2.710 126 H HA 0.412 4.968 4.556 -0.001 0.000 0.361 126 H C -0.478 174.839 175.328 -0.018 0.000 1.175 126 H CA -0.604 55.425 56.048 -0.030 0.000 1.206 126 H CB 1.936 31.664 29.762 -0.058 0.000 1.750 126 H HN 0.101 nan 8.280 nan 0.000 0.553 127 S N 1.660 117.404 115.700 0.073 0.000 2.580 127 S HA 0.076 4.546 4.470 -0.001 0.000 0.274 127 S C -1.630 173.037 174.600 0.111 0.000 1.329 127 S CA -1.182 57.060 58.200 0.070 0.000 1.036 127 S CB 0.659 63.897 63.200 0.064 0.000 0.919 127 S HN 0.521 nan 8.310 nan 0.000 0.515 128 P HA 0.277 nan 4.420 nan 0.000 0.261 128 P C 0.682 178.148 177.300 0.276 0.000 1.268 128 P CA 0.521 63.719 63.100 0.164 0.000 0.833 128 P CB -0.347 31.395 31.700 0.071 0.000 1.231 129 G N -0.970 108.037 108.800 0.345 0.000 2.631 129 G HA2 0.275 4.235 3.960 -0.001 0.000 0.504 129 G HA3 0.275 4.235 3.960 -0.001 0.000 0.504 129 G C -0.571 174.430 174.900 0.168 0.000 1.306 129 G CA -0.648 44.675 45.100 0.372 0.000 0.897 129 G HN 0.524 nan 8.290 nan 0.000 0.520 130 G N -2.587 106.288 108.800 0.125 0.000 2.660 130 G HA2 0.813 4.772 3.960 -0.001 0.000 0.290 130 G HA3 0.813 4.772 3.960 -0.001 0.000 0.290 130 G C 0.421 175.383 174.900 0.104 0.000 1.432 130 G CA 1.000 46.158 45.100 0.096 0.000 0.807 130 G HN 2.056 nan 8.290 nan 0.000 0.485 131 A N -0.377 122.511 122.820 0.113 0.000 2.147 131 A HA 0.386 4.706 4.320 -0.001 0.000 0.211 131 A C 1.544 179.160 177.584 0.053 0.000 1.160 131 A CA 1.101 53.188 52.037 0.084 0.000 0.781 131 A CB -0.006 19.051 19.000 0.094 0.000 0.842 131 A HN 0.766 nan 8.150 nan 0.000 0.475 132 S N 1.511 117.257 115.700 0.077 0.000 3.864 132 S HA 0.139 4.608 4.470 -0.001 0.000 0.202 132 S C 1.213 175.749 174.600 -0.107 0.000 1.402 132 S CA 0.210 58.420 58.200 0.017 0.000 1.072 132 S CB -0.171 63.126 63.200 0.160 0.000 1.383 132 S HN 0.547 nan 8.310 nan 0.000 0.458 133 S N 2.482 118.139 115.700 -0.072 0.000 2.354 133 S HA -0.124 4.345 4.470 -0.001 0.000 0.219 133 S C 2.388 176.881 174.600 -0.178 0.000 1.035 133 S CA 1.411 59.562 58.200 -0.082 0.000 1.037 133 S CB -0.864 62.318 63.200 -0.030 0.000 0.956 133 S HN 0.732 nan 8.310 nan 0.000 0.428 134 G N 1.259 109.939 108.800 -0.200 0.000 2.476 134 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.218 134 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.218 134 G C 1.586 176.227 174.900 -0.431 0.000 1.164 134 G CA 1.310 46.231 45.100 -0.299 0.000 0.768 134 G HN 0.515 nan 8.290 nan 0.000 0.560 135 S N 0.824 116.241 115.700 -0.471 0.000 2.383 135 S HA -0.019 4.450 4.470 -0.001 0.000 0.229 135 S C 2.718 176.818 174.600 -0.834 0.000 1.030 135 S CA 1.298 59.129 58.200 -0.615 0.000 1.002 135 S CB -0.289 62.544 63.200 -0.612 0.000 0.829 135 S HN 0.620 nan 8.310 nan 0.000 0.467 136 A N 1.313 123.591 122.820 -0.904 0.000 1.874 136 A HA 0.325 4.645 4.320 -0.001 0.000 0.214 136 A C 2.347 179.770 177.584 -0.268 0.000 1.189 136 A CA 1.351 53.004 52.037 -0.640 0.000 0.615 136 A CB -1.055 17.719 19.000 -0.377 0.000 0.830 136 A HN 0.485 nan 8.150 nan 0.000 0.443 137 A N 0.090 122.774 122.820 -0.226 0.000 1.902 137 A HA 0.141 4.461 4.320 -0.001 0.000 0.217 137 A C 2.494 179.989 177.584 -0.148 0.000 1.181 137 A CA 2.164 54.117 52.037 -0.139 0.000 0.623 137 A CB -1.018 17.914 19.000 -0.114 0.000 0.818 137 A HN 1.011 nan 8.150 nan 0.000 0.443 138 A N -0.688 122.006 122.820 -0.211 0.000 1.877 138 A HA 0.005 4.324 4.320 -0.001 0.000 0.216 138 A C 2.244 179.777 177.584 -0.085 0.000 1.186 138 A CA 1.830 53.778 52.037 -0.148 0.000 0.620 138 A CB -0.914 17.904 19.000 -0.303 0.000 0.822 138 A HN 0.390 nan 8.150 nan 0.000 0.443 139 V N -0.179 119.669 119.914 -0.110 0.000 2.358 139 V HA -0.129 3.991 4.120 -0.001 0.000 0.246 139 V C 2.765 178.844 176.094 -0.024 0.000 1.047 139 V CA 1.851 64.126 62.300 -0.041 0.000 1.035 139 V CB -1.303 30.520 31.823 -0.000 0.000 0.658 139 V HN 0.614 nan 8.190 nan 0.000 0.452 140 G N -0.560 108.220 108.800 -0.035 0.000 2.471 140 G HA2 -0.075 3.884 3.960 -0.001 0.000 0.219 140 G HA3 -0.075 3.884 3.960 -0.001 0.000 0.219 140 G C 1.362 176.201 174.900 -0.102 0.000 1.125 140 G CA 0.804 45.894 45.100 -0.017 0.000 0.775 140 G HN 0.620 nan 8.290 nan 0.000 0.548 141 A N -0.320 122.439 122.820 -0.103 0.000 2.307 141 A HA 0.507 4.827 4.320 -0.001 0.000 0.218 141 A C 1.882 179.425 177.584 -0.068 0.000 1.228 141 A CA 1.048 53.017 52.037 -0.113 0.000 0.857 141 A CB -0.385 18.556 19.000 -0.098 0.000 0.897 141 A HN 1.455 nan 8.150 nan 0.000 0.495 142 G N -0.749 108.024 108.800 -0.045 0.000 2.160 142 G HA2 -0.342 3.617 3.960 -0.001 0.000 0.251 142 G HA3 -0.342 3.617 3.960 -0.001 0.000 0.251 142 G C 0.799 175.685 174.900 -0.023 0.000 1.008 142 G CA 0.815 45.898 45.100 -0.028 0.000 0.724 142 G HN 0.399 nan 8.290 nan 0.000 0.514 143 M N -0.607 118.985 119.600 -0.012 0.000 2.160 143 M HA 0.263 4.743 4.480 -0.001 0.000 0.264 143 M C 1.579 177.878 176.300 -0.001 0.000 1.073 143 M CA 1.727 57.028 55.300 0.001 0.000 1.142 143 M CB 0.005 32.648 32.600 0.072 0.000 1.358 143 M HN 0.570 nan 8.290 nan 0.000 0.422 144 I N -3.737 116.845 120.570 0.019 0.000 2.934 144 I HA 0.375 4.545 4.170 -0.001 0.000 0.306 144 I C -2.330 173.790 176.117 0.004 0.000 1.110 144 I CA -2.235 59.073 61.300 0.014 0.000 1.019 144 I CB 1.842 39.880 38.000 0.062 0.000 1.227 144 I HN -0.184 nan 8.210 nan 0.000 0.434 145 P HA 0.084 nan 4.420 nan 0.000 0.224 145 P C -0.020 177.283 177.300 0.005 0.000 1.157 145 P CA 0.816 63.913 63.100 -0.006 0.000 0.799 145 P CB 0.799 32.489 31.700 -0.016 0.000 0.809 146 L N -1.277 119.956 121.223 0.017 0.000 2.409 146 L HA 0.785 5.125 4.340 -0.001 0.000 0.255 146 L C -1.835 175.068 176.870 0.055 0.000 1.027 146 L CA -0.935 53.926 54.840 0.036 0.000 0.834 146 L CB 2.268 44.335 42.059 0.014 0.000 1.426 146 L HN -0.059 nan 8.230 nan 0.000 0.411 147 A N 2.797 125.679 122.820 0.104 0.000 2.565 147 A HA 0.657 4.977 4.320 -0.001 0.000 0.298 147 A C -2.063 175.656 177.584 0.225 0.000 1.062 147 A CA -0.490 51.613 52.037 0.108 0.000 0.723 147 A CB 0.948 19.953 19.000 0.009 0.000 1.282 147 A HN 0.616 nan 8.150 nan 0.000 0.400 148 L N 1.619 122.932 121.223 0.151 0.000 2.343 148 L HA 0.826 5.165 4.340 -0.001 0.000 0.275 148 L C 0.882 177.884 176.870 0.219 0.000 1.056 148 L CA -0.213 54.728 54.840 0.169 0.000 0.804 148 L CB 1.945 44.056 42.059 0.087 0.000 1.203 148 L HN 1.020 nan 8.230 nan 0.000 0.440 149 G N 0.300 109.264 108.800 0.274 0.000 2.782 149 G HA2 0.718 4.677 3.960 -0.001 0.000 0.304 149 G HA3 0.718 4.677 3.960 -0.001 0.000 0.304 149 G C -1.170 173.847 174.900 0.195 0.000 1.315 149 G CA -0.040 45.234 45.100 0.291 0.000 0.791 149 G HN 0.578 nan 8.290 nan 0.000 0.519 150 T N -2.947 111.721 114.554 0.190 0.000 2.816 150 T HA 0.730 5.079 4.350 -0.001 0.000 0.299 150 T C -1.121 173.678 174.700 0.166 0.000 1.230 150 T CA -0.659 61.535 62.100 0.157 0.000 1.007 150 T CB 2.212 71.173 68.868 0.156 0.000 1.289 150 T HN 0.815 nan 8.240 nan 0.000 0.508 151 Q N -0.290 119.607 119.800 0.161 0.000 2.263 151 Q HA 0.535 4.874 4.340 -0.001 0.000 0.262 151 Q C -0.680 175.417 176.000 0.162 0.000 0.984 151 Q CA -0.600 55.298 55.803 0.158 0.000 0.813 151 Q CB 2.007 30.824 28.738 0.131 0.000 1.299 151 Q HN 0.828 nan 8.270 nan 0.000 0.428 152 T N 1.471 116.116 114.554 0.152 0.000 3.056 152 T HA 0.239 4.588 4.350 -0.001 0.000 0.243 152 T C 0.743 175.517 174.700 0.124 0.000 0.995 152 T CA 0.824 62.972 62.100 0.080 0.000 1.091 152 T CB 0.500 69.346 68.868 -0.036 0.000 0.990 152 T HN 0.666 nan 8.240 nan 0.000 0.464 153 G N 0.432 109.303 108.800 0.118 0.000 2.732 153 G HA2 0.475 4.434 3.960 -0.001 0.000 0.206 153 G HA3 0.475 4.434 3.960 -0.001 0.000 0.206 153 G C 0.892 175.820 174.900 0.048 0.000 1.253 153 G CA 0.502 45.630 45.100 0.047 0.000 0.796 153 G HN 0.511 nan 8.290 nan 0.000 0.616 154 G N 0.024 108.875 108.800 0.086 0.000 5.129 154 G HA2 0.317 4.277 3.960 -0.001 0.000 0.253 154 G HA3 0.317 4.277 3.960 -0.001 0.000 0.253 154 G C 0.785 175.743 174.900 0.098 0.000 0.912 154 G CA 0.807 45.964 45.100 0.095 0.000 0.729 154 G HN 0.216 nan 8.290 nan 0.000 0.373 155 S N -0.053 115.724 115.700 0.127 0.000 2.500 155 S HA -0.053 4.416 4.470 -0.001 0.000 0.239 155 S C 2.153 176.877 174.600 0.208 0.000 0.989 155 S CA 1.088 59.380 58.200 0.153 0.000 0.951 155 S CB 0.206 63.510 63.200 0.173 0.000 0.759 155 S HN 0.289 nan 8.310 nan 0.000 0.523 156 V N 0.855 120.857 119.914 0.147 0.000 2.599 156 V HA 0.059 4.179 4.120 -0.001 0.000 0.237 156 V C 2.058 178.174 176.094 0.036 0.000 1.081 156 V CA 0.429 62.774 62.300 0.075 0.000 1.107 156 V CB -0.350 31.395 31.823 -0.129 0.000 0.808 156 V HN 0.332 nan 8.190 nan 0.000 0.486 157 I N 0.645 121.221 120.570 0.011 0.000 2.127 157 I HA -0.225 3.944 4.170 -0.001 0.000 0.241 157 I C 2.596 178.716 176.117 0.004 0.000 1.075 157 I CA 1.867 63.173 61.300 0.010 0.000 1.334 157 I CB -1.178 36.845 38.000 0.039 0.000 1.040 157 I HN 0.320 nan 8.210 nan 0.000 0.405 158 R N 1.280 121.759 120.500 -0.035 0.000 2.097 158 R HA -0.155 4.184 4.340 -0.001 0.000 0.236 158 R C -0.410 175.680 176.300 -0.351 0.000 1.135 158 R CA 2.344 58.301 56.100 -0.238 0.000 0.934 158 R CB -1.214 28.939 30.300 -0.243 0.000 0.846 158 R HN 0.256 nan 8.270 nan 0.000 0.431 159 P HA -0.105 nan 4.420 nan 0.000 0.218 159 P C 0.800 178.190 177.300 0.149 0.000 1.149 159 P CA 1.836 64.954 63.100 0.031 0.000 0.817 159 P CB -0.034 31.728 31.700 0.103 0.000 0.785 160 A N 0.860 123.829 122.820 0.249 0.000 1.877 160 A HA -0.062 4.257 4.320 -0.001 0.000 0.216 160 A C 2.538 180.215 177.584 0.155 0.000 1.186 160 A CA 2.228 54.436 52.037 0.284 0.000 0.620 160 A CB -1.562 17.575 19.000 0.228 0.000 0.822 160 A HN 0.227 nan 8.150 nan 0.000 0.443 161 A N -1.116 121.751 122.820 0.077 0.000 1.865 161 A HA -0.157 4.163 4.320 -0.001 0.000 0.217 161 A C 2.150 179.848 177.584 0.189 0.000 1.191 161 A CA 1.528 53.613 52.037 0.080 0.000 0.623 161 A CB -1.047 17.966 19.000 0.022 0.000 0.826 161 A HN 0.678 nan 8.150 nan 0.000 0.444 162 Y N -0.925 119.420 120.300 0.074 0.000 2.207 162 Y HA -0.301 4.249 4.550 -0.000 0.000 0.287 162 Y C 2.404 178.356 175.900 0.087 0.000 1.156 162 Y CA 0.809 58.947 58.100 0.063 0.000 1.182 162 Y CB -0.286 38.223 38.460 0.081 0.000 0.979 162 Y HN 0.386 nan 8.280 nan 0.000 0.521 163 C N -0.361 119.112 119.300 0.289 0.000 2.697 163 C HA 0.315 4.775 4.460 -0.001 0.000 0.267 163 C C 1.624 176.800 174.990 0.310 0.000 1.278 163 C CA 0.430 59.630 59.018 0.303 0.000 1.708 163 C CB -0.766 27.081 27.740 0.177 0.000 1.860 163 C HN 0.776 nan 8.230 nan 0.000 0.589 164 G N 2.669 111.560 108.800 0.152 0.000 2.295 164 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.287 164 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.287 164 G C 0.081 175.053 174.900 0.119 0.000 1.055 164 G CA 0.757 45.901 45.100 0.074 0.000 0.922 164 G HN 0.708 nan 8.290 nan 0.000 0.503 165 T N -2.978 111.656 114.554 0.133 0.000 2.924 165 T HA 0.883 5.232 4.350 -0.001 0.000 0.291 165 T C 0.342 175.100 174.700 0.096 0.000 1.045 165 T CA 0.246 62.419 62.100 0.122 0.000 1.015 165 T CB 2.306 71.275 68.868 0.167 0.000 1.103 165 T HN 1.725 nan 8.240 nan 0.000 0.496 166 A N 0.993 123.844 122.820 0.052 0.000 2.351 166 A HA 0.850 5.170 4.320 -0.001 0.000 0.257 166 A C 0.381 177.956 177.584 -0.015 0.000 1.087 166 A CA -0.213 51.825 52.037 0.002 0.000 0.798 166 A CB -0.251 18.726 19.000 -0.039 0.000 1.033 166 A HN 1.854 nan 8.150 nan 0.000 0.488 167 A N 0.752 123.516 122.820 -0.093 0.000 2.608 167 A HA 0.692 5.011 4.320 -0.001 0.000 0.292 167 A C -1.165 176.291 177.584 -0.213 0.000 1.066 167 A CA -0.224 51.661 52.037 -0.253 0.000 0.676 167 A CB 0.786 19.509 19.000 -0.461 0.000 1.277 167 A HN 1.706 nan 8.150 nan 0.000 0.413 168 I N 0.558 120.974 120.570 -0.256 0.000 2.607 168 I HA 0.509 4.679 4.170 -0.001 0.000 0.290 168 I C -0.869 175.162 176.117 -0.143 0.000 1.129 168 I CA -0.510 60.698 61.300 -0.153 0.000 1.042 168 I CB 1.763 39.702 38.000 -0.101 0.000 1.242 168 I HN 0.660 nan 8.210 nan 0.000 0.421 169 K N 9.082 129.443 120.400 -0.064 0.000 2.354 169 K HA 0.526 4.846 4.320 -0.001 0.000 0.257 169 K C -2.705 173.926 176.600 0.050 0.000 1.062 169 K CA -1.652 54.635 56.287 -0.001 0.000 0.971 169 K CB 1.123 33.653 32.500 0.050 0.000 1.305 169 K HN 0.280 nan 8.250 nan 0.000 0.449 170 P HA -0.014 nan 4.420 nan 0.000 0.272 170 P C -0.606 176.776 177.300 0.137 0.000 1.248 170 P CA -0.205 62.940 63.100 0.075 0.000 0.799 170 P CB 0.486 32.215 31.700 0.049 0.000 0.997 171 S N 0.122 115.885 115.700 0.104 0.000 2.552 171 S HA 0.009 4.479 4.470 -0.001 0.000 0.289 171 S C 0.161 174.963 174.600 0.338 0.000 1.304 171 S CA -0.116 58.179 58.200 0.158 0.000 1.063 171 S CB -0.620 62.390 63.200 -0.317 0.000 0.848 171 S HN 0.281 nan 8.310 nan 0.000 0.499 172 F N 3.971 124.175 119.950 0.423 0.000 2.623 172 F HA -0.035 4.491 4.527 -0.001 0.000 0.386 172 F C 1.504 177.480 175.800 0.293 0.000 1.068 172 F CA 0.441 58.636 58.000 0.325 0.000 1.265 172 F CB -0.235 38.934 39.000 0.282 0.000 1.026 172 F HN 0.769 nan 8.300 nan 0.000 0.568 173 R N 3.013 123.290 120.500 -0.372 0.000 3.989 173 R HA -0.298 4.041 4.340 -0.001 0.000 0.377 173 R C 1.444 177.691 176.300 -0.089 0.000 1.158 173 R CA 1.141 57.033 56.100 -0.347 0.000 1.035 173 R CB -1.911 28.108 30.300 -0.469 0.000 1.557 173 R HN 0.847 nan 8.270 nan 0.000 0.551 174 M N 0.398 119.992 119.600 -0.010 0.000 2.156 174 M HA 0.003 4.483 4.480 -0.001 0.000 0.264 174 M C 0.228 176.532 176.300 0.007 0.000 1.067 174 M CA 1.572 56.878 55.300 0.009 0.000 1.131 174 M CB 0.396 33.016 32.600 0.034 0.000 1.368 174 M HN 0.145 nan 8.290 nan 0.000 0.416 175 L N 3.019 124.244 121.223 0.002 0.000 2.272 175 L HA 0.411 4.751 4.340 -0.001 0.000 0.289 175 L C -2.049 174.816 176.870 -0.009 0.000 1.032 175 L CA -2.243 52.597 54.840 0.001 0.000 0.810 175 L CB 0.926 42.989 42.059 0.006 0.000 1.205 175 L HN 0.098 nan 8.230 nan 0.000 0.422 176 P HA -0.002 nan 4.420 nan 0.000 0.266 176 P C 0.358 177.665 177.300 0.013 0.000 1.195 176 P CA -0.097 62.998 63.100 -0.007 0.000 0.768 176 P CB 0.743 32.444 31.700 0.002 0.000 0.838 177 T N -1.732 112.833 114.554 0.018 0.000 3.163 177 T HA 0.143 4.493 4.350 -0.001 0.000 0.252 177 T C 0.670 175.406 174.700 0.060 0.000 1.056 177 T CA -0.357 61.776 62.100 0.055 0.000 0.947 177 T CB -0.452 68.468 68.868 0.086 0.000 1.016 177 T HN 0.098 nan 8.240 nan 0.000 0.554 178 V N 2.118 122.057 119.914 0.042 0.000 2.585 178 V HA 0.454 4.574 4.120 -0.001 0.000 0.296 178 V C 1.687 177.810 176.094 0.049 0.000 1.035 178 V CA 1.087 63.411 62.300 0.041 0.000 1.084 178 V CB -0.099 31.741 31.823 0.028 0.000 0.953 178 V HN 0.828 nan 8.190 nan 0.000 0.483 179 G N 3.856 112.691 108.800 0.058 0.000 2.159 179 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.256 179 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.256 179 G C -0.002 174.941 174.900 0.072 0.000 0.977 179 G CA 0.033 45.173 45.100 0.066 0.000 0.652 179 G HN 0.821 nan 8.290 nan 0.000 0.531 180 V N 1.136 121.096 119.914 0.077 0.000 2.311 180 V HA 0.459 4.579 4.120 -0.001 0.000 0.275 180 V C 0.770 176.923 176.094 0.099 0.000 1.022 180 V CA -1.010 61.341 62.300 0.085 0.000 0.830 180 V CB 1.426 33.305 31.823 0.094 0.000 1.012 180 V HN 0.406 nan 8.190 nan 0.000 0.452 181 K N 3.938 124.386 120.400 0.080 0.000 2.438 181 K HA -0.099 4.221 4.320 -0.001 0.000 0.270 181 K C -0.166 176.520 176.600 0.143 0.000 1.095 181 K CA 0.484 56.821 56.287 0.082 0.000 1.174 181 K CB -0.434 32.084 32.500 0.029 0.000 0.830 181 K HN 0.778 nan 8.250 nan 0.000 0.487 182 C N 6.386 125.788 119.300 0.170 0.000 2.585 182 C HA 0.250 4.710 4.460 -0.001 0.000 0.406 182 C C 1.117 176.277 174.990 0.284 0.000 1.312 182 C CA -0.531 58.633 59.018 0.242 0.000 1.924 182 C CB -0.853 27.053 27.740 0.276 0.000 2.578 182 C HN 0.961 nan 8.230 nan 0.000 0.580 183 Y N 2.917 123.297 120.300 0.132 0.000 2.439 183 Y HA 0.253 4.802 4.550 -0.000 0.000 0.281 183 Y C 1.227 177.142 175.900 0.025 0.000 1.145 183 Y CA 0.379 58.523 58.100 0.074 0.000 1.252 183 Y CB 0.106 38.610 38.460 0.072 0.000 1.271 183 Y HN 0.618 nan 8.280 nan 0.000 0.516 184 S N 0.279 116.042 115.700 0.105 0.000 2.779 184 S HA 0.136 4.605 4.470 -0.001 0.000 0.293 184 S C -0.271 174.320 174.600 -0.016 0.000 1.150 184 S CA -0.795 57.299 58.200 -0.176 0.000 1.057 184 S CB -0.053 62.899 63.200 -0.414 0.000 1.021 184 S HN 0.514 nan 8.310 nan 0.000 0.485 185 W N 4.300 125.672 121.300 0.119 0.000 2.465 185 W HA 0.192 4.850 4.660 -0.002 0.000 0.268 185 W C 1.336 178.011 176.519 0.259 0.000 1.242 185 W CA 0.827 58.275 57.345 0.172 0.000 1.248 185 W CB -0.569 28.976 29.460 0.142 0.000 1.118 185 W HN 0.677 nan 8.180 nan 0.000 0.587 186 A N 0.224 122.997 122.820 -0.077 0.000 2.178 186 A HA 0.250 4.570 4.320 -0.001 0.000 0.211 186 A C 1.861 179.330 177.584 -0.192 0.000 1.157 186 A CA 0.856 52.893 52.037 0.001 0.000 0.780 186 A CB -0.307 18.572 19.000 -0.201 0.000 0.828 186 A HN 0.456 nan 8.150 nan 0.000 0.476 187 L N -1.467 119.698 121.223 -0.095 0.000 2.586 187 L HA 0.160 4.499 4.340 -0.001 0.000 0.204 187 L C -0.386 176.583 176.870 0.165 0.000 1.053 187 L CA -0.347 54.420 54.840 -0.122 0.000 0.856 187 L CB -0.284 41.656 42.059 -0.198 0.000 1.192 187 L HN 0.023 nan 8.230 nan 0.000 0.484 188 D N 2.345 122.876 120.400 0.219 0.000 2.662 188 D HA 0.046 4.686 4.640 -0.001 0.000 0.237 188 D C -0.193 176.317 176.300 0.350 0.000 1.154 188 D CA 1.007 55.166 54.000 0.265 0.000 0.861 188 D CB 0.493 41.446 40.800 0.254 0.000 1.146 188 D HN 0.058 nan 8.370 nan 0.000 0.518 189 T N 1.559 116.280 114.554 0.279 0.000 2.928 189 T HA 0.326 4.676 4.350 -0.001 0.000 0.296 189 T C 0.168 174.966 174.700 0.162 0.000 1.000 189 T CA -0.739 61.515 62.100 0.257 0.000 0.989 189 T CB 1.612 70.673 68.868 0.322 0.000 1.005 189 T HN -0.018 nan 8.240 nan 0.000 0.442 190 V N 2.530 122.514 119.914 0.116 0.000 2.811 190 V HA 0.694 4.813 4.120 -0.001 0.000 0.302 190 V C 0.961 177.083 176.094 0.046 0.000 1.063 190 V CA 0.054 62.403 62.300 0.082 0.000 1.088 190 V CB 1.221 33.079 31.823 0.058 0.000 0.982 190 V HN 1.093 nan 8.190 nan 0.000 0.485 191 G N 2.953 111.763 108.800 0.017 0.000 2.725 191 G HA2 0.725 4.685 3.960 -0.001 0.000 0.288 191 G HA3 0.725 4.685 3.960 -0.001 0.000 0.288 191 G C -1.916 172.910 174.900 -0.123 0.000 1.399 191 G CA -0.725 44.327 45.100 -0.081 0.000 0.859 191 G HN 0.461 nan 8.290 nan 0.000 0.479 192 L N -0.636 120.442 121.223 -0.242 0.000 2.370 192 L HA 0.721 5.061 4.340 -0.001 0.000 0.266 192 L C -1.121 175.525 176.870 -0.375 0.000 1.002 192 L CA -0.507 54.223 54.840 -0.182 0.000 0.818 192 L CB 2.047 44.037 42.059 -0.116 0.000 1.325 192 L HN 0.427 nan 8.230 nan 0.000 0.418 193 F N 0.215 120.144 119.950 -0.034 0.000 2.520 193 F HA 0.850 5.377 4.527 -0.000 0.000 0.322 193 F C 0.654 176.429 175.800 -0.042 0.000 1.103 193 F CA -0.563 57.417 58.000 -0.033 0.000 0.926 193 F CB 2.269 41.251 39.000 -0.029 0.000 1.154 193 F HN 0.474 nan 8.300 nan 0.000 0.453 194 G N 0.159 109.030 108.800 0.118 0.000 2.645 194 G HA2 0.540 4.500 3.960 -0.001 0.000 0.292 194 G HA3 0.540 4.500 3.960 -0.001 0.000 0.292 194 G C -0.081 174.832 174.900 0.021 0.000 1.415 194 G CA -0.215 44.910 45.100 0.041 0.000 0.785 194 G HN 0.798 nan 8.290 nan 0.000 0.483 195 A N -0.304 122.508 122.820 -0.014 0.000 1.835 195 A HA 0.259 4.578 4.320 -0.001 0.000 0.215 195 A C 1.451 179.005 177.584 -0.051 0.000 1.199 195 A CA 1.143 53.166 52.037 -0.023 0.000 0.615 195 A CB -0.268 18.708 19.000 -0.040 0.000 0.838 195 A HN 0.621 nan 8.150 nan 0.000 0.444 196 R N -3.472 116.964 120.500 -0.108 0.000 2.939 196 R HA 0.604 4.944 4.340 -0.001 0.000 0.254 196 R C 1.143 177.321 176.300 -0.202 0.000 1.123 196 R CA -0.130 55.872 56.100 -0.164 0.000 1.020 196 R CB 1.125 31.277 30.300 -0.247 0.000 1.206 196 R HN 0.236 nan 8.270 nan 0.000 0.491 197 A N 0.697 123.381 122.820 -0.227 0.000 1.940 197 A HA -0.235 4.085 4.320 -0.001 0.000 0.219 197 A C 1.946 179.371 177.584 -0.265 0.000 1.176 197 A CA 2.068 53.996 52.037 -0.182 0.000 0.631 197 A CB -0.572 18.382 19.000 -0.077 0.000 0.814 197 A HN 0.897 nan 8.150 nan 0.000 0.446 198 E N -0.024 119.835 120.200 -0.569 0.000 2.110 198 E HA -0.242 4.108 4.350 -0.001 0.000 0.193 198 E C 1.059 177.480 176.600 -0.297 0.000 0.988 198 E CA 1.408 57.435 56.400 -0.622 0.000 0.804 198 E CB -0.207 28.797 29.700 -1.160 0.000 0.745 198 E HN 0.608 nan 8.360 nan 0.000 0.458 199 D N 0.609 120.859 120.400 -0.250 0.000 2.219 199 D HA -0.138 4.502 4.640 -0.001 0.000 0.205 199 D C 2.144 178.371 176.300 -0.122 0.000 0.970 199 D CA 0.725 54.635 54.000 -0.151 0.000 0.851 199 D CB -0.035 40.693 40.800 -0.120 0.000 0.943 199 D HN 0.336 nan 8.370 nan 0.000 0.488 200 L N 0.931 122.075 121.223 -0.131 0.000 2.027 200 L HA -0.113 4.227 4.340 -0.001 0.000 0.206 200 L C 2.733 179.511 176.870 -0.153 0.000 1.074 200 L CA 0.996 55.758 54.840 -0.130 0.000 0.745 200 L CB -0.553 41.435 42.059 -0.118 0.000 0.898 200 L HN -0.039 nan 8.230 nan 0.000 0.433 201 A N 0.257 123.020 122.820 -0.095 0.000 1.873 201 A HA -0.231 4.089 4.320 -0.001 0.000 0.218 201 A C 2.394 179.936 177.584 -0.071 0.000 1.193 201 A CA 1.645 53.663 52.037 -0.031 0.000 0.629 201 A CB -0.552 18.515 19.000 0.113 0.000 0.826 201 A HN 0.289 nan 8.150 nan 0.000 0.447 202 R N -0.841 119.630 120.500 -0.049 0.000 2.105 202 R HA -0.131 4.209 4.340 -0.001 0.000 0.239 202 R C 2.355 178.611 176.300 -0.075 0.000 1.135 202 R CA 1.318 57.396 56.100 -0.036 0.000 0.967 202 R CB -1.142 29.138 30.300 -0.034 0.000 0.861 202 R HN 0.573 nan 8.270 nan 0.000 0.442 203 G N 1.100 109.833 108.800 -0.112 0.000 2.402 203 G HA2 -0.187 3.773 3.960 -0.001 0.000 0.216 203 G HA3 -0.187 3.773 3.960 -0.001 0.000 0.216 203 G C 1.603 176.395 174.900 -0.181 0.000 1.162 203 G CA 0.221 45.249 45.100 -0.119 0.000 0.777 203 G HN 0.164 nan 8.290 nan 0.000 0.539 204 L N -0.337 120.687 121.223 -0.332 0.000 2.109 204 L HA 0.038 4.378 4.340 -0.001 0.000 0.207 204 L C 2.659 179.297 176.870 -0.387 0.000 1.086 204 L CA 0.287 54.794 54.840 -0.555 0.000 0.760 204 L CB -0.369 40.925 42.059 -1.276 0.000 0.910 204 L HN 0.222 nan 8.230 nan 0.000 0.437 205 L N 0.454 121.551 121.223 -0.209 0.000 1.989 205 L HA -0.178 4.162 4.340 -0.001 0.000 0.211 205 L C 2.638 179.524 176.870 0.026 0.000 1.071 205 L CA 2.173 57.045 54.840 0.054 0.000 0.749 205 L CB -0.776 41.352 42.059 0.114 0.000 0.890 205 L HN 0.145 nan 8.230 nan 0.000 0.431 206 A N -0.902 121.910 122.820 -0.013 0.000 1.933 206 A HA -0.224 4.095 4.320 -0.001 0.000 0.218 206 A C 2.272 179.851 177.584 -0.009 0.000 1.175 206 A CA 2.202 54.236 52.037 -0.005 0.000 0.628 206 A CB -0.546 18.445 19.000 -0.014 0.000 0.814 206 A HN 0.572 nan 8.150 nan 0.000 0.444 207 M N -0.652 118.926 119.600 -0.035 0.000 2.123 207 M HA -0.095 4.385 4.480 -0.001 0.000 0.263 207 M C 2.372 178.669 176.300 -0.004 0.000 1.069 207 M CA 1.980 57.263 55.300 -0.029 0.000 1.133 207 M CB -0.319 32.246 32.600 -0.058 0.000 1.356 207 M HN 0.662 nan 8.290 nan 0.000 0.415 208 T N -3.754 110.804 114.554 0.007 0.000 3.044 208 T HA 0.271 4.621 4.350 -0.001 0.000 0.255 208 T C 1.520 176.268 174.700 0.080 0.000 1.073 208 T CA 0.679 62.813 62.100 0.058 0.000 1.125 208 T CB 0.018 68.958 68.868 0.121 0.000 0.908 208 T HN 0.570 nan 8.240 nan 0.000 0.480 209 G N 2.334 111.187 108.800 0.089 0.000 2.153 209 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.252 209 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.252 209 G C 0.036 174.993 174.900 0.095 0.000 0.994 209 G CA -0.057 45.090 45.100 0.080 0.000 0.698 209 G HN 0.712 nan 8.290 nan 0.000 0.521 210 R N 0.612 121.209 120.500 0.161 0.000 2.234 210 R HA 0.429 4.769 4.340 -0.001 0.000 0.324 210 R C 1.900 178.239 176.300 0.066 0.000 1.054 210 R CA 0.289 56.454 56.100 0.107 0.000 0.912 210 R CB 0.948 31.325 30.300 0.127 0.000 1.030 210 R HN 0.429 nan 8.270 nan 0.000 0.455 211 S N 2.480 118.179 115.700 -0.001 0.000 2.419 211 S HA -0.249 4.221 4.470 -0.001 0.000 0.235 211 S C 1.552 176.111 174.600 -0.068 0.000 1.019 211 S CA 1.502 59.694 58.200 -0.012 0.000 0.982 211 S CB -0.248 62.939 63.200 -0.021 0.000 0.789 211 S HN 0.796 nan 8.310 nan 0.000 0.490 212 E N 0.704 120.782 120.200 -0.203 0.000 2.209 212 E HA -0.171 4.178 4.350 -0.001 0.000 0.196 212 E C 1.256 177.657 176.600 -0.331 0.000 0.993 212 E CA 1.145 57.345 56.400 -0.332 0.000 0.819 212 E CB -0.733 28.640 29.700 -0.545 0.000 0.745 212 E HN 0.739 nan 8.360 nan 0.000 0.477 213 F N 1.235 121.193 119.950 0.013 0.000 2.776 213 F HA 0.162 4.689 4.527 -0.001 0.000 0.300 213 F C 1.267 177.090 175.800 0.038 0.000 1.116 213 F CA -0.293 57.722 58.000 0.026 0.000 1.375 213 F CB 0.714 39.722 39.000 0.014 0.000 1.109 213 F HN -0.113 nan 8.300 nan 0.000 0.585 214 S N -0.071 115.720 115.700 0.151 0.000 2.537 214 S HA 0.459 4.928 4.470 -0.001 0.000 0.275 214 S C 0.879 175.533 174.600 0.089 0.000 1.272 214 S CA 0.196 58.463 58.200 0.113 0.000 1.050 214 S CB 0.735 63.979 63.200 0.074 0.000 0.961 214 S HN 0.629 nan 8.310 nan 0.000 0.496 215 G N 4.282 113.142 108.800 0.100 0.000 2.198 215 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.260 215 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.260 215 G C 0.113 175.072 174.900 0.098 0.000 1.025 215 G CA 0.279 45.431 45.100 0.086 0.000 0.769 215 G HN 0.744 nan 8.290 nan 0.000 0.507 216 I N -0.567 120.100 120.570 0.162 0.000 2.696 216 I HA 0.408 4.578 4.170 -0.001 0.000 0.284 216 I C 0.766 176.987 176.117 0.174 0.000 1.129 216 I CA -0.021 61.391 61.300 0.187 0.000 1.410 216 I CB 1.220 39.388 38.000 0.280 0.000 1.399 216 I HN -0.022 nan 8.210 nan 0.000 0.579 217 V N 6.142 126.049 119.914 -0.011 0.000 3.147 217 V HA 0.349 4.469 4.120 -0.001 0.000 0.306 217 V C -2.362 173.452 176.094 -0.466 0.000 1.209 217 V CA -1.635 60.422 62.300 -0.406 0.000 1.023 217 V CB 2.484 34.146 31.823 -0.269 0.000 1.059 217 V HN 0.570 nan 8.190 nan 0.000 0.435 218 P HA 0.198 nan 4.420 nan 0.000 0.266 218 P C -0.674 176.533 177.300 -0.156 0.000 1.193 218 P CA 0.331 63.135 63.100 -0.494 0.000 0.770 218 P CB 0.367 31.693 31.700 -0.624 0.000 0.836 219 A N 3.205 126.015 122.820 -0.016 0.000 2.287 219 A HA 0.436 4.756 4.320 -0.001 0.000 0.273 219 A C -0.011 177.504 177.584 -0.114 0.000 1.091 219 A CA -0.080 51.919 52.037 -0.064 0.000 0.817 219 A CB 0.267 19.200 19.000 -0.112 0.000 1.069 219 A HN 0.334 nan 8.150 nan 0.000 0.492 220 K N 0.495 120.804 120.400 -0.152 0.000 2.292 220 K HA 0.562 4.882 4.320 -0.001 0.000 0.257 220 K C 0.009 176.465 176.600 -0.240 0.000 0.940 220 K CA 0.100 56.304 56.287 -0.139 0.000 0.811 220 K CB 1.326 33.789 32.500 -0.062 0.000 1.120 220 K HN 1.561 nan 8.250 nan 0.000 0.428 221 A N 3.431 126.092 122.820 -0.264 0.000 2.049 221 A HA -0.159 4.161 4.320 -0.001 0.000 0.263 221 A C -2.132 175.290 177.584 -0.270 0.000 1.316 221 A CA -0.229 51.670 52.037 -0.230 0.000 0.759 221 A CB -1.795 17.155 19.000 -0.082 0.000 1.141 221 A HN 0.384 nan 8.150 nan 0.000 0.325 222 P HA 0.309 nan 4.420 nan 0.000 0.272 222 P C 0.284 177.503 177.300 -0.134 0.000 1.230 222 P CA -0.250 62.689 63.100 -0.268 0.000 0.788 222 P CB 0.485 31.950 31.700 -0.392 0.000 0.949 223 R N 2.191 122.663 120.500 -0.046 0.000 2.287 223 R HA 0.366 4.705 4.340 -0.001 0.000 0.327 223 R C -0.302 175.995 176.300 -0.004 0.000 1.109 223 R CA -0.253 55.835 56.100 -0.020 0.000 1.013 223 R CB -0.433 29.867 30.300 0.000 0.000 1.126 223 R HN 0.485 nan 8.270 nan 0.000 0.503 224 I N 1.597 122.155 120.570 -0.020 0.000 2.385 224 I HA 0.329 4.499 4.170 -0.001 0.000 0.294 224 I C 0.832 176.931 176.117 -0.030 0.000 0.988 224 I CA -0.543 60.746 61.300 -0.018 0.000 1.265 224 I CB 1.943 39.936 38.000 -0.012 0.000 1.388 224 I HN 0.568 nan 8.210 nan 0.000 0.480 225 G N 5.505 114.275 108.800 -0.049 0.000 2.533 225 G HA2 0.522 4.481 3.960 -0.001 0.000 0.310 225 G HA3 0.522 4.481 3.960 -0.001 0.000 0.310 225 G C -0.797 174.055 174.900 -0.080 0.000 1.266 225 G CA -0.306 44.752 45.100 -0.069 0.000 0.967 225 G HN 0.338 nan 8.290 nan 0.000 0.493 226 V N 3.120 122.992 119.914 -0.071 0.000 2.461 226 V HA 0.441 4.561 4.120 -0.001 0.000 0.275 226 V C 0.441 176.487 176.094 -0.080 0.000 1.047 226 V CA -0.395 61.850 62.300 -0.091 0.000 0.955 226 V CB 1.094 32.862 31.823 -0.092 0.000 0.988 226 V HN 0.742 nan 8.190 nan 0.000 0.471 227 V N 3.441 123.302 119.914 -0.089 0.000 2.531 227 V HA 0.606 4.725 4.120 -0.001 0.000 0.301 227 V C 0.312 176.340 176.094 -0.110 0.000 1.034 227 V CA -0.800 61.479 62.300 -0.035 0.000 0.865 227 V CB 1.694 33.572 31.823 0.091 0.000 0.995 227 V HN 0.738 nan 8.190 nan 0.000 0.424 228 R N 1.498 121.930 120.500 -0.114 0.000 2.427 228 R HA 0.280 4.620 4.340 -0.001 0.000 0.262 228 R C 0.078 176.345 176.300 -0.055 0.000 0.943 228 R CA -0.087 55.941 56.100 -0.120 0.000 1.081 228 R CB 0.149 30.430 30.300 -0.033 0.000 1.166 228 R HN 0.953 nan 8.270 nan 0.000 0.534 229 Q N 0.521 120.165 119.800 -0.260 0.000 2.431 229 Q HA -0.236 4.103 4.340 -0.001 0.000 0.344 229 Q C -0.073 175.274 176.000 -1.087 0.000 1.384 229 Q CA 0.490 55.716 55.803 -0.961 0.000 0.984 229 Q CB -0.793 27.594 28.738 -0.585 0.000 1.204 229 Q HN 0.315 nan 8.270 nan 0.000 0.392 230 E N -0.125 119.656 120.200 -0.697 0.000 2.171 230 E HA -0.209 4.141 4.350 -0.001 0.000 0.197 230 E C 1.250 177.538 176.600 -0.521 0.000 0.997 230 E CA 1.974 58.127 56.400 -0.410 0.000 0.810 230 E CB -0.391 29.209 29.700 -0.166 0.000 0.738 230 E HN 0.793 nan 8.360 nan 0.000 0.467 231 F N -0.537 119.131 119.950 -0.469 0.000 2.307 231 F HA -0.025 4.503 4.527 0.001 0.000 0.301 231 F C 1.844 177.072 175.800 -0.952 0.000 1.076 231 F CA 0.735 58.367 58.000 -0.613 0.000 1.383 231 F CB -0.604 37.953 39.000 -0.739 0.000 1.055 231 F HN -0.013 nan 8.300 nan 0.000 0.526 232 A N 0.512 122.627 122.820 -1.175 0.000 2.337 232 A HA 0.562 4.881 4.320 -0.001 0.000 0.227 232 A C 1.328 178.631 177.584 -0.468 0.000 1.259 232 A CA 0.353 51.785 52.037 -1.010 0.000 0.870 232 A CB -1.334 16.948 19.000 -1.196 0.000 0.927 232 A HN 0.949 nan 8.150 nan 0.000 0.497 233 G N -1.279 107.343 108.800 -0.296 0.000 2.829 233 G HA2 0.302 4.262 3.960 -0.001 0.000 0.628 233 G HA3 0.302 4.262 3.960 -0.001 0.000 0.628 233 G C 0.185 175.086 174.900 0.001 0.000 1.412 233 G CA -0.379 44.661 45.100 -0.100 0.000 0.864 233 G HN 1.681 nan 8.290 nan 0.000 0.544 234 A N -0.570 122.259 122.820 0.014 0.000 2.386 234 A HA 0.703 5.023 4.320 -0.001 0.000 0.248 234 A C 0.997 178.585 177.584 0.007 0.000 1.082 234 A CA 0.668 52.709 52.037 0.007 0.000 0.789 234 A CB 1.195 20.188 19.000 -0.012 0.000 1.025 234 A HN 2.221 nan 8.150 nan 0.000 0.490 235 V N 1.032 120.837 119.914 -0.182 0.000 3.369 235 V HA 0.288 4.408 4.120 -0.001 0.000 0.309 235 V C 0.491 176.447 176.094 -0.231 0.000 1.069 235 V CA -0.545 61.528 62.300 -0.379 0.000 1.042 235 V CB 1.390 32.541 31.823 -1.120 0.000 1.192 235 V HN 1.028 nan 8.190 nan 0.000 0.447 236 E N 2.496 122.566 120.200 -0.218 0.000 2.343 236 E HA 0.240 4.590 4.350 -0.001 0.000 0.269 236 E C -1.829 174.697 176.600 -0.124 0.000 1.047 236 E CA -1.325 55.005 56.400 -0.118 0.000 0.874 236 E CB 1.197 30.855 29.700 -0.071 0.000 1.033 236 E HN 0.479 nan 8.360 nan 0.000 0.409 237 P HA -0.342 nan 4.420 nan 0.000 0.217 237 P C 0.978 178.251 177.300 -0.045 0.000 1.162 237 P CA 2.137 65.208 63.100 -0.048 0.000 0.901 237 P CB 0.098 31.780 31.700 -0.030 0.000 0.793 238 A N -0.501 122.292 122.820 -0.045 0.000 1.948 238 A HA -0.229 4.090 4.320 -0.001 0.000 0.220 238 A C 2.328 179.893 177.584 -0.031 0.000 1.177 238 A CA 2.526 54.541 52.037 -0.036 0.000 0.636 238 A CB -1.651 17.326 19.000 -0.038 0.000 0.815 238 A HN 0.246 nan 8.150 nan 0.000 0.449 239 A N -0.601 122.177 122.820 -0.071 0.000 1.930 239 A HA -0.070 4.250 4.320 -0.001 0.000 0.217 239 A C 1.976 179.589 177.584 0.049 0.000 1.175 239 A CA 2.001 53.994 52.037 -0.074 0.000 0.627 239 A CB -0.380 18.435 19.000 -0.308 0.000 0.815 239 A HN 0.562 nan 8.150 nan 0.000 0.443 240 E N 0.176 120.388 120.200 0.019 0.000 2.152 240 E HA -0.151 4.199 4.350 -0.001 0.000 0.192 240 E C 2.023 178.670 176.600 0.078 0.000 0.983 240 E CA 1.497 57.982 56.400 0.142 0.000 0.818 240 E CB -0.359 29.383 29.700 0.070 0.000 0.758 240 E HN 0.695 nan 8.360 nan 0.000 0.467 241 Q N -0.574 119.244 119.800 0.030 0.000 2.124 241 Q HA -0.064 4.275 4.340 -0.001 0.000 0.202 241 Q C 2.145 178.155 176.000 0.016 0.000 0.977 241 Q CA 1.373 57.184 55.803 0.014 0.000 0.850 241 Q CB -0.289 28.448 28.738 -0.002 0.000 0.901 241 Q HN 0.450 nan 8.270 nan 0.000 0.429 242 G N 0.541 109.357 108.800 0.026 0.000 2.421 242 G HA2 -0.191 3.769 3.960 -0.001 0.000 0.217 242 G HA3 -0.191 3.769 3.960 -0.001 0.000 0.217 242 G C 1.331 176.244 174.900 0.023 0.000 1.143 242 G CA 0.294 45.406 45.100 0.021 0.000 0.784 242 G HN 0.212 nan 8.290 nan 0.000 0.541 243 L N 0.284 121.535 121.223 0.047 0.000 2.044 243 L HA 0.103 4.442 4.340 -0.001 0.000 0.205 243 L C 2.773 179.631 176.870 -0.020 0.000 1.075 243 L CA 1.774 56.610 54.840 -0.006 0.000 0.747 243 L CB -0.646 41.389 42.059 -0.041 0.000 0.903 243 L HN 0.248 nan 8.230 nan 0.000 0.435 244 Q N -0.681 119.119 119.800 0.001 0.000 2.170 244 Q HA -0.153 4.187 4.340 -0.001 0.000 0.203 244 Q C 2.148 178.143 176.000 -0.008 0.000 0.976 244 Q CA 1.492 57.291 55.803 -0.006 0.000 0.858 244 Q CB -0.286 28.453 28.738 0.003 0.000 0.907 244 Q HN 0.692 nan 8.270 nan 0.000 0.433 245 A N 0.467 123.283 122.820 -0.007 0.000 2.014 245 A HA 0.008 4.328 4.320 -0.001 0.000 0.218 245 A C 2.133 179.708 177.584 -0.015 0.000 1.163 245 A CA 1.286 53.316 52.037 -0.011 0.000 0.652 245 A CB -0.365 18.628 19.000 -0.012 0.000 0.808 245 A HN 0.381 nan 8.150 nan 0.000 0.449 246 A N 0.003 122.814 122.820 -0.016 0.000 1.898 246 A HA 0.085 4.405 4.320 -0.001 0.000 0.214 246 A C 2.049 179.630 177.584 -0.005 0.000 1.183 246 A CA 1.120 53.148 52.037 -0.016 0.000 0.622 246 A CB -0.481 18.508 19.000 -0.018 0.000 0.824 246 A HN 0.432 nan 8.150 nan 0.000 0.444 247 I N -0.184 120.380 120.570 -0.010 0.000 2.163 247 I HA -0.295 3.874 4.170 -0.001 0.000 0.243 247 I C 2.574 178.696 176.117 0.009 0.000 1.085 247 I CA 1.973 63.273 61.300 -0.001 0.000 1.347 247 I CB -0.249 37.741 38.000 -0.016 0.000 1.044 247 I HN 0.385 nan 8.210 nan 0.000 0.408 248 K N 1.294 121.694 120.400 -0.000 0.000 2.063 248 K HA -0.209 4.110 4.320 -0.001 0.000 0.208 248 K C 2.181 178.781 176.600 -0.001 0.000 1.048 248 K CA 1.649 57.936 56.287 0.000 0.000 0.928 248 K CB -0.131 32.365 32.500 -0.005 0.000 0.713 248 K HN 0.304 nan 8.250 nan 0.000 0.442 249 A N 0.799 123.612 122.820 -0.013 0.000 1.930 249 A HA -0.058 4.262 4.320 -0.001 0.000 0.217 249 A C 2.256 179.819 177.584 -0.035 0.000 1.175 249 A CA 1.734 53.749 52.037 -0.036 0.000 0.627 249 A CB -0.618 18.348 19.000 -0.057 0.000 0.815 249 A HN 0.497 nan 8.150 nan 0.000 0.443 250 A N -0.223 122.608 122.820 0.019 0.000 1.872 250 A HA -0.099 4.221 4.320 -0.001 0.000 0.214 250 A C 1.916 179.599 177.584 0.163 0.000 1.187 250 A CA 1.456 53.576 52.037 0.139 0.000 0.614 250 A CB -0.503 18.630 19.000 0.223 0.000 0.826 250 A HN 0.591 nan 8.150 nan 0.000 0.442 251 E N -0.588 119.665 120.200 0.089 0.000 2.023 251 E HA -0.225 4.125 4.350 -0.001 0.000 0.196 251 E C 2.243 178.881 176.600 0.062 0.000 1.003 251 E CA 1.279 57.719 56.400 0.068 0.000 0.809 251 E CB -0.208 29.513 29.700 0.035 0.000 0.755 251 E HN 0.473 nan 8.360 nan 0.000 0.449 252 R N -0.077 120.445 120.500 0.036 0.000 2.303 252 R HA -0.099 4.240 4.340 -0.001 0.000 0.225 252 R C 1.553 177.870 176.300 0.029 0.000 1.114 252 R CA 0.856 56.969 56.100 0.022 0.000 1.007 252 R CB 0.013 30.314 30.300 0.002 0.000 0.861 252 R HN 0.096 nan 8.270 nan 0.000 0.471 253 A N -1.334 121.520 122.820 0.056 0.000 2.308 253 A HA 0.302 4.621 4.320 -0.001 0.000 0.217 253 A C 1.189 178.898 177.584 0.208 0.000 1.216 253 A CA 0.587 52.669 52.037 0.075 0.000 0.864 253 A CB 0.487 19.440 19.000 -0.078 0.000 0.902 253 A HN 0.413 nan 8.150 nan 0.000 0.499 254 G N -1.931 106.970 108.800 0.168 0.000 2.201 254 G HA2 0.154 4.114 3.960 -0.001 0.000 0.212 254 G HA3 0.154 4.114 3.960 -0.001 0.000 0.212 254 G C 0.455 175.413 174.900 0.098 0.000 0.994 254 G CA 0.058 45.236 45.100 0.129 0.000 0.644 254 G HN 1.469 nan 8.290 nan 0.000 0.508 255 A N 0.373 123.288 122.820 0.159 0.000 2.322 255 A HA 0.758 5.078 4.320 -0.001 0.000 0.269 255 A C 0.786 178.389 177.584 0.032 0.000 1.094 255 A CA 0.809 52.873 52.037 0.045 0.000 0.807 255 A CB 0.612 19.671 19.000 0.098 0.000 1.047 255 A HN 1.804 nan 8.150 nan 0.000 0.487 256 S N 0.747 116.444 115.700 -0.006 0.000 2.438 256 S HA 0.575 5.044 4.470 -0.001 0.000 0.316 256 S C -0.625 173.973 174.600 -0.004 0.000 1.084 256 S CA -0.617 57.582 58.200 -0.002 0.000 1.107 256 S CB 0.822 64.015 63.200 -0.011 0.000 0.981 256 S HN 0.645 nan 8.310 nan 0.000 0.466 257 V N 4.566 124.481 119.914 0.002 0.000 2.417 257 V HA 0.556 4.675 4.120 -0.001 0.000 0.291 257 V C -0.254 175.833 176.094 -0.012 0.000 1.024 257 V CA -0.638 61.658 62.300 -0.005 0.000 0.861 257 V CB 1.169 32.992 31.823 -0.000 0.000 0.985 257 V HN 1.006 nan 8.190 nan 0.000 0.436 258 Q N 3.674 123.462 119.800 -0.020 0.000 2.323 258 Q HA 0.840 5.180 4.340 -0.001 0.000 0.271 258 Q C -0.646 175.338 176.000 -0.028 0.000 1.048 258 Q CA -0.791 55.000 55.803 -0.020 0.000 0.792 258 Q CB 2.285 31.013 28.738 -0.018 0.000 1.280 258 Q HN 0.763 nan 8.270 nan 0.000 0.441 259 A N 4.084 126.889 122.820 -0.024 0.000 2.462 259 A HA 0.576 4.895 4.320 -0.001 0.000 0.243 259 A C -0.389 177.184 177.584 -0.019 0.000 1.076 259 A CA -0.116 51.905 52.037 -0.027 0.000 0.773 259 A CB 0.166 19.153 19.000 -0.021 0.000 1.010 259 A HN 0.760 nan 8.150 nan 0.000 0.493 260 I N 0.954 121.514 120.570 -0.016 0.000 2.865 260 I HA 0.288 4.458 4.170 -0.001 0.000 0.302 260 I C -0.936 175.200 176.117 0.031 0.000 1.140 260 I CA -0.819 60.479 61.300 -0.002 0.000 1.021 260 I CB 2.402 40.389 38.000 -0.021 0.000 1.233 260 I HN 0.566 nan 8.210 nan 0.000 0.427 261 D N 4.485 124.915 120.400 0.051 0.000 2.163 261 D HA 0.499 5.139 4.640 -0.001 0.000 0.248 261 D C -0.651 175.736 176.300 0.145 0.000 1.035 261 D CA -0.285 53.779 54.000 0.107 0.000 0.872 261 D CB 2.322 43.172 40.800 0.084 0.000 1.183 261 D HN 0.212 nan 8.370 nan 0.000 0.445 262 L N 3.075 124.471 121.223 0.288 0.000 2.312 262 L HA 0.299 4.639 4.340 -0.001 0.000 0.281 262 L C -2.116 174.900 176.870 0.243 0.000 1.070 262 L CA -1.763 53.258 54.840 0.302 0.000 0.805 262 L CB 1.060 43.355 42.059 0.392 0.000 1.174 262 L HN 0.047 nan 8.230 nan 0.000 0.434 263 P HA -0.092 nan 4.420 nan 0.000 0.263 263 P C 0.378 177.604 177.300 -0.123 0.000 1.175 263 P CA 0.133 63.224 63.100 -0.016 0.000 0.761 263 P CB 0.617 32.321 31.700 0.007 0.000 0.794 264 E N 4.243 124.285 120.200 -0.262 0.000 2.147 264 E HA -0.274 4.076 4.350 -0.001 0.000 0.199 264 E C 1.804 178.305 176.600 -0.165 0.000 1.005 264 E CA 2.235 58.423 56.400 -0.354 0.000 0.810 264 E CB -0.834 28.730 29.700 -0.227 0.000 0.736 264 E HN 0.463 nan 8.360 nan 0.000 0.460 265 A N -0.231 122.532 122.820 -0.095 0.000 1.933 265 A HA -0.135 4.185 4.320 -0.001 0.000 0.218 265 A C 2.480 180.027 177.584 -0.062 0.000 1.175 265 A CA 1.615 53.613 52.037 -0.065 0.000 0.628 265 A CB -0.558 18.414 19.000 -0.047 0.000 0.814 265 A HN 0.208 nan 8.150 nan 0.000 0.444 266 V N -0.424 119.468 119.914 -0.036 0.000 2.453 266 V HA -0.239 3.881 4.120 -0.001 0.000 0.247 266 V C 2.230 178.195 176.094 -0.216 0.000 1.048 266 V CA 1.906 64.159 62.300 -0.078 0.000 1.049 266 V CB -1.169 30.651 31.823 -0.004 0.000 0.672 266 V HN 0.704 nan 8.190 nan 0.000 0.457 267 H N -0.291 118.533 119.070 -0.409 0.000 2.352 267 H HA -0.137 4.419 4.556 -0.000 0.000 0.299 267 H C 2.406 177.531 175.328 -0.337 0.000 1.097 267 H CA 1.360 57.025 56.048 -0.639 0.000 1.311 267 H CB 0.191 29.777 29.762 -0.292 0.000 1.377 267 H HN 0.384 nan 8.280 nan 0.000 0.504 268 E N 0.820 120.991 120.200 -0.048 0.000 2.153 268 E HA -0.095 4.255 4.350 -0.001 0.000 0.194 268 E C 2.425 178.982 176.600 -0.072 0.000 0.988 268 E CA 0.737 57.115 56.400 -0.037 0.000 0.811 268 E CB -0.155 29.517 29.700 -0.047 0.000 0.746 268 E HN 0.442 nan 8.360 nan 0.000 0.466 269 A N 0.480 123.231 122.820 -0.115 0.000 1.877 269 A HA -0.180 4.139 4.320 -0.001 0.000 0.216 269 A C 2.059 179.567 177.584 -0.125 0.000 1.186 269 A CA 1.414 53.372 52.037 -0.131 0.000 0.620 269 A CB -1.155 17.756 19.000 -0.147 0.000 0.822 269 A HN 0.460 nan 8.150 nan 0.000 0.443 270 W N 0.733 121.803 121.300 -0.385 0.000 2.338 270 W HA -0.219 4.441 4.660 -0.001 0.000 0.304 270 W C 2.353 178.757 176.519 -0.192 0.000 1.212 270 W CA 2.127 59.256 57.345 -0.360 0.000 1.264 270 W CB -0.160 28.934 29.460 -0.611 0.000 1.142 270 W HN 0.308 nan 8.180 nan 0.000 0.512 271 R N 0.705 121.195 120.500 -0.018 0.000 2.081 271 R HA -0.176 4.164 4.340 -0.001 0.000 0.235 271 R C 1.842 177.994 176.300 -0.246 0.000 1.131 271 R CA 2.252 58.262 56.100 -0.150 0.000 0.960 271 R CB -0.692 29.655 30.300 0.078 0.000 0.856 271 R HN 0.414 nan 8.270 nan 0.000 0.436 272 I N -1.586 118.877 120.570 -0.177 0.000 3.812 272 I HA 0.031 4.201 4.170 -0.001 0.000 0.320 272 I C 1.886 177.892 176.117 -0.186 0.000 1.276 272 I CA 0.428 61.628 61.300 -0.167 0.000 1.164 272 I CB -0.528 37.386 38.000 -0.143 0.000 1.009 272 I HN 0.117 nan 8.210 nan 0.000 0.431 273 H N 3.024 121.900 119.070 -0.322 0.000 2.319 273 H HA -0.046 4.510 4.556 -0.000 0.000 0.299 273 H C -0.752 174.414 175.328 -0.271 0.000 1.092 273 H CA 2.359 58.220 56.048 -0.311 0.000 1.302 273 H CB -1.119 28.414 29.762 -0.383 0.000 1.373 273 H HN 0.216 nan 8.280 nan 0.000 0.497 274 P HA -0.134 nan 4.420 nan 0.000 0.218 274 P C 1.852 179.064 177.300 -0.146 0.000 1.148 274 P CA 1.011 64.028 63.100 -0.138 0.000 0.822 274 P CB 0.014 31.637 31.700 -0.129 0.000 0.784 275 I N -1.208 119.283 120.570 -0.132 0.000 2.202 275 I HA -0.163 4.007 4.170 -0.001 0.000 0.242 275 I C 2.323 178.434 176.117 -0.010 0.000 1.091 275 I CA 1.393 62.658 61.300 -0.057 0.000 1.368 275 I CB -1.269 36.691 38.000 -0.068 0.000 1.058 275 I HN -0.026 nan 8.210 nan 0.000 0.410 276 I N 0.384 120.890 120.570 -0.107 0.000 2.142 276 I HA -0.343 3.827 4.170 -0.001 0.000 0.240 276 I C 2.742 178.758 176.117 -0.168 0.000 1.078 276 I CA 1.368 62.635 61.300 -0.056 0.000 1.343 276 I CB -0.439 37.417 38.000 -0.241 0.000 1.046 276 I HN 0.351 nan 8.210 nan 0.000 0.405 277 Q N 1.020 120.593 119.800 -0.378 0.000 2.014 277 Q HA -0.275 4.064 4.340 -0.001 0.000 0.207 277 Q C 1.694 177.521 176.000 -0.289 0.000 0.993 277 Q CA 2.301 57.830 55.803 -0.457 0.000 0.850 277 Q CB -0.027 28.364 28.738 -0.579 0.000 0.916 277 Q HN 0.454 nan 8.270 nan 0.000 0.417 278 D N -0.405 119.903 120.400 -0.153 0.000 2.224 278 D HA -0.108 4.531 4.640 -0.001 0.000 0.205 278 D C 1.564 177.858 176.300 -0.009 0.000 0.965 278 D CA 0.560 54.529 54.000 -0.050 0.000 0.852 278 D CB -0.257 40.545 40.800 0.003 0.000 0.947 278 D HN 0.262 nan 8.370 nan 0.000 0.494 279 F N 2.066 121.926 119.950 -0.150 0.000 2.098 279 F HA -0.090 4.437 4.527 0.001 0.000 0.294 279 F C 2.138 177.767 175.800 -0.285 0.000 1.107 279 F CA 1.325 59.202 58.000 -0.204 0.000 1.234 279 F CB 0.036 38.855 39.000 -0.303 0.000 1.002 279 F HN -0.164 nan 8.300 nan 0.000 0.472 280 E N 0.395 120.401 120.200 -0.323 0.000 2.153 280 E HA -0.187 4.162 4.350 -0.001 0.000 0.194 280 E C 2.366 178.795 176.600 -0.285 0.000 0.988 280 E CA 0.838 56.893 56.400 -0.575 0.000 0.811 280 E CB -0.449 28.599 29.700 -1.088 0.000 0.746 280 E HN 0.510 nan 8.360 nan 0.000 0.466 281 A N 1.865 124.571 122.820 -0.190 0.000 1.892 281 A HA -0.260 4.060 4.320 -0.001 0.000 0.218 281 A C 1.950 179.439 177.584 -0.157 0.000 1.188 281 A CA 1.624 53.632 52.037 -0.048 0.000 0.631 281 A CB -0.877 18.137 19.000 0.024 0.000 0.822 281 A HN 0.301 nan 8.150 nan 0.000 0.447 282 H N -0.643 118.266 119.070 -0.270 0.000 2.422 282 H HA -0.082 4.473 4.556 -0.000 0.000 0.298 282 H C 2.263 177.445 175.328 -0.243 0.000 1.098 282 H CA 1.751 57.589 56.048 -0.351 0.000 1.315 282 H CB 0.089 29.558 29.762 -0.488 0.000 1.382 282 H HN 0.321 nan 8.280 nan 0.000 0.523 283 R N 0.295 120.748 120.500 -0.078 0.000 2.075 283 R HA 0.093 4.433 4.340 -0.001 0.000 0.226 283 R C 2.425 178.801 176.300 0.127 0.000 1.114 283 R CA 0.892 57.015 56.100 0.039 0.000 0.972 283 R CB -1.006 29.395 30.300 0.169 0.000 0.869 283 R HN 0.238 nan 8.270 nan 0.000 0.437 284 A N 0.856 123.805 122.820 0.214 0.000 2.019 284 A HA -0.031 4.289 4.320 -0.001 0.000 0.219 284 A C 1.636 179.283 177.584 0.105 0.000 1.164 284 A CA 1.047 53.213 52.037 0.214 0.000 0.644 284 A CB -0.247 18.933 19.000 0.300 0.000 0.805 284 A HN 0.215 nan 8.150 nan 0.000 0.449 285 L N -1.320 119.918 121.223 0.025 0.000 3.110 285 L HA 0.291 4.631 4.340 -0.001 0.000 0.266 285 L C 1.986 178.889 176.870 0.055 0.000 1.257 285 L CA 0.195 55.020 54.840 -0.026 0.000 1.038 285 L CB 0.279 42.209 42.059 -0.215 0.000 1.395 285 L HN 0.298 nan 8.230 nan 0.000 0.566 286 A N 0.227 123.111 122.820 0.106 0.000 1.940 286 A HA -0.242 4.078 4.320 -0.001 0.000 0.219 286 A C 1.927 179.635 177.584 0.208 0.000 1.176 286 A CA 1.623 53.750 52.037 0.151 0.000 0.631 286 A CB -0.571 18.501 19.000 0.120 0.000 0.814 286 A HN 0.730 nan 8.150 nan 0.000 0.446 287 W N 0.928 122.258 121.300 0.049 0.000 2.379 287 W HA -0.097 4.563 4.660 -0.001 0.000 0.307 287 W C 1.822 178.389 176.519 0.080 0.000 1.200 287 W CA 1.884 59.260 57.345 0.053 0.000 1.297 287 W CB -0.121 29.368 29.460 0.048 0.000 1.140 287 W HN 0.375 nan 8.180 nan 0.000 0.507 288 E N -0.176 120.114 120.200 0.149 0.000 2.017 288 E HA -0.233 4.117 4.350 -0.001 0.000 0.193 288 E C 1.954 178.487 176.600 -0.112 0.000 0.997 288 E CA 1.972 58.336 56.400 -0.059 0.000 0.804 288 E CB -1.304 28.333 29.700 -0.105 0.000 0.757 288 E HN 0.300 nan 8.360 nan 0.000 0.448 289 F N 0.956 120.809 119.950 -0.163 0.000 2.161 289 F HA -0.212 4.315 4.527 0.000 0.000 0.300 289 F C 2.131 177.901 175.800 -0.051 0.000 1.089 289 F CA 1.463 59.401 58.000 -0.102 0.000 1.282 289 F CB -0.081 38.881 39.000 -0.063 0.000 1.010 289 F HN -0.093 nan 8.300 nan 0.000 0.485 290 S N -0.449 115.231 115.700 -0.033 0.000 2.388 290 S HA -0.070 4.400 4.470 -0.001 0.000 0.223 290 S C 1.739 176.141 174.600 -0.329 0.000 1.034 290 S CA 1.025 59.138 58.200 -0.145 0.000 0.963 290 S CB -0.139 63.042 63.200 -0.031 0.000 0.827 290 S HN 0.391 nan 8.310 nan 0.000 0.481 291 E N 0.497 120.373 120.200 -0.539 0.000 2.276 291 E HA 0.078 4.428 4.350 -0.001 0.000 0.193 291 E C 0.123 176.014 176.600 -1.182 0.000 0.983 291 E CA 0.689 56.556 56.400 -0.890 0.000 0.861 291 E CB 0.086 28.998 29.700 -1.312 0.000 0.817 291 E HN 0.552 nan 8.360 nan 0.000 0.485 292 H N -0.370 118.419 119.070 -0.467 0.000 2.790 292 H HA 0.104 4.660 4.556 -0.001 0.000 0.232 292 H C 1.172 176.368 175.328 -0.219 0.000 1.313 292 H CA -0.225 55.627 56.048 -0.327 0.000 1.011 292 H CB 0.079 29.609 29.762 -0.386 0.000 2.105 292 H HN 0.195 nan 8.280 nan 0.000 0.580 293 H N 1.953 120.851 119.070 -0.287 0.000 2.265 293 H HA -0.143 4.413 4.556 -0.001 0.000 0.293 293 H C 0.587 175.816 175.328 -0.165 0.000 1.089 293 H CA 2.006 57.864 56.048 -0.316 0.000 1.244 293 H CB 0.372 29.845 29.762 -0.481 0.000 1.355 293 H HN 0.332 nan 8.280 nan 0.000 0.485 294 D N 0.440 120.883 120.400 0.072 0.000 2.309 294 D HA -0.100 4.539 4.640 -0.001 0.000 0.212 294 D C 1.803 178.100 176.300 -0.004 0.000 0.968 294 D CA 0.773 54.805 54.000 0.054 0.000 0.882 294 D CB -0.234 40.604 40.800 0.063 0.000 0.918 294 D HN 0.663 nan 8.370 nan 0.000 0.503 295 E N -0.001 120.200 120.200 0.001 0.000 2.481 295 E HA 0.082 4.432 4.350 -0.001 0.000 0.195 295 E C 0.612 177.239 176.600 0.045 0.000 1.047 295 E CA -0.077 56.340 56.400 0.028 0.000 0.867 295 E CB 0.555 30.284 29.700 0.047 0.000 0.858 295 E HN 0.289 nan 8.360 nan 0.000 0.513 296 I N 2.091 122.660 120.570 -0.001 0.000 2.496 296 I HA 0.058 4.228 4.170 -0.001 0.000 0.285 296 I C 0.616 176.750 176.117 0.028 0.000 1.080 296 I CA -0.715 60.608 61.300 0.040 0.000 1.404 296 I CB 0.722 38.673 38.000 -0.081 0.000 1.403 296 I HN 0.016 nan 8.210 nan 0.000 0.539 297 A N 8.563 131.435 122.820 0.087 0.000 2.609 297 A HA 0.042 4.362 4.320 -0.001 0.000 0.232 297 A C -1.473 176.124 177.584 0.021 0.000 1.041 297 A CA -0.629 51.439 52.037 0.051 0.000 0.753 297 A CB -0.450 18.588 19.000 0.062 0.000 0.966 297 A HN 0.604 nan 8.150 nan 0.000 0.510 298 P HA -0.272 nan 4.420 nan 0.000 0.214 298 P C 1.665 178.976 177.300 0.018 0.000 1.172 298 P CA 2.209 65.317 63.100 0.013 0.000 0.925 298 P CB -0.133 31.578 31.700 0.018 0.000 0.793 299 M N -2.217 117.398 119.600 0.025 0.000 2.080 299 M HA -0.158 4.322 4.480 -0.001 0.000 0.260 299 M C 2.167 178.484 176.300 0.029 0.000 1.068 299 M CA 1.627 56.946 55.300 0.032 0.000 1.109 299 M CB -1.077 31.546 32.600 0.038 0.000 1.342 299 M HN -0.036 nan 8.290 nan 0.000 0.405 300 L N 0.441 121.677 121.223 0.021 0.000 2.093 300 L HA -0.129 4.211 4.340 -0.001 0.000 0.208 300 L C 2.509 179.372 176.870 -0.012 0.000 1.085 300 L CA 1.790 56.631 54.840 0.002 0.000 0.755 300 L CB -0.735 41.322 42.059 -0.003 0.000 0.904 300 L HN 0.184 nan 8.230 nan 0.000 0.435 301 R N -0.530 119.958 120.500 -0.020 0.000 2.105 301 R HA -0.161 4.179 4.340 -0.001 0.000 0.239 301 R C 2.075 178.396 176.300 0.036 0.000 1.135 301 R CA 1.407 57.476 56.100 -0.052 0.000 0.967 301 R CB -0.301 29.919 30.300 -0.133 0.000 0.861 301 R HN 0.523 nan 8.270 nan 0.000 0.442 302 A N 0.374 123.219 122.820 0.043 0.000 1.897 302 A HA -0.141 4.179 4.320 -0.001 0.000 0.215 302 A C 2.166 179.794 177.584 0.074 0.000 1.181 302 A CA 1.724 53.803 52.037 0.070 0.000 0.620 302 A CB -0.552 18.480 19.000 0.054 0.000 0.821 302 A HN 0.586 nan 8.150 nan 0.000 0.443 303 S N 0.003 115.734 115.700 0.051 0.000 2.383 303 S HA -0.057 4.413 4.470 -0.001 0.000 0.227 303 S C 1.887 176.509 174.600 0.037 0.000 1.026 303 S CA 1.338 59.565 58.200 0.045 0.000 0.981 303 S CB -0.659 62.566 63.200 0.042 0.000 0.818 303 S HN 0.420 nan 8.310 nan 0.000 0.472 304 L N 1.519 122.740 121.223 -0.002 0.000 2.005 304 L HA -0.073 4.267 4.340 -0.001 0.000 0.207 304 L C 2.473 179.422 176.870 0.132 0.000 1.072 304 L CA 1.580 56.345 54.840 -0.125 0.000 0.744 304 L CB -0.736 41.156 42.059 -0.278 0.000 0.895 304 L HN 0.201 nan 8.230 nan 0.000 0.433 305 D N 0.129 120.698 120.400 0.281 0.000 2.228 305 D HA -0.185 4.455 4.640 -0.001 0.000 0.203 305 D C 1.986 178.409 176.300 0.206 0.000 0.988 305 D CA 1.444 55.662 54.000 0.363 0.000 0.864 305 D CB 0.079 41.080 40.800 0.333 0.000 0.928 305 D HN 0.361 nan 8.370 nan 0.000 0.469 306 A N -0.235 122.671 122.820 0.143 0.000 2.132 306 A HA 0.004 4.324 4.320 -0.001 0.000 0.213 306 A C 1.957 179.586 177.584 0.076 0.000 1.154 306 A CA 1.295 53.388 52.037 0.094 0.000 0.753 306 A CB -0.098 18.945 19.000 0.072 0.000 0.826 306 A HN 0.285 nan 8.150 nan 0.000 0.469 307 T N -3.581 111.040 114.554 0.111 0.000 3.092 307 T HA 0.189 4.539 4.350 -0.001 0.000 0.258 307 T C 1.307 175.962 174.700 -0.075 0.000 1.031 307 T CA 0.585 62.733 62.100 0.080 0.000 0.925 307 T CB 0.122 69.070 68.868 0.134 0.000 1.036 307 T HN -0.047 nan 8.240 nan 0.000 0.544 308 V N 2.001 121.829 119.914 -0.144 0.000 2.439 308 V HA -0.119 4.001 4.120 -0.001 0.000 0.253 308 V C 2.763 178.669 176.094 -0.313 0.000 1.074 308 V CA 2.280 64.298 62.300 -0.470 0.000 1.076 308 V CB -1.055 30.685 31.823 -0.139 0.000 0.664 308 V HN 0.726 nan 8.190 nan 0.000 0.461 309 G N -1.072 107.650 108.800 -0.130 0.000 2.813 309 G HA2 0.093 4.052 3.960 -0.001 0.000 0.209 309 G HA3 0.093 4.052 3.960 -0.001 0.000 0.209 309 G C 0.600 175.490 174.900 -0.017 0.000 1.150 309 G CA -0.360 44.702 45.100 -0.063 0.000 0.785 309 G HN 0.441 nan 8.290 nan 0.000 0.535 310 L N 2.158 123.385 121.223 0.006 0.000 2.559 310 L HA 0.159 4.499 4.340 -0.001 0.000 0.282 310 L C 1.250 178.235 176.870 0.191 0.000 1.232 310 L CA 0.030 54.938 54.840 0.112 0.000 0.885 310 L CB 0.348 42.541 42.059 0.225 0.000 1.131 310 L HN 0.170 nan 8.230 nan 0.000 0.498 311 T N -0.481 114.134 114.554 0.101 0.000 2.944 311 T HA 0.372 4.721 4.350 -0.001 0.000 0.284 311 T C -2.021 172.626 174.700 -0.088 0.000 1.010 311 T CA -2.000 60.148 62.100 0.081 0.000 1.025 311 T CB 1.923 70.802 68.868 0.018 0.000 1.079 311 T HN 0.280 nan 8.240 nan 0.000 0.516 312 P HA 0.004 nan 4.420 nan 0.000 0.218 312 P C 1.508 178.734 177.300 -0.124 0.000 1.149 312 P CA 0.800 63.804 63.100 -0.159 0.000 0.817 312 P CB 0.123 31.867 31.700 0.075 0.000 0.785 313 K N 0.990 121.347 120.400 -0.071 0.000 1.991 313 K HA -0.215 4.105 4.320 -0.001 0.000 0.212 313 K C 2.042 178.581 176.600 -0.103 0.000 1.049 313 K CA 2.007 58.253 56.287 -0.068 0.000 0.932 313 K CB -0.338 32.138 32.500 -0.040 0.000 0.717 313 K HN 0.165 nan 8.250 nan 0.000 0.441 314 E N -0.729 119.409 120.200 -0.102 0.000 2.268 314 E HA -0.238 4.112 4.350 -0.001 0.000 0.195 314 E C 1.976 178.483 176.600 -0.155 0.000 0.995 314 E CA 0.887 57.223 56.400 -0.108 0.000 0.836 314 E CB -0.478 29.178 29.700 -0.072 0.000 0.763 314 E HN 0.493 nan 8.360 nan 0.000 0.491 315 Y N 2.477 122.532 120.300 -0.409 0.000 2.184 315 Y HA -0.135 4.414 4.550 -0.000 0.000 0.290 315 Y C 1.699 177.392 175.900 -0.345 0.000 1.129 315 Y CA 1.879 59.654 58.100 -0.542 0.000 1.144 315 Y CB -0.171 37.547 38.460 -1.238 0.000 0.995 315 Y HN -0.091 nan 8.280 nan 0.000 0.513 316 D N 0.146 120.300 120.400 -0.411 0.000 2.117 316 D HA -0.189 4.451 4.640 -0.001 0.000 0.197 316 D C 1.997 178.113 176.300 -0.306 0.000 0.987 316 D CA 1.704 55.473 54.000 -0.385 0.000 0.829 316 D CB -0.286 40.407 40.800 -0.177 0.000 0.961 316 D HN 0.441 nan 8.370 nan 0.000 0.460 317 E N 1.082 121.147 120.200 -0.224 0.000 2.153 317 E HA -0.103 4.247 4.350 -0.001 0.000 0.194 317 E C 1.802 178.288 176.600 -0.191 0.000 0.988 317 E CA 1.354 57.652 56.400 -0.170 0.000 0.811 317 E CB -0.273 29.353 29.700 -0.124 0.000 0.746 317 E HN 0.168 nan 8.360 nan 0.000 0.466 318 A N 0.781 123.456 122.820 -0.240 0.000 1.872 318 A HA -0.113 4.207 4.320 -0.001 0.000 0.214 318 A C 2.228 179.652 177.584 -0.267 0.000 1.187 318 A CA 1.422 53.320 52.037 -0.231 0.000 0.614 318 A CB -0.405 18.458 19.000 -0.228 0.000 0.826 318 A HN 0.206 nan 8.150 nan 0.000 0.442 319 R N -0.828 119.446 120.500 -0.376 0.000 2.091 319 R HA -0.135 4.204 4.340 -0.001 0.000 0.238 319 R C 2.489 178.653 176.300 -0.227 0.000 1.136 319 R CA 1.492 57.387 56.100 -0.342 0.000 0.959 319 R CB -0.377 29.652 30.300 -0.452 0.000 0.856 319 R HN 0.544 nan 8.270 nan 0.000 0.437 320 R N 1.096 121.474 120.500 -0.204 0.000 2.091 320 R HA -0.117 4.223 4.340 -0.001 0.000 0.238 320 R C 2.181 178.407 176.300 -0.124 0.000 1.136 320 R CA 1.403 57.418 56.100 -0.142 0.000 0.959 320 R CB -0.188 30.037 30.300 -0.125 0.000 0.856 320 R HN 0.214 nan 8.270 nan 0.000 0.437 321 I N -0.216 120.274 120.570 -0.134 0.000 2.315 321 I HA -0.139 4.031 4.170 -0.001 0.000 0.248 321 I C 2.399 178.445 176.117 -0.118 0.000 1.117 321 I CA 1.215 62.446 61.300 -0.114 0.000 1.404 321 I CB -0.513 37.419 38.000 -0.114 0.000 1.071 321 I HN 0.391 nan 8.210 nan 0.000 0.419 322 G N 0.732 109.446 108.800 -0.144 0.000 2.418 322 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.217 322 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.217 322 G C 1.817 176.644 174.900 -0.121 0.000 1.158 322 G CA 0.344 45.358 45.100 -0.145 0.000 0.771 322 G HN 0.279 nan 8.290 nan 0.000 0.545 323 R N -0.264 120.167 120.500 -0.115 0.000 2.096 323 R HA 0.001 4.341 4.340 -0.001 0.000 0.235 323 R C 2.645 178.904 176.300 -0.068 0.000 1.127 323 R CA 1.208 57.254 56.100 -0.091 0.000 0.968 323 R CB -0.238 30.012 30.300 -0.083 0.000 0.861 323 R HN 0.295 nan 8.270 nan 0.000 0.440 324 R N 0.270 120.730 120.500 -0.067 0.000 2.092 324 R HA -0.081 4.259 4.340 -0.001 0.000 0.231 324 R C 2.249 178.525 176.300 -0.040 0.000 1.119 324 R CA 1.561 57.632 56.100 -0.049 0.000 0.970 324 R CB -0.458 29.811 30.300 -0.053 0.000 0.864 324 R HN 0.282 nan 8.270 nan 0.000 0.440 325 G N 0.434 109.202 108.800 -0.054 0.000 2.422 325 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.218 325 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.218 325 G C 1.327 176.221 174.900 -0.010 0.000 1.146 325 G CA 0.561 45.635 45.100 -0.043 0.000 0.769 325 G HN 0.293 nan 8.290 nan 0.000 0.547 326 R N -0.101 120.384 120.500 -0.025 0.000 2.070 326 R HA 0.028 4.368 4.340 -0.001 0.000 0.233 326 R C 2.807 179.125 176.300 0.030 0.000 1.137 326 R CA 1.027 57.125 56.100 -0.003 0.000 0.945 326 R CB -0.353 29.908 30.300 -0.064 0.000 0.845 326 R HN 0.256 nan 8.270 nan 0.000 0.430 327 R N 0.915 121.420 120.500 0.009 0.000 2.094 327 R HA -0.174 4.166 4.340 -0.001 0.000 0.239 327 R C 2.190 178.521 176.300 0.051 0.000 1.137 327 R CA 1.754 57.869 56.100 0.025 0.000 0.943 327 R CB -0.253 30.052 30.300 0.007 0.000 0.850 327 R HN 0.377 nan 8.270 nan 0.000 0.433 328 E N 0.394 120.617 120.200 0.039 0.000 2.204 328 E HA -0.180 4.170 4.350 -0.001 0.000 0.194 328 E C 1.903 178.554 176.600 0.085 0.000 0.989 328 E CA 0.620 57.048 56.400 0.047 0.000 0.824 328 E CB -0.043 29.669 29.700 0.020 0.000 0.756 328 E HN 0.105 nan 8.360 nan 0.000 0.477 329 L N 0.498 121.792 121.223 0.118 0.000 2.093 329 L HA -0.025 4.315 4.340 -0.001 0.000 0.208 329 L C 2.158 179.204 176.870 0.293 0.000 1.085 329 L CA 2.053 57.013 54.840 0.200 0.000 0.755 329 L CB -0.829 41.389 42.059 0.265 0.000 0.904 329 L HN 0.066 nan 8.230 nan 0.000 0.435 330 G N -1.064 107.894 108.800 0.264 0.000 2.450 330 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.220 330 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.220 330 G C 1.421 176.477 174.900 0.259 0.000 1.130 330 G CA 0.868 46.148 45.100 0.301 0.000 0.760 330 G HN 0.559 nan 8.290 nan 0.000 0.557 331 E N -0.076 120.219 120.200 0.159 0.000 2.077 331 E HA -0.106 4.244 4.350 -0.001 0.000 0.193 331 E C 2.706 179.358 176.600 0.087 0.000 0.989 331 E CA 1.025 57.487 56.400 0.104 0.000 0.800 331 E CB -0.173 29.564 29.700 0.062 0.000 0.746 331 E HN 0.314 nan 8.360 nan 0.000 0.452 332 V N 0.710 120.653 119.914 0.049 0.000 2.453 332 V HA -0.239 3.880 4.120 -0.001 0.000 0.252 332 V C 1.575 177.581 176.094 -0.146 0.000 1.068 332 V CA 1.565 63.813 62.300 -0.087 0.000 1.070 332 V CB -0.531 31.172 31.823 -0.200 0.000 0.664 332 V HN 0.223 nan 8.190 nan 0.000 0.461 333 F N 0.036 120.025 119.950 0.064 0.000 2.725 333 F HA 0.110 4.637 4.527 -0.001 0.000 0.303 333 F C 1.894 177.714 175.800 0.033 0.000 1.167 333 F CA 0.301 58.332 58.000 0.051 0.000 1.403 333 F CB -0.361 38.677 39.000 0.064 0.000 1.077 333 F HN 0.246 nan 8.300 nan 0.000 0.537 334 E N -0.504 119.785 120.200 0.148 0.000 2.474 334 E HA 0.088 4.438 4.350 -0.001 0.000 0.194 334 E C 2.033 178.667 176.600 0.056 0.000 1.041 334 E CA 0.448 56.906 56.400 0.095 0.000 0.874 334 E CB 0.251 29.993 29.700 0.070 0.000 0.914 334 E HN 0.446 nan 8.360 nan 0.000 0.498 335 G N 0.473 109.299 108.800 0.043 0.000 3.443 335 G HA2 0.236 4.195 3.960 -0.001 0.000 0.252 335 G HA3 0.236 4.195 3.960 -0.001 0.000 0.252 335 G C 0.018 174.928 174.900 0.016 0.000 1.015 335 G CA -0.049 45.063 45.100 0.019 0.000 0.891 335 G HN -0.022 nan 8.290 nan 0.000 0.510 336 V N 0.561 120.497 119.914 0.036 0.000 2.925 336 V HA 0.337 4.456 4.120 -0.001 0.000 0.311 336 V C -0.204 175.986 176.094 0.160 0.000 1.104 336 V CA -0.675 61.651 62.300 0.044 0.000 0.954 336 V CB 2.335 34.137 31.823 -0.035 0.000 1.022 336 V HN 0.068 nan 8.190 nan 0.000 0.427 337 D N 1.098 121.600 120.400 0.169 0.000 2.216 337 D HA 0.070 4.710 4.640 -0.001 0.000 0.208 337 D C 0.383 176.920 176.300 0.395 0.000 0.960 337 D CA 1.452 55.617 54.000 0.275 0.000 0.861 337 D CB 1.005 42.008 40.800 0.337 0.000 0.985 337 D HN 0.486 nan 8.370 nan 0.000 0.493 338 V N -2.143 117.931 119.914 0.266 0.000 3.188 338 V HA 0.522 4.642 4.120 -0.001 0.000 0.305 338 V C -1.037 175.112 176.094 0.092 0.000 1.232 338 V CA -1.158 61.285 62.300 0.239 0.000 1.043 338 V CB 2.440 34.296 31.823 0.055 0.000 1.068 338 V HN -0.159 nan 8.190 nan 0.000 0.439 339 L N 2.168 123.414 121.223 0.039 0.000 2.325 339 L HA 0.679 5.019 4.340 -0.001 0.000 0.278 339 L C -0.974 175.813 176.870 -0.138 0.000 1.023 339 L CA -0.746 54.023 54.840 -0.118 0.000 0.811 339 L CB 1.804 43.720 42.059 -0.238 0.000 1.249 339 L HN 0.627 nan 8.230 nan 0.000 0.431 340 L N 2.263 123.406 121.223 -0.134 0.000 2.325 340 L HA 0.707 5.047 4.340 -0.001 0.000 0.281 340 L C -0.289 176.469 176.870 -0.188 0.000 1.004 340 L CA 0.491 55.249 54.840 -0.137 0.000 0.823 340 L CB 1.718 43.719 42.059 -0.096 0.000 1.236 340 L HN 0.669 nan 8.230 nan 0.000 0.415 341 T N 2.505 116.935 114.554 -0.206 0.000 2.618 341 T HA 0.500 4.850 4.350 -0.001 0.000 0.293 341 T C -1.148 173.417 174.700 -0.226 0.000 1.093 341 T CA -0.396 61.544 62.100 -0.266 0.000 1.061 341 T CB 0.378 69.191 68.868 -0.091 0.000 1.498 341 T HN 0.279 nan 8.240 nan 0.000 0.494 342 Y N 0.919 121.198 120.300 -0.035 0.000 2.336 342 Y HA 0.341 4.891 4.550 -0.001 0.000 0.331 342 Y C 1.828 177.723 175.900 -0.009 0.000 1.211 342 Y CA -0.247 57.799 58.100 -0.089 0.000 1.346 342 Y CB 1.004 39.288 38.460 -0.294 0.000 1.271 342 Y HN 0.490 nan 8.280 nan 0.000 0.538 343 S N 0.869 116.658 115.700 0.150 0.000 2.492 343 S HA 0.420 4.889 4.470 -0.001 0.000 0.218 343 S C 0.241 174.893 174.600 0.087 0.000 1.016 343 S CA 0.391 58.652 58.200 0.101 0.000 0.916 343 S CB 0.249 63.479 63.200 0.049 0.000 0.791 343 S HN 0.723 nan 8.310 nan 0.000 0.513 344 A N 0.698 123.558 122.820 0.067 0.000 2.586 344 A HA 0.642 4.962 4.320 -0.001 0.000 0.290 344 A C -2.698 174.873 177.584 -0.021 0.000 1.086 344 A CA -1.070 51.010 52.037 0.070 0.000 0.665 344 A CB 0.048 19.060 19.000 0.019 0.000 1.279 344 A HN -0.079 nan 8.150 nan 0.000 0.423 345 P HA 0.152 nan 4.420 nan 0.000 0.225 345 P C 0.804 178.053 177.300 -0.085 0.000 1.148 345 P CA 1.988 65.078 63.100 -0.016 0.000 0.779 345 P CB 0.220 32.059 31.700 0.231 0.000 0.780 346 G N -2.408 106.419 108.800 0.045 0.000 2.404 346 G HA2 0.192 4.151 3.960 -0.001 0.000 0.253 346 G HA3 0.192 4.151 3.960 -0.001 0.000 0.253 346 G C -0.960 174.007 174.900 0.111 0.000 1.253 346 G CA -0.167 44.947 45.100 0.023 0.000 0.917 346 G HN 0.009 nan 8.290 nan 0.000 0.480 347 T N -0.370 114.183 114.554 -0.000 0.000 2.856 347 T HA 0.581 4.931 4.350 -0.001 0.000 0.306 347 T C 0.930 175.437 174.700 -0.322 0.000 1.062 347 T CA 0.677 62.720 62.100 -0.096 0.000 1.083 347 T CB 1.079 69.869 68.868 -0.130 0.000 0.984 347 T HN 2.038 nan 8.240 nan 0.000 0.542 348 A N 3.105 125.531 122.820 -0.657 0.000 2.546 348 A HA 0.427 4.747 4.320 -0.001 0.000 0.243 348 A C -2.086 175.341 177.584 -0.262 0.000 1.063 348 A CA -1.081 50.338 52.037 -1.031 0.000 0.757 348 A CB -0.958 17.620 19.000 -0.704 0.000 0.991 348 A HN 0.691 nan 8.150 nan 0.000 0.503 349 P HA 0.292 nan 4.420 nan 0.000 0.272 349 P C -0.103 177.175 177.300 -0.037 0.000 1.223 349 P CA 0.099 63.184 63.100 -0.024 0.000 0.784 349 P CB 0.635 32.327 31.700 -0.015 0.000 0.923 350 A N 2.619 125.328 122.820 -0.186 0.000 2.462 350 A HA 0.065 4.385 4.320 -0.001 0.000 0.243 350 A C 1.433 178.887 177.584 -0.217 0.000 1.076 350 A CA -0.055 51.698 52.037 -0.474 0.000 0.773 350 A CB 0.012 18.782 19.000 -0.384 0.000 1.010 350 A HN 0.442 nan 8.150 nan 0.000 0.493 351 K N 2.065 122.348 120.400 -0.195 0.000 2.160 351 K HA -0.225 4.094 4.320 -0.001 0.000 0.206 351 K C 2.081 178.643 176.600 -0.063 0.000 1.047 351 K CA 1.640 57.877 56.287 -0.083 0.000 0.930 351 K CB -0.729 31.736 32.500 -0.057 0.000 0.720 351 K HN 0.843 nan 8.250 nan 0.000 0.450 352 A N 1.166 123.935 122.820 -0.084 0.000 2.084 352 A HA -0.125 4.194 4.320 -0.001 0.000 0.221 352 A C 2.030 179.593 177.584 -0.035 0.000 1.161 352 A CA 1.119 53.124 52.037 -0.054 0.000 0.653 352 A CB -0.541 18.423 19.000 -0.061 0.000 0.802 352 A HN 0.237 nan 8.150 nan 0.000 0.457 353 L N -1.466 119.735 121.223 -0.037 0.000 2.599 353 L HA 0.183 4.523 4.340 -0.001 0.000 0.230 353 L C 1.507 178.380 176.870 0.004 0.000 1.141 353 L CA 0.243 55.076 54.840 -0.012 0.000 0.877 353 L CB -0.489 41.565 42.059 -0.008 0.000 1.009 353 L HN 0.495 nan 8.230 nan 0.000 0.447 354 A N 0.669 123.490 122.820 0.001 0.000 2.596 354 A HA -0.218 4.102 4.320 -0.001 0.000 0.300 354 A C 0.557 178.160 177.584 0.032 0.000 1.495 354 A CA 1.053 53.099 52.037 0.015 0.000 0.769 354 A CB -1.618 17.390 19.000 0.014 0.000 1.047 354 A HN 0.418 nan 8.150 nan 0.000 0.436 355 S N -1.170 114.554 115.700 0.041 0.000 2.575 355 S HA 0.629 5.098 4.470 -0.001 0.000 0.278 355 S C 0.895 175.554 174.600 0.100 0.000 1.139 355 S CA 0.557 58.797 58.200 0.068 0.000 0.954 355 S CB 1.418 64.660 63.200 0.070 0.000 1.054 355 S HN 1.456 nan 8.310 nan 0.000 0.483 356 T N 0.950 115.581 114.554 0.127 0.000 3.129 356 T HA 0.520 4.869 4.350 -0.001 0.000 0.251 356 T C 1.072 175.947 174.700 0.292 0.000 1.117 356 T CA 0.400 62.611 62.100 0.185 0.000 1.034 356 T CB -0.685 68.272 68.868 0.148 0.000 0.968 356 T HN 1.813 nan 8.240 nan 0.000 0.526 357 G N 0.983 109.931 108.800 0.246 0.000 2.697 357 G HA2 0.034 3.994 3.960 -0.001 0.000 0.686 357 G HA3 0.034 3.994 3.960 -0.001 0.000 0.686 357 G C -1.256 173.766 174.900 0.204 0.000 1.179 357 G CA -0.640 44.642 45.100 0.303 0.000 0.765 357 G HN 0.417 nan 8.290 nan 0.000 0.649 358 D N 1.611 122.127 120.400 0.193 0.000 2.348 358 D HA 0.480 5.120 4.640 -0.001 0.000 0.253 358 D C -1.014 175.374 176.300 0.147 0.000 1.161 358 D CA -1.978 52.111 54.000 0.148 0.000 0.876 358 D CB 1.484 42.370 40.800 0.143 0.000 1.160 358 D HN 0.063 nan 8.370 nan 0.000 0.459 359 P HA 0.056 nan 4.420 nan 0.000 0.249 359 P C 0.982 178.327 177.300 0.075 0.000 1.229 359 P CA 0.134 63.284 63.100 0.083 0.000 0.788 359 P CB 0.028 31.755 31.700 0.045 0.000 1.072 360 R N -0.461 120.076 120.500 0.063 0.000 2.185 360 R HA -0.194 4.145 4.340 -0.001 0.000 0.247 360 R C 0.587 176.930 176.300 0.072 0.000 1.159 360 R CA 1.691 57.842 56.100 0.083 0.000 0.988 360 R CB -1.519 28.791 30.300 0.017 0.000 0.871 360 R HN 0.225 nan 8.270 nan 0.000 0.458 361 Y N 0.217 120.651 120.300 0.224 0.000 2.583 361 Y HA 0.305 4.854 4.550 -0.000 0.000 0.294 361 Y C 1.013 177.089 175.900 0.293 0.000 1.170 361 Y CA -0.400 57.839 58.100 0.232 0.000 1.265 361 Y CB 0.311 38.885 38.460 0.191 0.000 1.119 361 Y HN 0.179 nan 8.280 nan 0.000 0.522 362 N N -0.394 118.490 118.700 0.307 0.000 2.486 362 N HA -0.011 4.729 4.740 -0.001 0.000 0.242 362 N C 1.976 177.567 175.510 0.136 0.000 1.083 362 N CA 0.253 53.476 53.050 0.288 0.000 0.844 362 N CB -0.035 38.561 38.487 0.181 0.000 1.527 362 N HN 0.344 nan 8.380 nan 0.000 0.462 363 R N 1.643 122.087 120.500 -0.094 0.000 2.113 363 R HA -0.119 4.221 4.340 -0.001 0.000 0.244 363 R C 2.051 178.150 176.300 -0.336 0.000 1.142 363 R CA 1.328 57.137 56.100 -0.485 0.000 0.953 363 R CB -0.946 28.650 30.300 -1.173 0.000 0.860 363 R HN 0.091 nan 8.270 nan 0.000 0.438 364 L N 0.929 122.002 121.223 -0.249 0.000 1.963 364 L HA -0.162 4.177 4.340 -0.001 0.000 0.220 364 L C 2.162 178.853 176.870 -0.299 0.000 1.076 364 L CA 1.936 56.569 54.840 -0.345 0.000 0.772 364 L CB -0.871 40.816 42.059 -0.619 0.000 0.892 364 L HN 0.349 nan 8.230 nan 0.000 0.435 365 W N -0.591 120.785 121.300 0.127 0.000 2.331 365 W HA -0.200 4.460 4.660 -0.000 0.000 0.291 365 W C 2.380 178.950 176.519 0.085 0.000 1.214 365 W CA 1.121 58.538 57.345 0.119 0.000 1.228 365 W CB -1.200 28.342 29.460 0.136 0.000 1.135 365 W HN 0.135 nan 8.180 nan 0.000 0.537 366 T N 0.884 115.567 114.554 0.215 0.000 2.904 366 T HA -0.157 4.192 4.350 -0.001 0.000 0.267 366 T C 1.725 176.430 174.700 0.009 0.000 1.059 366 T CA 1.185 63.369 62.100 0.140 0.000 1.137 366 T CB -0.418 68.529 68.868 0.131 0.000 0.879 366 T HN -0.002 nan 8.240 nan 0.000 0.467 367 L N 0.932 122.154 121.223 -0.001 0.000 2.072 367 L HA 0.105 4.445 4.340 -0.001 0.000 0.205 367 L C 2.090 178.869 176.870 -0.152 0.000 1.079 367 L CA 1.622 56.391 54.840 -0.120 0.000 0.752 367 L CB -0.650 41.372 42.059 -0.063 0.000 0.906 367 L HN 0.111 nan 8.230 nan 0.000 0.436 368 M N -0.599 118.981 119.600 -0.033 0.000 2.213 368 M HA 0.077 4.557 4.480 -0.001 0.000 0.263 368 M C 1.898 178.208 176.300 0.017 0.000 1.062 368 M CA 1.286 56.597 55.300 0.018 0.000 1.105 368 M CB -1.685 31.025 32.600 0.183 0.000 1.385 368 M HN 0.522 nan 8.290 nan 0.000 0.417 369 G N 0.302 109.160 108.800 0.097 0.000 2.195 369 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.246 369 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.246 369 G C 0.099 175.274 174.900 0.458 0.000 0.984 369 G CA 0.313 45.553 45.100 0.234 0.000 0.633 369 G HN 0.492 nan 8.290 nan 0.000 0.525 370 N N 2.463 121.401 118.700 0.397 0.000 2.374 370 N HA 0.417 5.157 4.740 -0.001 0.000 0.241 370 N C -2.128 173.526 175.510 0.241 0.000 1.262 370 N CA -0.092 53.163 53.050 0.342 0.000 0.880 370 N CB 0.616 39.289 38.487 0.309 0.000 1.105 370 N HN 0.266 nan 8.380 nan 0.000 0.438 371 P HA 0.201 nan 4.420 nan 0.000 0.281 371 P C -0.822 176.501 177.300 0.040 0.000 1.252 371 P CA -0.282 62.868 63.100 0.084 0.000 0.778 371 P CB 0.544 32.271 31.700 0.045 0.000 0.895 372 C N 3.139 122.457 119.300 0.029 0.000 2.507 372 C HA 0.623 5.083 4.460 -0.001 0.000 0.319 372 C C 0.012 174.983 174.990 -0.033 0.000 1.208 372 C CA -0.478 58.526 59.018 -0.023 0.000 1.619 372 C CB 1.693 29.431 27.740 -0.003 0.000 2.230 372 C HN 0.347 nan 8.230 nan 0.000 0.492 373 V N 2.855 122.739 119.914 -0.049 0.000 2.525 373 V HA 0.370 4.490 4.120 -0.001 0.000 0.299 373 V C -0.362 175.708 176.094 -0.041 0.000 1.034 373 V CA -0.411 61.861 62.300 -0.046 0.000 0.863 373 V CB 1.787 33.593 31.823 -0.029 0.000 0.999 373 V HN 0.879 nan 8.190 nan 0.000 0.423 374 N N 3.487 122.162 118.700 -0.042 0.000 2.458 374 N HA 0.429 5.169 4.740 -0.001 0.000 0.270 374 N C -0.976 174.527 175.510 -0.012 0.000 1.102 374 N CA -0.039 52.999 53.050 -0.021 0.000 0.967 374 N CB 1.411 39.893 38.487 -0.008 0.000 1.078 374 N HN 0.430 nan 8.380 nan 0.000 0.471 375 V N 5.896 125.807 119.914 -0.005 0.000 2.378 375 V HA 0.404 4.524 4.120 -0.001 0.000 0.288 375 V C -2.179 173.915 176.094 -0.000 0.000 1.016 375 V CA -1.822 60.477 62.300 -0.002 0.000 0.840 375 V CB 1.600 33.424 31.823 0.002 0.000 0.994 375 V HN 0.742 nan 8.190 nan 0.000 0.431 376 P HA 0.127 nan 4.420 nan 0.000 0.265 376 P C 0.487 177.778 177.300 -0.015 0.000 1.222 376 P CA 0.394 63.491 63.100 -0.005 0.000 0.767 376 P CB 1.084 32.781 31.700 -0.005 0.000 0.801 377 V N 4.530 124.434 119.914 -0.015 0.000 2.543 377 V HA 0.119 4.239 4.120 -0.001 0.000 0.232 377 V C 1.114 177.191 176.094 -0.028 0.000 1.087 377 V CA 1.195 63.483 62.300 -0.019 0.000 1.113 377 V CB -0.646 31.171 31.823 -0.011 0.000 0.779 377 V HN 0.376 nan 8.190 nan 0.000 0.495 378 L N -1.474 119.730 121.223 -0.032 0.000 2.305 378 L HA 0.714 5.054 4.340 -0.001 0.000 0.239 378 L C -1.395 175.438 176.870 -0.062 0.000 1.146 378 L CA -0.802 54.013 54.840 -0.043 0.000 1.038 378 L CB 1.446 43.486 42.059 -0.033 0.000 1.591 378 L HN 0.095 nan 8.230 nan 0.000 0.438 379 K N 0.074 120.436 120.400 -0.065 0.000 2.501 379 K HA 0.727 5.047 4.320 -0.001 0.000 0.252 379 K C -1.563 174.998 176.600 -0.066 0.000 0.934 379 K CA -0.567 55.669 56.287 -0.085 0.000 0.797 379 K CB 3.026 35.459 32.500 -0.112 0.000 1.270 379 K HN 0.376 nan 8.250 nan 0.000 0.431 380 V N 1.809 121.680 119.914 -0.071 0.000 2.409 380 V HA 0.451 4.571 4.120 -0.001 0.000 0.291 380 V C 0.855 176.905 176.094 -0.074 0.000 1.020 380 V CA -0.043 62.222 62.300 -0.059 0.000 0.848 380 V CB 1.185 32.978 31.823 -0.051 0.000 0.990 380 V HN 1.043 nan 8.190 nan 0.000 0.430 381 G N 3.793 112.558 108.800 -0.058 0.000 2.203 381 G HA2 -0.017 3.942 3.960 -0.001 0.000 0.263 381 G HA3 -0.017 3.942 3.960 -0.001 0.000 0.263 381 G C 1.200 176.055 174.900 -0.076 0.000 1.012 381 G CA 0.866 45.931 45.100 -0.059 0.000 0.749 381 G HN 2.265 nan 8.290 nan 0.000 0.512 382 G N -2.294 106.462 108.800 -0.074 0.000 2.225 382 G HA2 -0.156 3.803 3.960 -0.001 0.000 0.254 382 G HA3 -0.156 3.803 3.960 -0.001 0.000 0.254 382 G C 0.298 175.130 174.900 -0.113 0.000 0.988 382 G CA 0.442 45.500 45.100 -0.070 0.000 0.625 382 G HN 1.229 nan 8.290 nan 0.000 0.527 383 L N 1.725 122.853 121.223 -0.157 0.000 2.281 383 L HA 0.426 4.766 4.340 -0.001 0.000 0.285 383 L C -1.884 174.885 176.870 -0.168 0.000 1.074 383 L CA -1.973 52.751 54.840 -0.194 0.000 0.817 383 L CB 0.479 42.373 42.059 -0.275 0.000 1.168 383 L HN -0.096 nan 8.230 nan 0.000 0.434 384 P HA 0.151 nan 4.420 nan 0.000 0.267 384 P C -0.528 176.748 177.300 -0.041 0.000 1.200 384 P CA 0.207 63.205 63.100 -0.170 0.000 0.772 384 P CB 0.760 32.313 31.700 -0.244 0.000 0.855 385 I N 1.546 122.100 120.570 -0.027 0.000 2.619 385 I HA 0.572 4.742 4.170 -0.001 0.000 0.292 385 I C 0.546 176.674 176.117 0.018 0.000 1.100 385 I CA -0.196 61.115 61.300 0.018 0.000 1.043 385 I CB 1.831 39.833 38.000 0.003 0.000 1.239 385 I HN 0.451 nan 8.210 nan 0.000 0.420 386 G N 4.256 113.080 108.800 0.040 0.000 2.798 386 G HA2 0.796 4.756 3.960 -0.001 0.000 0.286 386 G HA3 0.796 4.756 3.960 -0.001 0.000 0.286 386 G C -1.117 173.804 174.900 0.034 0.000 1.389 386 G CA -0.528 44.588 45.100 0.028 0.000 0.894 386 G HN 0.494 nan 8.290 nan 0.000 0.488 387 V N -2.541 117.381 119.914 0.014 0.000 3.074 387 V HA 0.802 4.922 4.120 -0.001 0.000 0.314 387 V C -0.593 175.491 176.094 -0.016 0.000 1.117 387 V CA -1.081 61.218 62.300 -0.001 0.000 1.014 387 V CB 1.692 33.499 31.823 -0.026 0.000 1.057 387 V HN 0.851 nan 8.190 nan 0.000 0.438 388 Q N 1.234 121.009 119.800 -0.041 0.000 2.348 388 Q HA 0.648 4.988 4.340 -0.001 0.000 0.265 388 Q C -1.653 174.276 176.000 -0.117 0.000 0.998 388 Q CA -0.593 55.169 55.803 -0.069 0.000 0.831 388 Q CB 2.029 30.730 28.738 -0.062 0.000 1.251 388 Q HN 0.793 nan 8.270 nan 0.000 0.456 389 V N 6.615 126.474 119.914 -0.092 0.000 2.385 389 V HA 0.389 4.508 4.120 -0.001 0.000 0.269 389 V C -0.099 175.927 176.094 -0.112 0.000 1.043 389 V CA -0.267 61.980 62.300 -0.088 0.000 0.906 389 V CB 0.860 32.656 31.823 -0.044 0.000 0.995 389 V HN 0.707 nan 8.190 nan 0.000 0.467 390 I N 4.421 124.912 120.570 -0.132 0.000 2.436 390 I HA 0.771 4.941 4.170 -0.001 0.000 0.289 390 I C 0.287 176.455 176.117 0.086 0.000 1.010 390 I CA -0.405 60.830 61.300 -0.109 0.000 1.098 390 I CB 1.870 39.651 38.000 -0.365 0.000 1.266 390 I HN 0.653 nan 8.210 nan 0.000 0.434 391 A N 6.277 129.106 122.820 0.016 0.000 2.309 391 A HA 0.772 5.092 4.320 -0.001 0.000 0.317 391 A C -0.052 177.204 177.584 -0.547 0.000 1.134 391 A CA -0.788 51.194 52.037 -0.092 0.000 0.866 391 A CB 0.935 19.919 19.000 -0.026 0.000 1.329 391 A HN 0.727 nan 8.150 nan 0.000 0.477 392 R N -0.815 119.083 120.500 -1.003 0.000 2.827 392 R HA 0.162 4.502 4.340 -0.001 0.000 0.269 392 R C -0.467 175.675 176.300 -0.264 0.000 1.048 392 R CA -0.199 55.328 56.100 -0.956 0.000 1.173 392 R CB 0.154 30.054 30.300 -0.666 0.000 1.070 392 R HN 0.571 nan 8.270 nan 0.000 0.498 393 F N 1.067 120.892 119.950 -0.209 0.000 2.602 393 F HA 0.109 4.636 4.527 0.000 0.000 0.385 393 F C 1.293 177.061 175.800 -0.053 0.000 1.063 393 F CA 1.609 59.577 58.000 -0.054 0.000 1.233 393 F CB 0.176 39.184 39.000 0.013 0.000 1.067 393 F HN 0.812 nan 8.300 nan 0.000 0.564 394 G N 3.944 112.384 108.800 -0.601 0.000 2.176 394 G HA2 -0.343 3.617 3.960 -0.001 0.000 0.253 394 G HA3 -0.343 3.617 3.960 -0.001 0.000 0.253 394 G C 0.314 175.064 174.900 -0.249 0.000 0.979 394 G CA 0.233 45.043 45.100 -0.483 0.000 0.641 394 G HN 0.706 nan 8.290 nan 0.000 0.530 395 N N 0.720 119.314 118.700 -0.178 0.000 2.538 395 N HA 0.413 5.153 4.740 -0.001 0.000 0.291 395 N C 0.956 176.447 175.510 -0.032 0.000 1.323 395 N CA 0.171 53.160 53.050 -0.101 0.000 0.934 395 N CB 0.393 38.829 38.487 -0.085 0.000 1.255 395 N HN 0.314 nan 8.380 nan 0.000 0.509 396 D N 0.180 120.564 120.400 -0.027 0.000 2.123 396 D HA -0.148 4.492 4.640 -0.001 0.000 0.196 396 D C 1.898 178.282 176.300 0.140 0.000 0.992 396 D CA 1.242 55.299 54.000 0.096 0.000 0.833 396 D CB 0.020 40.974 40.800 0.257 0.000 0.954 396 D HN 0.365 nan 8.370 nan 0.000 0.455 397 A N 0.306 123.149 122.820 0.039 0.000 1.908 397 A HA -0.274 4.045 4.320 -0.001 0.000 0.218 397 A C 2.057 179.712 177.584 0.117 0.000 1.181 397 A CA 2.028 54.100 52.037 0.059 0.000 0.627 397 A CB -0.888 18.038 19.000 -0.124 0.000 0.818 397 A HN 0.357 nan 8.150 nan 0.000 0.445 398 H N -0.326 118.736 119.070 -0.013 0.000 2.428 398 H HA 0.220 4.776 4.556 -0.001 0.000 0.296 398 H C 2.104 177.448 175.328 0.027 0.000 1.062 398 H CA 1.324 57.369 56.048 -0.004 0.000 1.350 398 H CB -0.267 29.471 29.762 -0.039 0.000 1.403 398 H HN 0.372 nan 8.280 nan 0.000 0.533 399 A N 0.395 123.189 122.820 -0.044 0.000 1.930 399 A HA -0.063 4.257 4.320 -0.001 0.000 0.217 399 A C 2.423 179.990 177.584 -0.029 0.000 1.175 399 A CA 1.333 53.323 52.037 -0.078 0.000 0.627 399 A CB -0.727 18.264 19.000 -0.016 0.000 0.815 399 A HN 0.467 nan 8.150 nan 0.000 0.443 400 L N -1.086 120.167 121.223 0.051 0.000 2.156 400 L HA -0.105 4.235 4.340 -0.001 0.000 0.208 400 L C 3.033 180.008 176.870 0.175 0.000 1.095 400 L CA 0.821 55.727 54.840 0.110 0.000 0.770 400 L CB -0.442 41.714 42.059 0.161 0.000 0.914 400 L HN 0.434 nan 8.230 nan 0.000 0.439 401 A N -0.468 122.429 122.820 0.128 0.000 1.898 401 A HA -0.161 4.159 4.320 -0.001 0.000 0.216 401 A C 2.337 179.982 177.584 0.101 0.000 1.181 401 A CA 2.137 54.260 52.037 0.143 0.000 0.620 401 A CB -0.759 18.293 19.000 0.086 0.000 0.819 401 A HN 0.324 nan 8.150 nan 0.000 0.442 402 T N 0.070 114.582 114.554 -0.069 0.000 2.904 402 T HA 0.092 4.442 4.350 -0.001 0.000 0.267 402 T C 2.169 176.972 174.700 0.171 0.000 1.059 402 T CA 1.216 63.299 62.100 -0.028 0.000 1.137 402 T CB -0.292 68.435 68.868 -0.234 0.000 0.879 402 T HN 0.559 nan 8.240 nan 0.000 0.467 403 A N 1.088 123.981 122.820 0.122 0.000 1.873 403 A HA -0.094 4.226 4.320 -0.001 0.000 0.215 403 A C 2.093 179.809 177.584 0.220 0.000 1.186 403 A CA 1.162 53.276 52.037 0.129 0.000 0.616 403 A CB -0.991 18.050 19.000 0.069 0.000 0.823 403 A HN 0.634 nan 8.150 nan 0.000 0.442 404 W N 0.286 121.615 121.300 0.048 0.000 2.342 404 W HA -0.217 4.442 4.660 -0.001 0.000 0.297 404 W C 1.902 178.455 176.519 0.057 0.000 1.213 404 W CA 1.394 58.765 57.345 0.044 0.000 1.251 404 W CB -1.031 28.460 29.460 0.052 0.000 1.136 404 W HN 0.433 nan 8.180 nan 0.000 0.526 405 F N 0.704 120.768 119.950 0.190 0.000 2.075 405 F HA -0.211 4.316 4.527 -0.000 0.000 0.297 405 F C 2.383 178.224 175.800 0.068 0.000 1.113 405 F CA 2.295 60.328 58.000 0.054 0.000 1.218 405 F CB -1.034 37.962 39.000 -0.007 0.000 0.984 405 F HN -0.180 nan 8.300 nan 0.000 0.472 406 L N 0.282 121.503 121.223 -0.004 0.000 2.083 406 L HA -0.205 4.134 4.340 -0.001 0.000 0.209 406 L C 2.314 179.106 176.870 -0.131 0.000 1.083 406 L CA 1.746 56.503 54.840 -0.138 0.000 0.752 406 L CB -0.499 41.605 42.059 0.074 0.000 0.899 406 L HN 0.305 nan 8.230 nan 0.000 0.433 407 E N -0.294 119.899 120.200 -0.012 0.000 2.051 407 E HA -0.241 4.109 4.350 -0.001 0.000 0.192 407 E C 1.714 178.300 176.600 -0.024 0.000 0.991 407 E CA 1.454 57.856 56.400 0.003 0.000 0.799 407 E CB -0.073 29.658 29.700 0.052 0.000 0.748 407 E HN 0.528 nan 8.360 nan 0.000 0.449 408 D N 0.600 120.993 120.400 -0.012 0.000 2.117 408 D HA -0.120 4.520 4.640 -0.001 0.000 0.197 408 D C 1.932 178.135 176.300 -0.161 0.000 0.987 408 D CA 1.246 55.217 54.000 -0.048 0.000 0.829 408 D CB -0.284 40.496 40.800 -0.034 0.000 0.961 408 D HN 0.147 nan 8.370 nan 0.000 0.460 409 A N 0.653 123.271 122.820 -0.337 0.000 1.978 409 A HA -0.133 4.187 4.320 -0.001 0.000 0.220 409 A C 2.318 179.797 177.584 -0.175 0.000 1.170 409 A CA 0.962 52.793 52.037 -0.343 0.000 0.636 409 A CB -0.699 17.959 19.000 -0.570 0.000 0.810 409 A HN 0.239 nan 8.150 nan 0.000 0.448 410 L N -1.316 119.826 121.223 -0.134 0.000 2.418 410 L HA 0.004 4.344 4.340 -0.001 0.000 0.218 410 L C 2.649 179.485 176.870 -0.055 0.000 1.125 410 L CA 0.590 55.383 54.840 -0.078 0.000 0.835 410 L CB -0.220 41.803 42.059 -0.059 0.000 0.953 410 L HN 0.410 nan 8.230 nan 0.000 0.454 411 A N -1.087 121.701 122.820 -0.054 0.000 2.169 411 A HA 0.046 4.366 4.320 -0.001 0.000 0.212 411 A C 0.727 178.292 177.584 -0.032 0.000 1.153 411 A CA 0.040 52.058 52.037 -0.032 0.000 0.756 411 A CB 0.026 19.016 19.000 -0.016 0.000 0.813 411 A HN 0.214 nan 8.150 nan 0.000 0.471 412 K N 0.000 120.371 120.400 -0.048 0.000 2.780 412 K HA 0.000 4.320 4.320 -0.001 0.000 0.191 412 K CA 0.000 56.263 56.287 -0.040 0.000 0.838 412 K CB 0.000 32.483 32.500 -0.029 0.000 1.064 412 K HN 0.000 nan 8.250 nan 0.000 0.543