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 1tuo_1_A DATA FIRST_RESID 8 DATA SEQUENCE MSAPIRFGTE GFRGVIAREF TFATLHRLAE AYGRHLLERG GGLVVVGHDT DATA SEQUENCE RFLADAFARA LSGHLAGMGL KVVLLKGPVP TPLLSFAVRH LKAAGGAMLT DATA SEQUENCE ASHNPPQYLG VKFKDATGGP IAQEEAKAIE ALVPEEARAL EGAYETLDLR DATA SEQUENCE EAYFEALKAH LDLKALSGFS GVLYHDSMGG AGAGFLKGFL RHVGLEIPVR DATA SEQUENCE PIREEPHPLF HGVNPEPIPK NLGVTLAVLG PETPPSFAVA TDGDADRVGV DATA SEQUENCE VLPGGVFFNP HQVLTTLALY RFRKGHRGRA VKNFAVTWLL DRLGERLGFG DATA SEQUENCE VTTTPVGFKW IKEEFLKGDC FIGGEESGGV GYPEHLPERD GILTSLLLLE DATA SEQUENCE SVAATGKDLA EQFKEVEALT GLTHAYDRLD XXXXXXXXXX XXXXXRPLAG DATA SEQUENCE LTPKGVDTLD GVKWLYEEAW VLFRASXXXX XVRIYVEAQS PELVRALLEE DATA SEQUENCE ARKLVEG 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 8 M HA 0.000 nan 4.480 nan 0.000 0.227 8 M C 0.000 176.308 176.300 0.013 0.000 1.140 8 M CA 0.000 55.306 55.300 0.010 0.000 0.988 8 M CB 0.000 32.604 32.600 0.007 0.000 1.302 9 S N 0.999 116.705 115.700 0.010 0.000 2.569 9 S HA 0.483 4.954 4.470 0.002 0.000 0.274 9 S C 0.132 174.739 174.600 0.012 0.000 1.353 9 S CA 0.278 58.485 58.200 0.011 0.000 1.023 9 S CB 0.448 63.651 63.200 0.006 0.000 0.876 9 S HN 0.721 nan 8.310 nan 0.000 0.540 10 A N 5.269 128.098 122.820 0.016 0.000 2.515 10 A HA 0.364 4.685 4.320 0.002 0.000 0.263 10 A C -1.945 175.645 177.584 0.010 0.000 1.096 10 A CA -1.127 50.924 52.037 0.023 0.000 0.769 10 A CB -0.470 18.551 19.000 0.034 0.000 1.040 10 A HN 0.719 nan 8.150 nan 0.000 0.505 11 P HA 0.190 nan 4.420 nan 0.000 0.271 11 P C -0.659 176.654 177.300 0.021 0.000 1.226 11 P CA 0.222 63.328 63.100 0.010 0.000 0.765 11 P CB 0.624 32.337 31.700 0.020 0.000 0.835 12 I N 4.758 125.310 120.570 -0.029 0.000 2.276 12 I HA 0.220 4.391 4.170 0.002 0.000 0.290 12 I C 1.009 177.183 176.117 0.094 0.000 1.109 12 I CA -0.389 60.870 61.300 -0.068 0.000 1.229 12 I CB 0.151 37.978 38.000 -0.288 0.000 1.452 12 I HN 0.109 nan 8.210 nan 0.000 0.497 13 R N 5.947 126.592 120.500 0.242 0.000 2.312 13 R HA 0.518 4.859 4.340 0.002 0.000 0.311 13 R C -0.469 176.171 176.300 0.566 0.000 1.004 13 R CA -0.551 55.713 56.100 0.274 0.000 0.902 13 R CB 1.477 31.884 30.300 0.178 0.000 1.073 13 R HN 0.373 nan 8.270 nan 0.000 0.457 14 F N 0.023 120.077 119.950 0.173 0.000 2.403 14 F HA 0.324 4.853 4.527 0.002 0.000 0.320 14 F C 1.450 177.322 175.800 0.121 0.000 1.176 14 F CA -0.717 57.401 58.000 0.197 0.000 1.206 14 F CB 1.144 40.227 39.000 0.139 0.000 1.235 14 F HN 0.550 nan 8.300 nan 0.000 0.565 15 G N -0.016 108.930 108.800 0.244 0.000 3.171 15 G HA2 0.390 4.351 3.960 0.002 0.000 0.305 15 G HA3 0.390 4.351 3.960 0.002 0.000 0.305 15 G C -0.836 174.111 174.900 0.078 0.000 1.584 15 G CA -0.527 44.645 45.100 0.119 0.000 1.070 15 G HN 0.642 nan 8.290 nan 0.000 0.535 16 T N 1.263 115.882 114.554 0.107 0.000 3.032 16 T HA -0.157 4.195 4.350 0.002 0.000 0.453 16 T C 0.038 174.781 174.700 0.072 0.000 0.774 16 T CA 1.605 63.759 62.100 0.089 0.000 2.352 16 T CB -1.150 67.763 68.868 0.076 0.000 1.663 16 T HN 1.275 nan 8.240 nan 0.000 0.599 17 E N -1.186 119.080 120.200 0.110 0.000 7.439 17 E HA 0.198 4.549 4.350 0.002 0.000 0.300 17 E C 0.701 177.301 176.600 -0.000 0.000 0.813 17 E CA 2.167 58.624 56.400 0.095 0.000 1.419 17 E CB -1.215 28.519 29.700 0.056 0.000 0.921 17 E HN 1.898 nan 8.360 nan 0.000 0.266 18 G N 1.122 109.904 108.800 -0.030 0.000 2.725 18 G HA2 -0.021 3.940 3.960 0.002 0.000 0.220 18 G HA3 -0.021 3.940 3.960 0.002 0.000 0.220 18 G C -0.947 173.602 174.900 -0.585 0.000 1.357 18 G CA -0.329 44.533 45.100 -0.395 0.000 0.866 18 G HN 1.044 nan 8.290 nan 0.000 0.548 19 F N 0.941 120.477 119.950 -0.690 0.000 2.546 19 F HA 0.888 5.416 4.527 0.002 0.000 0.320 19 F C 0.125 175.801 175.800 -0.206 0.000 1.076 19 F CA -0.926 56.821 58.000 -0.421 0.000 0.928 19 F CB 1.921 40.689 39.000 -0.387 0.000 1.189 19 F HN 0.812 nan 8.300 nan 0.000 0.465 20 R N 2.803 122.672 120.500 -1.051 0.000 2.740 20 R HA 0.780 5.121 4.340 0.002 0.000 0.273 20 R C -1.433 174.330 176.300 -0.896 0.000 0.998 20 R CA -0.720 54.912 56.100 -0.780 0.000 0.900 20 R CB 2.135 32.163 30.300 -0.453 0.000 1.223 20 R HN 1.036 nan 8.270 nan 0.000 0.466 21 G N 0.801 109.340 108.800 -0.436 0.000 2.506 21 G HA2 0.318 4.280 3.960 0.002 0.000 0.292 21 G HA3 0.318 4.280 3.960 0.002 0.000 0.292 21 G C -1.753 173.110 174.900 -0.063 0.000 1.425 21 G CA -0.606 44.393 45.100 -0.168 0.000 0.788 21 G HN 0.379 nan 8.290 nan 0.000 0.490 22 V N 1.146 120.998 119.914 -0.102 0.000 2.498 22 V HA 0.277 4.399 4.120 0.002 0.000 0.279 22 V C 0.899 176.967 176.094 -0.043 0.000 1.048 22 V CA -0.354 61.792 62.300 -0.257 0.000 0.967 22 V CB 1.124 32.760 31.823 -0.313 0.000 0.988 22 V HN 0.550 nan 8.190 nan 0.000 0.473 23 I N 4.743 125.292 120.570 -0.035 0.000 2.826 23 I HA 0.086 4.258 4.170 0.002 0.000 0.295 23 I C 1.315 177.522 176.117 0.151 0.000 1.213 23 I CA 1.313 62.698 61.300 0.141 0.000 1.436 23 I CB 0.227 38.332 38.000 0.174 0.000 1.348 23 I HN 0.999 nan 8.210 nan 0.000 0.570 24 A N 4.118 127.074 122.820 0.226 0.000 3.383 24 A HA -0.273 4.048 4.320 0.002 0.000 0.264 24 A C 1.667 179.324 177.584 0.121 0.000 1.154 24 A CA 1.849 53.997 52.037 0.184 0.000 1.179 24 A CB -1.314 17.782 19.000 0.159 0.000 1.133 24 A HN 0.865 nan 8.150 nan 0.000 0.933 25 R N -1.011 119.549 120.500 0.099 0.000 1.835 25 R HA 0.311 4.652 4.340 0.002 0.000 0.162 25 R C 1.738 178.100 176.300 0.104 0.000 1.911 25 R CA 0.745 56.890 56.100 0.074 0.000 1.491 25 R CB -0.064 30.255 30.300 0.031 0.000 1.166 25 R HN 0.372 nan 8.270 nan 0.000 0.478 26 E N -0.262 120.013 120.200 0.126 0.000 2.190 26 E HA -0.005 4.346 4.350 0.002 0.000 0.191 26 E C -0.215 176.545 176.600 0.267 0.000 0.978 26 E CA 0.444 56.966 56.400 0.203 0.000 0.839 26 E CB 0.193 30.033 29.700 0.234 0.000 0.787 26 E HN 0.131 nan 8.360 nan 0.000 0.473 27 F N 2.412 122.402 119.950 0.067 0.000 2.351 27 F HA 0.213 4.741 4.527 0.002 0.000 0.362 27 F C 0.001 175.776 175.800 -0.042 0.000 1.131 27 F CA -0.416 57.581 58.000 -0.005 0.000 1.187 27 F CB 0.212 39.096 39.000 -0.194 0.000 1.434 27 F HN -0.181 nan 8.300 nan 0.000 0.553 28 T N -0.089 114.351 114.554 -0.190 0.000 2.927 28 T HA 0.350 4.701 4.350 0.002 0.000 0.286 28 T C 0.933 175.609 174.700 -0.040 0.000 1.040 28 T CA -0.529 61.586 62.100 0.024 0.000 1.010 28 T CB 0.918 69.857 68.868 0.119 0.000 1.177 28 T HN 0.250 nan 8.240 nan 0.000 0.546 29 F N 0.583 120.698 119.950 0.274 0.000 2.216 29 F HA 0.103 4.632 4.527 0.003 0.000 0.300 29 F C 2.900 178.801 175.800 0.168 0.000 1.085 29 F CA 1.355 59.506 58.000 0.251 0.000 1.326 29 F CB -0.702 38.426 39.000 0.213 0.000 1.027 29 F HN 0.787 nan 8.300 nan 0.000 0.497 30 A N -0.604 122.389 122.820 0.289 0.000 1.902 30 A HA -0.181 4.141 4.320 0.002 0.000 0.217 30 A C 2.250 179.876 177.584 0.070 0.000 1.181 30 A CA 2.309 54.464 52.037 0.197 0.000 0.623 30 A CB -1.252 17.827 19.000 0.132 0.000 0.818 30 A HN 0.310 nan 8.150 nan 0.000 0.443 31 T N 0.243 114.760 114.554 -0.062 0.000 2.857 31 T HA -0.051 4.300 4.350 0.002 0.000 0.266 31 T C 1.827 176.346 174.700 -0.302 0.000 1.048 31 T CA 1.019 62.995 62.100 -0.205 0.000 1.139 31 T CB -0.249 68.453 68.868 -0.276 0.000 0.874 31 T HN 0.313 nan 8.240 nan 0.000 0.455 32 L N 0.953 121.944 121.223 -0.388 0.000 2.042 32 L HA -0.150 4.191 4.340 0.002 0.000 0.210 32 L C 2.261 178.971 176.870 -0.266 0.000 1.076 32 L CA 2.070 56.660 54.840 -0.417 0.000 0.749 32 L CB -0.886 40.909 42.059 -0.439 0.000 0.893 32 L HN 0.368 nan 8.230 nan 0.000 0.432 33 H N 0.175 119.225 119.070 -0.033 0.000 2.423 33 H HA -0.059 4.499 4.556 0.002 0.000 0.297 33 H C 2.367 177.625 175.328 -0.118 0.000 1.075 33 H CA 1.139 57.170 56.048 -0.028 0.000 1.342 33 H CB 0.165 30.022 29.762 0.159 0.000 1.395 33 H HN 0.401 nan 8.280 nan 0.000 0.530 34 R N -0.103 120.412 120.500 0.025 0.000 2.075 34 R HA -0.089 4.252 4.340 0.002 0.000 0.232 34 R C 2.285 178.556 176.300 -0.048 0.000 1.126 34 R CA 0.717 56.811 56.100 -0.011 0.000 0.963 34 R CB -0.207 30.070 30.300 -0.039 0.000 0.858 34 R HN 0.089 nan 8.270 nan 0.000 0.435 35 L N 0.767 121.939 121.223 -0.085 0.000 2.093 35 L HA -0.025 4.316 4.340 0.002 0.000 0.208 35 L C 2.184 179.080 176.870 0.043 0.000 1.085 35 L CA 1.752 56.592 54.840 -0.000 0.000 0.755 35 L CB -0.618 41.421 42.059 -0.033 0.000 0.904 35 L HN 0.116 nan 8.230 nan 0.000 0.435 36 A N -0.709 122.055 122.820 -0.093 0.000 1.902 36 A HA -0.256 4.065 4.320 0.002 0.000 0.217 36 A C 2.260 179.756 177.584 -0.146 0.000 1.181 36 A CA 1.744 53.696 52.037 -0.142 0.000 0.623 36 A CB -0.705 18.016 19.000 -0.465 0.000 0.818 36 A HN 0.529 nan 8.150 nan 0.000 0.443 37 E N 0.168 120.233 120.200 -0.224 0.000 2.077 37 E HA -0.081 4.270 4.350 0.002 0.000 0.193 37 E C 2.035 178.669 176.600 0.056 0.000 0.989 37 E CA 1.617 58.023 56.400 0.010 0.000 0.800 37 E CB -0.444 29.308 29.700 0.087 0.000 0.746 37 E HN 0.482 nan 8.360 nan 0.000 0.452 38 A N -0.280 122.571 122.820 0.051 0.000 1.877 38 A HA -0.199 4.123 4.320 0.002 0.000 0.216 38 A C 2.239 179.885 177.584 0.103 0.000 1.186 38 A CA 1.669 53.742 52.037 0.060 0.000 0.620 38 A CB -1.109 17.920 19.000 0.049 0.000 0.822 38 A HN 0.522 nan 8.150 nan 0.000 0.443 39 Y N 0.920 121.198 120.300 -0.037 0.000 2.181 39 Y HA -0.049 4.502 4.550 0.002 0.000 0.288 39 Y C 2.493 178.403 175.900 0.018 0.000 1.146 39 Y CA 1.200 59.252 58.100 -0.081 0.000 1.164 39 Y CB -0.911 37.488 38.460 -0.101 0.000 0.982 39 Y HN 0.216 nan 8.280 nan 0.000 0.515 40 G N -0.020 108.779 108.800 -0.002 0.000 2.418 40 G HA2 -0.227 3.734 3.960 0.002 0.000 0.217 40 G HA3 -0.227 3.734 3.960 0.002 0.000 0.217 40 G C 1.824 176.687 174.900 -0.062 0.000 1.158 40 G CA 0.746 45.804 45.100 -0.070 0.000 0.771 40 G HN 0.351 nan 8.290 nan 0.000 0.545 41 R N -0.588 119.914 120.500 0.004 0.000 2.081 41 R HA -0.102 4.239 4.340 0.002 0.000 0.235 41 R C 2.337 178.629 176.300 -0.014 0.000 1.131 41 R CA 1.483 57.585 56.100 0.003 0.000 0.960 41 R CB -0.577 29.740 30.300 0.028 0.000 0.856 41 R HN 0.576 nan 8.270 nan 0.000 0.436 42 H N 1.003 120.012 119.070 -0.102 0.000 2.321 42 H HA -0.055 4.503 4.556 0.002 0.000 0.300 42 H C 1.899 177.136 175.328 -0.153 0.000 1.087 42 H CA 1.643 57.622 56.048 -0.115 0.000 1.319 42 H CB -0.193 29.504 29.762 -0.108 0.000 1.379 42 H HN 0.060 nan 8.280 nan 0.000 0.501 43 L N -0.348 120.663 121.223 -0.354 0.000 2.093 43 L HA -0.122 4.220 4.340 0.002 0.000 0.208 43 L C 2.535 179.247 176.870 -0.263 0.000 1.085 43 L CA 0.851 55.449 54.840 -0.404 0.000 0.755 43 L CB -0.326 41.481 42.059 -0.420 0.000 0.904 43 L HN 0.317 nan 8.230 nan 0.000 0.435 44 L N -0.444 120.671 121.223 -0.180 0.000 2.083 44 L HA -0.196 4.146 4.340 0.002 0.000 0.209 44 L C 2.693 179.494 176.870 -0.116 0.000 1.083 44 L CA 0.951 55.721 54.840 -0.116 0.000 0.752 44 L CB -0.525 41.492 42.059 -0.070 0.000 0.899 44 L HN 0.307 nan 8.230 nan 0.000 0.433 45 E N 1.021 121.140 120.200 -0.135 0.000 2.265 45 E HA -0.178 4.174 4.350 0.002 0.000 0.196 45 E C 1.643 178.160 176.600 -0.138 0.000 0.996 45 E CA 1.010 57.340 56.400 -0.116 0.000 0.832 45 E CB 0.188 29.827 29.700 -0.101 0.000 0.756 45 E HN 0.455 nan 8.360 nan 0.000 0.491 46 R N -1.322 119.059 120.500 -0.198 0.000 2.427 46 R HA 0.164 4.506 4.340 0.002 0.000 0.262 46 R C 0.874 177.101 176.300 -0.123 0.000 0.943 46 R CA 0.507 56.502 56.100 -0.174 0.000 1.081 46 R CB 0.729 30.878 30.300 -0.251 0.000 1.166 46 R HN 0.201 nan 8.270 nan 0.000 0.534 47 G N 0.075 108.812 108.800 -0.105 0.000 2.184 47 G HA2 -0.190 3.772 3.960 0.002 0.000 0.206 47 G HA3 -0.190 3.772 3.960 0.002 0.000 0.206 47 G C 0.566 175.422 174.900 -0.074 0.000 0.995 47 G CA -0.239 44.816 45.100 -0.075 0.000 0.651 47 G HN 0.662 nan 8.290 nan 0.000 0.511 48 G N -0.537 108.204 108.800 -0.098 0.000 2.564 48 G HA2 0.411 4.373 3.960 0.002 0.000 0.273 48 G HA3 0.411 4.373 3.960 0.002 0.000 0.273 48 G C 1.246 176.103 174.900 -0.072 0.000 1.242 48 G CA 1.587 46.635 45.100 -0.087 0.000 0.951 48 G HN 2.808 nan 8.290 nan 0.000 0.564 49 G N -2.587 106.185 108.800 -0.046 0.000 2.318 49 G HA2 0.470 4.432 3.960 0.002 0.000 0.367 49 G HA3 0.470 4.432 3.960 0.002 0.000 0.367 49 G C -0.714 174.179 174.900 -0.013 0.000 1.260 49 G CA 0.186 45.269 45.100 -0.029 0.000 1.055 49 G HN 2.222 nan 8.290 nan 0.000 0.484 50 L N 0.045 121.267 121.223 -0.000 0.000 2.334 50 L HA 0.819 5.161 4.340 0.002 0.000 0.277 50 L C -0.006 176.884 176.870 0.032 0.000 1.075 50 L CA -0.607 54.245 54.840 0.020 0.000 0.804 50 L CB 1.681 43.753 42.059 0.021 0.000 1.174 50 L HN 0.790 nan 8.230 nan 0.000 0.438 51 V N 5.226 125.174 119.914 0.056 0.000 2.588 51 V HA 0.516 4.638 4.120 0.002 0.000 0.304 51 V C -0.592 175.560 176.094 0.098 0.000 1.042 51 V CA -0.743 61.616 62.300 0.098 0.000 0.877 51 V CB 2.002 33.904 31.823 0.132 0.000 0.996 51 V HN 0.556 nan 8.190 nan 0.000 0.425 52 V N 5.066 125.042 119.914 0.102 0.000 2.435 52 V HA 0.578 4.699 4.120 0.002 0.000 0.290 52 V C -0.190 175.949 176.094 0.075 0.000 1.030 52 V CA -0.531 61.814 62.300 0.074 0.000 0.881 52 V CB 1.799 33.652 31.823 0.050 0.000 0.983 52 V HN 0.608 nan 8.190 nan 0.000 0.445 53 V N 3.372 123.315 119.914 0.049 0.000 2.628 53 V HA 0.959 5.080 4.120 0.002 0.000 0.306 53 V C 0.520 176.629 176.094 0.026 0.000 1.045 53 V CA -0.100 62.220 62.300 0.033 0.000 0.905 53 V CB 1.828 33.657 31.823 0.010 0.000 0.997 53 V HN 1.035 nan 8.190 nan 0.000 0.436 54 G N 1.861 110.668 108.800 0.011 0.000 2.694 54 G HA2 0.813 4.775 3.960 0.002 0.000 0.290 54 G HA3 0.813 4.775 3.960 0.002 0.000 0.290 54 G C -1.562 173.359 174.900 0.035 0.000 1.386 54 G CA -0.609 44.482 45.100 -0.015 0.000 0.872 54 G HN 1.118 nan 8.290 nan 0.000 0.475 55 H N -1.805 117.252 119.070 -0.023 0.000 3.008 55 H HA 0.729 5.287 4.556 0.002 0.000 0.354 55 H C -0.750 174.570 175.328 -0.013 0.000 1.252 55 H CA -0.759 55.277 56.048 -0.020 0.000 1.117 55 H CB 1.710 31.479 29.762 0.011 0.000 1.857 55 H HN 0.553 nan 8.280 nan 0.000 0.547 56 D N -0.323 120.147 120.400 0.118 0.000 2.509 56 D HA 0.146 4.787 4.640 0.002 0.000 0.275 56 D C 1.098 177.517 176.300 0.198 0.000 1.189 56 D CA 0.094 54.143 54.000 0.083 0.000 1.098 56 D CB -0.487 40.357 40.800 0.073 0.000 1.177 56 D HN 0.722 nan 8.370 nan 0.000 0.599 57 T N -3.865 110.780 114.554 0.152 0.000 3.122 57 T HA 0.226 4.577 4.350 0.002 0.000 0.250 57 T C 0.733 175.444 174.700 0.019 0.000 1.067 57 T CA -0.478 61.673 62.100 0.085 0.000 0.966 57 T CB -0.302 68.572 68.868 0.010 0.000 1.002 57 T HN 0.195 nan 8.240 nan 0.000 0.542 58 R N 0.516 121.080 120.500 0.108 0.000 2.734 58 R HA 0.301 4.642 4.340 0.002 0.000 0.266 58 R C -0.204 176.165 176.300 0.114 0.000 1.044 58 R CA -0.655 55.517 56.100 0.119 0.000 1.128 58 R CB 0.140 30.537 30.300 0.161 0.000 1.010 58 R HN 0.314 nan 8.270 nan 0.000 0.461 59 F N 3.138 123.088 119.950 0.001 0.000 2.602 59 F HA -0.066 4.463 4.527 0.002 0.000 0.385 59 F C 1.051 176.895 175.800 0.072 0.000 1.063 59 F CA 0.724 58.729 58.000 0.008 0.000 1.233 59 F CB 0.082 39.087 39.000 0.009 0.000 1.067 59 F HN 0.561 nan 8.300 nan 0.000 0.564 60 L N 3.589 124.492 121.223 -0.534 0.000 5.051 60 L HA -0.392 3.949 4.340 0.002 0.000 0.432 60 L C 1.669 178.495 176.870 -0.073 0.000 1.055 60 L CA 0.526 55.133 54.840 -0.388 0.000 1.095 60 L CB -1.911 39.933 42.059 -0.359 0.000 1.957 60 L HN 0.796 nan 8.230 nan 0.000 0.727 61 A N 0.813 123.652 122.820 0.032 0.000 1.940 61 A HA -0.244 4.077 4.320 0.002 0.000 0.219 61 A C 1.878 179.381 177.584 -0.135 0.000 1.176 61 A CA 2.109 54.208 52.037 0.104 0.000 0.631 61 A CB -0.333 18.732 19.000 0.108 0.000 0.814 61 A HN 0.757 nan 8.150 nan 0.000 0.446 62 D N 0.546 120.671 120.400 -0.458 0.000 2.097 62 D HA -0.057 4.585 4.640 0.002 0.000 0.195 62 D C 1.864 177.987 176.300 -0.296 0.000 0.989 62 D CA 1.634 55.160 54.000 -0.789 0.000 0.827 62 D CB -0.927 39.498 40.800 -0.625 0.000 0.966 62 D HN 0.388 nan 8.370 nan 0.000 0.456 63 A N -0.005 122.696 122.820 -0.198 0.000 1.902 63 A HA -0.035 4.286 4.320 0.002 0.000 0.217 63 A C 2.244 179.867 177.584 0.065 0.000 1.181 63 A CA 0.970 52.961 52.037 -0.075 0.000 0.623 63 A CB -1.194 17.748 19.000 -0.096 0.000 0.818 63 A HN 0.253 nan 8.150 nan 0.000 0.443 64 F N 0.061 120.041 119.950 0.049 0.000 2.186 64 F HA -0.113 4.415 4.527 0.003 0.000 0.299 64 F C 2.794 178.588 175.800 -0.010 0.000 1.090 64 F CA 0.829 58.811 58.000 -0.029 0.000 1.307 64 F CB -0.138 38.808 39.000 -0.089 0.000 1.019 64 F HN 0.282 nan 8.300 nan 0.000 0.489 65 A N 0.305 123.215 122.820 0.150 0.000 1.930 65 A HA -0.159 4.162 4.320 0.002 0.000 0.217 65 A C 2.217 179.818 177.584 0.029 0.000 1.175 65 A CA 1.296 53.382 52.037 0.082 0.000 0.627 65 A CB -0.561 18.505 19.000 0.109 0.000 0.815 65 A HN 0.277 nan 8.150 nan 0.000 0.443 66 R N -0.571 119.958 120.500 0.048 0.000 2.092 66 R HA -0.053 4.288 4.340 0.002 0.000 0.231 66 R C 2.479 178.838 176.300 0.099 0.000 1.119 66 R CA 1.130 57.274 56.100 0.074 0.000 0.970 66 R CB -0.433 29.957 30.300 0.150 0.000 0.864 66 R HN 0.513 nan 8.270 nan 0.000 0.440 67 A N 1.351 124.265 122.820 0.156 0.000 1.902 67 A HA -0.154 4.167 4.320 0.002 0.000 0.217 67 A C 2.087 179.758 177.584 0.145 0.000 1.181 67 A CA 1.037 53.200 52.037 0.209 0.000 0.623 67 A CB -0.439 18.729 19.000 0.279 0.000 0.818 67 A HN 0.235 nan 8.150 nan 0.000 0.443 68 L N -0.004 121.257 121.223 0.063 0.000 2.056 68 L HA -0.083 4.258 4.340 0.002 0.000 0.207 68 L C 2.450 179.354 176.870 0.057 0.000 1.078 68 L CA 2.591 57.460 54.840 0.049 0.000 0.749 68 L CB -0.731 41.346 42.059 0.029 0.000 0.901 68 L HN 0.280 nan 8.230 nan 0.000 0.433 69 S N -0.026 115.616 115.700 -0.096 0.000 2.356 69 S HA -0.114 4.358 4.470 0.002 0.000 0.223 69 S C 1.911 176.408 174.600 -0.171 0.000 1.032 69 S CA 1.163 59.168 58.200 -0.326 0.000 1.005 69 S CB -1.124 61.489 63.200 -0.978 0.000 0.867 69 S HN 0.698 nan 8.310 nan 0.000 0.449 70 G N 0.370 109.175 108.800 0.009 0.000 2.418 70 G HA2 -0.265 3.697 3.960 0.002 0.000 0.217 70 G HA3 -0.265 3.697 3.960 0.002 0.000 0.217 70 G C 1.142 176.196 174.900 0.257 0.000 1.158 70 G CA 1.205 46.489 45.100 0.307 0.000 0.771 70 G HN 0.641 nan 8.290 nan 0.000 0.545 71 H N 0.108 119.288 119.070 0.183 0.000 2.321 71 H HA 0.065 4.622 4.556 0.003 0.000 0.300 71 H C 2.613 178.026 175.328 0.141 0.000 1.087 71 H CA 1.333 57.497 56.048 0.194 0.000 1.319 71 H CB -0.083 29.841 29.762 0.270 0.000 1.379 71 H HN 0.273 nan 8.280 nan 0.000 0.501 72 L N -0.190 121.229 121.223 0.326 0.000 2.046 72 L HA -0.157 4.185 4.340 0.002 0.000 0.208 72 L C 2.887 179.851 176.870 0.156 0.000 1.077 72 L CA 0.869 55.842 54.840 0.222 0.000 0.747 72 L CB -0.570 41.590 42.059 0.170 0.000 0.896 72 L HN 0.420 nan 8.230 nan 0.000 0.432 73 A N 0.376 123.291 122.820 0.158 0.000 1.933 73 A HA -0.123 4.198 4.320 0.002 0.000 0.218 73 A C 2.366 180.017 177.584 0.111 0.000 1.175 73 A CA 1.676 53.802 52.037 0.149 0.000 0.628 73 A CB -1.168 17.972 19.000 0.234 0.000 0.814 73 A HN 0.446 nan 8.150 nan 0.000 0.444 74 G N -1.108 107.753 108.800 0.102 0.000 2.509 74 G HA2 -0.094 3.867 3.960 0.002 0.000 0.218 74 G HA3 -0.094 3.867 3.960 0.002 0.000 0.218 74 G C 1.440 176.357 174.900 0.029 0.000 1.124 74 G CA 0.926 46.050 45.100 0.041 0.000 0.776 74 G HN 0.495 nan 8.290 nan 0.000 0.547 75 M N -0.238 119.402 119.600 0.066 0.000 2.541 75 M HA 0.240 4.722 4.480 0.002 0.000 0.252 75 M C 1.829 178.152 176.300 0.038 0.000 1.125 75 M CA 0.857 56.194 55.300 0.061 0.000 1.091 75 M CB 0.668 33.335 32.600 0.112 0.000 1.420 75 M HN 0.357 nan 8.290 nan 0.000 0.486 76 G N -0.023 108.802 108.800 0.040 0.000 2.229 76 G HA2 -0.125 3.836 3.960 0.002 0.000 0.189 76 G HA3 -0.125 3.836 3.960 0.002 0.000 0.189 76 G C -0.111 174.802 174.900 0.022 0.000 1.000 76 G CA -0.701 44.414 45.100 0.025 0.000 0.663 76 G HN 0.167 nan 8.290 nan 0.000 0.493 77 L N 1.099 122.340 121.223 0.029 0.000 2.395 77 L HA 0.479 4.820 4.340 0.002 0.000 0.269 77 L C 0.849 177.747 176.870 0.046 0.000 1.133 77 L CA -0.211 54.640 54.840 0.019 0.000 0.812 77 L CB 1.171 43.234 42.059 0.007 0.000 1.125 77 L HN 0.284 nan 8.230 nan 0.000 0.452 78 K N 1.440 121.864 120.400 0.040 0.000 2.276 78 K HA 0.501 4.823 4.320 0.002 0.000 0.283 78 K C -1.157 175.488 176.600 0.076 0.000 1.044 78 K CA -0.381 55.942 56.287 0.060 0.000 0.944 78 K CB 0.984 33.511 32.500 0.044 0.000 1.012 78 K HN 0.371 nan 8.250 nan 0.000 0.472 79 V N 4.145 124.127 119.914 0.114 0.000 2.735 79 V HA 0.417 4.539 4.120 0.002 0.000 0.310 79 V C -0.887 175.295 176.094 0.147 0.000 1.061 79 V CA -0.976 61.393 62.300 0.114 0.000 0.913 79 V CB 2.022 33.901 31.823 0.093 0.000 1.005 79 V HN 0.530 nan 8.190 nan 0.000 0.428 80 V N 4.996 124.974 119.914 0.108 0.000 2.483 80 V HA 0.466 4.587 4.120 0.002 0.000 0.297 80 V C -0.719 175.431 176.094 0.094 0.000 1.027 80 V CA -0.510 61.865 62.300 0.125 0.000 0.855 80 V CB 1.725 33.606 31.823 0.097 0.000 0.995 80 V HN 0.683 nan 8.190 nan 0.000 0.424 81 L N 6.540 127.843 121.223 0.134 0.000 2.282 81 L HA 0.599 4.940 4.340 0.002 0.000 0.288 81 L C -0.406 176.535 176.870 0.119 0.000 1.033 81 L CA 0.113 55.010 54.840 0.094 0.000 0.807 81 L CB 1.186 43.307 42.059 0.104 0.000 1.209 81 L HN 0.524 nan 8.230 nan 0.000 0.423 82 L N 4.639 125.910 121.223 0.079 0.000 2.380 82 L HA 0.263 4.605 4.340 0.002 0.000 0.273 82 L C 0.571 177.482 176.870 0.068 0.000 1.138 82 L CA -0.279 54.595 54.840 0.058 0.000 0.832 82 L CB 0.389 42.452 42.059 0.006 0.000 1.124 82 L HN 0.653 nan 8.230 nan 0.000 0.454 83 K N 2.961 123.406 120.400 0.075 0.000 2.412 83 K HA 0.341 4.663 4.320 0.002 0.000 0.284 83 K C 0.439 177.076 176.600 0.062 0.000 1.046 83 K CA 0.629 56.969 56.287 0.089 0.000 0.999 83 K CB 0.344 32.892 32.500 0.080 0.000 0.941 83 K HN 0.806 nan 8.250 nan 0.000 0.474 84 G N 4.502 113.367 108.800 0.109 0.000 2.877 84 G HA2 -0.215 3.746 3.960 0.002 0.000 0.279 84 G HA3 -0.215 3.746 3.960 0.002 0.000 0.279 84 G C -2.651 172.157 174.900 -0.154 0.000 1.431 84 G CA -0.673 44.479 45.100 0.087 0.000 0.883 84 G HN 0.595 nan 8.290 nan 0.000 0.547 85 P HA 0.450 nan 4.420 nan 0.000 0.271 85 P C 0.135 177.357 177.300 -0.130 0.000 1.216 85 P CA 0.570 63.531 63.100 -0.231 0.000 0.776 85 P CB 1.258 32.975 31.700 0.029 0.000 0.881 86 V N -0.067 119.716 119.914 -0.219 0.000 3.007 86 V HA 0.656 4.778 4.120 0.002 0.000 0.311 86 V C -2.950 172.977 176.094 -0.279 0.000 1.120 86 V CA -3.266 58.920 62.300 -0.190 0.000 0.980 86 V CB 1.683 33.401 31.823 -0.176 0.000 1.033 86 V HN 0.235 nan 8.190 nan 0.000 0.429 87 P HA 0.321 nan 4.420 nan 0.000 0.275 87 P C 0.903 178.017 177.300 -0.309 0.000 1.228 87 P CA 0.101 62.953 63.100 -0.413 0.000 0.786 87 P CB 0.817 32.140 31.700 -0.629 0.000 0.927 88 T N 3.622 118.049 114.554 -0.212 0.000 2.665 88 T HA -0.098 4.253 4.350 0.002 0.000 0.268 88 T C -0.761 173.840 174.700 -0.165 0.000 1.035 88 T CA 2.200 64.198 62.100 -0.171 0.000 1.151 88 T CB -1.629 67.150 68.868 -0.148 0.000 0.862 88 T HN 0.576 nan 8.240 nan 0.000 0.438 89 P HA -0.047 nan 4.420 nan 0.000 0.219 89 P C 1.685 178.867 177.300 -0.197 0.000 1.146 89 P CA 0.807 63.856 63.100 -0.085 0.000 0.808 89 P CB -0.141 31.591 31.700 0.052 0.000 0.779 90 L N -0.331 120.589 121.223 -0.504 0.000 2.056 90 L HA -0.068 4.273 4.340 0.002 0.000 0.207 90 L C 2.321 179.107 176.870 -0.140 0.000 1.078 90 L CA 1.539 56.020 54.840 -0.599 0.000 0.749 90 L CB -1.598 40.055 42.059 -0.677 0.000 0.901 90 L HN -0.135 nan 8.230 nan 0.000 0.433 91 L N -1.128 120.012 121.223 -0.139 0.000 2.017 91 L HA -0.158 4.183 4.340 0.002 0.000 0.208 91 L C 2.315 179.176 176.870 -0.015 0.000 1.073 91 L CA 2.127 56.929 54.840 -0.062 0.000 0.745 91 L CB -0.878 41.131 42.059 -0.082 0.000 0.894 91 L HN 0.378 nan 8.230 nan 0.000 0.432 92 S N 0.047 115.740 115.700 -0.012 0.000 2.382 92 S HA -0.209 4.262 4.470 0.002 0.000 0.228 92 S C 1.695 176.334 174.600 0.065 0.000 1.027 92 S CA 1.506 59.719 58.200 0.023 0.000 0.991 92 S CB -0.537 62.672 63.200 0.015 0.000 0.823 92 S HN 0.603 nan 8.310 nan 0.000 0.469 93 F N 2.777 122.719 119.950 -0.014 0.000 2.134 93 F HA -0.052 4.477 4.527 0.002 0.000 0.299 93 F C 2.269 178.124 175.800 0.092 0.000 1.097 93 F CA 1.017 59.053 58.000 0.059 0.000 1.264 93 F CB -0.842 38.254 39.000 0.160 0.000 1.001 93 F HN 0.161 nan 8.300 nan 0.000 0.479 94 A N 0.268 122.984 122.820 -0.173 0.000 1.940 94 A HA -0.139 4.183 4.320 0.002 0.000 0.219 94 A C 2.335 179.826 177.584 -0.155 0.000 1.176 94 A CA 2.035 53.942 52.037 -0.218 0.000 0.631 94 A CB -1.475 17.518 19.000 -0.012 0.000 0.814 94 A HN 0.322 nan 8.150 nan 0.000 0.446 95 V N -0.054 119.813 119.914 -0.078 0.000 2.287 95 V HA -0.278 3.843 4.120 0.002 0.000 0.248 95 V C 2.693 178.753 176.094 -0.056 0.000 1.053 95 V CA 2.446 64.728 62.300 -0.030 0.000 1.027 95 V CB -0.744 31.089 31.823 0.017 0.000 0.646 95 V HN 0.692 nan 8.190 nan 0.000 0.447 96 R N -1.159 119.289 120.500 -0.087 0.000 2.073 96 R HA -0.159 4.182 4.340 0.002 0.000 0.229 96 R C 2.515 178.746 176.300 -0.115 0.000 1.120 96 R CA 1.437 57.496 56.100 -0.067 0.000 0.967 96 R CB -0.457 29.831 30.300 -0.019 0.000 0.862 96 R HN 0.671 nan 8.270 nan 0.000 0.436 97 H N 0.530 119.360 119.070 -0.401 0.000 2.387 97 H HA -0.082 4.475 4.556 0.002 0.000 0.299 97 H C 1.526 176.740 175.328 -0.191 0.000 1.090 97 H CA 1.518 57.328 56.048 -0.396 0.000 1.332 97 H CB 0.161 29.392 29.762 -0.885 0.000 1.386 97 H HN 0.230 nan 8.280 nan 0.000 0.516 98 L N 0.682 121.821 121.223 -0.140 0.000 2.591 98 L HA 0.027 4.368 4.340 0.002 0.000 0.228 98 L C 0.528 177.350 176.870 -0.079 0.000 1.133 98 L CA 0.199 54.979 54.840 -0.100 0.000 0.880 98 L CB 0.123 42.172 42.059 -0.018 0.000 1.033 98 L HN 0.143 nan 8.230 nan 0.000 0.450 99 K N -0.104 120.248 120.400 -0.081 0.000 3.077 99 K HA -0.191 4.131 4.320 0.002 0.000 0.264 99 K C 0.330 176.916 176.600 -0.023 0.000 1.008 99 K CA 0.395 56.654 56.287 -0.047 0.000 0.740 99 K CB -1.690 30.780 32.500 -0.050 0.000 1.273 99 K HN 0.360 nan 8.250 nan 0.000 0.477 100 A N 0.215 123.027 122.820 -0.012 0.000 2.287 100 A HA 0.611 4.932 4.320 0.002 0.000 0.273 100 A C 1.458 179.052 177.584 0.016 0.000 1.091 100 A CA 0.362 52.404 52.037 0.008 0.000 0.817 100 A CB 0.656 19.671 19.000 0.025 0.000 1.069 100 A HN 0.451 nan 8.150 nan 0.000 0.492 101 A N 0.115 122.945 122.820 0.016 0.000 2.067 101 A HA 0.486 4.807 4.320 0.002 0.000 0.217 101 A C 1.134 178.750 177.584 0.053 0.000 1.156 101 A CA 1.564 53.607 52.037 0.009 0.000 0.683 101 A CB -0.513 18.468 19.000 -0.032 0.000 0.808 101 A HN 2.251 nan 8.150 nan 0.000 0.455 102 G N -3.514 105.343 108.800 0.095 0.000 2.342 102 G HA2 0.557 4.518 3.960 0.002 0.000 0.297 102 G HA3 0.557 4.518 3.960 0.002 0.000 0.297 102 G C -0.612 174.418 174.900 0.217 0.000 1.313 102 G CA 0.044 45.255 45.100 0.185 0.000 0.830 102 G HN 1.049 nan 8.290 nan 0.000 0.506 103 G N -1.617 107.344 108.800 0.269 0.000 2.690 103 G HA2 0.897 4.859 3.960 0.002 0.000 0.293 103 G HA3 0.897 4.859 3.960 0.002 0.000 0.293 103 G C -1.026 173.991 174.900 0.194 0.000 1.399 103 G CA 0.420 45.641 45.100 0.203 0.000 0.890 103 G HN 1.835 nan 8.290 nan 0.000 0.485 104 A N 0.505 123.379 122.820 0.089 0.000 2.374 104 A HA 0.773 5.094 4.320 0.002 0.000 0.305 104 A C -0.819 176.680 177.584 -0.142 0.000 1.053 104 A CA -0.631 51.340 52.037 -0.109 0.000 0.726 104 A CB 1.887 20.836 19.000 -0.085 0.000 1.229 104 A HN 0.973 nan 8.150 nan 0.000 0.431 105 M N 3.584 123.038 119.600 -0.242 0.000 2.253 105 M HA 0.491 4.973 4.480 0.002 0.000 0.314 105 M C -1.637 174.539 176.300 -0.206 0.000 1.019 105 M CA -0.634 54.562 55.300 -0.175 0.000 0.932 105 M CB 1.180 33.683 32.600 -0.163 0.000 1.606 105 M HN 0.475 nan 8.290 nan 0.000 0.430 106 L N 4.638 125.795 121.223 -0.110 0.000 2.295 106 L HA 0.522 4.863 4.340 0.002 0.000 0.288 106 L C -0.118 176.682 176.870 -0.116 0.000 1.079 106 L CA 0.361 55.135 54.840 -0.111 0.000 0.830 106 L CB -0.391 41.678 42.059 0.017 0.000 1.200 106 L HN 0.935 nan 8.230 nan 0.000 0.438 107 T N 1.801 116.229 114.554 -0.209 0.000 2.827 107 T HA 0.601 4.952 4.350 0.002 0.000 0.328 107 T C -0.495 174.051 174.700 -0.256 0.000 1.598 107 T CA 0.204 62.197 62.100 -0.179 0.000 1.043 107 T CB 1.588 70.374 68.868 -0.136 0.000 1.447 107 T HN 0.487 nan 8.240 nan 0.000 0.491 108 A N 1.911 124.599 122.820 -0.220 0.000 2.610 108 A HA 0.703 5.025 4.320 0.002 0.000 0.291 108 A C 1.197 178.605 177.584 -0.294 0.000 1.116 108 A CA 1.089 52.961 52.037 -0.276 0.000 0.963 108 A CB -0.603 18.256 19.000 -0.235 0.000 1.220 108 A HN 1.695 nan 8.150 nan 0.000 0.530 109 S N 0.690 116.261 115.700 -0.215 0.000 4.155 109 S HA -0.424 4.047 4.470 0.002 0.000 0.539 109 S C 1.258 175.736 174.600 -0.203 0.000 1.841 109 S CA 3.093 61.188 58.200 -0.174 0.000 4.215 109 S CB -1.401 61.718 63.200 -0.135 0.000 0.531 109 S HN 1.706 nan 8.310 nan 0.000 0.461 110 H N 1.877 120.829 119.070 -0.197 0.000 2.529 110 H HA 0.549 5.106 4.556 0.003 0.000 0.277 110 H C 0.635 175.818 175.328 -0.241 0.000 1.004 110 H CA 0.019 55.934 56.048 -0.222 0.000 1.167 110 H CB -0.418 29.248 29.762 -0.160 0.000 1.445 110 H HN 0.211 nan 8.280 nan 0.000 0.554 111 N N 2.121 120.455 118.700 -0.610 0.000 2.399 111 N HA 0.109 4.850 4.740 0.002 0.000 0.250 111 N C -2.315 173.069 175.510 -0.210 0.000 1.272 111 N CA -1.524 51.251 53.050 -0.459 0.000 0.928 111 N CB 0.402 38.541 38.487 -0.580 0.000 1.158 111 N HN 0.193 nan 8.380 nan 0.000 0.463 112 P HA 0.040 nan 4.420 nan 0.000 0.267 112 P C -1.651 175.750 177.300 0.169 0.000 1.201 112 P CA -0.578 62.576 63.100 0.090 0.000 0.775 112 P CB 0.036 31.853 31.700 0.196 0.000 0.854 113 P HA -0.250 nan 4.420 nan 0.000 0.217 113 P C 1.415 178.796 177.300 0.136 0.000 1.151 113 P CA 1.568 64.833 63.100 0.274 0.000 0.849 113 P CB -0.378 31.475 31.700 0.255 0.000 0.787 114 Q N -1.415 118.392 119.800 0.011 0.000 2.436 114 Q HA -0.125 4.216 4.340 0.002 0.000 0.209 114 Q C -0.028 175.814 176.000 -0.263 0.000 0.965 114 Q CA 0.991 56.704 55.803 -0.150 0.000 0.910 114 Q CB -0.816 27.755 28.738 -0.278 0.000 0.980 114 Q HN 0.297 nan 8.270 nan 0.000 0.491 115 Y N 0.291 120.536 120.300 -0.091 0.000 2.376 115 Y HA 0.519 5.071 4.550 0.003 0.000 0.325 115 Y C 0.115 175.841 175.900 -0.291 0.000 1.199 115 Y CA -0.983 56.998 58.100 -0.198 0.000 1.206 115 Y CB 1.101 39.423 38.460 -0.230 0.000 1.229 115 Y HN 0.010 nan 8.280 nan 0.000 0.480 116 L N 0.617 121.619 121.223 -0.367 0.000 2.491 116 L HA 0.930 5.271 4.340 0.002 0.000 0.254 116 L C -0.474 175.740 176.870 -1.093 0.000 1.048 116 L CA -0.430 53.966 54.840 -0.740 0.000 0.855 116 L CB 2.348 43.810 42.059 -0.996 0.000 1.466 116 L HN 0.732 nan 8.230 nan 0.000 0.409 117 G N 0.099 108.273 108.800 -1.043 0.000 2.495 117 G HA2 0.568 4.529 3.960 0.002 0.000 0.294 117 G HA3 0.568 4.529 3.960 0.002 0.000 0.294 117 G C -2.267 172.379 174.900 -0.424 0.000 1.397 117 G CA -0.349 44.331 45.100 -0.701 0.000 0.790 117 G HN 0.529 nan 8.290 nan 0.000 0.486 118 V N 0.716 120.451 119.914 -0.299 0.000 2.487 118 V HA 0.553 4.674 4.120 0.002 0.000 0.298 118 V C -0.410 175.273 176.094 -0.685 0.000 1.028 118 V CA -0.817 61.197 62.300 -0.477 0.000 0.860 118 V CB 1.633 33.138 31.823 -0.529 0.000 0.991 118 V HN 0.620 nan 8.190 nan 0.000 0.427 119 K N 4.444 124.465 120.400 -0.633 0.000 2.358 119 K HA 0.609 4.930 4.320 0.002 0.000 0.260 119 K C -1.375 174.901 176.600 -0.539 0.000 0.956 119 K CA -0.420 55.565 56.287 -0.503 0.000 0.834 119 K CB 1.804 34.130 32.500 -0.290 0.000 1.102 119 K HN 0.426 nan 8.250 nan 0.000 0.431 120 F N 2.348 122.193 119.950 -0.174 0.000 2.385 120 F HA 0.357 4.885 4.527 0.002 0.000 0.336 120 F C 0.643 176.413 175.800 -0.051 0.000 1.100 120 F CA -0.517 57.387 58.000 -0.159 0.000 1.116 120 F CB 0.871 39.754 39.000 -0.195 0.000 1.166 120 F HN 0.073 nan 8.300 nan 0.000 0.511 121 K N 1.606 122.126 120.400 0.200 0.000 2.318 121 K HA 0.352 4.673 4.320 0.002 0.000 0.249 121 K C -0.909 175.797 176.600 0.176 0.000 0.942 121 K CA -0.887 55.484 56.287 0.140 0.000 0.808 121 K CB 1.938 34.488 32.500 0.083 0.000 1.189 121 K HN 0.615 nan 8.250 nan 0.000 0.428 122 D N -0.312 120.171 120.400 0.139 0.000 2.529 122 D HA 0.298 4.939 4.640 0.002 0.000 0.273 122 D C 0.908 177.266 176.300 0.098 0.000 1.197 122 D CA -0.635 53.443 54.000 0.131 0.000 1.070 122 D CB 0.286 41.152 40.800 0.110 0.000 1.134 122 D HN 0.326 nan 8.370 nan 0.000 0.590 123 A N -0.742 122.124 122.820 0.077 0.000 2.076 123 A HA -0.132 4.190 4.320 0.002 0.000 0.220 123 A C 1.925 179.539 177.584 0.050 0.000 1.160 123 A CA 2.350 54.419 52.037 0.054 0.000 0.653 123 A CB -1.444 17.578 19.000 0.037 0.000 0.801 123 A HN 0.739 nan 8.150 nan 0.000 0.455 124 T N -4.038 110.554 114.554 0.063 0.000 3.118 124 T HA 0.352 4.704 4.350 0.002 0.000 0.260 124 T C 1.270 176.015 174.700 0.074 0.000 1.139 124 T CA 1.054 63.196 62.100 0.070 0.000 1.085 124 T CB -0.338 68.580 68.868 0.082 0.000 0.934 124 T HN 1.792 nan 8.240 nan 0.000 0.518 125 G N -0.084 108.757 108.800 0.067 0.000 2.248 125 G HA2 0.240 4.201 3.960 0.002 0.000 0.252 125 G HA3 0.240 4.201 3.960 0.002 0.000 0.252 125 G C 0.178 175.122 174.900 0.073 0.000 1.085 125 G CA -0.307 44.829 45.100 0.060 0.000 0.845 125 G HN 1.216 nan 8.290 nan 0.000 0.494 126 G N -0.789 108.061 108.800 0.084 0.000 2.682 126 G HA2 0.868 4.829 3.960 0.002 0.000 0.290 126 G HA3 0.868 4.829 3.960 0.002 0.000 0.290 126 G C -3.009 171.947 174.900 0.094 0.000 1.425 126 G CA -0.588 44.572 45.100 0.100 0.000 0.807 126 G HN 0.268 nan 8.290 nan 0.000 0.482 127 P HA 0.158 nan 4.420 nan 0.000 0.265 127 P C 0.683 178.044 177.300 0.101 0.000 1.193 127 P CA 0.104 63.261 63.100 0.094 0.000 0.765 127 P CB 0.667 32.435 31.700 0.113 0.000 0.823 128 I N -0.160 120.479 120.570 0.114 0.000 2.813 128 I HA 0.299 4.471 4.170 0.002 0.000 0.287 128 I C 0.519 176.671 176.117 0.059 0.000 1.196 128 I CA -0.674 60.689 61.300 0.105 0.000 1.421 128 I CB 0.127 38.211 38.000 0.140 0.000 1.365 128 I HN 0.276 nan 8.210 nan 0.000 0.591 129 A N 4.170 127.004 122.820 0.024 0.000 2.346 129 A HA 0.119 4.440 4.320 0.002 0.000 0.252 129 A C 1.161 178.724 177.584 -0.035 0.000 1.089 129 A CA -0.148 51.868 52.037 -0.035 0.000 0.797 129 A CB 0.643 19.610 19.000 -0.055 0.000 1.047 129 A HN 0.963 nan 8.150 nan 0.000 0.494 130 Q N -0.520 119.227 119.800 -0.088 0.000 2.096 130 Q HA -0.245 4.096 4.340 0.002 0.000 0.204 130 Q C 1.332 177.300 176.000 -0.053 0.000 0.982 130 Q CA 2.371 58.133 55.803 -0.067 0.000 0.850 130 Q CB -0.126 28.538 28.738 -0.123 0.000 0.901 130 Q HN 0.843 nan 8.270 nan 0.000 0.422 131 E N 0.641 120.802 120.200 -0.065 0.000 2.085 131 E HA -0.221 4.131 4.350 0.002 0.000 0.194 131 E C 1.638 178.209 176.600 -0.048 0.000 0.994 131 E CA 1.589 57.957 56.400 -0.053 0.000 0.801 131 E CB -0.126 29.547 29.700 -0.044 0.000 0.743 131 E HN 0.508 nan 8.360 nan 0.000 0.453 132 E N -0.029 120.152 120.200 -0.033 0.000 2.107 132 E HA -0.099 4.252 4.350 0.002 0.000 0.191 132 E C 1.924 178.444 176.600 -0.133 0.000 0.982 132 E CA 0.894 57.258 56.400 -0.059 0.000 0.809 132 E CB -0.090 29.623 29.700 0.022 0.000 0.756 132 E HN 0.237 nan 8.360 nan 0.000 0.459 133 A N 1.357 124.160 122.820 -0.029 0.000 1.902 133 A HA -0.184 4.137 4.320 0.002 0.000 0.217 133 A C 2.063 179.589 177.584 -0.096 0.000 1.181 133 A CA 1.409 53.484 52.037 0.062 0.000 0.623 133 A CB -0.351 18.749 19.000 0.167 0.000 0.818 133 A HN 0.052 nan 8.150 nan 0.000 0.443 134 K N -0.118 120.211 120.400 -0.117 0.000 2.097 134 K HA -0.015 4.307 4.320 0.002 0.000 0.205 134 K C 2.258 178.727 176.600 -0.218 0.000 1.050 134 K CA 1.279 57.462 56.287 -0.174 0.000 0.938 134 K CB -0.790 31.646 32.500 -0.106 0.000 0.718 134 K HN 0.456 nan 8.250 nan 0.000 0.442 135 A N 1.343 124.045 122.820 -0.197 0.000 1.902 135 A HA -0.126 4.195 4.320 0.002 0.000 0.217 135 A C 2.286 179.707 177.584 -0.271 0.000 1.181 135 A CA 1.281 53.203 52.037 -0.192 0.000 0.623 135 A CB -0.548 18.364 19.000 -0.146 0.000 0.818 135 A HN 0.202 nan 8.150 nan 0.000 0.443 136 I N -0.745 119.587 120.570 -0.396 0.000 2.252 136 I HA -0.232 3.940 4.170 0.002 0.000 0.245 136 I C 2.558 178.471 176.117 -0.341 0.000 1.102 136 I CA 1.653 62.756 61.300 -0.329 0.000 1.385 136 I CB -0.328 37.507 38.000 -0.274 0.000 1.064 136 I HN 0.523 nan 8.210 nan 0.000 0.414 137 E N 1.483 121.289 120.200 -0.656 0.000 2.085 137 E HA -0.265 4.086 4.350 0.002 0.000 0.194 137 E C 2.249 178.611 176.600 -0.397 0.000 0.994 137 E CA 1.396 57.270 56.400 -0.875 0.000 0.801 137 E CB -0.031 29.043 29.700 -1.044 0.000 0.743 137 E HN 0.491 nan 8.360 nan 0.000 0.453 138 A N 0.709 123.361 122.820 -0.281 0.000 2.019 138 A HA -0.096 4.225 4.320 0.002 0.000 0.219 138 A C 2.001 179.515 177.584 -0.116 0.000 1.164 138 A CA 0.857 52.795 52.037 -0.164 0.000 0.644 138 A CB -0.334 18.591 19.000 -0.124 0.000 0.805 138 A HN 0.314 nan 8.150 nan 0.000 0.449 139 L N 0.131 121.287 121.223 -0.112 0.000 2.592 139 L HA 0.093 4.435 4.340 0.002 0.000 0.227 139 L C -0.080 176.765 176.870 -0.043 0.000 1.127 139 L CA -0.432 54.374 54.840 -0.056 0.000 0.884 139 L CB 0.180 42.224 42.059 -0.025 0.000 1.065 139 L HN 0.033 nan 8.230 nan 0.000 0.457 140 V N 3.101 122.974 119.914 -0.069 0.000 2.450 140 V HA 0.076 4.197 4.120 0.002 0.000 0.281 140 V C -1.487 174.588 176.094 -0.033 0.000 1.019 140 V CA -1.029 61.245 62.300 -0.045 0.000 1.062 140 V CB 0.057 31.841 31.823 -0.066 0.000 0.979 140 V HN 0.129 nan 8.190 nan 0.000 0.477 141 P HA 0.260 nan 4.420 nan 0.000 0.276 141 P C 0.454 177.751 177.300 -0.005 0.000 1.244 141 P CA -0.431 62.668 63.100 -0.002 0.000 0.801 141 P CB 1.394 33.106 31.700 0.019 0.000 1.006 142 E N 0.124 120.323 120.200 -0.002 0.000 2.150 142 E HA -0.100 4.252 4.350 0.002 0.000 0.193 142 E C 0.503 177.107 176.600 0.008 0.000 0.985 142 E CA 1.303 57.702 56.400 -0.001 0.000 0.814 142 E CB 0.336 30.037 29.700 0.001 0.000 0.752 142 E HN 0.606 nan 8.360 nan 0.000 0.466 143 E N -1.073 119.137 120.200 0.017 0.000 2.340 143 E HA 0.587 4.938 4.350 0.002 0.000 0.273 143 E C -1.689 174.937 176.600 0.044 0.000 0.891 143 E CA -0.586 55.831 56.400 0.027 0.000 0.757 143 E CB 2.048 31.762 29.700 0.022 0.000 1.231 143 E HN 0.012 nan 8.360 nan 0.000 0.439 144 A N 2.870 125.728 122.820 0.063 0.000 2.566 144 A HA 0.784 5.105 4.320 0.002 0.000 0.292 144 A C -1.251 176.380 177.584 0.079 0.000 1.112 144 A CA -0.844 51.255 52.037 0.103 0.000 0.707 144 A CB 1.434 20.529 19.000 0.159 0.000 1.302 144 A HN 0.640 nan 8.150 nan 0.000 0.409 145 R N 0.139 120.683 120.500 0.073 0.000 2.787 145 R HA 0.678 5.019 4.340 0.002 0.000 0.271 145 R C -0.069 176.101 176.300 -0.216 0.000 0.993 145 R CA -0.344 55.724 56.100 -0.052 0.000 0.993 145 R CB 1.670 31.933 30.300 -0.061 0.000 1.155 145 R HN 0.778 nan 8.270 nan 0.000 0.486 146 A N 2.596 125.173 122.820 -0.405 0.000 3.063 146 A HA 0.116 4.438 4.320 0.002 0.000 0.263 146 A C -0.124 177.250 177.584 -0.349 0.000 1.736 146 A CA -0.309 51.249 52.037 -0.798 0.000 1.408 146 A CB -0.710 17.988 19.000 -0.503 0.000 1.108 146 A HN 0.506 nan 8.150 nan 0.000 0.621 147 L N 0.729 121.736 121.223 -0.360 0.000 2.485 147 L HA 0.223 4.565 4.340 0.002 0.000 0.275 147 L C 0.291 177.098 176.870 -0.104 0.000 1.207 147 L CA 0.935 55.585 54.840 -0.316 0.000 0.855 147 L CB 0.307 41.980 42.059 -0.642 0.000 1.114 147 L HN 0.650 nan 8.230 nan 0.000 0.485 148 E N 2.202 122.381 120.200 -0.035 0.000 2.299 148 E HA 0.857 5.208 4.350 0.002 0.000 0.260 148 E C -0.678 175.965 176.600 0.072 0.000 0.944 148 E CA -0.795 55.644 56.400 0.065 0.000 0.815 148 E CB 1.846 31.578 29.700 0.053 0.000 1.252 148 E HN 0.819 nan 8.360 nan 0.000 0.418 149 G N -0.464 108.419 108.800 0.138 0.000 2.519 149 G HA2 0.482 4.443 3.960 0.002 0.000 0.292 149 G HA3 0.482 4.443 3.960 0.002 0.000 0.292 149 G C -1.631 173.369 174.900 0.166 0.000 1.507 149 G CA -0.413 44.764 45.100 0.129 0.000 0.806 149 G HN 0.536 nan 8.290 nan 0.000 0.523 150 A N 0.100 122.969 122.820 0.081 0.000 2.363 150 A HA 0.843 5.164 4.320 0.002 0.000 0.270 150 A C -0.432 177.211 177.584 0.098 0.000 1.121 150 A CA -0.062 51.968 52.037 -0.012 0.000 0.800 150 A CB 0.045 19.026 19.000 -0.031 0.000 1.052 150 A HN 1.942 nan 8.150 nan 0.000 0.493 151 Y N -1.020 119.309 120.300 0.048 0.000 2.638 151 Y HA 0.686 5.237 4.550 0.003 0.000 0.335 151 Y C -0.590 175.341 175.900 0.051 0.000 1.155 151 Y CA -1.310 56.822 58.100 0.054 0.000 1.046 151 Y CB 0.771 39.273 38.460 0.071 0.000 1.303 151 Y HN 0.645 nan 8.280 nan 0.000 0.460 152 E N 0.500 120.848 120.200 0.246 0.000 2.248 152 E HA 0.555 4.907 4.350 0.002 0.000 0.272 152 E C -1.086 175.663 176.600 0.248 0.000 1.008 152 E CA -1.113 55.382 56.400 0.158 0.000 0.856 152 E CB 1.733 31.502 29.700 0.116 0.000 1.120 152 E HN 0.614 nan 8.360 nan 0.000 0.397 153 T N 2.612 117.267 114.554 0.169 0.000 2.791 153 T HA 0.442 4.793 4.350 0.002 0.000 0.288 153 T C -0.459 174.313 174.700 0.119 0.000 0.999 153 T CA -0.552 61.654 62.100 0.178 0.000 0.952 153 T CB 0.262 69.231 68.868 0.168 0.000 0.938 153 T HN 0.209 nan 8.240 nan 0.000 0.444 154 L N 2.363 123.654 121.223 0.113 0.000 2.341 154 L HA 0.642 4.984 4.340 0.002 0.000 0.267 154 L C -0.599 176.320 176.870 0.081 0.000 1.009 154 L CA -1.164 53.731 54.840 0.092 0.000 0.819 154 L CB 2.074 44.190 42.059 0.094 0.000 1.323 154 L HN 0.466 nan 8.230 nan 0.000 0.425 155 D N 1.843 122.286 120.400 0.071 0.000 2.414 155 D HA 0.340 4.981 4.640 0.002 0.000 0.232 155 D C -0.144 176.190 176.300 0.057 0.000 1.070 155 D CA -0.116 53.917 54.000 0.056 0.000 0.839 155 D CB 1.252 42.080 40.800 0.046 0.000 1.079 155 D HN 0.386 nan 8.370 nan 0.000 0.521 156 L N 3.933 125.192 121.223 0.060 0.000 2.818 156 L HA 0.298 4.639 4.340 0.002 0.000 0.243 156 L C 2.129 179.009 176.870 0.017 0.000 1.185 156 L CA -0.282 54.608 54.840 0.083 0.000 0.988 156 L CB 0.088 42.241 42.059 0.156 0.000 1.292 156 L HN 0.375 nan 8.230 nan 0.000 0.519 157 R N 0.624 121.073 120.500 -0.085 0.000 2.080 157 R HA -0.190 4.151 4.340 0.002 0.000 0.236 157 R C 1.861 177.819 176.300 -0.569 0.000 1.137 157 R CA 1.644 57.537 56.100 -0.345 0.000 0.943 157 R CB 0.165 30.239 30.300 -0.376 0.000 0.846 157 R HN 0.293 nan 8.270 nan 0.000 0.431 158 E N 0.216 120.272 120.200 -0.241 0.000 2.085 158 E HA -0.201 4.150 4.350 0.002 0.000 0.194 158 E C 1.894 178.410 176.600 -0.141 0.000 0.994 158 E CA 1.447 57.773 56.400 -0.122 0.000 0.801 158 E CB -0.317 29.430 29.700 0.078 0.000 0.743 158 E HN 0.502 nan 8.360 nan 0.000 0.453 159 A N 0.605 123.390 122.820 -0.059 0.000 1.933 159 A HA -0.204 4.118 4.320 0.002 0.000 0.218 159 A C 2.117 179.558 177.584 -0.238 0.000 1.175 159 A CA 1.405 53.422 52.037 -0.033 0.000 0.628 159 A CB -0.752 18.231 19.000 -0.028 0.000 0.814 159 A HN 0.337 nan 8.150 nan 0.000 0.444 160 Y N -0.274 119.695 120.300 -0.551 0.000 2.181 160 Y HA -0.183 4.368 4.550 0.002 0.000 0.288 160 Y C 1.816 177.447 175.900 -0.449 0.000 1.146 160 Y CA 1.394 58.916 58.100 -0.964 0.000 1.164 160 Y CB -0.514 37.576 38.460 -0.617 0.000 0.982 160 Y HN 0.274 nan 8.280 nan 0.000 0.515 161 F N 0.808 120.552 119.950 -0.344 0.000 2.134 161 F HA -0.151 4.377 4.527 0.002 0.000 0.299 161 F C 2.415 178.101 175.800 -0.191 0.000 1.097 161 F CA 1.409 59.230 58.000 -0.298 0.000 1.264 161 F CB -0.977 37.688 39.000 -0.558 0.000 1.001 161 F HN 0.070 nan 8.300 nan 0.000 0.479 162 E N 0.145 120.332 120.200 -0.021 0.000 2.110 162 E HA -0.155 4.196 4.350 0.002 0.000 0.193 162 E C 2.431 179.050 176.600 0.031 0.000 0.988 162 E CA 1.129 57.592 56.400 0.104 0.000 0.804 162 E CB -0.557 29.226 29.700 0.139 0.000 0.745 162 E HN 0.318 nan 8.360 nan 0.000 0.458 163 A N 1.068 123.829 122.820 -0.098 0.000 1.898 163 A HA -0.116 4.206 4.320 0.002 0.000 0.216 163 A C 2.390 179.930 177.584 -0.073 0.000 1.181 163 A CA 0.915 52.921 52.037 -0.051 0.000 0.620 163 A CB -0.664 18.242 19.000 -0.156 0.000 0.819 163 A HN 0.171 nan 8.150 nan 0.000 0.442 164 L N -0.466 120.634 121.223 -0.205 0.000 2.012 164 L HA -0.237 4.104 4.340 0.002 0.000 0.210 164 L C 2.642 179.447 176.870 -0.109 0.000 1.073 164 L CA 2.016 56.692 54.840 -0.273 0.000 0.748 164 L CB -0.485 41.237 42.059 -0.560 0.000 0.891 164 L HN 0.489 nan 8.230 nan 0.000 0.431 165 K N 0.590 121.077 120.400 0.144 0.000 2.127 165 K HA -0.251 4.071 4.320 0.002 0.000 0.208 165 K C 1.942 178.550 176.600 0.013 0.000 1.047 165 K CA 1.631 58.051 56.287 0.222 0.000 0.927 165 K CB -0.147 32.489 32.500 0.226 0.000 0.716 165 K HN 0.314 nan 8.250 nan 0.000 0.450 166 A N 0.365 123.102 122.820 -0.137 0.000 2.178 166 A HA -0.125 4.196 4.320 0.002 0.000 0.218 166 A C 0.830 178.165 177.584 -0.415 0.000 1.157 166 A CA 1.100 52.963 52.037 -0.290 0.000 0.689 166 A CB -0.369 18.400 19.000 -0.386 0.000 0.787 166 A HN 0.431 nan 8.150 nan 0.000 0.465 167 H N -1.710 117.357 119.070 -0.004 0.000 2.581 167 H HA 0.466 5.024 4.556 0.003 0.000 0.275 167 H C -0.608 174.688 175.328 -0.053 0.000 1.126 167 H CA -0.124 55.907 56.048 -0.029 0.000 1.097 167 H CB 0.082 29.788 29.762 -0.093 0.000 1.626 167 H HN 0.299 nan 8.280 nan 0.000 0.565 168 L N 0.563 121.809 121.223 0.039 0.000 2.370 168 L HA 0.260 4.601 4.340 0.002 0.000 0.266 168 L C 0.075 176.987 176.870 0.070 0.000 1.002 168 L CA -0.869 53.995 54.840 0.040 0.000 0.818 168 L CB 2.656 44.724 42.059 0.016 0.000 1.325 168 L HN -0.091 nan 8.230 nan 0.000 0.418 169 D N 2.441 122.891 120.400 0.083 0.000 2.468 169 D HA 0.197 4.838 4.640 0.002 0.000 0.218 169 D C 0.975 177.322 176.300 0.078 0.000 1.155 169 D CA -0.057 53.991 54.000 0.080 0.000 0.924 169 D CB 0.934 41.794 40.800 0.101 0.000 1.029 169 D HN 0.443 nan 8.370 nan 0.000 0.515 170 L N 2.984 124.249 121.223 0.069 0.000 2.083 170 L HA -0.156 4.185 4.340 0.002 0.000 0.209 170 L C 2.491 179.388 176.870 0.044 0.000 1.083 170 L CA 0.915 55.792 54.840 0.061 0.000 0.752 170 L CB -0.253 41.827 42.059 0.036 0.000 0.899 170 L HN 0.329 nan 8.230 nan 0.000 0.433 171 K N 0.552 120.975 120.400 0.039 0.000 2.026 171 K HA -0.190 4.131 4.320 0.002 0.000 0.208 171 K C 2.182 178.811 176.600 0.049 0.000 1.048 171 K CA 1.435 57.742 56.287 0.034 0.000 0.929 171 K CB -0.082 32.435 32.500 0.028 0.000 0.713 171 K HN 0.259 nan 8.250 nan 0.000 0.439 172 A N 1.235 124.094 122.820 0.065 0.000 1.898 172 A HA -0.107 4.214 4.320 0.002 0.000 0.216 172 A C 2.123 179.760 177.584 0.088 0.000 1.181 172 A CA 1.164 53.250 52.037 0.082 0.000 0.620 172 A CB -0.619 18.446 19.000 0.108 0.000 0.819 172 A HN 0.332 nan 8.150 nan 0.000 0.442 173 L N 0.636 121.908 121.223 0.082 0.000 2.079 173 L HA -0.225 4.116 4.340 0.002 0.000 0.210 173 L C 2.978 179.911 176.870 0.106 0.000 1.081 173 L CA 1.689 56.579 54.840 0.084 0.000 0.752 173 L CB -0.450 41.654 42.059 0.075 0.000 0.896 173 L HN 0.642 nan 8.230 nan 0.000 0.433 174 S N -0.601 115.145 115.700 0.076 0.000 2.465 174 S HA -0.121 4.350 4.470 0.002 0.000 0.241 174 S C 1.880 176.529 174.600 0.080 0.000 1.000 174 S CA 0.932 59.170 58.200 0.065 0.000 0.964 174 S CB -0.752 62.467 63.200 0.031 0.000 0.763 174 S HN 0.467 nan 8.310 nan 0.000 0.512 175 G N 0.210 109.066 108.800 0.094 0.000 2.650 175 G HA2 0.100 4.062 3.960 0.002 0.000 0.214 175 G HA3 0.100 4.062 3.960 0.002 0.000 0.214 175 G C 0.172 175.140 174.900 0.113 0.000 1.136 175 G CA -0.490 44.660 45.100 0.083 0.000 0.789 175 G HN 0.511 nan 8.290 nan 0.000 0.536 176 F N 3.083 123.040 119.950 0.012 0.000 2.612 176 F HA 0.184 4.712 4.527 0.002 0.000 0.389 176 F C 1.502 177.308 175.800 0.010 0.000 1.055 176 F CA -0.226 57.785 58.000 0.018 0.000 1.232 176 F CB 1.016 40.029 39.000 0.022 0.000 1.044 176 F HN 0.033 nan 8.300 nan 0.000 0.560 177 S N 2.964 118.285 115.700 -0.632 0.000 2.554 177 S HA 0.440 4.912 4.470 0.002 0.000 0.226 177 S C 0.700 174.899 174.600 -0.668 0.000 0.980 177 S CA -0.022 57.882 58.200 -0.494 0.000 0.939 177 S CB -0.215 62.828 63.200 -0.261 0.000 0.832 177 S HN 0.801 nan 8.310 nan 0.000 0.486 178 G N 0.655 108.608 108.800 -1.412 0.000 2.990 178 G HA2 0.653 4.614 3.960 0.002 0.000 0.208 178 G HA3 0.653 4.614 3.960 0.002 0.000 0.208 178 G C -1.127 173.599 174.900 -0.290 0.000 1.334 178 G CA -0.514 44.128 45.100 -0.763 0.000 1.024 178 G HN 0.526 nan 8.290 nan 0.000 0.574 179 V N -0.403 119.549 119.914 0.064 0.000 2.680 179 V HA 0.717 4.839 4.120 0.002 0.000 0.309 179 V C -1.347 174.801 176.094 0.089 0.000 1.052 179 V CA -0.891 61.453 62.300 0.073 0.000 0.908 179 V CB 1.675 33.422 31.823 -0.126 0.000 1.001 179 V HN 0.652 nan 8.190 nan 0.000 0.431 180 L N 7.356 128.528 121.223 -0.085 0.000 2.287 180 L HA 0.608 4.949 4.340 0.002 0.000 0.287 180 L C -1.260 175.446 176.870 -0.274 0.000 1.022 180 L CA -0.007 54.657 54.840 -0.294 0.000 0.814 180 L CB 1.137 42.956 42.059 -0.400 0.000 1.217 180 L HN 0.671 nan 8.230 nan 0.000 0.420 181 Y N 4.155 124.358 120.300 -0.162 0.000 2.320 181 Y HA 0.351 4.903 4.550 0.002 0.000 0.334 181 Y C -0.032 175.878 175.900 0.017 0.000 1.055 181 Y CA -0.109 57.967 58.100 -0.040 0.000 1.143 181 Y CB 0.919 39.370 38.460 -0.014 0.000 1.193 181 Y HN 0.585 nan 8.280 nan 0.000 0.477 182 H N 3.123 122.235 119.070 0.069 0.000 2.762 182 H HA 0.172 4.729 4.556 0.002 0.000 0.310 182 H C -1.389 173.990 175.328 0.085 0.000 1.004 182 H CA -0.951 55.131 56.048 0.056 0.000 1.267 182 H CB 0.751 30.533 29.762 0.033 0.000 1.437 182 H HN 0.673 nan 8.280 nan 0.000 0.498 183 D N 3.129 123.642 120.400 0.188 0.000 2.347 183 D HA 0.059 4.700 4.640 0.002 0.000 0.235 183 D C 0.213 176.502 176.300 -0.019 0.000 1.149 183 D CA -0.077 53.951 54.000 0.046 0.000 0.850 183 D CB 1.458 42.318 40.800 0.100 0.000 1.061 183 D HN 0.429 nan 8.370 nan 0.000 0.487 184 S N 3.338 118.923 115.700 -0.192 0.000 2.558 184 S HA 0.022 4.493 4.470 0.002 0.000 0.217 184 S C 1.239 175.899 174.600 0.099 0.000 0.975 184 S CA -0.121 58.012 58.200 -0.111 0.000 0.912 184 S CB -0.337 62.760 63.200 -0.172 0.000 0.776 184 S HN 0.733 nan 8.310 nan 0.000 0.526 185 M N -0.445 119.223 119.600 0.114 0.000 2.762 185 M HA -0.252 4.229 4.480 0.002 0.000 0.190 185 M C 0.906 177.473 176.300 0.444 0.000 0.586 185 M CA 0.589 56.022 55.300 0.221 0.000 0.620 185 M CB -2.314 30.386 32.600 0.166 0.000 2.269 185 M HN 0.490 nan 8.290 nan 0.000 0.563 186 G N -0.932 108.114 108.800 0.410 0.000 2.148 186 G HA2 -0.177 3.784 3.960 0.002 0.000 0.254 186 G HA3 -0.177 3.784 3.960 0.002 0.000 0.254 186 G C 0.281 175.364 174.900 0.304 0.000 0.981 186 G CA 0.426 45.771 45.100 0.409 0.000 0.670 186 G HN 1.129 nan 8.290 nan 0.000 0.528 187 G N -1.394 107.630 108.800 0.372 0.000 2.532 187 G HA2 0.702 4.664 3.960 0.002 0.000 0.291 187 G HA3 0.702 4.664 3.960 0.002 0.000 0.291 187 G C 1.199 176.224 174.900 0.209 0.000 1.349 187 G CA 0.417 45.735 45.100 0.363 0.000 1.038 187 G HN 1.237 nan 8.290 nan 0.000 0.518 188 A N -1.071 121.843 122.820 0.156 0.000 2.209 188 A HA 0.241 4.562 4.320 0.002 0.000 0.212 188 A C 2.192 179.808 177.584 0.053 0.000 1.158 188 A CA 1.543 53.629 52.037 0.081 0.000 0.742 188 A CB -0.392 18.601 19.000 -0.012 0.000 0.790 188 A HN 0.950 nan 8.150 nan 0.000 0.472 189 G N -0.513 108.353 108.800 0.110 0.000 2.813 189 G HA2 0.329 4.291 3.960 0.002 0.000 0.209 189 G HA3 0.329 4.291 3.960 0.002 0.000 0.209 189 G C 0.750 175.929 174.900 0.464 0.000 1.150 189 G CA 0.439 45.656 45.100 0.195 0.000 0.785 189 G HN 0.769 nan 8.290 nan 0.000 0.535 190 A N -0.065 122.943 122.820 0.314 0.000 2.566 190 A HA 0.451 4.773 4.320 0.002 0.000 0.245 190 A C 1.815 179.618 177.584 0.364 0.000 1.056 190 A CA 1.002 53.183 52.037 0.240 0.000 0.757 190 A CB -0.419 18.674 19.000 0.155 0.000 0.979 190 A HN 1.632 nan 8.150 nan 0.000 0.508 191 G N 1.389 110.356 108.800 0.279 0.000 2.212 191 G HA2 -0.327 3.635 3.960 0.002 0.000 0.266 191 G HA3 -0.327 3.635 3.960 0.002 0.000 0.266 191 G C 0.626 175.643 174.900 0.195 0.000 0.978 191 G CA 0.922 46.138 45.100 0.193 0.000 0.632 191 G HN 0.728 nan 8.290 nan 0.000 0.537 192 F N 0.387 120.526 119.950 0.314 0.000 2.259 192 F HA 0.285 4.814 4.527 0.003 0.000 0.298 192 F C 2.722 178.691 175.800 0.281 0.000 1.088 192 F CA 1.495 59.735 58.000 0.400 0.000 1.358 192 F CB -0.210 39.020 39.000 0.382 0.000 1.040 192 F HN 0.248 nan 8.300 nan 0.000 0.505 193 L N -0.528 120.876 121.223 0.302 0.000 2.095 193 L HA -0.144 4.197 4.340 0.002 0.000 0.204 193 L C 2.290 179.198 176.870 0.062 0.000 1.080 193 L CA 1.174 56.082 54.840 0.112 0.000 0.759 193 L CB -0.538 41.488 42.059 -0.055 0.000 0.914 193 L HN 0.003 nan 8.230 nan 0.000 0.439 194 K N 0.200 120.640 120.400 0.068 0.000 2.057 194 K HA -0.101 4.220 4.320 0.002 0.000 0.207 194 K C 2.143 178.684 176.600 -0.099 0.000 1.049 194 K CA 1.290 57.574 56.287 -0.006 0.000 0.931 194 K CB -0.490 32.021 32.500 0.019 0.000 0.714 194 K HN 0.361 nan 8.250 nan 0.000 0.440 195 G N 1.372 110.104 108.800 -0.113 0.000 2.459 195 G HA2 -0.299 3.662 3.960 0.002 0.000 0.217 195 G HA3 -0.299 3.662 3.960 0.002 0.000 0.217 195 G C 1.367 175.761 174.900 -0.844 0.000 1.183 195 G CA 0.779 45.701 45.100 -0.296 0.000 0.776 195 G HN 0.285 nan 8.290 nan 0.000 0.552 196 F N 1.350 120.565 119.950 -1.226 0.000 2.095 196 F HA -0.037 4.492 4.527 0.003 0.000 0.298 196 F C 2.447 177.956 175.800 -0.485 0.000 1.104 196 F CA 1.395 58.683 58.000 -1.185 0.000 1.232 196 F CB -0.294 38.348 39.000 -0.595 0.000 0.987 196 F HN 0.068 nan 8.300 nan 0.000 0.475 197 L N 0.254 121.233 121.223 -0.406 0.000 2.017 197 L HA -0.210 4.132 4.340 0.002 0.000 0.208 197 L C 2.821 179.481 176.870 -0.349 0.000 1.073 197 L CA 1.706 56.331 54.840 -0.360 0.000 0.745 197 L CB -0.847 41.141 42.059 -0.118 0.000 0.894 197 L HN 0.137 nan 8.230 nan 0.000 0.432 198 R N -0.224 120.113 120.500 -0.272 0.000 2.120 198 R HA -0.243 4.099 4.340 0.002 0.000 0.234 198 R C 2.253 178.417 176.300 -0.226 0.000 1.123 198 R CA 1.917 57.897 56.100 -0.200 0.000 0.975 198 R CB -0.434 29.784 30.300 -0.137 0.000 0.866 198 R HN 0.432 nan 8.270 nan 0.000 0.446 199 H N 0.315 119.133 119.070 -0.420 0.000 2.387 199 H HA -0.078 4.479 4.556 0.002 0.000 0.299 199 H C 1.628 176.746 175.328 -0.350 0.000 1.090 199 H CA 2.138 57.970 56.048 -0.360 0.000 1.332 199 H CB 0.167 29.657 29.762 -0.454 0.000 1.386 199 H HN 0.134 nan 8.280 nan 0.000 0.516 200 V N -2.785 116.830 119.914 -0.499 0.000 3.596 200 V HA 0.419 4.540 4.120 0.002 0.000 0.289 200 V C 1.568 177.482 176.094 -0.300 0.000 1.336 200 V CA 0.421 62.458 62.300 -0.440 0.000 1.137 200 V CB -0.279 31.230 31.823 -0.522 0.000 0.966 200 V HN 0.625 nan 8.190 nan 0.000 0.428 201 G N 0.972 109.613 108.800 -0.265 0.000 2.198 201 G HA2 -0.252 3.710 3.960 0.002 0.000 0.260 201 G HA3 -0.252 3.710 3.960 0.002 0.000 0.260 201 G C -0.100 174.716 174.900 -0.141 0.000 1.025 201 G CA 0.556 45.551 45.100 -0.176 0.000 0.769 201 G HN 0.585 nan 8.290 nan 0.000 0.507 202 L N 0.606 121.732 121.223 -0.161 0.000 2.260 202 L HA 0.294 4.635 4.340 0.002 0.000 0.289 202 L C 0.572 177.398 176.870 -0.073 0.000 1.057 202 L CA -0.667 54.113 54.840 -0.101 0.000 0.811 202 L CB 0.932 42.934 42.059 -0.095 0.000 1.184 202 L HN 0.040 nan 8.230 nan 0.000 0.429 203 E N 5.192 125.366 120.200 -0.045 0.000 2.545 203 E HA 0.197 4.548 4.350 0.002 0.000 0.271 203 E C -0.054 176.542 176.600 -0.007 0.000 1.508 203 E CA 0.062 56.442 56.400 -0.033 0.000 1.774 203 E CB -0.199 29.483 29.700 -0.031 0.000 1.460 203 E HN 0.494 nan 8.360 nan 0.000 0.449 204 I N 3.555 124.129 120.570 0.007 0.000 2.325 204 I HA 0.129 4.300 4.170 0.002 0.000 0.291 204 I C -1.817 174.310 176.117 0.018 0.000 1.019 204 I CA -1.973 59.362 61.300 0.059 0.000 1.302 204 I CB 1.010 39.065 38.000 0.092 0.000 1.401 204 I HN -0.151 nan 8.210 nan 0.000 0.485 205 P HA 0.141 nan 4.420 nan 0.000 0.276 205 P C -0.807 176.450 177.300 -0.071 0.000 1.235 205 P CA -0.096 62.982 63.100 -0.037 0.000 0.772 205 P CB 1.445 33.113 31.700 -0.053 0.000 0.871 206 V N 5.720 125.582 119.914 -0.087 0.000 2.407 206 V HA 0.329 4.450 4.120 0.002 0.000 0.291 206 V C 0.576 176.595 176.094 -0.126 0.000 1.018 206 V CA -0.648 61.588 62.300 -0.107 0.000 0.842 206 V CB 1.484 33.282 31.823 -0.042 0.000 0.996 206 V HN 0.465 nan 8.190 nan 0.000 0.426 207 R N 6.447 126.806 120.500 -0.236 0.000 2.215 207 R HA 0.404 4.745 4.340 0.002 0.000 0.336 207 R C -2.589 173.677 176.300 -0.055 0.000 0.996 207 R CA -1.642 54.333 56.100 -0.208 0.000 0.847 207 R CB 1.773 31.800 30.300 -0.455 0.000 1.127 207 R HN 0.461 nan 8.270 nan 0.000 0.465 208 P HA 0.179 nan 4.420 nan 0.000 0.275 208 P C -0.542 176.776 177.300 0.030 0.000 1.228 208 P CA -0.001 63.108 63.100 0.016 0.000 0.786 208 P CB 1.301 32.999 31.700 -0.002 0.000 0.927 209 I N 3.005 123.576 120.570 0.002 0.000 2.534 209 I HA 0.296 4.467 4.170 0.002 0.000 0.288 209 I C 0.701 176.766 176.117 -0.086 0.000 1.077 209 I CA -0.954 60.340 61.300 -0.010 0.000 1.051 209 I CB 1.787 39.813 38.000 0.044 0.000 1.234 209 I HN 0.397 nan 8.210 nan 0.000 0.425 210 R N 3.446 123.848 120.500 -0.163 0.000 3.322 210 R HA -0.215 4.126 4.340 0.002 0.000 0.253 210 R C 1.039 177.274 176.300 -0.109 0.000 0.987 210 R CA 1.016 56.922 56.100 -0.322 0.000 0.666 210 R CB -1.118 28.993 30.300 -0.314 0.000 1.072 210 R HN 0.826 nan 8.270 nan 0.000 0.447 211 E N 0.144 120.311 120.200 -0.055 0.000 2.216 211 E HA -0.117 4.234 4.350 0.002 0.000 0.192 211 E C 0.584 177.245 176.600 0.102 0.000 0.988 211 E CA 0.296 56.699 56.400 0.005 0.000 0.834 211 E CB 0.108 29.804 29.700 -0.006 0.000 0.772 211 E HN 0.552 nan 8.360 nan 0.000 0.479 212 E N 2.556 122.851 120.200 0.158 0.000 2.366 212 E HA 0.075 4.426 4.350 0.002 0.000 0.266 212 E C -2.166 174.591 176.600 0.262 0.000 1.015 212 E CA -2.386 54.139 56.400 0.208 0.000 0.906 212 E CB 0.529 30.373 29.700 0.240 0.000 0.979 212 E HN -0.060 nan 8.360 nan 0.000 0.443 213 P HA -0.017 nan 4.420 nan 0.000 0.265 213 P C -1.187 176.107 177.300 -0.010 0.000 1.193 213 P CA 0.537 63.681 63.100 0.073 0.000 0.765 213 P CB 0.434 32.164 31.700 0.049 0.000 0.823 214 H N 4.677 123.582 119.070 -0.275 0.000 3.083 214 H HA 0.168 4.726 4.556 0.002 0.000 0.339 214 H C -2.218 172.729 175.328 -0.635 0.000 1.020 214 H CA -1.924 53.864 56.048 -0.434 0.000 1.360 214 H CB 2.156 31.469 29.762 -0.748 0.000 1.811 214 H HN 0.216 nan 8.280 nan 0.000 0.493 215 P HA -0.043 nan 4.420 nan 0.000 0.225 215 P C 0.956 178.108 177.300 -0.246 0.000 1.148 215 P CA 0.639 63.564 63.100 -0.292 0.000 0.779 215 P CB 0.733 32.446 31.700 0.022 0.000 0.780 216 L N -2.162 119.106 121.223 0.075 0.000 2.728 216 L HA 0.279 4.620 4.340 0.002 0.000 0.238 216 L C 0.159 177.053 176.870 0.040 0.000 1.143 216 L CA -0.302 54.590 54.840 0.087 0.000 0.937 216 L CB -0.591 41.534 42.059 0.111 0.000 1.225 216 L HN -0.221 nan 8.230 nan 0.000 0.507 217 F N 0.519 120.429 119.950 -0.066 0.000 3.048 217 F HA -0.302 4.227 4.527 0.003 0.000 0.269 217 F C 0.919 176.623 175.800 -0.161 0.000 0.960 217 F CA 0.751 58.696 58.000 -0.091 0.000 0.909 217 F CB -2.509 36.502 39.000 0.019 0.000 0.837 217 F HN 0.394 nan 8.300 nan 0.000 0.768 218 H N -2.321 116.471 119.070 -0.464 0.000 2.861 218 H HA -0.203 4.354 4.556 0.002 0.000 0.289 218 H C 1.605 176.825 175.328 -0.180 0.000 1.176 218 H CA 1.608 57.425 56.048 -0.384 0.000 1.146 218 H CB -1.398 28.277 29.762 -0.146 0.000 1.330 218 H HN 1.322 nan 8.280 nan 0.000 0.379 219 G N -1.418 107.334 108.800 -0.079 0.000 2.159 219 G HA2 -0.225 3.737 3.960 0.002 0.000 0.227 219 G HA3 -0.225 3.737 3.960 0.002 0.000 0.227 219 G C 0.386 175.304 174.900 0.030 0.000 0.986 219 G CA 0.709 45.801 45.100 -0.013 0.000 0.651 219 G HN 1.076 nan 8.290 nan 0.000 0.523 220 V N -3.179 116.775 119.914 0.067 0.000 3.164 220 V HA 0.776 4.897 4.120 0.002 0.000 0.313 220 V C 0.060 176.182 176.094 0.047 0.000 1.188 220 V CA -1.475 60.853 62.300 0.046 0.000 1.058 220 V CB 1.488 33.331 31.823 0.035 0.000 1.110 220 V HN 0.211 nan 8.190 nan 0.000 0.453 221 N N 2.114 120.805 118.700 -0.014 0.000 2.499 221 N HA 0.419 5.161 4.740 0.002 0.000 0.281 221 N C -2.490 172.925 175.510 -0.159 0.000 1.098 221 N CA -1.425 51.572 53.050 -0.089 0.000 0.979 221 N CB 1.309 39.756 38.487 -0.068 0.000 1.121 221 N HN 0.640 nan 8.380 nan 0.000 0.466 222 P HA 0.003 nan 4.420 nan 0.000 0.238 222 P C -1.147 176.053 177.300 -0.168 0.000 1.714 222 P CA 0.624 63.498 63.100 -0.377 0.000 0.908 222 P CB -0.183 30.942 31.700 -0.958 0.000 1.893 223 E N 2.544 122.695 120.200 -0.082 0.000 2.182 223 E HA 0.258 4.609 4.350 0.002 0.000 0.258 223 E C -2.231 174.351 176.600 -0.029 0.000 0.879 223 E CA -2.988 53.394 56.400 -0.031 0.000 0.754 223 E CB 1.955 31.650 29.700 -0.008 0.000 1.162 223 E HN 0.083 nan 8.360 nan 0.000 0.419 224 P HA 0.047 nan 4.420 nan 0.000 0.238 224 P C -0.432 176.907 177.300 0.065 0.000 1.729 224 P CA 0.413 63.549 63.100 0.060 0.000 1.055 224 P CB -0.870 30.897 31.700 0.112 0.000 1.980 225 I N -2.981 117.531 120.570 -0.097 0.000 3.002 225 I HA 0.535 4.706 4.170 0.002 0.000 0.310 225 I C -2.050 173.808 176.117 -0.432 0.000 1.087 225 I CA -3.623 57.455 61.300 -0.371 0.000 1.017 225 I CB 1.793 39.635 38.000 -0.263 0.000 1.226 225 I HN -0.353 nan 8.210 nan 0.000 0.443 226 P HA -0.269 nan 4.420 nan 0.000 0.219 226 P C 1.141 178.316 177.300 -0.208 0.000 1.158 226 P CA 2.501 65.357 63.100 -0.408 0.000 0.895 226 P CB -0.094 31.356 31.700 -0.415 0.000 0.792 227 K N -1.518 118.772 120.400 -0.183 0.000 2.281 227 K HA -0.100 4.222 4.320 0.002 0.000 0.203 227 K C 1.161 177.712 176.600 -0.082 0.000 1.046 227 K CA 1.568 57.788 56.287 -0.113 0.000 0.938 227 K CB -0.584 31.855 32.500 -0.100 0.000 0.737 227 K HN 0.149 nan 8.250 nan 0.000 0.458 228 N N 0.318 118.966 118.700 -0.086 0.000 2.205 228 N HA 0.126 4.868 4.740 0.002 0.000 0.201 228 N C 0.401 175.894 175.510 -0.029 0.000 1.128 228 N CA 0.236 53.258 53.050 -0.047 0.000 0.867 228 N CB 0.714 39.176 38.487 -0.042 0.000 0.996 228 N HN 0.212 nan 8.380 nan 0.000 0.503 229 L N -0.054 121.142 121.223 -0.045 0.000 2.910 229 L HA 0.319 4.661 4.340 0.002 0.000 0.252 229 L C 1.968 178.830 176.870 -0.013 0.000 1.195 229 L CA -0.236 54.595 54.840 -0.014 0.000 1.003 229 L CB 0.331 42.391 42.059 0.002 0.000 1.328 229 L HN 0.027 nan 8.230 nan 0.000 0.540 230 G N 0.665 109.451 108.800 -0.023 0.000 2.529 230 G HA2 -0.262 3.700 3.960 0.002 0.000 0.219 230 G HA3 -0.262 3.700 3.960 0.002 0.000 0.219 230 G C 1.438 176.330 174.900 -0.014 0.000 1.177 230 G CA 1.323 46.411 45.100 -0.020 0.000 0.773 230 G HN 0.182 nan 8.290 nan 0.000 0.573 231 V N 0.780 120.686 119.914 -0.013 0.000 2.392 231 V HA -0.190 3.931 4.120 0.002 0.000 0.249 231 V C 3.128 179.210 176.094 -0.020 0.000 1.059 231 V CA 2.393 64.683 62.300 -0.016 0.000 1.051 231 V CB -0.914 30.896 31.823 -0.021 0.000 0.658 231 V HN 0.427 nan 8.190 nan 0.000 0.455 232 T N 0.105 114.652 114.554 -0.010 0.000 2.857 232 T HA -0.004 4.348 4.350 0.002 0.000 0.266 232 T C 1.875 176.559 174.700 -0.027 0.000 1.048 232 T CA 1.095 63.186 62.100 -0.015 0.000 1.139 232 T CB -0.220 68.665 68.868 0.028 0.000 0.874 232 T HN 0.295 nan 8.240 nan 0.000 0.455 233 L N 0.759 121.981 121.223 -0.002 0.000 2.131 233 L HA -0.067 4.275 4.340 0.002 0.000 0.210 233 L C 2.927 179.785 176.870 -0.020 0.000 1.092 233 L CA 1.026 55.869 54.840 0.005 0.000 0.759 233 L CB -0.559 41.508 42.059 0.014 0.000 0.903 233 L HN 0.250 nan 8.230 nan 0.000 0.435 234 A N -0.426 122.378 122.820 -0.028 0.000 1.872 234 A HA -0.102 4.219 4.320 0.002 0.000 0.214 234 A C 2.300 179.850 177.584 -0.057 0.000 1.187 234 A CA 1.351 53.369 52.037 -0.032 0.000 0.614 234 A CB -0.729 18.256 19.000 -0.023 0.000 0.826 234 A HN 0.143 nan 8.150 nan 0.000 0.442 235 V N 0.366 120.229 119.914 -0.085 0.000 2.332 235 V HA -0.206 3.915 4.120 0.002 0.000 0.248 235 V C 2.318 178.272 176.094 -0.234 0.000 1.055 235 V CA 1.478 63.691 62.300 -0.144 0.000 1.038 235 V CB -0.626 31.090 31.823 -0.178 0.000 0.651 235 V HN 0.487 nan 8.190 nan 0.000 0.450 236 L N 0.488 121.571 121.223 -0.234 0.000 2.478 236 L HA 0.079 4.420 4.340 0.002 0.000 0.223 236 L C 2.481 179.295 176.870 -0.092 0.000 1.140 236 L CA 1.490 56.200 54.840 -0.217 0.000 0.842 236 L CB -1.833 40.133 42.059 -0.155 0.000 0.953 236 L HN 0.446 nan 8.230 nan 0.000 0.452 237 G N 2.217 110.980 108.800 -0.062 0.000 2.586 237 G HA2 -0.243 3.719 3.960 0.002 0.000 0.218 237 G HA3 -0.243 3.719 3.960 0.002 0.000 0.218 237 G C -0.584 174.306 174.900 -0.016 0.000 1.216 237 G CA 0.868 45.953 45.100 -0.025 0.000 0.786 237 G HN 0.377 nan 8.290 nan 0.000 0.583 238 P HA 0.208 nan 4.420 nan 0.000 0.253 238 P C 0.295 177.598 177.300 0.005 0.000 1.260 238 P CA 0.132 63.231 63.100 -0.003 0.000 0.800 238 P CB 0.412 32.112 31.700 0.000 0.000 1.162 239 E N 1.071 121.268 120.200 -0.005 0.000 2.376 239 E HA 0.265 4.616 4.350 0.002 0.000 0.254 239 E C 0.517 177.139 176.600 0.037 0.000 1.213 239 E CA 0.502 56.916 56.400 0.024 0.000 0.945 239 E CB 0.762 30.466 29.700 0.007 0.000 1.057 239 E HN 0.129 nan 8.360 nan 0.000 0.479 240 T N -1.786 112.801 114.554 0.056 0.000 2.909 240 T HA 0.544 4.896 4.350 0.002 0.000 0.299 240 T C -2.746 171.990 174.700 0.061 0.000 1.073 240 T CA -2.216 59.911 62.100 0.046 0.000 0.999 240 T CB 1.573 70.459 68.868 0.030 0.000 1.098 240 T HN -0.001 nan 8.240 nan 0.000 0.477 241 P HA 0.176 nan 4.420 nan 0.000 0.267 241 P C -1.694 175.623 177.300 0.029 0.000 1.201 241 P CA -0.998 62.137 63.100 0.057 0.000 0.775 241 P CB 0.081 31.800 31.700 0.032 0.000 0.854 242 P HA 0.090 nan 4.420 nan 0.000 0.258 242 P C -0.493 177.023 177.300 0.360 0.000 1.416 242 P CA 0.149 63.331 63.100 0.136 0.000 0.927 242 P CB 0.305 32.071 31.700 0.110 0.000 1.444 243 S N 1.074 116.938 115.700 0.274 0.000 2.572 243 S HA 0.449 4.921 4.470 0.002 0.000 0.279 243 S C 0.121 175.013 174.600 0.487 0.000 1.341 243 S CA 0.115 58.553 58.200 0.397 0.000 1.043 243 S CB -0.220 63.149 63.200 0.282 0.000 0.887 243 S HN 0.355 nan 8.310 nan 0.000 0.516 244 F N -1.295 118.808 119.950 0.255 0.000 2.773 244 F HA 0.808 5.337 4.527 0.003 0.000 0.314 244 F C -0.986 174.933 175.800 0.199 0.000 1.160 244 F CA -1.550 56.533 58.000 0.138 0.000 0.920 244 F CB 0.746 39.754 39.000 0.013 0.000 1.323 244 F HN 0.579 nan 8.300 nan 0.000 0.457 245 A N 1.193 124.148 122.820 0.225 0.000 2.350 245 A HA 0.831 5.153 4.320 0.002 0.000 0.324 245 A C -1.058 176.645 177.584 0.198 0.000 1.118 245 A CA -0.480 51.643 52.037 0.142 0.000 0.783 245 A CB 1.482 20.562 19.000 0.134 0.000 1.236 245 A HN 1.733 nan 8.150 nan 0.000 0.457 246 V N -0.740 119.251 119.914 0.127 0.000 2.555 246 V HA 0.896 5.017 4.120 0.002 0.000 0.302 246 V C 0.060 176.283 176.094 0.215 0.000 1.038 246 V CA -0.460 61.936 62.300 0.161 0.000 0.887 246 V CB 1.083 32.942 31.823 0.060 0.000 0.991 246 V HN 1.583 nan 8.190 nan 0.000 0.434 247 A N 3.456 126.399 122.820 0.206 0.000 2.285 247 A HA 0.798 5.119 4.320 0.002 0.000 0.310 247 A C 0.317 178.013 177.584 0.187 0.000 1.266 247 A CA -0.206 51.958 52.037 0.212 0.000 0.832 247 A CB 0.725 19.829 19.000 0.173 0.000 1.163 247 A HN 1.301 nan 8.150 nan 0.000 0.499 248 T N 0.612 115.307 114.554 0.234 0.000 2.882 248 T HA 0.518 4.869 4.350 0.002 0.000 0.287 248 T C 0.097 174.870 174.700 0.121 0.000 0.992 248 T CA -0.536 61.669 62.100 0.175 0.000 1.076 248 T CB 1.087 70.101 68.868 0.244 0.000 0.961 248 T HN 0.708 nan 8.240 nan 0.000 0.490 249 D N 1.760 122.200 120.400 0.066 0.000 2.398 249 D HA 0.189 4.831 4.640 0.002 0.000 0.264 249 D C 1.815 178.126 176.300 0.018 0.000 1.263 249 D CA -0.023 53.991 54.000 0.023 0.000 1.037 249 D CB -0.350 40.455 40.800 0.008 0.000 1.101 249 D HN 0.610 nan 8.370 nan 0.000 0.551 250 G N -0.128 108.634 108.800 -0.063 0.000 2.556 250 G HA2 -0.314 3.647 3.960 0.002 0.000 0.220 250 G HA3 -0.314 3.647 3.960 0.002 0.000 0.220 250 G C 0.882 175.818 174.900 0.060 0.000 1.156 250 G CA 1.670 46.754 45.100 -0.026 0.000 0.766 250 G HN 0.769 nan 8.290 nan 0.000 0.583 251 D N -0.953 119.441 120.400 -0.010 0.000 2.440 251 D HA 0.396 5.037 4.640 0.002 0.000 0.216 251 D C 1.246 177.502 176.300 -0.073 0.000 1.150 251 D CA 0.461 54.435 54.000 -0.044 0.000 0.832 251 D CB -0.306 40.447 40.800 -0.079 0.000 0.992 251 D HN 0.764 nan 8.370 nan 0.000 0.502 252 A N 1.924 124.726 122.820 -0.030 0.000 2.832 252 A HA -0.232 4.089 4.320 0.002 0.000 0.280 252 A C 1.030 178.589 177.584 -0.042 0.000 1.464 252 A CA 1.314 53.338 52.037 -0.022 0.000 0.804 252 A CB -2.252 16.721 19.000 -0.045 0.000 1.020 252 A HN 0.532 nan 8.150 nan 0.000 0.563 253 D N -1.329 119.037 120.400 -0.056 0.000 2.360 253 D HA 0.131 4.772 4.640 0.002 0.000 0.210 253 D C 0.693 176.955 176.300 -0.063 0.000 1.047 253 D CA 0.592 54.545 54.000 -0.078 0.000 0.854 253 D CB 0.081 40.800 40.800 -0.135 0.000 0.936 253 D HN 0.749 nan 8.370 nan 0.000 0.514 254 R N -0.284 120.195 120.500 -0.034 0.000 2.837 254 R HA 0.684 5.026 4.340 0.002 0.000 0.271 254 R C -0.929 175.378 176.300 0.012 0.000 0.993 254 R CA -1.144 54.939 56.100 -0.028 0.000 0.931 254 R CB 2.925 33.192 30.300 -0.056 0.000 1.206 254 R HN -0.008 nan 8.270 nan 0.000 0.474 255 V N -2.025 117.902 119.914 0.022 0.000 3.007 255 V HA 0.960 5.081 4.120 0.002 0.000 0.311 255 V C -0.432 175.705 176.094 0.072 0.000 1.120 255 V CA -0.771 61.565 62.300 0.060 0.000 0.980 255 V CB 2.064 33.928 31.823 0.067 0.000 1.033 255 V HN 0.862 nan 8.190 nan 0.000 0.429 256 G N 0.747 109.623 108.800 0.127 0.000 2.519 256 G HA2 0.705 4.666 3.960 0.002 0.000 0.307 256 G HA3 0.705 4.666 3.960 0.002 0.000 0.307 256 G C -1.565 173.442 174.900 0.177 0.000 1.266 256 G CA -0.889 44.323 45.100 0.187 0.000 0.970 256 G HN 1.084 nan 8.290 nan 0.000 0.481 257 V N 0.471 120.444 119.914 0.098 0.000 2.680 257 V HA 0.632 4.753 4.120 0.002 0.000 0.309 257 V C -0.498 175.685 176.094 0.149 0.000 1.052 257 V CA -0.675 61.708 62.300 0.138 0.000 0.908 257 V CB 1.957 33.861 31.823 0.134 0.000 1.001 257 V HN 0.574 nan 8.190 nan 0.000 0.431 258 V N 5.682 125.714 119.914 0.196 0.000 2.531 258 V HA 0.524 4.645 4.120 0.002 0.000 0.301 258 V C -0.275 175.898 176.094 0.133 0.000 1.034 258 V CA -0.435 61.974 62.300 0.182 0.000 0.865 258 V CB 1.693 33.617 31.823 0.168 0.000 0.995 258 V HN 0.634 nan 8.190 nan 0.000 0.424 259 L N 5.101 126.376 121.223 0.088 0.000 2.358 259 L HA 0.574 4.916 4.340 0.002 0.000 0.268 259 L C -2.377 174.524 176.870 0.052 0.000 1.032 259 L CA -2.207 52.665 54.840 0.053 0.000 0.805 259 L CB 1.613 43.658 42.059 -0.023 0.000 1.253 259 L HN 0.357 nan 8.230 nan 0.000 0.452 260 P HA 0.006 nan 4.420 nan 0.000 0.263 260 P C 0.568 177.885 177.300 0.028 0.000 1.175 260 P CA 1.024 64.143 63.100 0.032 0.000 0.761 260 P CB 0.493 32.220 31.700 0.045 0.000 0.794 261 G N 2.369 111.179 108.800 0.017 0.000 2.175 261 G HA2 -0.075 3.886 3.960 0.002 0.000 0.244 261 G HA3 -0.075 3.886 3.960 0.002 0.000 0.244 261 G C 0.672 175.588 174.900 0.028 0.000 0.982 261 G CA 0.252 45.366 45.100 0.022 0.000 0.641 261 G HN 1.028 nan 8.290 nan 0.000 0.527 262 G N -1.610 107.206 108.800 0.027 0.000 2.298 262 G HA2 0.099 4.061 3.960 0.002 0.000 0.287 262 G HA3 0.099 4.061 3.960 0.002 0.000 0.287 262 G C 0.097 175.044 174.900 0.079 0.000 1.075 262 G CA 0.485 45.610 45.100 0.041 0.000 0.960 262 G HN 1.613 nan 8.290 nan 0.000 0.502 263 V N 1.016 120.990 119.914 0.100 0.000 2.398 263 V HA 0.611 4.732 4.120 0.002 0.000 0.286 263 V C 0.430 176.650 176.094 0.210 0.000 1.026 263 V CA -1.078 61.305 62.300 0.139 0.000 0.868 263 V CB 1.456 33.347 31.823 0.113 0.000 0.982 263 V HN 0.423 nan 8.190 nan 0.000 0.443 264 F N 5.686 125.683 119.950 0.079 0.000 2.443 264 F HA 0.465 4.993 4.527 0.001 0.000 0.353 264 F C -0.488 175.402 175.800 0.151 0.000 1.101 264 F CA -0.968 57.090 58.000 0.096 0.000 1.226 264 F CB 0.657 39.690 39.000 0.055 0.000 1.140 264 F HN 0.422 nan 8.300 nan 0.000 0.557 265 F N 8.023 127.515 119.950 -0.764 0.000 2.366 265 F HA 0.311 4.840 4.527 0.004 0.000 0.366 265 F C -0.260 174.903 175.800 -1.063 0.000 1.096 265 F CA -1.042 56.560 58.000 -0.663 0.000 1.060 265 F CB -0.043 38.721 39.000 -0.393 0.000 1.282 265 F HN 0.583 nan 8.300 nan 0.000 0.450 266 N N 6.078 124.136 118.700 -1.071 0.000 2.354 266 N HA 0.312 5.054 4.740 0.002 0.000 0.246 266 N C -2.342 172.817 175.510 -0.585 0.000 1.285 266 N CA -1.722 50.871 53.050 -0.763 0.000 0.925 266 N CB 0.078 38.463 38.487 -0.170 0.000 1.174 266 N HN 0.229 nan 8.380 nan 0.000 0.478 267 P HA -0.182 nan 4.420 nan 0.000 0.216 267 P C 0.801 177.796 177.300 -0.508 0.000 1.150 267 P CA 1.475 64.319 63.100 -0.427 0.000 0.843 267 P CB -0.088 31.352 31.700 -0.433 0.000 0.787 268 H N -0.824 118.001 119.070 -0.409 0.000 2.389 268 H HA -0.042 4.516 4.556 0.004 0.000 0.299 268 H C 1.976 176.989 175.328 -0.525 0.000 1.081 268 H CA 1.242 57.033 56.048 -0.429 0.000 1.345 268 H CB -0.491 28.943 29.762 -0.547 0.000 1.393 268 H HN 0.330 nan 8.280 nan 0.000 0.520 269 Q N 0.271 119.614 119.800 -0.761 0.000 2.079 269 Q HA -0.067 4.275 4.340 0.002 0.000 0.200 269 Q C 2.643 178.246 176.000 -0.660 0.000 0.974 269 Q CA 1.058 56.143 55.803 -1.197 0.000 0.840 269 Q CB 0.120 27.476 28.738 -2.303 0.000 0.898 269 Q HN 0.148 nan 8.270 nan 0.000 0.430 270 V N 1.037 120.638 119.914 -0.521 0.000 2.295 270 V HA -0.252 3.869 4.120 0.002 0.000 0.246 270 V C 2.171 178.257 176.094 -0.014 0.000 1.049 270 V CA 1.516 63.767 62.300 -0.083 0.000 1.024 270 V CB -0.511 31.280 31.823 -0.053 0.000 0.648 270 V HN 0.315 nan 8.190 nan 0.000 0.447 271 L N 0.821 121.996 121.223 -0.079 0.000 2.012 271 L HA -0.181 4.160 4.340 0.002 0.000 0.210 271 L C 2.743 179.647 176.870 0.056 0.000 1.073 271 L CA 2.949 57.779 54.840 -0.016 0.000 0.748 271 L CB -1.059 40.964 42.059 -0.061 0.000 0.891 271 L HN 0.619 nan 8.230 nan 0.000 0.431 272 T N -5.305 109.294 114.554 0.075 0.000 2.821 272 T HA -0.144 4.208 4.350 0.002 0.000 0.267 272 T C 1.789 176.616 174.700 0.212 0.000 1.046 272 T CA 1.607 63.806 62.100 0.166 0.000 1.139 272 T CB -1.085 67.913 68.868 0.217 0.000 0.871 272 T HN 0.353 nan 8.240 nan 0.000 0.454 273 T N 2.300 116.994 114.554 0.234 0.000 2.746 273 T HA 0.134 4.485 4.350 0.002 0.000 0.267 273 T C 1.862 176.699 174.700 0.229 0.000 1.039 273 T CA 1.125 63.384 62.100 0.266 0.000 1.142 273 T CB -0.445 68.619 68.868 0.328 0.000 0.866 273 T HN 0.293 nan 8.240 nan 0.000 0.444 274 L N 0.506 121.848 121.223 0.198 0.000 2.156 274 L HA 0.034 4.375 4.340 0.002 0.000 0.208 274 L C 2.987 180.004 176.870 0.245 0.000 1.095 274 L CA 0.815 55.791 54.840 0.226 0.000 0.770 274 L CB -0.601 41.583 42.059 0.208 0.000 0.914 274 L HN 0.242 nan 8.230 nan 0.000 0.439 275 A N 0.182 123.122 122.820 0.200 0.000 1.898 275 A HA -0.215 4.106 4.320 0.002 0.000 0.216 275 A C 2.186 179.936 177.584 0.275 0.000 1.181 275 A CA 1.478 53.641 52.037 0.209 0.000 0.620 275 A CB -0.574 18.510 19.000 0.140 0.000 0.819 275 A HN 0.310 nan 8.150 nan 0.000 0.442 276 L N -1.511 119.868 121.223 0.261 0.000 2.017 276 L HA -0.136 4.205 4.340 0.002 0.000 0.208 276 L C 2.310 179.350 176.870 0.283 0.000 1.073 276 L CA 2.427 57.429 54.840 0.271 0.000 0.745 276 L CB -0.964 41.234 42.059 0.233 0.000 0.894 276 L HN 0.536 nan 8.230 nan 0.000 0.432 277 Y N 0.188 120.572 120.300 0.140 0.000 2.128 277 Y HA -0.300 4.251 4.550 0.002 0.000 0.284 277 Y C 2.702 178.636 175.900 0.056 0.000 1.154 277 Y CA 1.985 60.139 58.100 0.090 0.000 1.149 277 Y CB -0.063 38.432 38.460 0.058 0.000 0.976 277 Y HN 0.127 nan 8.280 nan 0.000 0.505 278 R N -0.866 119.597 120.500 -0.061 0.000 2.092 278 R HA -0.163 4.179 4.340 0.002 0.000 0.231 278 R C 2.163 178.323 176.300 -0.233 0.000 1.119 278 R CA 1.635 57.552 56.100 -0.306 0.000 0.970 278 R CB -0.645 29.544 30.300 -0.185 0.000 0.864 278 R HN 0.443 nan 8.270 nan 0.000 0.440 279 F N 1.674 121.473 119.950 -0.253 0.000 2.134 279 F HA -0.147 4.383 4.527 0.004 0.000 0.299 279 F C 2.006 177.687 175.800 -0.197 0.000 1.097 279 F CA 1.475 59.251 58.000 -0.375 0.000 1.264 279 F CB 0.035 38.844 39.000 -0.318 0.000 1.001 279 F HN -0.206 nan 8.300 nan 0.000 0.479 280 R N 0.232 120.685 120.500 -0.078 0.000 2.189 280 R HA -0.077 4.264 4.340 0.002 0.000 0.223 280 R C 1.924 178.080 176.300 -0.239 0.000 1.092 280 R CA 1.063 57.081 56.100 -0.137 0.000 0.989 280 R CB -0.264 30.061 30.300 0.041 0.000 0.876 280 R HN 0.290 nan 8.270 nan 0.000 0.457 281 K N -0.603 119.628 120.400 -0.282 0.000 2.486 281 K HA 0.021 4.342 4.320 0.002 0.000 0.194 281 K C 0.882 177.382 176.600 -0.166 0.000 1.033 281 K CA 0.715 56.869 56.287 -0.222 0.000 1.004 281 K CB 0.582 32.938 32.500 -0.240 0.000 0.798 281 K HN 0.410 nan 8.250 nan 0.000 0.495 282 G N 0.935 109.575 108.800 -0.266 0.000 2.192 282 G HA2 -0.187 3.774 3.960 0.002 0.000 0.193 282 G HA3 -0.187 3.774 3.960 0.002 0.000 0.193 282 G C -0.480 174.222 174.900 -0.329 0.000 0.999 282 G CA -0.440 44.467 45.100 -0.320 0.000 0.659 282 G HN 0.349 nan 8.290 nan 0.000 0.503 283 H N 0.734 119.559 119.070 -0.408 0.000 2.964 283 H HA 0.668 5.225 4.556 0.002 0.000 0.328 283 H C 0.869 175.861 175.328 -0.560 0.000 1.030 283 H CA 0.605 56.427 56.048 -0.377 0.000 1.445 283 H CB 0.660 30.248 29.762 -0.291 0.000 1.449 283 H HN 0.316 nan 8.280 nan 0.000 0.581 284 R N 0.798 121.146 120.500 -0.253 0.000 2.902 284 R HA 0.749 5.091 4.340 0.002 0.000 0.258 284 R C 0.204 176.492 176.300 -0.021 0.000 1.071 284 R CA 0.062 56.045 56.100 -0.196 0.000 1.024 284 R CB 1.796 32.037 30.300 -0.098 0.000 1.184 284 R HN 0.930 nan 8.270 nan 0.000 0.492 285 G N 0.486 109.351 108.800 0.108 0.000 2.337 285 G HA2 -0.049 3.912 3.960 0.002 0.000 0.197 285 G HA3 -0.049 3.912 3.960 0.002 0.000 0.197 285 G C -1.517 173.636 174.900 0.423 0.000 1.238 285 G CA -0.358 44.888 45.100 0.243 0.000 1.119 285 G HN 0.699 nan 8.290 nan 0.000 0.514 286 R N -0.336 120.407 120.500 0.406 0.000 2.873 286 R HA 0.874 5.216 4.340 0.002 0.000 0.264 286 R C -0.120 176.300 176.300 0.200 0.000 1.026 286 R CA -0.258 56.081 56.100 0.397 0.000 1.002 286 R CB 1.862 32.307 30.300 0.242 0.000 1.174 286 R HN 1.681 nan 8.270 nan 0.000 0.488 287 A N 1.479 124.388 122.820 0.149 0.000 2.324 287 A HA 0.587 4.909 4.320 0.002 0.000 0.330 287 A C -0.593 177.002 177.584 0.018 0.000 1.165 287 A CA -0.819 51.123 52.037 -0.158 0.000 0.813 287 A CB 1.488 20.442 19.000 -0.077 0.000 1.197 287 A HN 0.434 nan 8.150 nan 0.000 0.484 288 V N 2.614 122.530 119.914 0.004 0.000 2.495 288 V HA 0.624 4.745 4.120 0.002 0.000 0.298 288 V C -0.161 175.928 176.094 -0.008 0.000 1.031 288 V CA -0.591 61.729 62.300 0.033 0.000 0.871 288 V CB 1.379 33.246 31.823 0.073 0.000 0.988 288 V HN 1.040 nan 8.190 nan 0.000 0.432 289 K N 2.025 122.416 120.400 -0.015 0.000 2.502 289 K HA 0.650 4.971 4.320 0.002 0.000 0.257 289 K C -0.777 175.797 176.600 -0.042 0.000 0.938 289 K CA -0.945 55.328 56.287 -0.024 0.000 0.819 289 K CB 1.979 34.482 32.500 0.005 0.000 1.333 289 K HN 0.599 nan 8.250 nan 0.000 0.434 290 N N 0.619 119.293 118.700 -0.043 0.000 2.379 290 N HA 0.032 4.774 4.740 0.002 0.000 0.260 290 N C 0.231 175.735 175.510 -0.011 0.000 1.254 290 N CA -0.746 52.272 53.050 -0.054 0.000 0.958 290 N CB 0.081 38.542 38.487 -0.044 0.000 1.208 290 N HN 0.620 nan 8.380 nan 0.000 0.532 291 F N -0.370 119.436 119.950 -0.240 0.000 2.307 291 F HA 0.031 4.558 4.527 0.001 0.000 0.301 291 F C 1.880 177.492 175.800 -0.312 0.000 1.076 291 F CA 1.233 59.058 58.000 -0.293 0.000 1.383 291 F CB -0.619 38.199 39.000 -0.304 0.000 1.055 291 F HN 0.687 nan 8.300 nan 0.000 0.526 292 A N -0.682 122.045 122.820 -0.156 0.000 2.308 292 A HA 0.348 4.669 4.320 0.002 0.000 0.217 292 A C 0.584 178.353 177.584 0.307 0.000 1.216 292 A CA -0.068 51.947 52.037 -0.036 0.000 0.864 292 A CB -0.642 18.208 19.000 -0.249 0.000 0.902 292 A HN -0.040 nan 8.150 nan 0.000 0.499 293 V N 0.807 120.796 119.914 0.124 0.000 2.686 293 V HA 0.172 4.294 4.120 0.002 0.000 0.295 293 V C 1.239 177.496 176.094 0.272 0.000 1.055 293 V CA -0.080 62.370 62.300 0.248 0.000 1.050 293 V CB 1.211 33.087 31.823 0.089 0.000 0.984 293 V HN 0.462 nan 8.190 nan 0.000 0.482 294 T N 5.004 119.792 114.554 0.390 0.000 2.939 294 T HA -0.099 4.253 4.350 0.002 0.000 0.312 294 T C 0.772 175.663 174.700 0.319 0.000 1.064 294 T CA 0.436 62.710 62.100 0.290 0.000 1.136 294 T CB -0.023 68.933 68.868 0.146 0.000 1.035 294 T HN 0.798 nan 8.240 nan 0.000 0.538 295 W N 4.897 126.326 121.300 0.216 0.000 3.077 295 W HA 0.227 4.884 4.660 -0.006 0.000 0.245 295 W C 0.965 177.526 176.519 0.071 0.000 1.316 295 W CA -0.500 56.889 57.345 0.073 0.000 1.537 295 W CB -1.621 27.876 29.460 0.061 0.000 1.131 295 W HN 0.513 nan 8.180 nan 0.000 0.695 296 L N 0.917 122.448 121.223 0.514 0.000 2.201 296 L HA -0.113 4.228 4.340 0.002 0.000 0.212 296 L C 2.508 179.475 176.870 0.162 0.000 1.105 296 L CA 1.117 56.118 54.840 0.268 0.000 0.775 296 L CB -1.028 41.186 42.059 0.258 0.000 0.913 296 L HN 0.076 nan 8.230 nan 0.000 0.440 297 L N -0.564 120.770 121.223 0.185 0.000 2.056 297 L HA -0.182 4.159 4.340 0.002 0.000 0.207 297 L C 1.860 178.778 176.870 0.080 0.000 1.078 297 L CA 1.793 56.730 54.840 0.163 0.000 0.749 297 L CB -0.695 41.464 42.059 0.165 0.000 0.901 297 L HN 0.257 nan 8.230 nan 0.000 0.433 298 D N -0.842 119.597 120.400 0.065 0.000 2.104 298 D HA -0.223 4.418 4.640 0.002 0.000 0.194 298 D C 2.224 178.457 176.300 -0.111 0.000 0.994 298 D CA 1.351 55.339 54.000 -0.020 0.000 0.830 298 D CB -0.174 40.639 40.800 0.022 0.000 0.959 298 D HN 0.143 nan 8.370 nan 0.000 0.452 299 R N 0.481 120.934 120.500 -0.079 0.000 2.081 299 R HA -0.052 4.290 4.340 0.002 0.000 0.235 299 R C 1.946 178.143 176.300 -0.172 0.000 1.131 299 R CA 0.796 56.817 56.100 -0.132 0.000 0.960 299 R CB -0.911 29.314 30.300 -0.124 0.000 0.856 299 R HN 0.211 nan 8.270 nan 0.000 0.436 300 L N 0.010 121.152 121.223 -0.135 0.000 2.046 300 L HA 0.042 4.383 4.340 0.002 0.000 0.208 300 L C 2.098 178.657 176.870 -0.517 0.000 1.077 300 L CA 2.380 57.126 54.840 -0.156 0.000 0.747 300 L CB -1.137 40.963 42.059 0.068 0.000 0.896 300 L HN 0.350 nan 8.230 nan 0.000 0.432 301 G N -0.746 107.523 108.800 -0.885 0.000 2.422 301 G HA2 -0.287 3.675 3.960 0.002 0.000 0.218 301 G HA3 -0.287 3.675 3.960 0.002 0.000 0.218 301 G C 1.358 175.791 174.900 -0.779 0.000 1.146 301 G CA 0.789 44.896 45.100 -1.655 0.000 0.769 301 G HN 0.672 nan 8.290 nan 0.000 0.547 302 E N -0.133 119.807 120.200 -0.433 0.000 2.107 302 E HA -0.022 4.330 4.350 0.002 0.000 0.191 302 E C 2.441 178.910 176.600 -0.219 0.000 0.982 302 E CA 0.251 56.495 56.400 -0.260 0.000 0.809 302 E CB -0.208 29.385 29.700 -0.179 0.000 0.756 302 E HN 0.157 nan 8.360 nan 0.000 0.459 303 R N 0.625 120.988 120.500 -0.228 0.000 2.062 303 R HA 0.057 4.398 4.340 0.002 0.000 0.229 303 R C 2.409 178.619 176.300 -0.150 0.000 1.128 303 R CA 1.017 57.022 56.100 -0.158 0.000 0.960 303 R CB -0.309 29.912 30.300 -0.132 0.000 0.855 303 R HN 0.342 nan 8.270 nan 0.000 0.432 304 L N -1.217 119.862 121.223 -0.241 0.000 2.477 304 L HA 0.214 4.556 4.340 0.002 0.000 0.220 304 L C 0.808 177.587 176.870 -0.152 0.000 1.106 304 L CA 0.582 55.288 54.840 -0.223 0.000 0.851 304 L CB 0.202 41.997 42.059 -0.440 0.000 0.994 304 L HN 0.407 nan 8.230 nan 0.000 0.462 305 G N 1.042 109.722 108.800 -0.200 0.000 2.327 305 G HA2 -0.200 3.761 3.960 0.002 0.000 0.159 305 G HA3 -0.200 3.761 3.960 0.002 0.000 0.159 305 G C -0.326 174.657 174.900 0.138 0.000 1.056 305 G CA -0.235 44.858 45.100 -0.012 0.000 0.751 305 G HN 0.258 nan 8.290 nan 0.000 0.488 306 F N -0.751 119.185 119.950 -0.024 0.000 2.591 306 F HA 0.832 5.361 4.527 0.004 0.000 0.309 306 F C 0.442 176.297 175.800 0.092 0.000 1.098 306 F CA -1.243 56.809 58.000 0.088 0.000 0.937 306 F CB 0.869 39.971 39.000 0.170 0.000 1.250 306 F HN 0.376 nan 8.300 nan 0.000 0.447 307 G N 1.084 110.073 108.800 0.315 0.000 2.569 307 G HA2 0.502 4.464 3.960 0.002 0.000 0.249 307 G HA3 0.502 4.464 3.960 0.002 0.000 0.249 307 G C -1.434 173.621 174.900 0.258 0.000 1.216 307 G CA -0.627 44.586 45.100 0.187 0.000 0.845 307 G HN 0.741 nan 8.290 nan 0.000 0.568 308 V N 0.766 120.755 119.914 0.126 0.000 2.569 308 V HA 0.405 4.526 4.120 0.002 0.000 0.301 308 V C -0.052 176.086 176.094 0.074 0.000 1.044 308 V CA -0.694 61.681 62.300 0.126 0.000 0.874 308 V CB 1.902 33.769 31.823 0.074 0.000 1.002 308 V HN 0.805 nan 8.190 nan 0.000 0.424 309 T N 3.285 117.883 114.554 0.072 0.000 2.795 309 T HA 0.474 4.825 4.350 0.002 0.000 0.282 309 T C 0.055 174.762 174.700 0.011 0.000 0.980 309 T CA -0.225 61.899 62.100 0.040 0.000 1.012 309 T CB 1.272 70.172 68.868 0.053 0.000 0.936 309 T HN 0.671 nan 8.240 nan 0.000 0.457 310 T N 3.465 118.008 114.554 -0.019 0.000 2.794 310 T HA 0.641 4.993 4.350 0.002 0.000 0.280 310 T C 0.378 174.999 174.700 -0.131 0.000 0.987 310 T CA -0.775 61.297 62.100 -0.047 0.000 0.993 310 T CB 1.112 69.972 68.868 -0.014 0.000 0.939 310 T HN 0.764 nan 8.240 nan 0.000 0.449 311 T N 1.535 115.980 114.554 -0.183 0.000 2.930 311 T HA 0.702 5.054 4.350 0.002 0.000 0.290 311 T C -3.027 171.342 174.700 -0.552 0.000 1.052 311 T CA -2.660 59.208 62.100 -0.386 0.000 1.017 311 T CB 1.606 70.336 68.868 -0.230 0.000 1.137 311 T HN 0.114 nan 8.240 nan 0.000 0.511 312 P HA 0.266 nan 4.420 nan 0.000 0.273 312 P C -0.370 176.630 177.300 -0.501 0.000 1.250 312 P CA -0.621 61.980 63.100 -0.832 0.000 0.793 312 P CB 0.322 31.336 31.700 -1.143 0.000 1.011 313 V N 0.980 120.774 119.914 -0.200 0.000 2.655 313 V HA 0.448 4.570 4.120 0.002 0.000 0.300 313 V C 0.879 177.034 176.094 0.101 0.000 1.044 313 V CA 1.350 63.633 62.300 -0.029 0.000 1.095 313 V CB -0.447 31.390 31.823 0.022 0.000 0.952 313 V HN 0.941 nan 8.190 nan 0.000 0.485 314 G N 3.670 112.575 108.800 0.174 0.000 2.621 314 G HA2 -0.069 3.893 3.960 0.002 0.000 0.355 314 G HA3 -0.069 3.893 3.960 0.002 0.000 0.355 314 G C -0.502 174.568 174.900 0.283 0.000 1.509 314 G CA -0.444 44.822 45.100 0.277 0.000 1.000 314 G HN 0.611 nan 8.290 nan 0.000 0.646 315 F N 2.540 122.530 119.950 0.067 0.000 2.408 315 F HA -0.042 4.487 4.527 0.002 0.000 0.300 315 F C 2.734 178.520 175.800 -0.023 0.000 1.090 315 F CA 2.061 60.056 58.000 -0.009 0.000 1.427 315 F CB 0.242 39.204 39.000 -0.064 0.000 1.070 315 F HN 0.652 nan 8.300 nan 0.000 0.549 316 K N -0.823 119.614 120.400 0.062 0.000 2.103 316 K HA -0.246 4.075 4.320 0.002 0.000 0.207 316 K C 1.750 178.221 176.600 -0.216 0.000 1.048 316 K CA 2.060 58.289 56.287 -0.096 0.000 0.930 316 K CB -1.263 31.142 32.500 -0.158 0.000 0.716 316 K HN 0.355 nan 8.250 nan 0.000 0.444 317 W N 1.567 122.749 121.300 -0.197 0.000 2.388 317 W HA 0.082 4.745 4.660 0.005 0.000 0.294 317 W C 2.020 178.351 176.519 -0.312 0.000 1.212 317 W CA 0.400 57.625 57.345 -0.200 0.000 1.271 317 W CB -0.185 29.183 29.460 -0.154 0.000 1.126 317 W HN -0.039 nan 8.180 nan 0.000 0.535 318 I N 0.241 120.609 120.570 -0.336 0.000 2.286 318 I HA -0.240 3.932 4.170 0.002 0.000 0.245 318 I C 2.448 178.074 176.117 -0.819 0.000 1.104 318 I CA 1.290 62.189 61.300 -0.668 0.000 1.397 318 I CB -0.556 36.760 38.000 -1.140 0.000 1.072 318 I HN -0.078 nan 8.210 nan 0.000 0.417 319 K N 1.457 121.358 120.400 -0.831 0.000 2.057 319 K HA -0.270 4.052 4.320 0.002 0.000 0.207 319 K C 2.085 178.593 176.600 -0.153 0.000 1.049 319 K CA 1.817 57.834 56.287 -0.450 0.000 0.931 319 K CB -0.112 32.280 32.500 -0.180 0.000 0.714 319 K HN 0.248 nan 8.250 nan 0.000 0.440 320 E N 0.143 120.261 120.200 -0.138 0.000 2.070 320 E HA -0.234 4.117 4.350 0.002 0.000 0.197 320 E C 1.675 178.287 176.600 0.021 0.000 1.004 320 E CA 1.459 57.828 56.400 -0.051 0.000 0.805 320 E CB 0.106 29.758 29.700 -0.080 0.000 0.744 320 E HN 0.311 nan 8.360 nan 0.000 0.451 321 E N -0.047 120.172 120.200 0.032 0.000 2.106 321 E HA -0.148 4.204 4.350 0.002 0.000 0.192 321 E C 1.904 178.647 176.600 0.238 0.000 0.984 321 E CA 0.602 57.073 56.400 0.118 0.000 0.806 321 E CB -0.368 29.402 29.700 0.117 0.000 0.750 321 E HN 0.321 nan 8.360 nan 0.000 0.458 322 F N 1.099 121.028 119.950 -0.035 0.000 2.126 322 F HA -0.110 4.418 4.527 0.002 0.000 0.299 322 F C 2.307 178.120 175.800 0.022 0.000 1.096 322 F CA 0.709 58.706 58.000 -0.005 0.000 1.255 322 F CB -0.873 38.123 39.000 -0.008 0.000 0.997 322 F HN -0.015 nan 8.300 nan 0.000 0.479 323 L N -0.338 121.019 121.223 0.223 0.000 2.450 323 L HA -0.209 4.133 4.340 0.002 0.000 0.224 323 L C 2.312 179.240 176.870 0.096 0.000 1.149 323 L CA 0.989 55.909 54.840 0.133 0.000 0.816 323 L CB -0.638 41.478 42.059 0.095 0.000 0.932 323 L HN 0.130 nan 8.230 nan 0.000 0.449 324 K N 0.631 121.091 120.400 0.099 0.000 2.217 324 K HA -0.083 4.238 4.320 0.002 0.000 0.202 324 K C 1.351 177.991 176.600 0.066 0.000 1.051 324 K CA 0.912 57.244 56.287 0.075 0.000 0.952 324 K CB 0.011 32.558 32.500 0.079 0.000 0.736 324 K HN 0.338 nan 8.250 nan 0.000 0.453 325 G N 1.281 110.121 108.800 0.067 0.000 2.136 325 G HA2 -0.221 3.740 3.960 0.002 0.000 0.242 325 G HA3 -0.221 3.740 3.960 0.002 0.000 0.242 325 G C 0.111 175.035 174.900 0.039 0.000 0.989 325 G CA 0.473 45.600 45.100 0.045 0.000 0.682 325 G HN 0.490 nan 8.290 nan 0.000 0.522 326 D N -0.219 120.212 120.400 0.051 0.000 2.623 326 D HA 0.374 5.016 4.640 0.002 0.000 0.252 326 D C 0.603 176.957 176.300 0.091 0.000 1.294 326 D CA 0.056 54.097 54.000 0.069 0.000 0.824 326 D CB -0.309 40.537 40.800 0.077 0.000 1.070 326 D HN 0.318 nan 8.370 nan 0.000 0.487 327 C N 0.060 119.379 119.300 0.032 0.000 2.562 327 C HA 0.583 5.044 4.460 0.002 0.000 0.332 327 C C 0.996 175.987 174.990 0.002 0.000 1.201 327 C CA -0.800 58.219 59.018 0.002 0.000 1.803 327 C CB 0.670 28.330 27.740 -0.133 0.000 2.328 327 C HN 0.377 nan 8.230 nan 0.000 0.500 328 F N -0.325 119.552 119.950 -0.121 0.000 2.817 328 F HA 0.708 5.236 4.527 0.002 0.000 0.333 328 F C -0.183 175.557 175.800 -0.101 0.000 1.085 328 F CA -0.323 57.627 58.000 -0.084 0.000 1.170 328 F CB 0.080 39.084 39.000 0.006 0.000 1.066 328 F HN 0.435 nan 8.300 nan 0.000 0.564 329 I N 0.246 120.441 120.570 -0.626 0.000 2.793 329 I HA 0.611 4.783 4.170 0.002 0.000 0.295 329 I C -1.503 174.529 176.117 -0.141 0.000 1.610 329 I CA -0.849 60.199 61.300 -0.419 0.000 0.986 329 I CB 2.076 39.757 38.000 -0.532 0.000 1.402 329 I HN 0.182 nan 8.210 nan 0.000 0.500 330 G N 3.519 112.395 108.800 0.125 0.000 2.731 330 G HA2 0.749 4.710 3.960 0.002 0.000 0.298 330 G HA3 0.749 4.710 3.960 0.002 0.000 0.298 330 G C -1.302 173.599 174.900 0.002 0.000 1.424 330 G CA -0.295 44.897 45.100 0.154 0.000 1.029 330 G HN 0.938 nan 8.290 nan 0.000 0.518 331 G N 0.183 108.963 108.800 -0.033 0.000 2.690 331 G HA2 0.718 4.680 3.960 0.002 0.000 0.291 331 G HA3 0.718 4.680 3.960 0.002 0.000 0.291 331 G C -1.204 173.682 174.900 -0.024 0.000 1.403 331 G CA -0.660 44.423 45.100 -0.028 0.000 0.864 331 G HN 0.580 nan 8.290 nan 0.000 0.480 332 E N -0.751 119.433 120.200 -0.027 0.000 2.339 332 E HA 0.321 4.672 4.350 0.002 0.000 0.262 332 E C -0.072 176.454 176.600 -0.123 0.000 0.934 332 E CA -0.682 55.698 56.400 -0.034 0.000 0.802 332 E CB 1.960 31.671 29.700 0.018 0.000 1.275 332 E HN 0.521 nan 8.360 nan 0.000 0.427 333 E N -0.388 119.741 120.200 -0.117 0.000 2.511 333 E HA -0.016 4.336 4.350 0.002 0.000 0.196 333 E C 0.773 177.234 176.600 -0.232 0.000 1.066 333 E CA 0.468 56.707 56.400 -0.268 0.000 0.871 333 E CB 0.033 29.720 29.700 -0.022 0.000 0.863 333 E HN 0.105 nan 8.360 nan 0.000 0.520 334 S N -0.426 115.192 115.700 -0.136 0.000 2.556 334 S HA 0.386 4.858 4.470 0.002 0.000 0.216 334 S C 1.366 175.882 174.600 -0.141 0.000 0.970 334 S CA 0.178 58.298 58.200 -0.134 0.000 0.912 334 S CB 0.489 63.603 63.200 -0.143 0.000 0.790 334 S HN 0.597 nan 8.310 nan 0.000 0.504 335 G N 1.118 109.832 108.800 -0.144 0.000 2.195 335 G HA2 -0.153 3.808 3.960 0.002 0.000 0.224 335 G HA3 -0.153 3.808 3.960 0.002 0.000 0.224 335 G C 0.278 175.133 174.900 -0.076 0.000 0.990 335 G CA -0.417 44.620 45.100 -0.105 0.000 0.639 335 G HN 0.757 nan 8.290 nan 0.000 0.514 336 G N -0.236 108.516 108.800 -0.081 0.000 2.355 336 G HA2 0.645 4.607 3.960 0.002 0.000 0.276 336 G HA3 0.645 4.607 3.960 0.002 0.000 0.276 336 G C -0.401 174.469 174.900 -0.050 0.000 1.198 336 G CA 0.296 45.351 45.100 -0.075 0.000 0.876 336 G HN 1.066 nan 8.290 nan 0.000 0.478 337 V N 1.595 121.470 119.914 -0.065 0.000 2.709 337 V HA 0.834 4.955 4.120 0.002 0.000 0.308 337 V C 0.553 176.486 176.094 -0.267 0.000 1.062 337 V CA -0.556 61.660 62.300 -0.140 0.000 0.901 337 V CB 1.900 33.639 31.823 -0.140 0.000 1.003 337 V HN 1.006 nan 8.190 nan 0.000 0.425 338 G N 2.039 110.692 108.800 -0.246 0.000 2.453 338 G HA2 0.694 4.656 3.960 0.002 0.000 0.323 338 G HA3 0.694 4.656 3.960 0.002 0.000 0.323 338 G C -1.905 172.810 174.900 -0.309 0.000 1.198 338 G CA -0.471 44.593 45.100 -0.059 0.000 0.959 338 G HN 0.511 nan 8.290 nan 0.000 0.482 339 Y N 2.024 122.555 120.300 0.386 0.000 2.426 339 Y HA 0.322 4.874 4.550 0.003 0.000 0.325 339 Y C -1.369 174.549 175.900 0.031 0.000 0.989 339 Y CA -2.273 55.896 58.100 0.114 0.000 1.284 339 Y CB 2.379 40.867 38.460 0.047 0.000 1.104 339 Y HN 0.405 nan 8.280 nan 0.000 0.481 340 P HA -0.287 nan 4.420 nan 0.000 0.217 340 P C 0.544 177.823 177.300 -0.035 0.000 1.158 340 P CA 2.124 65.006 63.100 -0.364 0.000 0.887 340 P CB 0.398 31.662 31.700 -0.728 0.000 0.792 341 E N -1.753 118.443 120.200 -0.006 0.000 2.478 341 E HA -0.156 4.195 4.350 0.002 0.000 0.198 341 E C 1.812 178.400 176.600 -0.020 0.000 1.046 341 E CA 0.922 57.346 56.400 0.040 0.000 0.870 341 E CB -1.042 28.713 29.700 0.092 0.000 0.818 341 E HN 0.483 nan 8.360 nan 0.000 0.527 342 H N 0.114 119.060 119.070 -0.206 0.000 2.320 342 H HA 0.485 5.042 4.556 0.002 0.000 0.321 342 H C -0.212 175.202 175.328 0.143 0.000 1.141 342 H CA 0.528 56.458 56.048 -0.196 0.000 1.670 342 H CB 0.369 29.999 29.762 -0.221 0.000 1.515 342 H HN 0.082 nan 8.280 nan 0.000 0.638 343 L N 0.994 122.205 121.223 -0.020 0.000 2.506 343 L HA 0.348 4.689 4.340 0.002 0.000 0.257 343 L C -2.480 174.537 176.870 0.245 0.000 0.964 343 L CA -2.035 52.807 54.840 0.002 0.000 0.836 343 L CB 3.306 45.255 42.059 -0.184 0.000 1.384 343 L HN 0.258 nan 8.230 nan 0.000 0.410 344 P HA 0.169 nan 4.420 nan 0.000 0.220 344 P C -0.966 176.541 177.300 0.345 0.000 1.806 344 P CA 0.181 63.521 63.100 0.401 0.000 0.976 344 P CB 0.385 32.259 31.700 0.289 0.000 1.952 345 E N 0.655 121.023 120.200 0.280 0.000 2.412 345 E HA 0.373 4.725 4.350 0.002 0.000 0.279 345 E C -0.883 175.613 176.600 -0.173 0.000 0.984 345 E CA -0.926 55.455 56.400 -0.033 0.000 0.788 345 E CB 1.491 31.176 29.700 -0.024 0.000 1.277 345 E HN -0.067 nan 8.360 nan 0.000 0.455 346 R N 1.760 121.909 120.500 -0.584 0.000 2.347 346 R HA 0.316 4.657 4.340 0.002 0.000 0.304 346 R C -0.819 175.423 176.300 -0.097 0.000 1.072 346 R CA -0.176 55.705 56.100 -0.366 0.000 0.980 346 R CB 0.513 30.511 30.300 -0.503 0.000 0.986 346 R HN 0.335 nan 8.270 nan 0.000 0.448 347 D N 2.250 122.693 120.400 0.071 0.000 2.421 347 D HA 0.155 4.796 4.640 0.002 0.000 0.254 347 D C 0.759 177.153 176.300 0.156 0.000 1.238 347 D CA -0.410 53.691 54.000 0.167 0.000 0.919 347 D CB 1.582 42.600 40.800 0.364 0.000 1.152 347 D HN 0.650 nan 8.370 nan 0.000 0.552 348 G N 3.247 112.091 108.800 0.073 0.000 2.484 348 G HA2 -0.120 3.841 3.960 0.002 0.000 0.218 348 G HA3 -0.120 3.841 3.960 0.002 0.000 0.218 348 G C 1.423 176.349 174.900 0.044 0.000 1.130 348 G CA 0.279 45.414 45.100 0.059 0.000 0.784 348 G HN 0.525 nan 8.290 nan 0.000 0.543 349 I N 0.415 121.018 120.570 0.055 0.000 2.233 349 I HA -0.000 4.171 4.170 0.002 0.000 0.243 349 I C 2.519 178.592 176.117 -0.073 0.000 1.093 349 I CA 0.588 61.903 61.300 0.025 0.000 1.380 349 I CB -1.059 37.037 38.000 0.160 0.000 1.067 349 I HN 0.146 nan 8.210 nan 0.000 0.413 350 L N 0.812 121.994 121.223 -0.069 0.000 2.141 350 L HA -0.134 4.207 4.340 0.002 0.000 0.209 350 L C 2.403 179.141 176.870 -0.220 0.000 1.094 350 L CA 1.917 56.606 54.840 -0.252 0.000 0.763 350 L CB -1.004 40.849 42.059 -0.344 0.000 0.908 350 L HN 0.152 nan 8.230 nan 0.000 0.437 351 T N -1.008 113.550 114.554 0.007 0.000 2.746 351 T HA -0.147 4.204 4.350 0.002 0.000 0.267 351 T C 1.985 176.678 174.700 -0.011 0.000 1.039 351 T CA 1.621 63.770 62.100 0.081 0.000 1.142 351 T CB -0.274 68.711 68.868 0.194 0.000 0.866 351 T HN 0.405 nan 8.240 nan 0.000 0.444 352 S N 1.390 117.069 115.700 -0.034 0.000 2.356 352 S HA 0.015 4.486 4.470 0.002 0.000 0.223 352 S C 2.038 176.580 174.600 -0.097 0.000 1.032 352 S CA 0.944 59.115 58.200 -0.047 0.000 1.005 352 S CB -0.474 62.657 63.200 -0.115 0.000 0.867 352 S HN 0.362 nan 8.310 nan 0.000 0.449 353 L N 0.852 121.966 121.223 -0.181 0.000 2.141 353 L HA -0.049 4.292 4.340 0.002 0.000 0.209 353 L C 2.163 178.919 176.870 -0.189 0.000 1.094 353 L CA 0.880 55.585 54.840 -0.225 0.000 0.763 353 L CB -0.497 41.331 42.059 -0.385 0.000 0.908 353 L HN 0.279 nan 8.230 nan 0.000 0.437 354 L N -0.781 120.323 121.223 -0.199 0.000 2.156 354 L HA -0.181 4.161 4.340 0.002 0.000 0.208 354 L C 2.445 179.221 176.870 -0.158 0.000 1.095 354 L CA 0.863 55.603 54.840 -0.166 0.000 0.770 354 L CB -0.300 41.632 42.059 -0.213 0.000 0.914 354 L HN 0.250 nan 8.230 nan 0.000 0.439 355 L N -0.766 120.391 121.223 -0.109 0.000 2.046 355 L HA -0.245 4.097 4.340 0.002 0.000 0.208 355 L C 2.542 179.324 176.870 -0.146 0.000 1.077 355 L CA 0.864 55.624 54.840 -0.132 0.000 0.747 355 L CB -0.429 41.603 42.059 -0.045 0.000 0.896 355 L HN 0.239 nan 8.230 nan 0.000 0.432 356 L N 0.102 121.301 121.223 -0.040 0.000 2.042 356 L HA -0.245 4.096 4.340 0.002 0.000 0.210 356 L C 2.484 179.238 176.870 -0.193 0.000 1.076 356 L CA 1.835 56.590 54.840 -0.143 0.000 0.749 356 L CB -0.556 41.337 42.059 -0.276 0.000 0.893 356 L HN 0.281 nan 8.230 nan 0.000 0.432 357 E N -0.860 119.238 120.200 -0.170 0.000 2.051 357 E HA -0.248 4.103 4.350 0.002 0.000 0.192 357 E C 2.229 178.655 176.600 -0.290 0.000 0.991 357 E CA 1.563 57.883 56.400 -0.132 0.000 0.799 357 E CB -0.148 29.523 29.700 -0.048 0.000 0.748 357 E HN 0.718 nan 8.360 nan 0.000 0.449 358 S N -0.041 115.285 115.700 -0.622 0.000 2.370 358 S HA -0.165 4.307 4.470 0.002 0.000 0.226 358 S C 2.123 176.477 174.600 -0.410 0.000 1.033 358 S CA 1.531 59.119 58.200 -1.020 0.000 1.011 358 S CB -0.741 61.902 63.200 -0.928 0.000 0.852 358 S HN 0.175 nan 8.310 nan 0.000 0.457 359 V N 2.580 122.354 119.914 -0.233 0.000 2.343 359 V HA -0.087 4.035 4.120 0.002 0.000 0.247 359 V C 3.176 179.318 176.094 0.080 0.000 1.051 359 V CA 1.678 63.948 62.300 -0.050 0.000 1.036 359 V CB -1.555 30.302 31.823 0.056 0.000 0.654 359 V HN 0.700 nan 8.190 nan 0.000 0.451 360 A N -0.057 122.841 122.820 0.130 0.000 1.873 360 A HA -0.057 4.264 4.320 0.002 0.000 0.215 360 A C 2.415 180.058 177.584 0.097 0.000 1.186 360 A CA 2.006 54.150 52.037 0.179 0.000 0.616 360 A CB -0.798 18.328 19.000 0.210 0.000 0.823 360 A HN 0.546 nan 8.150 nan 0.000 0.442 361 A N -0.345 122.516 122.820 0.068 0.000 1.898 361 A HA -0.084 4.238 4.320 0.002 0.000 0.216 361 A C 2.453 180.106 177.584 0.116 0.000 1.181 361 A CA 2.545 54.654 52.037 0.120 0.000 0.620 361 A CB -1.304 17.840 19.000 0.240 0.000 0.819 361 A HN 0.756 nan 8.150 nan 0.000 0.442 362 T N -4.246 110.359 114.554 0.085 0.000 2.942 362 T HA 0.328 4.679 4.350 0.002 0.000 0.265 362 T C 1.570 176.305 174.700 0.058 0.000 1.062 362 T CA 1.332 63.484 62.100 0.087 0.000 1.139 362 T CB -0.367 68.543 68.868 0.070 0.000 0.883 362 T HN 1.780 nan 8.240 nan 0.000 0.468 363 G N 1.266 110.095 108.800 0.048 0.000 2.136 363 G HA2 -0.216 3.746 3.960 0.002 0.000 0.242 363 G HA3 -0.216 3.746 3.960 0.002 0.000 0.242 363 G C -0.157 174.760 174.900 0.029 0.000 0.989 363 G CA 0.226 45.350 45.100 0.040 0.000 0.682 363 G HN 0.725 nan 8.290 nan 0.000 0.522 364 K N 0.871 121.283 120.400 0.021 0.000 2.324 364 K HA 0.493 4.815 4.320 0.002 0.000 0.253 364 K C -0.203 176.385 176.600 -0.021 0.000 0.932 364 K CA -0.597 55.695 56.287 0.009 0.000 0.799 364 K CB 1.679 34.189 32.500 0.017 0.000 1.154 364 K HN 0.317 nan 8.250 nan 0.000 0.425 365 D N 1.315 121.698 120.400 -0.029 0.000 2.363 365 D HA -0.026 4.615 4.640 0.002 0.000 0.240 365 D C 1.069 177.261 176.300 -0.181 0.000 1.236 365 D CA -0.315 53.633 54.000 -0.088 0.000 0.927 365 D CB 0.621 41.388 40.800 -0.055 0.000 1.150 365 D HN 0.359 nan 8.370 nan 0.000 0.458 366 L N 0.007 120.994 121.223 -0.392 0.000 2.079 366 L HA -0.200 4.142 4.340 0.002 0.000 0.210 366 L C 2.553 179.235 176.870 -0.314 0.000 1.081 366 L CA 1.716 56.224 54.840 -0.554 0.000 0.752 366 L CB -0.722 40.611 42.059 -1.210 0.000 0.896 366 L HN 0.651 nan 8.230 nan 0.000 0.433 367 A N -0.374 122.310 122.820 -0.227 0.000 1.902 367 A HA -0.182 4.139 4.320 0.002 0.000 0.217 367 A C 2.218 179.889 177.584 0.144 0.000 1.181 367 A CA 1.469 53.544 52.037 0.062 0.000 0.623 367 A CB -0.302 18.721 19.000 0.038 0.000 0.818 367 A HN 0.340 nan 8.150 nan 0.000 0.443 368 E N 0.001 120.234 120.200 0.055 0.000 2.152 368 E HA -0.162 4.189 4.350 0.002 0.000 0.192 368 E C 2.153 178.802 176.600 0.082 0.000 0.983 368 E CA 1.092 57.530 56.400 0.064 0.000 0.818 368 E CB -0.415 29.304 29.700 0.031 0.000 0.758 368 E HN 0.777 nan 8.360 nan 0.000 0.467 369 Q N -0.507 119.343 119.800 0.083 0.000 2.119 369 Q HA -0.113 4.228 4.340 0.002 0.000 0.201 369 Q C 1.985 178.098 176.000 0.188 0.000 0.972 369 Q CA 0.962 56.832 55.803 0.112 0.000 0.847 369 Q CB -0.202 28.587 28.738 0.085 0.000 0.903 369 Q HN 0.191 nan 8.270 nan 0.000 0.433 370 F N 1.780 121.821 119.950 0.152 0.000 2.234 370 F HA -0.125 4.403 4.527 0.001 0.000 0.299 370 F C 1.812 177.679 175.800 0.111 0.000 1.087 370 F CA 1.060 59.160 58.000 0.168 0.000 1.340 370 F CB 0.141 39.303 39.000 0.270 0.000 1.031 370 F HN -0.154 nan 8.300 nan 0.000 0.500 371 K N 0.333 120.755 120.400 0.038 0.000 2.147 371 K HA -0.219 4.102 4.320 0.002 0.000 0.205 371 K C 1.956 178.495 176.600 -0.102 0.000 1.049 371 K CA 1.496 57.753 56.287 -0.050 0.000 0.936 371 K CB -0.494 32.031 32.500 0.042 0.000 0.722 371 K HN 0.344 nan 8.250 nan 0.000 0.446 372 E N 0.974 121.144 120.200 -0.050 0.000 2.152 372 E HA -0.084 4.268 4.350 0.002 0.000 0.192 372 E C 1.836 178.389 176.600 -0.078 0.000 0.983 372 E CA 0.641 57.022 56.400 -0.032 0.000 0.818 372 E CB -0.022 29.693 29.700 0.025 0.000 0.758 372 E HN -0.050 nan 8.360 nan 0.000 0.467 373 V N 0.943 120.766 119.914 -0.153 0.000 2.343 373 V HA -0.233 3.888 4.120 0.002 0.000 0.247 373 V C 2.116 178.050 176.094 -0.267 0.000 1.051 373 V CA 2.229 64.414 62.300 -0.191 0.000 1.036 373 V CB -0.495 31.170 31.823 -0.265 0.000 0.654 373 V HN 0.316 nan 8.190 nan 0.000 0.451 374 E N 0.010 119.956 120.200 -0.424 0.000 2.110 374 E HA -0.180 4.171 4.350 0.002 0.000 0.193 374 E C 2.297 178.814 176.600 -0.139 0.000 0.988 374 E CA 1.237 57.464 56.400 -0.289 0.000 0.804 374 E CB -0.282 29.241 29.700 -0.295 0.000 0.745 374 E HN 0.614 nan 8.360 nan 0.000 0.458 375 A N 1.000 123.753 122.820 -0.111 0.000 1.873 375 A HA -0.129 4.192 4.320 0.002 0.000 0.215 375 A C 2.144 179.697 177.584 -0.052 0.000 1.186 375 A CA 0.937 52.937 52.037 -0.060 0.000 0.616 375 A CB -0.554 18.423 19.000 -0.038 0.000 0.823 375 A HN 0.134 nan 8.150 nan 0.000 0.442 376 L N 0.007 121.200 121.223 -0.051 0.000 2.201 376 L HA -0.124 4.218 4.340 0.002 0.000 0.212 376 L C 2.752 179.589 176.870 -0.056 0.000 1.105 376 L CA 1.691 56.508 54.840 -0.038 0.000 0.775 376 L CB -0.630 41.419 42.059 -0.017 0.000 0.913 376 L HN 0.667 nan 8.230 nan 0.000 0.440 377 T N -4.501 110.011 114.554 -0.070 0.000 3.051 377 T HA 0.177 4.528 4.350 0.002 0.000 0.255 377 T C 1.539 176.192 174.700 -0.078 0.000 1.085 377 T CA 0.521 62.575 62.100 -0.076 0.000 1.109 377 T CB 0.421 69.250 68.868 -0.066 0.000 0.921 377 T HN 0.398 nan 8.240 nan 0.000 0.488 378 G N 1.307 110.066 108.800 -0.068 0.000 2.143 378 G HA2 -0.185 3.777 3.960 0.002 0.000 0.248 378 G HA3 -0.185 3.777 3.960 0.002 0.000 0.248 378 G C -0.167 174.702 174.900 -0.053 0.000 0.991 378 G CA 0.390 45.455 45.100 -0.058 0.000 0.689 378 G HN 0.652 nan 8.290 nan 0.000 0.522 379 L N -0.225 120.971 121.223 -0.045 0.000 2.341 379 L HA 0.728 5.070 4.340 0.002 0.000 0.267 379 L C 0.246 177.143 176.870 0.044 0.000 1.009 379 L CA -1.009 53.829 54.840 -0.003 0.000 0.819 379 L CB 2.346 44.403 42.059 -0.004 0.000 1.323 379 L HN 0.071 nan 8.230 nan 0.000 0.425 380 T N -0.896 113.720 114.554 0.103 0.000 2.895 380 T HA 0.398 4.749 4.350 0.002 0.000 0.283 380 T C -1.142 173.715 174.700 0.261 0.000 1.014 380 T CA -0.396 61.791 62.100 0.144 0.000 1.037 380 T CB 1.215 70.146 68.868 0.105 0.000 1.006 380 T HN 0.506 nan 8.240 nan 0.000 0.468 381 H N 0.543 119.749 119.070 0.225 0.000 2.538 381 H HA 0.715 5.272 4.556 0.002 0.000 0.353 381 H C -1.035 174.385 175.328 0.155 0.000 1.109 381 H CA -0.452 55.742 56.048 0.243 0.000 1.192 381 H CB 0.957 30.954 29.762 0.391 0.000 1.555 381 H HN 0.831 nan 8.280 nan 0.000 0.518 382 A N 4.440 126.873 122.820 -0.645 0.000 2.520 382 A HA 0.557 4.878 4.320 0.002 0.000 0.298 382 A C -2.193 175.041 177.584 -0.584 0.000 1.051 382 A CA -0.577 51.168 52.037 -0.487 0.000 0.690 382 A CB 1.041 19.921 19.000 -0.201 0.000 1.281 382 A HN 0.698 nan 8.150 nan 0.000 0.402 383 Y N 0.847 120.838 120.300 -0.514 0.000 2.592 383 Y HA 0.655 5.206 4.550 0.002 0.000 0.334 383 Y C -1.763 174.005 175.900 -0.220 0.000 1.136 383 Y CA -0.573 57.281 58.100 -0.411 0.000 1.042 383 Y CB 1.973 40.199 38.460 -0.389 0.000 1.325 383 Y HN 0.858 nan 8.280 nan 0.000 0.457 384 D N 2.234 121.962 120.400 -1.119 0.000 2.653 384 D HA 0.376 5.017 4.640 0.002 0.000 0.258 384 D C -1.922 173.798 176.300 -0.966 0.000 1.252 384 D CA -0.598 52.951 54.000 -0.751 0.000 0.777 384 D CB 2.037 42.593 40.800 -0.407 0.000 1.339 384 D HN 0.764 nan 8.370 nan 0.000 0.422 385 R N 1.733 121.907 120.500 -0.545 0.000 2.686 385 R HA 0.717 5.058 4.340 0.002 0.000 0.283 385 R C -1.851 174.230 176.300 -0.365 0.000 0.978 385 R CA -0.838 54.964 56.100 -0.497 0.000 0.897 385 R CB 1.268 31.335 30.300 -0.388 0.000 1.192 385 R HN 0.349 nan 8.270 nan 0.000 0.457 386 L N 4.260 125.261 121.223 -0.371 0.000 2.381 386 L HA 0.572 4.913 4.340 0.002 0.000 0.274 386 L C -1.697 175.029 176.870 -0.239 0.000 0.988 386 L CA -0.155 54.529 54.840 -0.260 0.000 0.824 386 L CB 1.702 43.629 42.059 -0.220 0.000 1.263 386 L HN 0.903 nan 8.230 nan 0.000 0.410 404 P HA 0.099 nan 4.420 nan 0.000 0.268 404 P C -0.664 176.666 177.300 0.051 0.000 1.205 404 P CA 0.099 63.222 63.100 0.040 0.000 0.771 404 P CB 1.049 32.764 31.700 0.025 0.000 0.858 405 L N 2.048 123.298 121.223 0.045 0.000 2.381 405 L HA 0.646 4.988 4.340 0.002 0.000 0.268 405 L C 0.806 177.611 176.870 -0.108 0.000 0.997 405 L CA -0.750 54.089 54.840 -0.001 0.000 0.818 405 L CB 1.630 43.738 42.059 0.080 0.000 1.310 405 L HN 0.676 nan 8.230 nan 0.000 0.416 406 A N 2.419 125.203 122.820 -0.061 0.000 5.699 406 A HA -0.184 4.138 4.320 0.002 0.000 0.280 406 A C 0.912 178.457 177.584 -0.063 0.000 2.071 406 A CA 0.654 52.648 52.037 -0.072 0.000 0.714 406 A CB -1.829 17.105 19.000 -0.110 0.000 1.162 406 A HN 1.141 nan 8.150 nan 0.000 0.363 407 G N -0.944 107.816 108.800 -0.066 0.000 3.702 407 G HA2 0.526 4.488 3.960 0.002 0.000 0.288 407 G HA3 0.526 4.488 3.960 0.002 0.000 0.288 407 G C 0.016 174.892 174.900 -0.041 0.000 1.193 407 G CA 0.304 45.379 45.100 -0.041 0.000 0.952 407 G HN 0.735 nan 8.290 nan 0.000 0.544 408 L N 0.921 122.095 121.223 -0.081 0.000 2.295 408 L HA 0.392 4.733 4.340 0.002 0.000 0.285 408 L C -0.068 176.858 176.870 0.092 0.000 1.035 408 L CA -0.615 54.193 54.840 -0.053 0.000 0.806 408 L CB 1.807 43.698 42.059 -0.281 0.000 1.214 408 L HN -0.111 nan 8.230 nan 0.000 0.426 409 T N 3.976 118.623 114.554 0.155 0.000 2.729 409 T HA 0.251 4.602 4.350 0.002 0.000 0.296 409 T C -2.170 172.691 174.700 0.268 0.000 0.928 409 T CA -1.060 61.138 62.100 0.164 0.000 1.045 409 T CB 0.640 69.560 68.868 0.088 0.000 0.902 409 T HN 0.397 nan 8.240 nan 0.000 0.500 410 P HA 0.091 nan 4.420 nan 0.000 0.268 410 P C -0.159 177.112 177.300 -0.048 0.000 1.208 410 P CA -0.177 62.883 63.100 -0.067 0.000 0.777 410 P CB 0.961 32.522 31.700 -0.233 0.000 0.875 411 K N 0.841 121.185 120.400 -0.093 0.000 2.826 411 K HA 0.427 4.748 4.320 0.002 0.000 0.206 411 K C 0.001 176.585 176.600 -0.027 0.000 1.116 411 K CA -0.115 56.161 56.287 -0.019 0.000 1.045 411 K CB -0.119 32.406 32.500 0.041 0.000 0.758 411 K HN 0.871 nan 8.250 nan 0.000 0.465 412 G N 0.100 108.863 108.800 -0.061 0.000 2.423 412 G HA2 -0.048 3.914 3.960 0.002 0.000 0.684 412 G HA3 -0.048 3.914 3.960 0.002 0.000 0.684 412 G C -1.669 173.240 174.900 0.014 0.000 1.309 412 G CA -0.727 44.362 45.100 -0.018 0.000 0.950 412 G HN 0.044 nan 8.290 nan 0.000 0.587 413 V N 0.339 120.297 119.914 0.073 0.000 2.925 413 V HA 0.776 4.898 4.120 0.002 0.000 0.311 413 V C -1.189 174.986 176.094 0.135 0.000 1.104 413 V CA -0.580 61.819 62.300 0.165 0.000 0.954 413 V CB 2.183 34.152 31.823 0.243 0.000 1.022 413 V HN 1.012 nan 8.190 nan 0.000 0.427 414 D N 1.605 122.108 120.400 0.172 0.000 2.620 414 D HA 0.385 5.026 4.640 0.002 0.000 0.252 414 D C 0.324 176.757 176.300 0.221 0.000 1.207 414 D CA -0.145 53.965 54.000 0.182 0.000 0.884 414 D CB 2.195 43.145 40.800 0.250 0.000 1.262 414 D HN 0.695 nan 8.370 nan 0.000 0.552 415 T N 1.494 116.091 114.554 0.073 0.000 3.243 415 T HA 0.062 4.414 4.350 0.002 0.000 0.264 415 T C 1.695 176.289 174.700 -0.178 0.000 1.000 415 T CA -0.402 61.704 62.100 0.010 0.000 0.901 415 T CB -0.051 68.825 68.868 0.013 0.000 1.083 415 T HN 0.232 nan 8.240 nan 0.000 0.559 416 L N 1.436 122.399 121.223 -0.434 0.000 2.013 416 L HA 0.104 4.446 4.340 0.002 0.000 0.212 416 L C 0.144 176.627 176.870 -0.645 0.000 1.073 416 L CA 1.957 56.390 54.840 -0.677 0.000 0.753 416 L CB -0.212 41.172 42.059 -1.125 0.000 0.890 416 L HN 0.465 nan 8.230 nan 0.000 0.432 417 D N -0.993 118.965 120.400 -0.736 0.000 2.337 417 D HA 0.477 5.118 4.640 0.002 0.000 0.238 417 D C -0.026 176.269 176.300 -0.008 0.000 1.331 417 D CA 0.664 54.461 54.000 -0.337 0.000 0.967 417 D CB 0.452 41.016 40.800 -0.393 0.000 1.382 417 D HN 0.578 nan 8.370 nan 0.000 0.549 418 G N 0.879 109.695 108.800 0.027 0.000 2.466 418 G HA2 -0.028 3.933 3.960 0.002 0.000 0.218 418 G HA3 -0.028 3.933 3.960 0.002 0.000 0.218 418 G C -1.250 173.729 174.900 0.132 0.000 1.237 418 G CA -0.264 44.904 45.100 0.112 0.000 0.954 418 G HN 0.977 nan 8.290 nan 0.000 0.580 419 V N 0.947 120.961 119.914 0.167 0.000 2.524 419 V HA 0.653 4.774 4.120 0.002 0.000 0.297 419 V C -0.006 176.174 176.094 0.142 0.000 1.035 419 V CA -0.400 61.973 62.300 0.122 0.000 0.867 419 V CB 1.654 33.459 31.823 -0.029 0.000 1.004 419 V HN 0.900 nan 8.190 nan 0.000 0.426 420 K N 4.253 124.750 120.400 0.161 0.000 2.339 420 K HA 0.405 4.726 4.320 0.002 0.000 0.264 420 K C -1.436 175.300 176.600 0.226 0.000 0.986 420 K CA -0.586 55.759 56.287 0.098 0.000 0.866 420 K CB 1.042 33.433 32.500 -0.182 0.000 1.103 420 K HN 0.568 nan 8.250 nan 0.000 0.441 421 W N 6.085 127.495 121.300 0.183 0.000 2.335 421 W HA 0.287 4.965 4.660 0.031 0.000 0.306 421 W C -0.175 176.257 176.519 -0.145 0.000 1.216 421 W CA -0.916 56.432 57.345 0.005 0.000 1.237 421 W CB 0.253 29.760 29.460 0.079 0.000 1.243 421 W HN 0.414 nan 8.180 nan 0.000 0.493 422 L N 4.881 126.085 121.223 -0.032 0.000 2.307 422 L HA 0.459 4.800 4.340 0.002 0.000 0.282 422 L C -0.620 176.095 176.870 -0.260 0.000 1.051 422 L CA -0.806 54.030 54.840 -0.008 0.000 0.804 422 L CB 0.482 42.587 42.059 0.077 0.000 1.197 422 L HN 0.271 nan 8.230 nan 0.000 0.431 423 Y N -0.307 120.182 120.300 0.314 0.000 2.638 423 Y HA 0.326 4.867 4.550 -0.015 0.000 0.339 423 Y C -0.168 175.896 175.900 0.273 0.000 1.084 423 Y CA -1.130 57.115 58.100 0.242 0.000 1.068 423 Y CB 1.346 39.936 38.460 0.217 0.000 1.294 423 Y HN 0.436 nan 8.280 nan 0.000 0.480 424 E N 1.243 121.652 120.200 0.348 0.000 2.217 424 E HA 0.194 4.546 4.350 0.002 0.000 0.279 424 E C -0.443 176.302 176.600 0.243 0.000 1.068 424 E CA 0.430 56.949 56.400 0.198 0.000 0.882 424 E CB -0.038 29.731 29.700 0.115 0.000 1.039 424 E HN 0.600 nan 8.360 nan 0.000 0.418 425 E N 0.871 121.193 120.200 0.203 0.000 3.801 425 E HA -0.275 4.076 4.350 0.002 0.000 0.319 425 E C -0.811 176.207 176.600 0.696 0.000 0.784 425 E CA 0.702 57.282 56.400 0.300 0.000 1.183 425 E CB -1.587 28.206 29.700 0.156 0.000 1.601 425 E HN 0.480 nan 8.360 nan 0.000 0.441 426 A N 0.097 123.447 122.820 0.883 0.000 2.574 426 A HA 0.669 4.991 4.320 0.002 0.000 0.297 426 A C -1.962 175.898 177.584 0.459 0.000 1.062 426 A CA -0.289 52.036 52.037 0.480 0.000 0.686 426 A CB 1.136 20.252 19.000 0.193 0.000 1.285 426 A HN 0.384 nan 8.150 nan 0.000 0.403 427 W N 1.529 122.742 121.300 -0.145 0.000 3.138 427 W HA 0.679 5.337 4.660 -0.004 0.000 0.331 427 W C -2.477 173.985 176.519 -0.095 0.000 1.166 427 W CA -1.136 56.123 57.345 -0.144 0.000 1.212 427 W CB 1.016 30.118 29.460 -0.596 0.000 1.399 427 W HN 0.597 nan 8.180 nan 0.000 0.514 428 V N 6.655 126.779 119.914 0.350 0.000 2.483 428 V HA 0.491 4.612 4.120 0.002 0.000 0.297 428 V C -1.071 175.055 176.094 0.054 0.000 1.027 428 V CA -0.812 61.486 62.300 -0.003 0.000 0.855 428 V CB 1.130 33.017 31.823 0.106 0.000 0.995 428 V HN 0.573 nan 8.190 nan 0.000 0.424 429 L N 5.850 127.034 121.223 -0.064 0.000 2.313 429 L HA 0.745 5.087 4.340 0.002 0.000 0.283 429 L C -1.225 175.548 176.870 -0.162 0.000 1.013 429 L CA 0.076 54.936 54.840 0.034 0.000 0.816 429 L CB 1.219 43.441 42.059 0.272 0.000 1.236 429 L HN 0.444 nan 8.230 nan 0.000 0.419 430 F N 4.546 124.488 119.950 -0.014 0.000 2.427 430 F HA 0.648 5.173 4.527 -0.003 0.000 0.346 430 F C 0.288 176.127 175.800 0.065 0.000 1.120 430 F CA -0.485 57.502 58.000 -0.021 0.000 1.033 430 F CB 1.329 40.216 39.000 -0.189 0.000 1.126 430 F HN 0.296 nan 8.300 nan 0.000 0.462 431 R N 1.917 122.595 120.500 0.296 0.000 2.483 431 R HA 0.619 4.961 4.340 0.002 0.000 0.303 431 R C -0.845 175.560 176.300 0.174 0.000 0.987 431 R CA -0.876 55.371 56.100 0.246 0.000 0.881 431 R CB 1.900 32.404 30.300 0.339 0.000 1.177 431 R HN 0.719 nan 8.270 nan 0.000 0.451 432 A N 2.595 125.487 122.820 0.120 0.000 3.004 432 A HA 0.202 4.523 4.320 0.002 0.000 0.286 432 A C 0.335 177.963 177.584 0.073 0.000 1.632 432 A CA -0.067 52.019 52.037 0.082 0.000 1.339 432 A CB 0.209 19.243 19.000 0.057 0.000 1.136 432 A HN 0.581 nan 8.150 nan 0.000 0.577 440 R N 3.500 123.997 120.500 -0.004 0.000 2.437 440 R HA 0.775 5.117 4.340 0.002 0.000 0.310 440 R C -1.208 174.977 176.300 -0.191 0.000 0.955 440 R CA -0.619 55.387 56.100 -0.156 0.000 0.851 440 R CB 2.311 32.487 30.300 -0.207 0.000 1.161 440 R HN 0.611 nan 8.270 nan 0.000 0.446 441 I N 3.923 124.286 120.570 -0.346 0.000 2.362 441 I HA 0.297 4.468 4.170 0.002 0.000 0.289 441 I C -0.920 174.907 176.117 -0.483 0.000 0.994 441 I CA -0.901 60.175 61.300 -0.373 0.000 1.158 441 I CB 0.927 38.698 38.000 -0.382 0.000 1.315 441 I HN 0.424 nan 8.210 nan 0.000 0.451 442 Y N 5.415 125.501 120.300 -0.357 0.000 2.341 442 Y HA 0.617 5.168 4.550 0.001 0.000 0.337 442 Y C -0.030 175.441 175.900 -0.715 0.000 1.014 442 Y CA -1.051 56.798 58.100 -0.417 0.000 1.111 442 Y CB 1.601 40.008 38.460 -0.088 0.000 1.194 442 Y HN 0.153 nan 8.280 nan 0.000 0.462 443 V N 2.997 122.419 119.914 -0.821 0.000 2.638 443 V HA 0.418 4.539 4.120 0.002 0.000 0.306 443 V C -0.800 174.700 176.094 -0.989 0.000 1.052 443 V CA -1.076 60.685 62.300 -0.898 0.000 0.885 443 V CB 2.037 33.499 31.823 -0.601 0.000 0.999 443 V HN 0.798 nan 8.190 nan 0.000 0.424 444 E N 3.162 122.713 120.200 -1.081 0.000 2.234 444 E HA 0.836 5.187 4.350 0.002 0.000 0.266 444 E C -0.796 175.531 176.600 -0.455 0.000 0.877 444 E CA -0.368 55.571 56.400 -0.768 0.000 0.758 444 E CB 2.109 31.226 29.700 -0.972 0.000 1.170 444 E HN 0.946 nan 8.360 nan 0.000 0.415 445 A N 3.279 125.950 122.820 -0.248 0.000 2.568 445 A HA 0.249 4.570 4.320 0.002 0.000 0.291 445 A C -0.026 177.568 177.584 0.017 0.000 1.159 445 A CA -0.560 51.445 52.037 -0.053 0.000 0.679 445 A CB 1.479 20.415 19.000 -0.107 0.000 1.285 445 A HN 0.612 nan 8.150 nan 0.000 0.428 446 Q N 0.109 119.952 119.800 0.073 0.000 2.297 446 Q HA 0.084 4.426 4.340 0.002 0.000 0.204 446 Q C 0.651 176.667 176.000 0.027 0.000 0.962 446 Q CA 1.625 57.474 55.803 0.078 0.000 0.879 446 Q CB -0.018 28.767 28.738 0.079 0.000 0.947 446 Q HN 0.946 nan 8.270 nan 0.000 0.462 447 S N -3.057 112.634 115.700 -0.015 0.000 2.588 447 S HA 0.504 4.975 4.470 0.002 0.000 0.275 447 S C -2.481 172.081 174.600 -0.064 0.000 1.130 447 S CA -1.432 56.753 58.200 -0.025 0.000 0.855 447 S CB 1.817 65.009 63.200 -0.014 0.000 1.116 447 S HN -0.199 nan 8.310 nan 0.000 0.472 448 P HA 0.049 nan 4.420 nan 0.000 0.221 448 P C 0.805 178.057 177.300 -0.080 0.000 1.150 448 P CA 0.997 64.051 63.100 -0.077 0.000 0.800 448 P CB 0.078 31.751 31.700 -0.045 0.000 0.787 449 E N -0.651 119.514 120.200 -0.059 0.000 2.072 449 E HA -0.131 4.220 4.350 0.002 0.000 0.191 449 E C 1.777 178.333 176.600 -0.073 0.000 0.985 449 E CA 0.743 57.108 56.400 -0.057 0.000 0.801 449 E CB -1.188 28.489 29.700 -0.039 0.000 0.750 449 E HN 0.116 nan 8.360 nan 0.000 0.452 450 L N -0.059 121.119 121.223 -0.075 0.000 2.109 450 L HA -0.075 4.267 4.340 0.002 0.000 0.207 450 L C 1.952 178.745 176.870 -0.129 0.000 1.086 450 L CA 1.157 55.944 54.840 -0.090 0.000 0.760 450 L CB -0.294 41.721 42.059 -0.073 0.000 0.910 450 L HN -0.002 nan 8.230 nan 0.000 0.437 451 V N 0.032 119.855 119.914 -0.151 0.000 2.287 451 V HA -0.302 3.819 4.120 0.002 0.000 0.248 451 V C 2.828 178.805 176.094 -0.195 0.000 1.053 451 V CA 2.051 64.223 62.300 -0.214 0.000 1.027 451 V CB -0.722 30.953 31.823 -0.247 0.000 0.646 451 V HN 0.502 nan 8.190 nan 0.000 0.447 452 R N 0.922 121.331 120.500 -0.152 0.000 2.081 452 R HA -0.081 4.261 4.340 0.002 0.000 0.235 452 R C 2.130 178.363 176.300 -0.111 0.000 1.131 452 R CA 1.952 57.974 56.100 -0.130 0.000 0.960 452 R CB -1.019 29.221 30.300 -0.100 0.000 0.856 452 R HN 0.450 nan 8.270 nan 0.000 0.436 453 A N 0.532 123.292 122.820 -0.099 0.000 1.877 453 A HA -0.095 4.227 4.320 0.002 0.000 0.216 453 A C 2.305 179.836 177.584 -0.088 0.000 1.186 453 A CA 1.547 53.535 52.037 -0.082 0.000 0.620 453 A CB -0.699 18.256 19.000 -0.075 0.000 0.822 453 A HN 0.355 nan 8.150 nan 0.000 0.443 454 L N -0.693 120.458 121.223 -0.119 0.000 2.012 454 L HA -0.220 4.122 4.340 0.002 0.000 0.210 454 L C 2.614 179.422 176.870 -0.102 0.000 1.073 454 L CA 1.297 56.063 54.840 -0.122 0.000 0.748 454 L CB -0.542 41.411 42.059 -0.177 0.000 0.891 454 L HN 0.388 nan 8.230 nan 0.000 0.431 455 L N -0.822 120.315 121.223 -0.144 0.000 2.083 455 L HA -0.190 4.152 4.340 0.002 0.000 0.209 455 L C 2.740 179.563 176.870 -0.079 0.000 1.083 455 L CA 0.960 55.714 54.840 -0.145 0.000 0.752 455 L CB -0.482 41.465 42.059 -0.187 0.000 0.899 455 L HN 0.279 nan 8.230 nan 0.000 0.433 456 E N -0.039 120.121 120.200 -0.067 0.000 2.106 456 E HA -0.179 4.173 4.350 0.002 0.000 0.192 456 E C 2.106 178.704 176.600 -0.004 0.000 0.984 456 E CA 0.987 57.364 56.400 -0.038 0.000 0.806 456 E CB -0.017 29.658 29.700 -0.041 0.000 0.750 456 E HN 0.485 nan 8.360 nan 0.000 0.458 457 E N 0.408 120.612 120.200 0.007 0.000 2.122 457 E HA 0.005 4.357 4.350 0.002 0.000 0.190 457 E C 2.008 178.678 176.600 0.116 0.000 0.977 457 E CA 0.753 57.182 56.400 0.048 0.000 0.820 457 E CB -0.179 29.544 29.700 0.037 0.000 0.770 457 E HN 0.160 nan 8.360 nan 0.000 0.462 458 A N 1.758 124.657 122.820 0.132 0.000 1.933 458 A HA -0.186 4.136 4.320 0.002 0.000 0.218 458 A C 2.229 179.948 177.584 0.226 0.000 1.175 458 A CA 1.546 53.740 52.037 0.262 0.000 0.628 458 A CB -0.486 18.599 19.000 0.141 0.000 0.814 458 A HN 0.105 nan 8.150 nan 0.000 0.444 459 R N 0.230 120.791 120.500 0.101 0.000 2.083 459 R HA -0.148 4.194 4.340 0.002 0.000 0.237 459 R C 1.699 178.046 176.300 0.078 0.000 1.137 459 R CA 1.875 58.016 56.100 0.069 0.000 0.951 459 R CB -0.257 30.050 30.300 0.011 0.000 0.851 459 R HN 0.490 nan 8.270 nan 0.000 0.434 460 K N 0.132 120.575 120.400 0.072 0.000 2.585 460 K HA -0.115 4.207 4.320 0.002 0.000 0.194 460 K C 1.183 177.830 176.600 0.077 0.000 1.037 460 K CA 0.399 56.722 56.287 0.061 0.000 0.964 460 K CB 0.084 32.614 32.500 0.050 0.000 0.787 460 K HN 0.145 nan 8.250 nan 0.000 0.488 461 L N -0.302 120.990 121.223 0.116 0.000 2.585 461 L HA -0.024 4.317 4.340 0.002 0.000 0.226 461 L C 1.565 178.470 176.870 0.058 0.000 1.113 461 L CA 0.819 55.727 54.840 0.112 0.000 0.876 461 L CB 0.777 42.955 42.059 0.198 0.000 1.072 461 L HN -0.003 nan 8.230 nan 0.000 0.468 462 V N -5.910 114.043 119.914 0.065 0.000 3.556 462 V HA 0.214 4.335 4.120 0.002 0.000 0.287 462 V C 1.915 178.027 176.094 0.030 0.000 1.422 462 V CA 0.250 62.573 62.300 0.038 0.000 1.038 462 V CB 0.381 32.243 31.823 0.064 0.000 0.850 462 V HN 0.158 nan 8.190 nan 0.000 0.437 463 E N 2.999 123.219 120.200 0.032 0.000 2.028 463 E HA 0.021 4.372 4.350 0.002 0.000 0.217 463 E C 1.280 177.889 176.600 0.015 0.000 1.039 463 E CA 2.303 58.716 56.400 0.021 0.000 0.882 463 E CB -0.883 28.830 29.700 0.021 0.000 0.794 463 E HN 0.739 nan 8.360 nan 0.000 0.488 464 G N 0.000 108.809 108.800 0.015 0.000 5.446 464 G HA2 0.000 3.961 3.960 0.002 0.000 0.244 464 G HA3 0.000 3.961 3.960 0.002 0.000 0.244 464 G CA 0.000 45.107 45.100 0.011 0.000 0.502 464 G HN 0.000 nan 8.290 nan 0.000 0.925