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 2pan_1_D DATA FIRST_RESID 2 DATA SEQUENCE AKXRAVDAAX YVLEKEGITT AFGVPGAAIN PFYSAXRKHG GIRHILARHV DATA SEQUENCE EGASHXAEGY TRATAGNIGV CLGTSGPAGT DXITALYSAS ADSIPILCIT DATA SEQUENCE GQAPRARLHK EDFQAVDIEA IAKPVSKXAV TVREAALVPR VLQQAFHLXR DATA SEQUENCE SGRPGPVLVD LPFDVQVAEI EFDPDXYEPL PVYKPAASRX QIEKAVEXLI DATA SEQUENCE QAERPVIVAG GGVINADAAA LLQQFAELTS VPVIPTLXGW GCIPDDHELX DATA SEQUENCE AGXVGLQTAH RYGNATLLAS DXVFGIGNRF ANRHTGSVEK YTEGRKIVHI DATA SEQUENCE DIEPTQIGRV LCPDLGIVSD AKAALTLLVE VAQEXQKAGR LPCRKEWVAD DATA SEQUENCE CQQRKRTLLR KTHFDNVPVK PQRVYEEXNK AFGRDVCYVT TIGLSQIAAA DATA SEQUENCE QXLHVFKDRH WINCGQAGPL GWTIPAALGV CAADPKRNVV AISGDFDFQF DATA SEQUENCE LIEELAVGAQ FNIPYIHVLV NNAYLGLIRQ SQRAFDXDYC VQLAFENINS DATA SEQUENCE SEVNGYGVDH VKVAEGLGCK AIRVFKPEDI APAFEQAKAL XAQYRVPVVV DATA SEQUENCE EVILERVTNI SXGSELDNVX EFEDIADNAA DAPTETCFXH YE 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.607 177.584 0.038 0.000 1.274 2 A CA 0.000 52.036 52.037 -0.002 0.000 0.836 2 A CB 0.000 18.983 19.000 -0.028 0.000 0.831 6 A N 1.202 123.978 122.820 -0.074 0.000 1.908 6 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 6 A C 1.790 179.293 177.584 -0.135 0.000 1.181 6 A CA 2.298 54.272 52.037 -0.106 0.000 0.627 6 A CB -0.687 18.267 19.000 -0.076 0.000 0.818 6 A HN 0.552 nan 8.150 nan 0.000 0.445 7 V N -1.923 117.920 119.914 -0.119 0.000 2.490 7 V HA -0.201 3.919 4.120 -0.000 0.000 0.250 7 V C 1.702 177.644 176.094 -0.252 0.000 1.061 7 V CA 2.234 64.434 62.300 -0.167 0.000 1.064 7 V CB -0.905 30.825 31.823 -0.155 0.000 0.670 7 V HN 0.406 nan 8.190 nan 0.000 0.461 8 D N 1.480 121.778 120.400 -0.171 0.000 2.117 8 D HA -0.027 4.613 4.640 -0.000 0.000 0.198 8 D C 2.334 178.587 176.300 -0.078 0.000 0.982 8 D CA 1.843 55.766 54.000 -0.129 0.000 0.828 8 D CB -0.234 40.561 40.800 -0.009 0.000 0.967 8 D HN 0.575 nan 8.370 nan 0.000 0.464 9 A N 1.371 124.128 122.820 -0.104 0.000 1.933 9 A HA 0.106 4.426 4.320 -0.000 0.000 0.218 9 A C 1.589 178.966 177.584 -0.345 0.000 1.175 9 A CA 1.263 53.146 52.037 -0.255 0.000 0.628 9 A CB -0.579 17.989 19.000 -0.721 0.000 0.814 9 A HN 0.261 nan 8.150 nan 0.000 0.444 13 V N 1.579 121.360 119.914 -0.221 0.000 2.261 13 V HA -0.310 3.810 4.120 -0.000 0.000 0.246 13 V C 2.038 177.948 176.094 -0.306 0.000 1.047 13 V CA 2.457 64.473 62.300 -0.474 0.000 1.015 13 V CB -0.716 30.846 31.823 -0.435 0.000 0.642 13 V HN 0.329 nan 8.190 nan 0.000 0.446 14 L N -0.349 120.757 121.223 -0.195 0.000 2.079 14 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 14 L C 2.611 179.393 176.870 -0.147 0.000 1.081 14 L CA 1.865 56.634 54.840 -0.119 0.000 0.752 14 L CB -0.557 41.480 42.059 -0.036 0.000 0.896 14 L HN 0.441 nan 8.230 nan 0.000 0.433 15 E N 0.483 120.593 120.200 -0.149 0.000 2.028 15 E HA -0.208 4.142 4.350 -0.000 0.000 0.191 15 E C 2.067 178.640 176.600 -0.045 0.000 0.988 15 E CA 1.028 57.384 56.400 -0.073 0.000 0.799 15 E CB 0.158 29.844 29.700 -0.024 0.000 0.755 15 E HN 0.378 nan 8.360 nan 0.000 0.447 16 K N 0.234 120.611 120.400 -0.039 0.000 2.362 16 K HA -0.145 4.175 4.320 -0.000 0.000 0.200 16 K C 1.554 178.140 176.600 -0.024 0.000 1.046 16 K CA 0.810 57.110 56.287 0.021 0.000 0.952 16 K CB 0.049 32.617 32.500 0.114 0.000 0.753 16 K HN -0.004 nan 8.250 nan 0.000 0.466 17 E N -0.568 119.530 120.200 -0.170 0.000 2.474 17 E HA 0.036 4.386 4.350 -0.000 0.000 0.195 17 E C 0.680 177.110 176.600 -0.283 0.000 1.039 17 E CA 0.390 56.567 56.400 -0.371 0.000 0.881 17 E CB 0.581 29.715 29.700 -0.944 0.000 0.970 17 E HN 0.373 nan 8.360 nan 0.000 0.486 18 G N 0.016 108.746 108.800 -0.118 0.000 2.201 18 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.212 18 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.212 18 G C 0.014 174.933 174.900 0.031 0.000 0.994 18 G CA -0.046 45.045 45.100 -0.016 0.000 0.644 18 G HN 0.146 nan 8.290 nan 0.000 0.508 19 I N 2.456 123.036 120.570 0.016 0.000 2.533 19 I HA 0.433 4.603 4.170 -0.000 0.000 0.284 19 I C 1.689 177.807 176.117 0.002 0.000 1.109 19 I CA 1.388 62.713 61.300 0.042 0.000 1.412 19 I CB 1.650 39.687 38.000 0.062 0.000 1.396 19 I HN 0.316 nan 8.210 nan 0.000 0.543 20 T N -0.250 114.304 114.554 -0.000 0.000 3.016 20 T HA 0.292 4.642 4.350 -0.000 0.000 0.271 20 T C 0.523 175.162 174.700 -0.100 0.000 0.968 20 T CA -0.082 62.005 62.100 -0.022 0.000 0.891 20 T CB 0.061 68.946 68.868 0.029 0.000 1.149 20 T HN 0.478 nan 8.240 nan 0.000 0.524 21 T N 1.635 116.056 114.554 -0.221 0.000 2.903 21 T HA 0.806 5.156 4.350 -0.000 0.000 0.299 21 T C -1.439 172.906 174.700 -0.593 0.000 1.093 21 T CA -0.623 61.205 62.100 -0.453 0.000 1.002 21 T CB 1.916 70.423 68.868 -0.602 0.000 1.127 21 T HN 0.525 nan 8.240 nan 0.000 0.488 22 A N 1.906 124.299 122.820 -0.712 0.000 2.517 22 A HA 0.799 5.119 4.320 -0.000 0.000 0.297 22 A C -1.764 175.323 177.584 -0.829 0.000 1.050 22 A CA -0.787 50.896 52.037 -0.590 0.000 0.694 22 A CB 0.901 19.776 19.000 -0.208 0.000 1.277 22 A HN 0.656 nan 8.150 nan 0.000 0.400 23 F N 1.389 121.161 119.950 -0.297 0.000 2.458 23 F HA 0.794 5.321 4.527 0.000 0.000 0.336 23 F C 0.954 176.635 175.800 -0.199 0.000 1.114 23 F CA 0.280 58.077 58.000 -0.339 0.000 0.987 23 F CB 2.557 41.403 39.000 -0.258 0.000 1.130 23 F HN 0.952 nan 8.300 nan 0.000 0.458 24 G N 0.712 109.507 108.800 -0.009 0.000 2.488 24 G HA2 0.573 4.533 3.960 -0.000 0.000 0.301 24 G HA3 0.573 4.533 3.960 -0.000 0.000 0.301 24 G C -2.381 172.710 174.900 0.317 0.000 1.339 24 G CA -0.757 44.489 45.100 0.243 0.000 0.803 24 G HN 0.456 nan 8.290 nan 0.000 0.482 25 V N 2.258 122.347 119.914 0.292 0.000 2.488 25 V HA 0.520 4.640 4.120 -0.000 0.000 0.293 25 V C -2.159 173.987 176.094 0.087 0.000 1.027 25 V CA -1.098 61.310 62.300 0.181 0.000 0.862 25 V CB 1.931 33.808 31.823 0.090 0.000 1.008 25 V HN 0.700 nan 8.190 nan 0.000 0.428 26 P HA 0.614 nan 4.420 nan 0.000 0.274 26 P C -0.048 177.129 177.300 -0.206 0.000 1.256 26 P CA 0.062 62.881 63.100 -0.467 0.000 0.795 26 P CB 1.624 32.723 31.700 -1.002 0.000 1.038 27 G N -1.950 106.748 108.800 -0.171 0.000 2.576 27 G HA2 0.435 4.395 3.960 -0.000 0.000 0.290 27 G HA3 0.435 4.395 3.960 -0.000 0.000 0.290 27 G C 0.434 175.337 174.900 0.005 0.000 1.442 27 G CA -0.053 45.017 45.100 -0.051 0.000 0.792 27 G HN 0.380 nan 8.290 nan 0.000 0.491 28 A N 0.080 122.927 122.820 0.045 0.000 1.892 28 A HA 0.172 4.492 4.320 -0.000 0.000 0.218 28 A C 2.708 180.416 177.584 0.206 0.000 1.188 28 A CA 3.170 55.264 52.037 0.094 0.000 0.631 28 A CB -0.844 18.189 19.000 0.055 0.000 0.822 28 A HN 1.895 nan 8.150 nan 0.000 0.447 29 A N -1.596 121.333 122.820 0.182 0.000 2.067 29 A HA 0.098 4.418 4.320 -0.000 0.000 0.219 29 A C 1.719 179.466 177.584 0.271 0.000 1.158 29 A CA 1.586 53.792 52.037 0.282 0.000 0.661 29 A CB -0.280 18.815 19.000 0.158 0.000 0.801 29 A HN 0.595 nan 8.150 nan 0.000 0.452 30 I N -0.822 119.858 120.570 0.184 0.000 3.974 30 I HA 0.181 4.351 4.170 -0.000 0.000 0.334 30 I C 1.104 177.374 176.117 0.256 0.000 1.437 30 I CA -0.151 61.260 61.300 0.185 0.000 1.113 30 I CB -0.703 37.393 38.000 0.161 0.000 1.063 30 I HN 0.262 nan 8.210 nan 0.000 0.400 31 N N 1.422 120.236 118.700 0.189 0.000 2.104 31 N HA -0.129 4.611 4.740 -0.000 0.000 0.190 31 N C -0.982 174.619 175.510 0.153 0.000 1.024 31 N CA 1.294 54.438 53.050 0.158 0.000 0.853 31 N CB -0.516 38.054 38.487 0.137 0.000 1.008 31 N HN 0.292 nan 8.380 nan 0.000 0.424 32 P HA -0.154 nan 4.420 nan 0.000 0.215 32 P C 1.022 178.338 177.300 0.027 0.000 1.153 32 P CA 0.932 64.004 63.100 -0.047 0.000 0.853 32 P CB -0.035 31.507 31.700 -0.262 0.000 0.788 33 F N -1.149 118.781 119.950 -0.033 0.000 2.069 33 F HA -0.247 4.280 4.527 -0.000 0.000 0.298 33 F C 2.189 177.952 175.800 -0.061 0.000 1.113 33 F CA 1.594 59.561 58.000 -0.056 0.000 1.214 33 F CB -0.865 38.106 39.000 -0.048 0.000 0.978 33 F HN -0.165 nan 8.300 nan 0.000 0.474 34 Y N -0.370 120.022 120.300 0.153 0.000 2.207 34 Y HA -0.259 4.290 4.550 -0.000 0.000 0.287 34 Y C 2.999 178.857 175.900 -0.070 0.000 1.156 34 Y CA 1.766 59.879 58.100 0.023 0.000 1.182 34 Y CB -1.116 37.343 38.460 -0.002 0.000 0.979 34 Y HN 0.183 nan 8.280 nan 0.000 0.521 35 S N 0.012 115.764 115.700 0.086 0.000 2.356 35 S HA -0.073 4.397 4.470 -0.000 0.000 0.223 35 S C 1.456 176.013 174.600 -0.071 0.000 1.032 35 S CA 0.468 58.672 58.200 0.008 0.000 1.005 35 S CB -0.698 62.506 63.200 0.007 0.000 0.867 35 S HN 0.344 nan 8.310 nan 0.000 0.449 39 K N 0.051 120.423 120.400 -0.047 0.000 2.097 39 K HA -0.202 4.118 4.320 -0.000 0.000 0.206 39 K C 1.646 178.214 176.600 -0.054 0.000 1.049 39 K CA 2.163 58.425 56.287 -0.042 0.000 0.933 39 K CB -0.177 32.301 32.500 -0.037 0.000 0.717 39 K HN 0.276 nan 8.250 nan 0.000 0.442 40 H N -0.965 118.004 119.070 -0.169 0.000 2.415 40 H HA 0.128 4.684 4.556 -0.000 0.000 0.297 40 H C 0.609 175.834 175.328 -0.172 0.000 1.048 40 H CA 1.289 57.206 56.048 -0.218 0.000 1.365 40 H CB 0.156 29.721 29.762 -0.328 0.000 1.421 40 H HN 0.457 nan 8.280 nan 0.000 0.533 41 G N -1.780 106.983 108.800 -0.061 0.000 2.855 41 G HA2 0.085 4.045 3.960 -0.000 0.000 0.352 41 G HA3 0.085 4.045 3.960 -0.000 0.000 0.352 41 G C 0.942 175.830 174.900 -0.020 0.000 1.415 41 G CA 0.200 45.259 45.100 -0.070 0.000 0.871 41 G HN 1.362 nan 8.290 nan 0.000 0.543 42 G N -1.851 106.930 108.800 -0.031 0.000 2.217 42 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.246 42 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.246 42 G C 0.402 175.289 174.900 -0.020 0.000 0.990 42 G CA 0.802 45.893 45.100 -0.015 0.000 0.627 42 G HN 1.621 nan 8.290 nan 0.000 0.522 43 I N 1.103 121.651 120.570 -0.036 0.000 2.389 43 I HA 0.391 4.561 4.170 -0.000 0.000 0.288 43 I C 0.587 176.665 176.117 -0.066 0.000 0.999 43 I CA -0.910 60.350 61.300 -0.067 0.000 1.129 43 I CB 1.753 39.700 38.000 -0.088 0.000 1.288 43 I HN 0.078 nan 8.210 nan 0.000 0.444 44 R N 5.884 126.326 120.500 -0.096 0.000 2.248 44 R HA 0.183 4.523 4.340 -0.000 0.000 0.328 44 R C -0.547 175.650 176.300 -0.172 0.000 1.067 44 R CA -0.345 55.694 56.100 -0.100 0.000 0.924 44 R CB 0.445 30.678 30.300 -0.112 0.000 1.013 44 R HN 0.624 nan 8.270 nan 0.000 0.454 45 H N 6.741 125.699 119.070 -0.185 0.000 2.517 45 H HA 0.187 4.743 4.556 0.000 0.000 0.317 45 H C -0.541 174.605 175.328 -0.304 0.000 1.080 45 H CA -0.560 55.357 56.048 -0.219 0.000 1.301 45 H CB 0.826 30.544 29.762 -0.073 0.000 1.425 45 H HN 0.446 nan 8.280 nan 0.000 0.471 46 I N 6.828 126.853 120.570 -0.908 0.000 2.321 46 I HA 0.029 4.199 4.170 -0.000 0.000 0.291 46 I C 0.143 175.824 176.117 -0.726 0.000 0.998 46 I CA -0.864 59.849 61.300 -0.979 0.000 1.227 46 I CB 1.044 38.642 38.000 -0.671 0.000 1.368 46 I HN 0.408 nan 8.210 nan 0.000 0.466 47 L N 6.917 127.995 121.223 -0.242 0.000 2.315 47 L HA 0.507 4.847 4.340 -0.000 0.000 0.283 47 L C 0.520 177.490 176.870 0.166 0.000 1.089 47 L CA 0.175 55.123 54.840 0.179 0.000 0.833 47 L CB 0.564 42.889 42.059 0.444 0.000 1.170 47 L HN 0.739 nan 8.230 nan 0.000 0.442 48 A N 5.415 128.300 122.820 0.108 0.000 2.272 48 A HA 0.556 4.876 4.320 -0.000 0.000 0.275 48 A C 0.728 178.382 177.584 0.116 0.000 1.096 48 A CA -0.363 51.734 52.037 0.100 0.000 0.822 48 A CB 0.391 19.429 19.000 0.064 0.000 1.088 48 A HN 0.828 nan 8.150 nan 0.000 0.495 49 R N -0.895 119.668 120.500 0.104 0.000 2.577 49 R HA 0.250 4.590 4.340 -0.000 0.000 0.344 49 R C -0.613 175.752 176.300 0.108 0.000 1.037 49 R CA 0.179 56.332 56.100 0.088 0.000 1.102 49 R CB 0.105 30.452 30.300 0.079 0.000 1.313 49 R HN 0.858 nan 8.270 nan 0.000 0.561 50 H N -1.797 117.278 119.070 0.008 0.000 3.140 50 H HA 0.068 4.624 4.556 -0.000 0.000 0.336 50 H C 0.542 175.859 175.328 -0.020 0.000 1.142 50 H CA -0.671 55.374 56.048 -0.006 0.000 1.308 50 H CB 1.323 31.080 29.762 -0.009 0.000 1.970 50 H HN -0.183 nan 8.280 nan 0.000 0.521 51 V N 3.322 123.390 119.914 0.257 0.000 2.332 51 V HA -0.226 3.894 4.120 -0.000 0.000 0.248 51 V C 2.211 178.339 176.094 0.057 0.000 1.055 51 V CA 2.429 64.811 62.300 0.137 0.000 1.038 51 V CB -0.363 31.512 31.823 0.087 0.000 0.651 51 V HN 0.812 nan 8.190 nan 0.000 0.450 52 E N 0.173 120.421 120.200 0.080 0.000 2.118 52 E HA -0.219 4.131 4.350 -0.000 0.000 0.195 52 E C 2.275 178.681 176.600 -0.323 0.000 0.992 52 E CA 1.420 57.671 56.400 -0.248 0.000 0.804 52 E CB -0.402 29.080 29.700 -0.364 0.000 0.741 52 E HN 0.620 nan 8.360 nan 0.000 0.458 53 G N 0.766 109.480 108.800 -0.143 0.000 2.446 53 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.217 53 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.217 53 G C 1.660 176.457 174.900 -0.172 0.000 1.168 53 G CA 1.078 46.112 45.100 -0.109 0.000 0.771 53 G HN 0.416 nan 8.290 nan 0.000 0.551 54 A N 0.848 123.602 122.820 -0.111 0.000 1.940 54 A HA -0.022 4.298 4.320 -0.000 0.000 0.219 54 A C 2.718 180.187 177.584 -0.192 0.000 1.176 54 A CA 2.365 54.339 52.037 -0.105 0.000 0.631 54 A CB -0.610 18.396 19.000 0.010 0.000 0.814 54 A HN 0.348 nan 8.150 nan 0.000 0.446 55 S N -0.394 115.170 115.700 -0.226 0.000 2.356 55 S HA -0.073 4.397 4.470 -0.000 0.000 0.223 55 S C 1.104 175.542 174.600 -0.270 0.000 1.032 55 S CA 0.748 58.795 58.200 -0.255 0.000 1.005 55 S CB -0.494 62.497 63.200 -0.348 0.000 0.867 55 S HN 0.712 nan 8.310 nan 0.000 0.449 59 E N 0.488 120.639 120.200 -0.082 0.000 2.051 59 E HA -0.105 4.245 4.350 -0.000 0.000 0.192 59 E C 2.040 178.633 176.600 -0.012 0.000 0.991 59 E CA 1.194 57.612 56.400 0.029 0.000 0.799 59 E CB -0.214 29.588 29.700 0.169 0.000 0.748 59 E HN 0.590 nan 8.360 nan 0.000 0.449 60 G N 0.319 108.993 108.800 -0.210 0.000 2.418 60 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.217 60 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.217 60 G C 1.395 176.240 174.900 -0.093 0.000 1.158 60 G CA 0.826 45.785 45.100 -0.236 0.000 0.771 60 G HN 0.291 nan 8.290 nan 0.000 0.545 61 Y N 1.654 121.863 120.300 -0.151 0.000 2.165 61 Y HA -0.171 4.379 4.550 0.000 0.000 0.286 61 Y C 3.121 179.031 175.900 0.016 0.000 1.155 61 Y CA 2.262 60.358 58.100 -0.007 0.000 1.164 61 Y CB -0.221 38.342 38.460 0.172 0.000 0.978 61 Y HN 0.202 nan 8.280 nan 0.000 0.513 62 T N 0.274 114.957 114.554 0.214 0.000 2.701 62 T HA -0.159 4.191 4.350 -0.000 0.000 0.263 62 T C 1.775 176.499 174.700 0.039 0.000 1.040 62 T CA 1.793 63.977 62.100 0.141 0.000 1.147 62 T CB -0.204 68.745 68.868 0.133 0.000 0.865 62 T HN 0.309 nan 8.240 nan 0.000 0.426 63 R N 0.971 121.490 120.500 0.031 0.000 2.237 63 R HA 0.139 4.479 4.340 -0.000 0.000 0.219 63 R C 2.607 178.895 176.300 -0.021 0.000 1.080 63 R CA 0.835 56.948 56.100 0.022 0.000 0.995 63 R CB -0.295 30.040 30.300 0.058 0.000 0.875 63 R HN 0.325 nan 8.270 nan 0.000 0.462 64 A N 0.336 123.109 122.820 -0.079 0.000 1.898 64 A HA -0.035 4.285 4.320 -0.000 0.000 0.216 64 A C 0.774 178.306 177.584 -0.087 0.000 1.181 64 A CA 1.231 53.198 52.037 -0.115 0.000 0.620 64 A CB 0.208 19.090 19.000 -0.197 0.000 0.819 64 A HN 0.210 nan 8.150 nan 0.000 0.442 65 T N -2.556 111.942 114.554 -0.093 0.000 2.933 65 T HA 0.544 4.894 4.350 -0.000 0.000 0.305 65 T C 0.949 175.632 174.700 -0.027 0.000 1.092 65 T CA -0.152 61.911 62.100 -0.061 0.000 1.008 65 T CB 1.800 70.611 68.868 -0.094 0.000 1.102 65 T HN 0.410 nan 8.240 nan 0.000 0.469 66 A N 1.879 124.696 122.820 -0.004 0.000 1.903 66 A HA 0.024 4.344 4.320 -0.000 0.000 0.219 66 A C 2.196 179.796 177.584 0.027 0.000 1.191 66 A CA 2.283 54.328 52.037 0.013 0.000 0.638 66 A CB -1.202 17.807 19.000 0.014 0.000 0.823 66 A HN 0.994 nan 8.150 nan 0.000 0.451 67 G N -0.940 107.879 108.800 0.031 0.000 2.920 67 G HA2 0.086 4.046 3.960 -0.000 0.000 0.208 67 G HA3 0.086 4.046 3.960 -0.000 0.000 0.208 67 G C 0.222 175.177 174.900 0.092 0.000 1.159 67 G CA -0.177 44.958 45.100 0.058 0.000 0.784 67 G HN 0.448 nan 8.290 nan 0.000 0.535 68 N N 0.642 119.387 118.700 0.075 0.000 2.513 68 N HA 0.291 5.031 4.740 -0.000 0.000 0.268 68 N C -0.425 175.214 175.510 0.216 0.000 1.180 68 N CA 0.228 53.362 53.050 0.140 0.000 0.948 68 N CB 1.319 39.799 38.487 -0.012 0.000 1.083 68 N HN 0.039 nan 8.380 nan 0.000 0.455 69 I N 0.981 121.737 120.570 0.311 0.000 2.466 69 I HA 0.281 4.451 4.170 -0.000 0.000 0.279 69 I C 0.781 177.045 176.117 0.246 0.000 1.033 69 I CA -0.881 60.570 61.300 0.252 0.000 1.123 69 I CB 1.402 39.547 38.000 0.242 0.000 1.237 69 I HN 0.416 nan 8.210 nan 0.000 0.460 70 G N 5.517 114.471 108.800 0.256 0.000 2.398 70 G HA2 0.407 4.367 3.960 -0.000 0.000 0.246 70 G HA3 0.407 4.367 3.960 -0.000 0.000 0.246 70 G C -0.383 174.538 174.900 0.036 0.000 1.289 70 G CA -0.075 45.101 45.100 0.126 0.000 0.869 70 G HN 0.339 nan 8.290 nan 0.000 0.543 71 V N 1.839 121.740 119.914 -0.021 0.000 2.495 71 V HA 0.439 4.559 4.120 -0.000 0.000 0.298 71 V C -0.149 175.959 176.094 0.023 0.000 1.031 71 V CA -0.889 61.394 62.300 -0.029 0.000 0.871 71 V CB 1.570 33.353 31.823 -0.067 0.000 0.988 71 V HN 0.919 nan 8.190 nan 0.000 0.432 72 C N 7.291 126.586 119.300 -0.009 0.000 2.340 72 C HA 0.758 5.218 4.460 -0.000 0.000 0.323 72 C C -0.624 174.337 174.990 -0.047 0.000 1.260 72 C CA -0.529 58.491 59.018 0.002 0.000 1.464 72 C CB -0.457 27.271 27.740 -0.019 0.000 2.156 72 C HN 0.865 nan 8.230 nan 0.000 0.476 73 L N 6.299 127.518 121.223 -0.007 0.000 2.341 73 L HA 0.847 5.187 4.340 -0.000 0.000 0.278 73 L C 0.613 177.526 176.870 0.071 0.000 1.005 73 L CA -0.000 54.821 54.840 -0.030 0.000 0.818 73 L CB 1.787 43.829 42.059 -0.028 0.000 1.259 73 L HN 0.894 nan 8.230 nan 0.000 0.418 74 G N 0.379 109.194 108.800 0.026 0.000 2.682 74 G HA2 0.493 4.453 3.960 -0.000 0.000 0.290 74 G HA3 0.493 4.453 3.960 -0.000 0.000 0.290 74 G C -1.161 173.757 174.900 0.030 0.000 1.425 74 G CA -0.276 44.852 45.100 0.047 0.000 0.807 74 G HN 0.385 nan 8.290 nan 0.000 0.482 75 T N -0.903 113.664 114.554 0.022 0.000 2.865 75 T HA 0.568 4.918 4.350 -0.000 0.000 0.302 75 T C 1.534 176.232 174.700 -0.004 0.000 1.078 75 T CA 0.569 62.681 62.100 0.019 0.000 0.942 75 T CB 0.286 69.163 68.868 0.015 0.000 1.387 75 T HN 1.208 nan 8.240 nan 0.000 0.557 76 S N -0.863 114.833 115.700 -0.007 0.000 2.640 76 S HA 0.585 5.055 4.470 -0.000 0.000 0.262 76 S C 1.287 175.843 174.600 -0.074 0.000 1.232 76 S CA 0.060 58.240 58.200 -0.033 0.000 0.988 76 S CB -0.107 63.077 63.200 -0.027 0.000 1.034 76 S HN 1.646 nan 8.310 nan 0.000 0.569 77 G N 1.308 110.052 108.800 -0.094 0.000 2.602 77 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.310 77 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.310 77 G C -1.308 173.535 174.900 -0.095 0.000 1.183 77 G CA 0.265 45.289 45.100 -0.127 0.000 0.979 77 G HN 0.771 nan 8.290 nan 0.000 0.545 78 P HA 0.146 nan 4.420 nan 0.000 0.229 78 P C 1.800 179.075 177.300 -0.040 0.000 1.160 78 P CA 2.312 65.371 63.100 -0.068 0.000 0.777 78 P CB -0.292 31.361 31.700 -0.077 0.000 0.814 79 A N 0.950 123.745 122.820 -0.041 0.000 1.877 79 A HA -0.042 4.278 4.320 -0.000 0.000 0.216 79 A C 2.584 180.158 177.584 -0.016 0.000 1.186 79 A CA 1.986 54.011 52.037 -0.020 0.000 0.620 79 A CB -1.902 17.088 19.000 -0.017 0.000 0.822 79 A HN 0.285 nan 8.150 nan 0.000 0.443 80 G N -0.568 108.216 108.800 -0.027 0.000 2.422 80 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.218 80 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.218 80 G C 1.691 176.581 174.900 -0.018 0.000 1.146 80 G CA 1.947 47.032 45.100 -0.026 0.000 0.769 80 G HN 0.709 nan 8.290 nan 0.000 0.547 81 T N -1.643 112.900 114.554 -0.018 0.000 3.035 81 T HA 0.065 4.415 4.350 -0.000 0.000 0.268 81 T C 0.745 175.453 174.700 0.012 0.000 1.109 81 T CA 0.610 62.706 62.100 -0.007 0.000 1.119 81 T CB 0.013 68.872 68.868 -0.015 0.000 0.900 81 T HN 0.072 nan 8.240 nan 0.000 0.503 85 T N 2.137 116.769 114.554 0.129 0.000 2.759 85 T HA -0.077 4.273 4.350 -0.000 0.000 0.269 85 T C 1.904 176.762 174.700 0.264 0.000 1.042 85 T CA 2.172 64.409 62.100 0.227 0.000 1.140 85 T CB -0.055 68.952 68.868 0.232 0.000 0.864 85 T HN 0.433 nan 8.240 nan 0.000 0.455 86 A N 0.935 123.866 122.820 0.184 0.000 1.897 86 A HA 0.125 4.445 4.320 -0.000 0.000 0.215 86 A C 2.277 179.942 177.584 0.134 0.000 1.181 86 A CA 0.885 53.042 52.037 0.200 0.000 0.620 86 A CB -0.715 18.282 19.000 -0.006 0.000 0.821 86 A HN 0.455 nan 8.150 nan 0.000 0.443 87 L N -1.633 119.649 121.223 0.099 0.000 2.042 87 L HA -0.220 4.120 4.340 -0.000 0.000 0.210 87 L C 2.616 179.567 176.870 0.135 0.000 1.076 87 L CA 1.819 56.712 54.840 0.088 0.000 0.749 87 L CB -0.683 41.416 42.059 0.066 0.000 0.893 87 L HN 0.606 nan 8.230 nan 0.000 0.432 88 Y N 0.238 120.559 120.300 0.034 0.000 2.114 88 Y HA -0.296 4.254 4.550 -0.000 0.000 0.284 88 Y C 2.926 178.836 175.900 0.017 0.000 1.143 88 Y CA 1.480 59.593 58.100 0.022 0.000 1.135 88 Y CB -0.752 37.720 38.460 0.021 0.000 0.980 88 Y HN 0.102 nan 8.280 nan 0.000 0.499 89 S N 0.058 115.620 115.700 -0.231 0.000 2.370 89 S HA -0.216 4.254 4.470 -0.000 0.000 0.226 89 S C 2.272 176.765 174.600 -0.178 0.000 1.033 89 S CA 1.633 59.631 58.200 -0.338 0.000 1.011 89 S CB -0.910 62.209 63.200 -0.134 0.000 0.852 89 S HN 0.664 nan 8.310 nan 0.000 0.457 90 A N 0.549 123.351 122.820 -0.030 0.000 1.873 90 A HA 0.017 4.337 4.320 -0.000 0.000 0.215 90 A C 2.441 180.014 177.584 -0.017 0.000 1.186 90 A CA 1.931 53.971 52.037 0.005 0.000 0.616 90 A CB -1.222 17.805 19.000 0.045 0.000 0.823 90 A HN 0.557 nan 8.150 nan 0.000 0.442 91 S N 0.013 115.713 115.700 -0.001 0.000 2.359 91 S HA -0.152 4.318 4.470 -0.000 0.000 0.223 91 S C 2.337 176.929 174.600 -0.013 0.000 1.039 91 S CA 1.470 59.681 58.200 0.018 0.000 1.042 91 S CB -0.591 62.657 63.200 0.079 0.000 0.915 91 S HN 0.828 nan 8.310 nan 0.000 0.439 92 A N 1.440 124.215 122.820 -0.074 0.000 1.940 92 A HA -0.154 4.166 4.320 -0.000 0.000 0.219 92 A C 1.435 178.957 177.584 -0.104 0.000 1.176 92 A CA 1.779 53.748 52.037 -0.114 0.000 0.631 92 A CB -0.419 18.380 19.000 -0.336 0.000 0.814 92 A HN 0.375 nan 8.150 nan 0.000 0.446 93 D N -0.538 119.795 120.400 -0.111 0.000 2.342 93 D HA 0.234 4.874 4.640 -0.000 0.000 0.221 93 D C 0.179 176.454 176.300 -0.042 0.000 1.101 93 D CA 0.694 54.644 54.000 -0.084 0.000 0.837 93 D CB 0.075 40.814 40.800 -0.102 0.000 0.938 93 D HN 0.228 nan 8.370 nan 0.000 0.508 94 S N -0.093 115.589 115.700 -0.030 0.000 3.682 94 S HA -0.225 4.245 4.470 -0.000 0.000 0.354 94 S C 0.272 174.870 174.600 -0.005 0.000 1.034 94 S CA 0.487 58.678 58.200 -0.014 0.000 1.084 94 S CB -2.187 61.003 63.200 -0.017 0.000 0.903 94 S HN 0.571 nan 8.310 nan 0.000 0.470 95 I N -2.396 118.175 120.570 0.002 0.000 2.689 95 I HA 0.901 5.071 4.170 -0.000 0.000 0.299 95 I C -2.901 173.229 176.117 0.021 0.000 1.059 95 I CA -2.727 58.583 61.300 0.017 0.000 1.055 95 I CB 2.221 40.240 38.000 0.032 0.000 1.243 95 I HN -0.197 nan 8.210 nan 0.000 0.425 96 P HA 0.551 nan 4.420 nan 0.000 0.292 96 P C -1.064 176.251 177.300 0.024 0.000 1.283 96 P CA -0.365 62.742 63.100 0.011 0.000 0.835 96 P CB 1.692 33.394 31.700 0.002 0.000 1.017 97 I N -0.132 120.439 120.570 0.003 0.000 2.934 97 I HA 0.619 4.789 4.170 -0.000 0.000 0.306 97 I C -1.244 174.837 176.117 -0.059 0.000 1.110 97 I CA -1.693 59.605 61.300 -0.004 0.000 1.019 97 I CB 2.308 40.315 38.000 0.012 0.000 1.227 97 I HN 0.058 nan 8.210 nan 0.000 0.434 98 L N 4.548 125.722 121.223 -0.081 0.000 2.294 98 L HA 0.552 4.892 4.340 -0.000 0.000 0.283 98 L C -0.903 175.909 176.870 -0.096 0.000 1.015 98 L CA -0.011 54.750 54.840 -0.132 0.000 0.831 98 L CB 0.825 42.755 42.059 -0.216 0.000 1.217 98 L HN 0.798 nan 8.230 nan 0.000 0.420 99 C N 5.869 125.115 119.300 -0.090 0.000 2.330 99 C HA 0.603 5.063 4.460 -0.000 0.000 0.344 99 C C 0.240 175.159 174.990 -0.118 0.000 1.273 99 C CA -0.730 58.235 59.018 -0.088 0.000 1.879 99 C CB -0.009 27.693 27.740 -0.063 0.000 2.376 99 C HN 0.676 nan 8.230 nan 0.000 0.534 100 I N 3.669 124.142 120.570 -0.162 0.000 2.447 100 I HA 0.405 4.575 4.170 -0.000 0.000 0.287 100 I C 0.247 176.244 176.117 -0.201 0.000 1.023 100 I CA 0.113 61.276 61.300 -0.228 0.000 1.083 100 I CB 1.853 39.594 38.000 -0.431 0.000 1.245 100 I HN 0.714 nan 8.210 nan 0.000 0.434 101 T N 1.753 116.225 114.554 -0.137 0.000 2.885 101 T HA 0.704 5.054 4.350 -0.000 0.000 0.285 101 T C 0.247 174.909 174.700 -0.063 0.000 1.019 101 T CA -0.798 61.251 62.100 -0.086 0.000 1.010 101 T CB 1.862 70.699 68.868 -0.052 0.000 1.022 101 T HN 0.621 nan 8.240 nan 0.000 0.466 102 G N 0.413 109.200 108.800 -0.021 0.000 2.634 102 G HA2 0.513 4.473 3.960 -0.000 0.000 0.255 102 G HA3 0.513 4.473 3.960 -0.000 0.000 0.255 102 G C -0.716 174.205 174.900 0.034 0.000 1.205 102 G CA -0.352 44.766 45.100 0.031 0.000 0.884 102 G HN 0.911 nan 8.290 nan 0.000 0.549 103 Q N -1.454 118.390 119.800 0.073 0.000 2.527 103 Q HA 0.566 4.906 4.340 -0.000 0.000 0.280 103 Q C -0.343 175.718 176.000 0.102 0.000 0.977 103 Q CA -0.278 55.559 55.803 0.057 0.000 0.837 103 Q CB 1.325 30.083 28.738 0.034 0.000 1.454 103 Q HN 1.056 nan 8.270 nan 0.000 0.387 104 A N 3.092 125.951 122.820 0.065 0.000 2.429 104 A HA 0.582 4.902 4.320 -0.000 0.000 0.242 104 A C -2.223 175.418 177.584 0.095 0.000 1.088 104 A CA -0.726 51.353 52.037 0.070 0.000 0.784 104 A CB -0.601 18.418 19.000 0.032 0.000 1.038 104 A HN 0.625 nan 8.150 nan 0.000 0.501 105 P HA 0.122 nan 4.420 nan 0.000 0.268 105 P C 0.255 177.605 177.300 0.083 0.000 1.208 105 P CA -0.039 63.127 63.100 0.111 0.000 0.777 105 P CB 0.380 32.136 31.700 0.093 0.000 0.875 106 R N 2.258 122.807 120.500 0.082 0.000 2.105 106 R HA -0.133 4.207 4.340 -0.000 0.000 0.239 106 R C 2.152 178.499 176.300 0.079 0.000 1.135 106 R CA 1.992 58.138 56.100 0.077 0.000 0.967 106 R CB -1.346 28.994 30.300 0.066 0.000 0.861 106 R HN 0.506 nan 8.270 nan 0.000 0.442 107 A N 0.708 123.567 122.820 0.065 0.000 2.070 107 A HA -0.111 4.209 4.320 -0.000 0.000 0.220 107 A C 1.685 179.307 177.584 0.064 0.000 1.159 107 A CA 1.230 53.301 52.037 0.057 0.000 0.656 107 A CB -0.153 18.874 19.000 0.045 0.000 0.800 107 A HN 0.213 nan 8.150 nan 0.000 0.453 108 R N -1.152 119.388 120.500 0.066 0.000 2.508 108 R HA 0.375 4.715 4.340 -0.000 0.000 0.300 108 R C 0.961 177.296 176.300 0.058 0.000 0.970 108 R CA -0.196 55.938 56.100 0.058 0.000 1.102 108 R CB 0.059 30.382 30.300 0.039 0.000 1.246 108 R HN 0.417 nan 8.270 nan 0.000 0.539 109 L N -0.280 120.994 121.223 0.085 0.000 2.265 109 L HA -0.149 4.191 4.340 -0.000 0.000 0.215 109 L C 1.092 177.900 176.870 -0.103 0.000 1.117 109 L CA 1.430 56.286 54.840 0.026 0.000 0.782 109 L CB -0.141 41.967 42.059 0.082 0.000 0.914 109 L HN 0.299 nan 8.230 nan 0.000 0.441 110 H N -1.623 117.453 119.070 0.010 0.000 2.755 110 H HA 0.174 4.730 4.556 0.000 0.000 0.273 110 H C 0.194 175.527 175.328 0.008 0.000 1.055 110 H CA -0.298 55.755 56.048 0.007 0.000 1.191 110 H CB 0.400 30.166 29.762 0.007 0.000 1.536 110 H HN 0.023 nan 8.280 nan 0.000 0.529 111 K N 1.026 121.478 120.400 0.087 0.000 2.126 111 K HA 0.123 4.443 4.320 -0.000 0.000 0.257 111 K C -0.037 176.574 176.600 0.018 0.000 1.007 111 K CA -0.201 56.115 56.287 0.048 0.000 0.928 111 K CB 1.049 33.574 32.500 0.042 0.000 1.013 111 K HN 0.320 nan 8.250 nan 0.000 0.473 112 E N 1.591 121.800 120.200 0.015 0.000 2.148 112 E HA -0.000 4.350 4.350 -0.000 0.000 0.308 112 E C -0.811 175.801 176.600 0.020 0.000 1.278 112 E CA -0.102 56.299 56.400 0.003 0.000 1.368 112 E CB -0.092 29.612 29.700 0.007 0.000 1.229 112 E HN 0.320 nan 8.360 nan 0.000 0.494 113 D N 0.640 121.050 120.400 0.017 0.000 2.414 113 D HA -0.043 4.597 4.640 -0.000 0.000 0.242 113 D C -0.459 175.883 176.300 0.069 0.000 1.129 113 D CA -0.227 53.802 54.000 0.049 0.000 0.885 113 D CB 0.438 41.258 40.800 0.035 0.000 1.198 113 D HN 0.111 nan 8.370 nan 0.000 0.437 114 F N 3.118 123.049 119.950 -0.032 0.000 2.604 114 F HA -0.074 4.453 4.527 -0.000 0.000 0.393 114 F C 0.980 176.761 175.800 -0.031 0.000 1.043 114 F CA 0.659 58.640 58.000 -0.032 0.000 1.227 114 F CB -0.012 38.966 39.000 -0.037 0.000 1.016 114 F HN 0.557 nan 8.300 nan 0.000 0.556 115 Q N 2.373 121.753 119.800 -0.699 0.000 2.481 115 Q HA -0.232 4.108 4.340 -0.000 0.000 0.272 115 Q C -0.552 175.302 176.000 -0.244 0.000 1.157 115 Q CA 0.624 56.088 55.803 -0.565 0.000 0.935 115 Q CB -1.636 26.664 28.738 -0.729 0.000 1.338 115 Q HN 0.774 nan 8.270 nan 0.000 0.494 116 A N 0.457 123.179 122.820 -0.163 0.000 2.258 116 A HA 0.714 5.034 4.320 -0.000 0.000 0.316 116 A C -0.489 177.030 177.584 -0.107 0.000 1.279 116 A CA -0.301 51.674 52.037 -0.102 0.000 0.876 116 A CB 1.624 20.584 19.000 -0.067 0.000 1.170 116 A HN 0.191 nan 8.150 nan 0.000 0.520 117 V N 1.995 121.851 119.914 -0.097 0.000 2.962 117 V HA 0.455 4.575 4.120 -0.000 0.000 0.313 117 V C -0.923 175.123 176.094 -0.080 0.000 1.099 117 V CA -0.632 61.614 62.300 -0.090 0.000 0.971 117 V CB 2.236 34.011 31.823 -0.081 0.000 1.028 117 V HN 0.890 nan 8.190 nan 0.000 0.430 118 D N 3.965 124.318 120.400 -0.079 0.000 2.608 118 D HA 0.076 4.716 4.640 -0.000 0.000 0.224 118 D C 0.967 177.243 176.300 -0.040 0.000 1.123 118 D CA 0.017 53.979 54.000 -0.062 0.000 1.030 118 D CB 0.174 40.937 40.800 -0.062 0.000 1.093 118 D HN 0.493 nan 8.370 nan 0.000 0.497 119 I N 1.744 122.291 120.570 -0.037 0.000 2.361 119 I HA -0.166 4.004 4.170 -0.000 0.000 0.251 119 I C 1.936 178.042 176.117 -0.019 0.000 1.133 119 I CA 1.310 62.593 61.300 -0.028 0.000 1.413 119 I CB -0.081 37.901 38.000 -0.030 0.000 1.073 119 I HN 0.393 nan 8.210 nan 0.000 0.424 120 E N 0.520 120.712 120.200 -0.014 0.000 2.049 120 E HA -0.291 4.059 4.350 -0.000 0.000 0.198 120 E C 2.201 178.799 176.600 -0.004 0.000 1.007 120 E CA 1.679 58.075 56.400 -0.005 0.000 0.809 120 E CB -0.296 29.406 29.700 0.003 0.000 0.749 120 E HN 0.582 nan 8.360 nan 0.000 0.450 121 A N 0.560 123.377 122.820 -0.005 0.000 1.930 121 A HA -0.108 4.212 4.320 -0.000 0.000 0.217 121 A C 2.183 179.762 177.584 -0.008 0.000 1.175 121 A CA 1.236 53.271 52.037 -0.004 0.000 0.627 121 A CB -0.521 18.477 19.000 -0.004 0.000 0.815 121 A HN 0.358 nan 8.150 nan 0.000 0.443 122 I N -0.462 120.100 120.570 -0.013 0.000 2.315 122 I HA -0.225 3.945 4.170 -0.000 0.000 0.248 122 I C 2.716 178.827 176.117 -0.011 0.000 1.117 122 I CA 1.153 62.444 61.300 -0.015 0.000 1.404 122 I CB -0.145 37.844 38.000 -0.018 0.000 1.071 122 I HN 0.345 nan 8.210 nan 0.000 0.419 123 A N -0.075 122.741 122.820 -0.007 0.000 2.132 123 A HA -0.075 4.245 4.320 -0.000 0.000 0.213 123 A C 2.171 179.757 177.584 0.004 0.000 1.154 123 A CA 0.537 52.575 52.037 0.000 0.000 0.753 123 A CB -0.213 18.785 19.000 -0.002 0.000 0.826 123 A HN 0.193 nan 8.150 nan 0.000 0.469 124 K N 0.519 120.920 120.400 0.001 0.000 2.059 124 K HA -0.154 4.166 4.320 -0.000 0.000 0.212 124 K C -1.088 175.516 176.600 0.007 0.000 1.050 124 K CA 2.212 58.502 56.287 0.005 0.000 0.927 124 K CB -0.766 31.736 32.500 0.003 0.000 0.714 124 K HN 0.379 nan 8.250 nan 0.000 0.447 125 P HA -0.073 nan 4.420 nan 0.000 0.230 125 P C -0.015 177.293 177.300 0.014 0.000 1.158 125 P CA 0.877 63.977 63.100 0.000 0.000 0.769 125 P CB 0.260 31.948 31.700 -0.019 0.000 0.807 126 V N -4.293 115.638 119.914 0.028 0.000 2.909 126 V HA 0.468 4.588 4.120 -0.000 0.000 0.362 126 V C -0.183 175.950 176.094 0.064 0.000 1.356 126 V CA -0.397 61.945 62.300 0.070 0.000 1.195 126 V CB -0.435 31.447 31.823 0.099 0.000 1.256 126 V HN 0.056 nan 8.190 nan 0.000 0.567 127 S N -1.494 114.229 115.700 0.039 0.000 2.550 127 S HA 0.621 5.091 4.470 -0.000 0.000 0.270 127 S C -0.663 173.949 174.600 0.019 0.000 1.145 127 S CA -1.040 57.175 58.200 0.026 0.000 0.852 127 S CB 2.085 65.293 63.200 0.014 0.000 1.119 127 S HN 0.319 nan 8.310 nan 0.000 0.465 131 V N 2.212 122.126 119.914 -0.001 0.000 2.808 131 V HA 0.806 4.926 4.120 -0.000 0.000 0.308 131 V C -0.436 175.660 176.094 0.004 0.000 1.099 131 V CA -0.099 62.204 62.300 0.006 0.000 0.920 131 V CB 2.341 34.171 31.823 0.011 0.000 1.014 131 V HN 1.047 nan 8.190 nan 0.000 0.425 132 T N 5.901 120.461 114.554 0.011 0.000 2.743 132 T HA 0.407 4.757 4.350 -0.000 0.000 0.293 132 T C -0.182 174.530 174.700 0.019 0.000 0.945 132 T CA -0.121 61.987 62.100 0.014 0.000 1.030 132 T CB 1.042 69.922 68.868 0.021 0.000 0.912 132 T HN 0.581 nan 8.240 nan 0.000 0.483 133 V N 6.088 126.012 119.914 0.017 0.000 2.439 133 V HA 0.135 4.255 4.120 -0.000 0.000 0.271 133 V C 1.454 177.562 176.094 0.024 0.000 1.040 133 V CA -0.164 62.147 62.300 0.019 0.000 1.002 133 V CB 0.536 32.367 31.823 0.014 0.000 1.000 133 V HN 0.759 nan 8.190 nan 0.000 0.477 134 R N 2.377 122.892 120.500 0.026 0.000 2.280 134 R HA 0.276 4.616 4.340 -0.000 0.000 0.195 134 R C 0.259 176.575 176.300 0.027 0.000 0.935 134 R CA 0.140 56.258 56.100 0.029 0.000 1.033 134 R CB 0.444 30.761 30.300 0.029 0.000 0.964 134 R HN 0.618 nan 8.270 nan 0.000 0.489 135 E N -0.803 119.411 120.200 0.022 0.000 2.340 135 E HA 0.395 4.745 4.350 -0.000 0.000 0.273 135 E C -0.021 176.586 176.600 0.012 0.000 0.891 135 E CA -0.373 56.038 56.400 0.019 0.000 0.757 135 E CB 2.142 31.855 29.700 0.021 0.000 1.231 135 E HN -0.109 nan 8.360 nan 0.000 0.439 136 A N 2.208 125.032 122.820 0.007 0.000 1.892 136 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 136 A C 1.910 179.485 177.584 -0.016 0.000 1.188 136 A CA 2.462 54.495 52.037 -0.007 0.000 0.631 136 A CB -0.543 18.453 19.000 -0.007 0.000 0.822 136 A HN 0.607 nan 8.150 nan 0.000 0.447 137 A N -0.826 121.995 122.820 0.002 0.000 2.121 137 A HA 0.106 4.426 4.320 -0.000 0.000 0.218 137 A C 1.964 179.557 177.584 0.014 0.000 1.154 137 A CA 1.197 53.242 52.037 0.012 0.000 0.679 137 A CB -0.491 18.532 19.000 0.038 0.000 0.795 137 A HN 0.488 nan 8.150 nan 0.000 0.458 138 L N -0.830 120.401 121.223 0.013 0.000 2.492 138 L HA -0.052 4.288 4.340 -0.000 0.000 0.223 138 L C 2.206 179.081 176.870 0.010 0.000 1.132 138 L CA 0.072 54.925 54.840 0.022 0.000 0.850 138 L CB -0.271 41.803 42.059 0.026 0.000 0.966 138 L HN 0.211 nan 8.230 nan 0.000 0.454 139 V N 1.192 121.094 119.914 -0.019 0.000 2.252 139 V HA -0.197 3.923 4.120 -0.000 0.000 0.249 139 V C -0.034 176.034 176.094 -0.044 0.000 1.056 139 V CA 2.266 64.548 62.300 -0.030 0.000 1.022 139 V CB -1.698 30.094 31.823 -0.051 0.000 0.641 139 V HN 0.394 nan 8.190 nan 0.000 0.445 140 P HA -0.138 nan 4.420 nan 0.000 0.220 140 P C 1.366 178.710 177.300 0.074 0.000 1.148 140 P CA 1.251 64.269 63.100 -0.137 0.000 0.803 140 P CB -0.127 31.304 31.700 -0.449 0.000 0.782 141 R N -0.265 120.291 120.500 0.092 0.000 2.093 141 R HA 0.037 4.377 4.340 -0.000 0.000 0.224 141 R C 2.365 178.741 176.300 0.125 0.000 1.101 141 R CA 0.609 56.793 56.100 0.140 0.000 0.979 141 R CB -1.742 28.623 30.300 0.107 0.000 0.877 141 R HN 0.163 nan 8.270 nan 0.000 0.441 142 V N 1.817 121.784 119.914 0.088 0.000 2.343 142 V HA -0.192 3.928 4.120 -0.000 0.000 0.247 142 V C 2.487 178.647 176.094 0.110 0.000 1.051 142 V CA 1.446 63.794 62.300 0.079 0.000 1.036 142 V CB -0.471 31.380 31.823 0.047 0.000 0.654 142 V HN 0.165 nan 8.190 nan 0.000 0.451 143 L N -0.512 120.792 121.223 0.135 0.000 2.046 143 L HA -0.251 4.089 4.340 -0.000 0.000 0.208 143 L C 2.643 179.745 176.870 0.387 0.000 1.077 143 L CA 1.939 56.914 54.840 0.225 0.000 0.747 143 L CB -0.645 41.549 42.059 0.226 0.000 0.896 143 L HN 0.385 nan 8.230 nan 0.000 0.432 144 Q N -0.091 119.921 119.800 0.353 0.000 2.077 144 Q HA -0.323 4.017 4.340 -0.000 0.000 0.206 144 Q C 2.259 178.446 176.000 0.311 0.000 0.989 144 Q CA 2.175 58.219 55.803 0.401 0.000 0.853 144 Q CB -0.026 28.936 28.738 0.373 0.000 0.907 144 Q HN 0.320 nan 8.270 nan 0.000 0.418 145 Q N -0.116 119.815 119.800 0.219 0.000 2.167 145 Q HA -0.084 4.256 4.340 -0.000 0.000 0.202 145 Q C 1.693 177.812 176.000 0.199 0.000 0.970 145 Q CA 1.722 57.635 55.803 0.183 0.000 0.855 145 Q CB -0.402 28.407 28.738 0.118 0.000 0.911 145 Q HN 0.462 nan 8.270 nan 0.000 0.438 146 A N -0.683 122.226 122.820 0.148 0.000 1.902 146 A HA -0.115 4.205 4.320 -0.000 0.000 0.217 146 A C 1.821 179.398 177.584 -0.013 0.000 1.181 146 A CA 1.341 53.389 52.037 0.020 0.000 0.623 146 A CB -0.864 18.079 19.000 -0.095 0.000 0.818 146 A HN 0.466 nan 8.150 nan 0.000 0.443 147 F N -0.865 119.158 119.950 0.122 0.000 2.259 147 F HA -0.103 4.424 4.527 -0.000 0.000 0.298 147 F C 2.313 178.190 175.800 0.127 0.000 1.088 147 F CA 1.437 59.508 58.000 0.117 0.000 1.358 147 F CB -0.427 38.655 39.000 0.136 0.000 1.040 147 F HN 0.476 nan 8.300 nan 0.000 0.505 148 H N 0.805 120.017 119.070 0.236 0.000 2.293 148 H HA -0.081 4.475 4.556 0.000 0.000 0.300 148 H C 1.221 176.620 175.328 0.119 0.000 1.082 148 H CA 0.987 57.129 56.048 0.157 0.000 1.308 148 H CB -0.447 29.388 29.762 0.122 0.000 1.375 148 H HN 0.100 nan 8.280 nan 0.000 0.495 152 S N 0.316 115.948 115.700 -0.113 0.000 2.646 152 S HA 0.575 5.045 4.470 -0.000 0.000 0.276 152 S C 0.788 175.360 174.600 -0.046 0.000 1.222 152 S CA 0.256 58.387 58.200 -0.115 0.000 1.014 152 S CB 1.507 64.530 63.200 -0.295 0.000 0.991 152 S HN 0.527 nan 8.310 nan 0.000 0.533 153 G N 2.147 110.937 108.800 -0.017 0.000 2.634 153 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.309 153 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.309 153 G C 0.010 174.896 174.900 -0.023 0.000 1.265 153 G CA 0.387 45.492 45.100 0.008 0.000 0.998 153 G HN 0.793 nan 8.290 nan 0.000 0.551 154 R N 2.001 122.502 120.500 0.002 0.000 2.288 154 R HA 0.409 4.749 4.340 -0.000 0.000 0.330 154 R C -2.193 174.102 176.300 -0.007 0.000 1.069 154 R CA -1.239 54.857 56.100 -0.007 0.000 0.941 154 R CB 0.424 30.725 30.300 0.002 0.000 0.998 154 R HN 0.255 nan 8.270 nan 0.000 0.452 155 P HA 0.202 nan 4.420 nan 0.000 0.271 155 P C -0.629 176.669 177.300 -0.004 0.000 1.218 155 P CA -0.162 62.931 63.100 -0.010 0.000 0.780 155 P CB 1.331 33.029 31.700 -0.005 0.000 0.901 156 G N 1.412 110.208 108.800 -0.006 0.000 2.608 156 G HA2 0.576 4.536 3.960 -0.000 0.000 0.291 156 G HA3 0.576 4.536 3.960 -0.000 0.000 0.291 156 G C -3.270 171.624 174.900 -0.010 0.000 1.425 156 G CA -1.160 43.939 45.100 -0.001 0.000 0.787 156 G HN 0.256 nan 8.290 nan 0.000 0.484 157 P HA 0.591 nan 4.420 nan 0.000 0.278 157 P C -0.825 176.457 177.300 -0.030 0.000 1.258 157 P CA -0.505 62.584 63.100 -0.018 0.000 0.811 157 P CB 2.144 33.845 31.700 0.002 0.000 1.063 158 V N 2.097 121.977 119.914 -0.057 0.000 2.789 158 V HA 0.405 4.525 4.120 -0.000 0.000 0.311 158 V C -0.096 175.960 176.094 -0.063 0.000 1.073 158 V CA -0.825 61.439 62.300 -0.060 0.000 0.921 158 V CB 2.107 33.876 31.823 -0.091 0.000 1.009 158 V HN 0.453 nan 8.190 nan 0.000 0.426 159 L N 4.794 125.989 121.223 -0.045 0.000 2.333 159 L HA 0.780 5.120 4.340 -0.000 0.000 0.280 159 L C -1.157 175.685 176.870 -0.046 0.000 1.004 159 L CA -0.401 54.410 54.840 -0.048 0.000 0.820 159 L CB 1.745 43.784 42.059 -0.033 0.000 1.247 159 L HN 0.481 nan 8.230 nan 0.000 0.416 160 V N 3.595 123.473 119.914 -0.061 0.000 2.384 160 V HA 0.357 4.477 4.120 -0.000 0.000 0.287 160 V C -0.839 175.222 176.094 -0.055 0.000 1.020 160 V CA -0.526 61.744 62.300 -0.050 0.000 0.850 160 V CB 1.632 33.424 31.823 -0.051 0.000 0.987 160 V HN 0.703 nan 8.190 nan 0.000 0.436 161 D N 4.671 125.052 120.400 -0.032 0.000 2.303 161 D HA 0.514 5.154 4.640 -0.000 0.000 0.236 161 D C -0.770 175.523 176.300 -0.012 0.000 1.068 161 D CA -0.181 53.803 54.000 -0.027 0.000 0.830 161 D CB 1.240 42.031 40.800 -0.016 0.000 1.109 161 D HN 0.424 nan 8.370 nan 0.000 0.496 162 L N 5.828 127.044 121.223 -0.012 0.000 2.324 162 L HA 0.428 4.768 4.340 -0.000 0.000 0.274 162 L C -2.164 174.726 176.870 0.035 0.000 1.012 162 L CA -2.024 52.820 54.840 0.007 0.000 0.859 162 L CB 1.623 43.682 42.059 -0.001 0.000 1.224 162 L HN 0.236 nan 8.230 nan 0.000 0.429 163 P HA -0.042 nan 4.420 nan 0.000 0.266 163 P C 0.600 177.971 177.300 0.119 0.000 1.195 163 P CA 0.012 63.165 63.100 0.090 0.000 0.768 163 P CB 0.557 32.303 31.700 0.078 0.000 0.838 164 F N 3.785 123.753 119.950 0.030 0.000 2.091 164 F HA -0.302 4.225 4.527 -0.000 0.000 0.299 164 F C 1.879 177.700 175.800 0.035 0.000 1.103 164 F CA 2.408 60.430 58.000 0.037 0.000 1.228 164 F CB -0.213 38.808 39.000 0.036 0.000 0.984 164 F HN 0.357 nan 8.300 nan 0.000 0.477 165 D N -0.443 120.109 120.400 0.254 0.000 2.219 165 D HA -0.136 4.504 4.640 -0.000 0.000 0.205 165 D C 2.151 178.475 176.300 0.039 0.000 0.970 165 D CA 1.338 55.428 54.000 0.151 0.000 0.851 165 D CB -1.142 39.749 40.800 0.152 0.000 0.943 165 D HN 0.311 nan 8.370 nan 0.000 0.488 166 V N 0.768 120.699 119.914 0.029 0.000 2.358 166 V HA -0.249 3.871 4.120 -0.000 0.000 0.246 166 V C 2.730 178.802 176.094 -0.036 0.000 1.047 166 V CA 1.760 64.063 62.300 0.004 0.000 1.035 166 V CB -0.677 31.155 31.823 0.016 0.000 0.658 166 V HN 0.172 nan 8.190 nan 0.000 0.452 167 Q N -0.002 119.752 119.800 -0.077 0.000 2.050 167 Q HA -0.172 4.168 4.340 -0.000 0.000 0.202 167 Q C 2.215 178.131 176.000 -0.141 0.000 0.980 167 Q CA 2.227 57.962 55.803 -0.113 0.000 0.840 167 Q CB -0.334 28.300 28.738 -0.173 0.000 0.898 167 Q HN 0.731 nan 8.270 nan 0.000 0.424 168 V N -2.478 117.323 119.914 -0.188 0.000 3.406 168 V HA 0.308 4.428 4.120 -0.000 0.000 0.263 168 V C 0.812 176.869 176.094 -0.061 0.000 1.172 168 V CA 0.160 62.372 62.300 -0.146 0.000 1.140 168 V CB -0.745 30.969 31.823 -0.182 0.000 0.784 168 V HN 0.162 nan 8.190 nan 0.000 0.467 169 A N 1.150 123.947 122.820 -0.039 0.000 2.407 169 A HA 0.384 4.704 4.320 -0.000 0.000 0.248 169 A C 0.433 178.010 177.584 -0.012 0.000 1.082 169 A CA -0.260 51.771 52.037 -0.011 0.000 0.785 169 A CB 0.030 19.031 19.000 0.002 0.000 1.020 169 A HN 0.524 nan 8.150 nan 0.000 0.489 170 E N 0.794 120.995 120.200 0.002 0.000 2.313 170 E HA 0.424 4.774 4.350 -0.000 0.000 0.276 170 E C -0.173 176.435 176.600 0.014 0.000 1.031 170 E CA 0.131 56.536 56.400 0.008 0.000 0.857 170 E CB 1.114 30.823 29.700 0.015 0.000 1.040 170 E HN 0.610 nan 8.360 nan 0.000 0.408 171 I N -1.823 118.760 120.570 0.021 0.000 3.042 171 I HA 0.487 4.657 4.170 -0.000 0.000 0.310 171 I C -0.408 175.751 176.117 0.069 0.000 1.117 171 I CA -1.166 60.158 61.300 0.039 0.000 1.003 171 I CB 2.271 40.286 38.000 0.026 0.000 1.228 171 I HN 0.233 nan 8.210 nan 0.000 0.443 172 E N 2.341 122.594 120.200 0.087 0.000 2.174 172 E HA 0.512 4.862 4.350 -0.000 0.000 0.282 172 E C -2.017 174.700 176.600 0.195 0.000 0.992 172 E CA -0.540 55.922 56.400 0.102 0.000 0.803 172 E CB 1.381 31.116 29.700 0.059 0.000 1.090 172 E HN 0.532 nan 8.360 nan 0.000 0.396 173 F N 3.855 123.790 119.950 -0.025 0.000 2.630 173 F HA 0.237 4.764 4.527 -0.000 0.000 0.325 173 F C -1.579 174.175 175.800 -0.076 0.000 1.184 173 F CA -1.003 56.975 58.000 -0.036 0.000 1.011 173 F CB 1.700 40.679 39.000 -0.034 0.000 1.268 173 F HN 0.331 nan 8.300 nan 0.000 0.480 174 D N 8.052 128.091 120.400 -0.603 0.000 2.443 174 D HA 0.369 5.009 4.640 -0.000 0.000 0.221 174 D C -1.692 174.137 176.300 -0.785 0.000 1.097 174 D CA -2.191 51.499 54.000 -0.517 0.000 0.865 174 D CB 1.928 42.548 40.800 -0.301 0.000 1.034 174 D HN 0.284 nan 8.370 nan 0.000 0.511 175 P HA -0.047 nan 4.420 nan 0.000 0.221 175 P C 0.155 177.315 177.300 -0.233 0.000 1.150 175 P CA 0.353 63.150 63.100 -0.506 0.000 0.800 175 P CB 0.550 31.865 31.700 -0.642 0.000 0.787 179 E N 7.548 127.342 120.200 -0.678 0.000 2.185 179 E HA 0.368 4.718 4.350 -0.000 0.000 0.261 179 E C -2.735 173.481 176.600 -0.640 0.000 0.879 179 E CA -2.019 54.101 56.400 -0.467 0.000 0.756 179 E CB 2.020 31.574 29.700 -0.244 0.000 1.152 179 E HN 0.389 nan 8.360 nan 0.000 0.416 180 P HA 0.017 nan 4.420 nan 0.000 0.266 180 P C 0.002 177.246 177.300 -0.093 0.000 1.195 180 P CA 0.140 63.146 63.100 -0.157 0.000 0.768 180 P CB 0.526 32.227 31.700 0.001 0.000 0.838 181 L N 4.798 126.010 121.223 -0.018 0.000 2.452 181 L HA 0.275 4.615 4.340 -0.000 0.000 0.267 181 L C -1.475 175.444 176.870 0.082 0.000 1.188 181 L CA -1.828 53.014 54.840 0.004 0.000 0.821 181 L CB -0.394 41.661 42.059 -0.007 0.000 1.102 181 L HN 0.315 nan 8.230 nan 0.000 0.470 182 P HA 0.092 nan 4.420 nan 0.000 0.271 182 P C -0.751 176.690 177.300 0.235 0.000 1.218 182 P CA -0.293 62.876 63.100 0.114 0.000 0.780 182 P CB 0.803 32.550 31.700 0.078 0.000 0.901 183 V N 3.886 123.911 119.914 0.185 0.000 2.461 183 V HA 0.034 4.154 4.120 -0.000 0.000 0.275 183 V C 0.126 176.331 176.094 0.184 0.000 1.047 183 V CA -0.390 62.017 62.300 0.178 0.000 0.955 183 V CB -0.118 31.756 31.823 0.086 0.000 0.988 183 V HN 0.464 nan 8.190 nan 0.000 0.471 184 Y N 6.233 126.585 120.300 0.088 0.000 2.336 184 Y HA 0.509 5.059 4.550 0.000 0.000 0.335 184 Y C 0.103 176.011 175.900 0.014 0.000 1.046 184 Y CA -0.608 57.534 58.100 0.071 0.000 1.198 184 Y CB 0.516 39.045 38.460 0.115 0.000 1.182 184 Y HN 0.569 nan 8.280 nan 0.000 0.502 185 K N 8.397 128.364 120.400 -0.722 0.000 2.581 185 K HA 0.309 4.629 4.320 -0.000 0.000 0.249 185 K C -2.863 173.343 176.600 -0.657 0.000 0.966 185 K CA -1.894 53.969 56.287 -0.706 0.000 0.811 185 K CB 2.056 34.382 32.500 -0.291 0.000 1.223 185 K HN 0.486 nan 8.250 nan 0.000 0.438 186 P HA 0.255 nan 4.420 nan 0.000 0.274 186 P C -1.227 175.982 177.300 -0.151 0.000 1.231 186 P CA -0.491 62.455 63.100 -0.256 0.000 0.790 186 P CB 1.191 32.811 31.700 -0.133 0.000 0.951 187 A N 1.371 124.143 122.820 -0.079 0.000 2.414 187 A HA 0.681 5.001 4.320 -0.000 0.000 0.306 187 A C -0.187 177.375 177.584 -0.037 0.000 1.054 187 A CA -0.723 51.279 52.037 -0.058 0.000 0.724 187 A CB 1.421 20.395 19.000 -0.045 0.000 1.267 187 A HN 0.634 nan 8.150 nan 0.000 0.418 188 A N 1.324 124.121 122.820 -0.038 0.000 2.406 188 A HA 0.598 4.918 4.320 -0.000 0.000 0.243 188 A C 0.870 178.445 177.584 -0.016 0.000 1.082 188 A CA 0.450 52.470 52.037 -0.028 0.000 0.786 188 A CB -0.133 18.847 19.000 -0.033 0.000 1.029 188 A HN 2.024 nan 8.150 nan 0.000 0.495 189 S N 1.091 116.786 115.700 -0.008 0.000 2.654 189 S HA 0.543 5.013 4.470 -0.000 0.000 0.283 189 S C 0.368 174.969 174.600 0.002 0.000 1.180 189 S CA -0.668 57.531 58.200 -0.001 0.000 1.021 189 S CB 0.922 64.124 63.200 0.003 0.000 1.018 189 S HN 0.980 nan 8.310 nan 0.000 0.532 193 I N 2.011 122.598 120.570 0.028 0.000 2.315 193 I HA -0.160 4.010 4.170 -0.000 0.000 0.248 193 I C 1.901 178.061 176.117 0.072 0.000 1.117 193 I CA 1.749 63.077 61.300 0.047 0.000 1.404 193 I CB -0.755 37.257 38.000 0.020 0.000 1.071 193 I HN 0.323 nan 8.210 nan 0.000 0.419 194 E N 0.749 120.981 120.200 0.055 0.000 2.085 194 E HA -0.288 4.062 4.350 -0.000 0.000 0.194 194 E C 2.122 178.764 176.600 0.070 0.000 0.994 194 E CA 1.478 57.914 56.400 0.059 0.000 0.801 194 E CB -0.048 29.677 29.700 0.042 0.000 0.743 194 E HN 0.224 nan 8.360 nan 0.000 0.453 195 K N 0.900 121.337 120.400 0.062 0.000 2.057 195 K HA -0.124 4.196 4.320 -0.000 0.000 0.207 195 K C 1.840 178.501 176.600 0.101 0.000 1.049 195 K CA 1.368 57.694 56.287 0.065 0.000 0.931 195 K CB -0.292 32.234 32.500 0.045 0.000 0.714 195 K HN 0.113 nan 8.250 nan 0.000 0.440 196 A N -0.086 122.813 122.820 0.132 0.000 1.902 196 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 196 A C 2.283 180.065 177.584 0.330 0.000 1.181 196 A CA 1.844 54.027 52.037 0.244 0.000 0.623 196 A CB -0.696 18.471 19.000 0.279 0.000 0.818 196 A HN 0.130 nan 8.150 nan 0.000 0.443 197 V N 0.240 120.293 119.914 0.231 0.000 2.453 197 V HA -0.131 3.989 4.120 -0.000 0.000 0.247 197 V C 1.358 177.525 176.094 0.121 0.000 1.048 197 V CA 1.174 63.580 62.300 0.177 0.000 1.049 197 V CB -0.802 31.111 31.823 0.150 0.000 0.672 197 V HN 0.570 nan 8.190 nan 0.000 0.457 201 I N -0.157 120.427 120.570 0.024 0.000 2.493 201 I HA -0.146 4.024 4.170 -0.000 0.000 0.254 201 I C 1.779 177.892 176.117 -0.006 0.000 1.160 201 I CA 1.815 63.114 61.300 -0.001 0.000 1.445 201 I CB -0.570 37.434 38.000 0.006 0.000 1.086 201 I HN 0.602 nan 8.210 nan 0.000 0.433 202 Q N 2.062 121.865 119.800 0.004 0.000 2.403 202 Q HA 0.383 4.723 4.340 -0.000 0.000 0.203 202 Q C 0.918 176.901 176.000 -0.027 0.000 0.932 202 Q CA 0.216 56.014 55.803 -0.009 0.000 0.945 202 Q CB -0.107 28.632 28.738 0.001 0.000 1.045 202 Q HN 0.532 nan 8.270 nan 0.000 0.511 203 A N 1.423 124.224 122.820 -0.032 0.000 2.409 203 A HA 0.100 4.420 4.320 -0.000 0.000 0.262 203 A C 0.489 177.999 177.584 -0.123 0.000 1.113 203 A CA -0.415 51.579 52.037 -0.071 0.000 0.790 203 A CB 0.531 19.498 19.000 -0.055 0.000 1.046 203 A HN 0.350 nan 8.150 nan 0.000 0.496 204 E N 1.310 121.408 120.200 -0.171 0.000 2.112 204 E HA -0.040 4.310 4.350 -0.000 0.000 0.190 204 E C 0.225 176.584 176.600 -0.403 0.000 0.979 204 E CA 0.772 57.045 56.400 -0.211 0.000 0.814 204 E CB 0.129 29.722 29.700 -0.178 0.000 0.762 204 E HN 0.658 nan 8.360 nan 0.000 0.460 205 R N 0.949 121.082 120.500 -0.611 0.000 2.674 205 R HA 0.210 4.550 4.340 -0.000 0.000 0.270 205 R C -2.628 173.133 176.300 -0.900 0.000 1.492 205 R CA -1.275 54.005 56.100 -1.367 0.000 1.624 205 R CB 1.374 30.688 30.300 -1.645 0.000 1.307 205 R HN 0.071 nan 8.270 nan 0.000 0.683 206 P HA 0.167 nan 4.420 nan 0.000 0.281 206 P C -0.327 177.072 177.300 0.165 0.000 1.249 206 P CA -0.334 62.722 63.100 -0.073 0.000 0.810 206 P CB 1.729 33.415 31.700 -0.023 0.000 1.008 207 V N 0.091 120.122 119.914 0.195 0.000 2.789 207 V HA 0.575 4.695 4.120 -0.000 0.000 0.311 207 V C -0.330 175.906 176.094 0.236 0.000 1.073 207 V CA -1.131 61.315 62.300 0.243 0.000 0.921 207 V CB 1.817 33.794 31.823 0.256 0.000 1.009 207 V HN 0.307 nan 8.190 nan 0.000 0.426 208 I N 3.467 124.163 120.570 0.210 0.000 2.331 208 I HA 0.429 4.599 4.170 -0.000 0.000 0.292 208 I C -0.377 175.867 176.117 0.211 0.000 0.998 208 I CA -0.697 60.757 61.300 0.257 0.000 1.267 208 I CB 1.827 39.956 38.000 0.214 0.000 1.386 208 I HN 0.458 nan 8.210 nan 0.000 0.476 209 V N 6.686 126.731 119.914 0.220 0.000 2.333 209 V HA 0.449 4.569 4.120 -0.000 0.000 0.274 209 V C 0.436 176.569 176.094 0.065 0.000 1.028 209 V CA -0.500 61.882 62.300 0.137 0.000 0.851 209 V CB 1.164 33.076 31.823 0.147 0.000 1.000 209 V HN 0.816 nan 8.190 nan 0.000 0.456 210 A N 4.505 127.354 122.820 0.049 0.000 2.252 210 A HA 0.797 5.117 4.320 -0.000 0.000 0.309 210 A C 0.573 178.144 177.584 -0.023 0.000 1.285 210 A CA 0.060 52.117 52.037 0.032 0.000 0.900 210 A CB 0.629 19.664 19.000 0.058 0.000 1.157 210 A HN 0.894 nan 8.150 nan 0.000 0.536 211 G N 0.763 109.530 108.800 -0.055 0.000 2.531 211 G HA2 0.449 4.409 3.960 -0.000 0.000 0.313 211 G HA3 0.449 4.409 3.960 -0.000 0.000 0.313 211 G C 0.987 175.865 174.900 -0.036 0.000 1.238 211 G CA -0.048 44.998 45.100 -0.090 0.000 0.994 211 G HN 1.043 nan 8.290 nan 0.000 0.493 212 G N -0.763 108.015 108.800 -0.037 0.000 2.498 212 G HA2 0.051 4.011 3.960 -0.000 0.000 0.219 212 G HA3 0.051 4.011 3.960 -0.000 0.000 0.219 212 G C 1.598 176.494 174.900 -0.008 0.000 1.119 212 G CA 1.383 46.480 45.100 -0.004 0.000 0.766 212 G HN 0.912 nan 8.290 nan 0.000 0.552 213 G N 0.479 109.265 108.800 -0.024 0.000 2.432 213 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.219 213 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.219 213 G C 1.716 176.609 174.900 -0.012 0.000 1.135 213 G CA 1.059 46.146 45.100 -0.021 0.000 0.767 213 G HN 0.316 nan 8.290 nan 0.000 0.550 214 V N 1.173 121.085 119.914 -0.003 0.000 2.295 214 V HA -0.163 3.957 4.120 -0.000 0.000 0.246 214 V C 2.770 178.871 176.094 0.011 0.000 1.049 214 V CA 1.578 63.882 62.300 0.007 0.000 1.024 214 V CB -0.372 31.464 31.823 0.020 0.000 0.648 214 V HN 0.397 nan 8.190 nan 0.000 0.447 215 I N 0.212 120.793 120.570 0.019 0.000 2.252 215 I HA -0.215 3.955 4.170 -0.000 0.000 0.245 215 I C 2.509 178.637 176.117 0.018 0.000 1.102 215 I CA 1.383 62.698 61.300 0.025 0.000 1.385 215 I CB -0.529 37.496 38.000 0.041 0.000 1.064 215 I HN 0.359 nan 8.210 nan 0.000 0.414 216 N N 1.390 120.096 118.700 0.011 0.000 2.120 216 N HA -0.139 4.601 4.740 -0.000 0.000 0.188 216 N C 1.706 177.216 175.510 0.001 0.000 1.024 216 N CA 1.717 54.771 53.050 0.006 0.000 0.852 216 N CB 0.013 38.498 38.487 -0.003 0.000 1.003 216 N HN 0.343 nan 8.380 nan 0.000 0.424 217 A N -0.134 122.683 122.820 -0.005 0.000 2.208 217 A HA 0.007 4.327 4.320 -0.000 0.000 0.209 217 A C 0.343 177.926 177.584 -0.002 0.000 1.161 217 A CA 0.618 52.649 52.037 -0.010 0.000 0.782 217 A CB -0.070 18.918 19.000 -0.019 0.000 0.816 217 A HN 0.354 nan 8.150 nan 0.000 0.477 218 D N -2.715 117.688 120.400 0.005 0.000 2.716 218 D HA -0.168 4.472 4.640 -0.000 0.000 0.239 218 D C 0.282 176.587 176.300 0.008 0.000 1.125 218 D CA 0.986 54.992 54.000 0.009 0.000 0.681 218 D CB -1.392 39.414 40.800 0.009 0.000 1.070 218 D HN 0.595 nan 8.370 nan 0.000 0.432 219 A N -0.523 122.303 122.820 0.010 0.000 2.676 219 A HA 0.710 5.030 4.320 -0.000 0.000 0.297 219 A C 1.807 179.403 177.584 0.020 0.000 1.132 219 A CA 0.748 52.791 52.037 0.011 0.000 0.972 219 A CB 0.238 19.241 19.000 0.004 0.000 1.197 219 A HN 0.468 nan 8.150 nan 0.000 0.524 220 A N 0.230 123.062 122.820 0.020 0.000 1.898 220 A HA 0.197 4.517 4.320 -0.000 0.000 0.216 220 A C 2.373 179.973 177.584 0.027 0.000 1.181 220 A CA 1.884 53.934 52.037 0.023 0.000 0.620 220 A CB -0.716 18.294 19.000 0.016 0.000 0.819 220 A HN 1.204 nan 8.150 nan 0.000 0.442 221 A N -0.268 122.567 122.820 0.026 0.000 1.902 221 A HA -0.057 4.263 4.320 -0.000 0.000 0.217 221 A C 2.161 179.771 177.584 0.043 0.000 1.181 221 A CA 1.559 53.616 52.037 0.033 0.000 0.623 221 A CB -0.615 18.402 19.000 0.028 0.000 0.818 221 A HN 0.466 nan 8.150 nan 0.000 0.443 222 L N -1.179 120.069 121.223 0.042 0.000 2.141 222 L HA -0.129 4.211 4.340 -0.000 0.000 0.209 222 L C 2.528 179.450 176.870 0.087 0.000 1.094 222 L CA 1.001 55.873 54.840 0.055 0.000 0.763 222 L CB -0.422 41.657 42.059 0.033 0.000 0.908 222 L HN 0.484 nan 8.230 nan 0.000 0.437 223 L N -0.319 120.949 121.223 0.075 0.000 2.005 223 L HA -0.253 4.087 4.340 -0.000 0.000 0.207 223 L C 2.660 179.592 176.870 0.103 0.000 1.072 223 L CA 1.707 56.612 54.840 0.110 0.000 0.744 223 L CB -0.457 41.648 42.059 0.076 0.000 0.895 223 L HN 0.262 nan 8.230 nan 0.000 0.433 224 Q N -0.840 118.983 119.800 0.039 0.000 2.077 224 Q HA -0.329 4.011 4.340 -0.000 0.000 0.206 224 Q C 2.335 178.347 176.000 0.021 0.000 0.989 224 Q CA 2.333 58.125 55.803 -0.019 0.000 0.853 224 Q CB -0.263 28.471 28.738 -0.007 0.000 0.907 224 Q HN 0.701 nan 8.270 nan 0.000 0.418 225 Q N -0.744 119.097 119.800 0.068 0.000 2.084 225 Q HA -0.203 4.137 4.340 -0.000 0.000 0.202 225 Q C 1.879 177.936 176.000 0.094 0.000 0.978 225 Q CA 1.612 57.462 55.803 0.078 0.000 0.844 225 Q CB -0.229 28.558 28.738 0.083 0.000 0.898 225 Q HN 0.479 nan 8.270 nan 0.000 0.426 226 F N 0.601 120.541 119.950 -0.017 0.000 2.134 226 F HA -0.110 4.417 4.527 0.000 0.000 0.299 226 F C 1.969 177.739 175.800 -0.051 0.000 1.097 226 F CA 1.434 59.414 58.000 -0.033 0.000 1.264 226 F CB -0.642 38.336 39.000 -0.036 0.000 1.001 226 F HN 0.130 nan 8.300 nan 0.000 0.479 227 A N 0.107 122.829 122.820 -0.164 0.000 1.902 227 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 227 A C 2.150 179.611 177.584 -0.205 0.000 1.181 227 A CA 1.896 53.779 52.037 -0.256 0.000 0.623 227 A CB -0.935 17.985 19.000 -0.133 0.000 0.818 227 A HN 0.551 nan 8.150 nan 0.000 0.443 228 E N -0.268 119.873 120.200 -0.098 0.000 2.051 228 E HA -0.153 4.197 4.350 -0.000 0.000 0.192 228 E C 1.951 178.510 176.600 -0.068 0.000 0.991 228 E CA 1.240 57.626 56.400 -0.023 0.000 0.799 228 E CB -0.291 29.441 29.700 0.053 0.000 0.748 228 E HN 0.619 nan 8.360 nan 0.000 0.449 229 L N 0.543 121.705 121.223 -0.100 0.000 2.083 229 L HA -0.148 4.192 4.340 -0.000 0.000 0.209 229 L C 2.631 179.404 176.870 -0.162 0.000 1.083 229 L CA 1.554 56.335 54.840 -0.099 0.000 0.752 229 L CB -0.472 41.554 42.059 -0.056 0.000 0.899 229 L HN 0.313 nan 8.230 nan 0.000 0.433 230 T N -6.042 108.327 114.554 -0.309 0.000 3.065 230 T HA 0.081 4.431 4.350 -0.000 0.000 0.252 230 T C 1.003 175.586 174.700 -0.195 0.000 1.099 230 T CA 0.422 62.333 62.100 -0.315 0.000 1.063 230 T CB 0.347 68.867 68.868 -0.580 0.000 0.948 230 T HN 0.145 nan 8.240 nan 0.000 0.506 231 S N 0.065 115.674 115.700 -0.152 0.000 3.749 231 S HA -0.104 4.366 4.470 -0.000 0.000 0.348 231 S C -0.032 174.542 174.600 -0.042 0.000 1.045 231 S CA 0.332 58.491 58.200 -0.068 0.000 1.051 231 S CB -1.783 61.400 63.200 -0.029 0.000 0.898 231 S HN 0.596 nan 8.310 nan 0.000 0.472 232 V N 2.142 121.998 119.914 -0.096 0.000 2.370 232 V HA 0.394 4.514 4.120 -0.000 0.000 0.283 232 V C -1.949 174.148 176.094 0.004 0.000 1.023 232 V CA -1.948 60.337 62.300 -0.024 0.000 0.857 232 V CB 1.576 33.332 31.823 -0.111 0.000 0.985 232 V HN 0.071 nan 8.190 nan 0.000 0.443 233 P HA 0.117 nan 4.420 nan 0.000 0.267 233 P C -0.694 176.639 177.300 0.055 0.000 1.200 233 P CA 0.095 63.213 63.100 0.030 0.000 0.772 233 P CB 0.544 32.246 31.700 0.003 0.000 0.855 234 V N 4.549 124.477 119.914 0.024 0.000 2.459 234 V HA 0.331 4.451 4.120 -0.000 0.000 0.295 234 V C 0.184 176.315 176.094 0.060 0.000 1.029 234 V CA -0.479 61.848 62.300 0.045 0.000 0.874 234 V CB 1.550 33.375 31.823 0.003 0.000 0.985 234 V HN 0.366 nan 8.190 nan 0.000 0.438 235 I N 7.232 127.856 120.570 0.090 0.000 2.359 235 I HA 0.361 4.531 4.170 -0.000 0.000 0.284 235 I C -2.362 173.797 176.117 0.071 0.000 1.018 235 I CA -2.210 59.144 61.300 0.089 0.000 1.173 235 I CB 1.750 39.832 38.000 0.136 0.000 1.326 235 I HN 0.393 nan 8.210 nan 0.000 0.462 236 P HA 0.164 nan 4.420 nan 0.000 0.279 236 P C 0.157 177.440 177.300 -0.028 0.000 1.239 236 P CA -0.031 63.080 63.100 0.018 0.000 0.789 236 P CB 0.777 32.512 31.700 0.059 0.000 0.933 237 T N 0.855 115.373 114.554 -0.059 0.000 2.726 237 T HA 0.189 4.539 4.350 -0.000 0.000 0.294 237 T C 0.839 175.490 174.700 -0.083 0.000 1.013 237 T CA -0.667 61.367 62.100 -0.111 0.000 0.996 237 T CB 0.129 68.856 68.868 -0.235 0.000 1.016 237 T HN 0.241 nan 8.240 nan 0.000 0.529 241 W N 2.287 123.563 121.300 -0.040 0.000 2.443 241 W HA 0.411 5.071 4.660 -0.000 0.000 0.335 241 W C 1.190 177.699 176.519 -0.017 0.000 1.382 241 W CA 1.499 58.795 57.345 -0.083 0.000 1.305 241 W CB 0.002 29.318 29.460 -0.240 0.000 1.283 241 W HN 0.993 nan 8.180 nan 0.000 0.567 242 G N 2.740 111.628 108.800 0.147 0.000 2.218 242 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.216 242 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.216 242 G C 1.130 176.036 174.900 0.009 0.000 0.994 242 G CA 0.235 45.311 45.100 -0.041 0.000 0.637 242 G HN 1.225 nan 8.290 nan 0.000 0.505 243 C N -0.036 119.296 119.300 0.054 0.000 2.456 243 C HA 0.703 5.163 4.460 -0.000 0.000 0.279 243 C C 1.177 176.180 174.990 0.023 0.000 1.427 243 C CA 0.214 59.253 59.018 0.036 0.000 1.778 243 C CB -0.834 26.933 27.740 0.045 0.000 1.842 243 C HN 0.645 nan 8.230 nan 0.000 0.531 244 I N 1.106 121.692 120.570 0.026 0.000 2.582 244 I HA 0.506 4.676 4.170 -0.000 0.000 0.292 244 I C -2.604 173.535 176.117 0.037 0.000 1.066 244 I CA -2.625 58.673 61.300 -0.002 0.000 1.053 244 I CB 2.271 40.220 38.000 -0.084 0.000 1.241 244 I HN -0.142 nan 8.210 nan 0.000 0.421 245 P HA 0.153 nan 4.420 nan 0.000 0.269 245 P C -0.426 176.930 177.300 0.093 0.000 1.209 245 P CA -0.010 63.157 63.100 0.111 0.000 0.776 245 P CB 0.617 32.450 31.700 0.220 0.000 0.876 246 D N 0.898 121.253 120.400 -0.075 0.000 2.218 246 D HA -0.150 4.490 4.640 -0.000 0.000 0.204 246 D C 1.074 177.367 176.300 -0.013 0.000 0.976 246 D CA 1.272 55.214 54.000 -0.097 0.000 0.853 246 D CB -0.252 40.350 40.800 -0.330 0.000 0.939 246 D HN 0.521 nan 8.370 nan 0.000 0.481 247 D N -1.097 119.395 120.400 0.153 0.000 2.340 247 D HA -0.125 4.515 4.640 -0.000 0.000 0.220 247 D C 0.701 177.052 176.300 0.084 0.000 1.039 247 D CA -0.129 53.940 54.000 0.115 0.000 0.866 247 D CB -0.639 40.261 40.800 0.167 0.000 0.913 247 D HN 0.200 nan 8.370 nan 0.000 0.523 248 H N 1.880 120.968 119.070 0.030 0.000 2.815 248 H HA -0.015 4.541 4.556 -0.000 0.000 0.350 248 H C 1.181 176.495 175.328 -0.024 0.000 1.080 248 H CA 0.814 56.868 56.048 0.010 0.000 1.433 248 H CB 1.250 31.023 29.762 0.017 0.000 1.432 248 H HN 0.249 nan 8.280 nan 0.000 0.592 249 E N 3.957 124.178 120.200 0.036 0.000 2.204 249 E HA -0.048 4.302 4.350 -0.000 0.000 0.195 249 E C 0.391 177.059 176.600 0.114 0.000 0.990 249 E CA 0.651 57.076 56.400 0.041 0.000 0.821 249 E CB 0.334 30.009 29.700 -0.041 0.000 0.750 249 E HN 0.362 nan 8.360 nan 0.000 0.477 256 G N 1.615 110.253 108.800 -0.272 0.000 2.350 256 G HA2 0.238 4.198 3.960 -0.000 0.000 0.282 256 G HA3 0.238 4.198 3.960 -0.000 0.000 0.282 256 G C -0.406 174.411 174.900 -0.140 0.000 1.314 256 G CA -0.195 44.780 45.100 -0.208 0.000 0.915 256 G HN 0.791 nan 8.290 nan 0.000 0.499 257 L N -0.334 120.829 121.223 -0.099 0.000 2.416 257 L HA 0.291 4.631 4.340 -0.000 0.000 0.216 257 L C 2.395 179.224 176.870 -0.068 0.000 1.098 257 L CA 1.059 55.858 54.840 -0.067 0.000 0.840 257 L CB 0.124 42.159 42.059 -0.039 0.000 0.981 257 L HN 0.634 nan 8.230 nan 0.000 0.462 258 Q N -1.020 118.725 119.800 -0.092 0.000 2.361 258 Q HA 0.049 4.389 4.340 -0.000 0.000 0.182 258 Q C 0.798 176.704 176.000 -0.157 0.000 0.650 258 Q CA 0.458 56.207 55.803 -0.091 0.000 0.842 258 Q CB 0.741 29.443 28.738 -0.059 0.000 1.211 258 Q HN 0.289 nan 8.270 nan 0.000 0.502 259 T N -0.165 114.276 114.554 -0.188 0.000 4.313 259 T HA 0.711 5.061 4.350 -0.000 0.000 0.272 259 T C -0.236 174.195 174.700 -0.449 0.000 1.298 259 T CA -0.027 61.892 62.100 -0.302 0.000 1.124 259 T CB 0.028 68.739 68.868 -0.262 0.000 1.352 259 T HN 0.308 nan 8.240 nan 0.000 1.013 260 A N 2.060 124.591 122.820 -0.480 0.000 2.593 260 A HA 0.729 5.049 4.320 -0.000 0.000 0.290 260 A C -0.963 176.219 177.584 -0.670 0.000 1.126 260 A CA -1.057 50.637 52.037 -0.571 0.000 0.695 260 A CB 1.153 19.945 19.000 -0.347 0.000 1.290 260 A HN 0.682 nan 8.150 nan 0.000 0.414 261 H N 0.028 118.823 119.070 -0.457 0.000 2.567 261 H HA 0.424 4.980 4.556 -0.000 0.000 0.345 261 H C 0.725 175.748 175.328 -0.509 0.000 1.169 261 H CA -0.509 55.153 56.048 -0.642 0.000 1.227 261 H CB 1.555 30.511 29.762 -1.343 0.000 1.607 261 H HN 0.750 nan 8.280 nan 0.000 0.534 262 R N 0.593 120.934 120.500 -0.264 0.000 2.075 262 R HA -0.144 4.196 4.340 -0.000 0.000 0.232 262 R C 1.843 178.096 176.300 -0.079 0.000 1.126 262 R CA 1.824 57.853 56.100 -0.119 0.000 0.963 262 R CB -0.285 30.008 30.300 -0.011 0.000 0.858 262 R HN 0.620 nan 8.270 nan 0.000 0.435 263 Y N -1.181 119.129 120.300 0.017 0.000 2.242 263 Y HA 0.146 4.696 4.550 -0.000 0.000 0.291 263 Y C 2.316 178.205 175.900 -0.018 0.000 1.137 263 Y CA 0.619 58.707 58.100 -0.020 0.000 1.181 263 Y CB -1.228 37.196 38.460 -0.059 0.000 0.989 263 Y HN -0.072 nan 8.280 nan 0.000 0.527 264 G N 1.044 109.775 108.800 -0.116 0.000 2.459 264 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.217 264 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.217 264 G C 1.381 176.256 174.900 -0.042 0.000 1.183 264 G CA 1.326 46.401 45.100 -0.042 0.000 0.776 264 G HN 0.390 nan 8.290 nan 0.000 0.552 265 N N 1.135 119.783 118.700 -0.088 0.000 2.120 265 N HA -0.037 4.703 4.740 -0.000 0.000 0.188 265 N C 2.383 177.880 175.510 -0.022 0.000 1.024 265 N CA 1.361 54.371 53.050 -0.067 0.000 0.852 265 N CB -0.478 37.960 38.487 -0.081 0.000 1.003 265 N HN 0.334 nan 8.380 nan 0.000 0.424 266 A N -0.225 122.596 122.820 0.002 0.000 1.930 266 A HA -0.071 4.249 4.320 -0.000 0.000 0.217 266 A C 2.330 179.950 177.584 0.059 0.000 1.175 266 A CA 1.743 53.797 52.037 0.029 0.000 0.627 266 A CB -0.999 18.024 19.000 0.039 0.000 0.815 266 A HN 0.264 nan 8.150 nan 0.000 0.443 267 T N 0.085 114.676 114.554 0.061 0.000 2.708 267 T HA -0.136 4.214 4.350 -0.000 0.000 0.266 267 T C 1.859 176.666 174.700 0.178 0.000 1.037 267 T CA 1.589 63.746 62.100 0.095 0.000 1.146 267 T CB -0.354 68.531 68.868 0.028 0.000 0.865 267 T HN 0.350 nan 8.240 nan 0.000 0.435 268 L N 0.603 121.876 121.223 0.083 0.000 2.017 268 L HA 0.030 4.370 4.340 -0.000 0.000 0.208 268 L C 2.170 179.031 176.870 -0.013 0.000 1.073 268 L CA 1.434 56.289 54.840 0.026 0.000 0.745 268 L CB -0.337 41.687 42.059 -0.059 0.000 0.894 268 L HN 0.244 nan 8.230 nan 0.000 0.432 269 L N -0.729 120.489 121.223 -0.008 0.000 2.265 269 L HA -0.145 4.195 4.340 -0.000 0.000 0.215 269 L C 2.468 179.351 176.870 0.022 0.000 1.117 269 L CA 0.869 55.699 54.840 -0.016 0.000 0.782 269 L CB -0.701 41.352 42.059 -0.010 0.000 0.914 269 L HN 0.363 nan 8.230 nan 0.000 0.441 270 A N -0.570 122.311 122.820 0.102 0.000 2.081 270 A HA 0.022 4.342 4.320 -0.000 0.000 0.214 270 A C 1.458 179.088 177.584 0.077 0.000 1.158 270 A CA 0.496 52.626 52.037 0.154 0.000 0.724 270 A CB -0.223 18.966 19.000 0.315 0.000 0.826 270 A HN 0.422 nan 8.150 nan 0.000 0.463 271 S N 1.064 116.811 115.700 0.079 0.000 2.593 271 S HA 0.370 4.840 4.470 -0.000 0.000 0.269 271 S C -0.235 174.259 174.600 -0.176 0.000 1.334 271 S CA -0.101 58.028 58.200 -0.118 0.000 1.015 271 S CB 0.680 63.911 63.200 0.052 0.000 0.912 271 S HN 0.499 nan 8.310 nan 0.000 0.541 275 F N 3.978 124.030 119.950 0.170 0.000 2.351 275 F HA 0.691 5.218 4.527 -0.000 0.000 0.362 275 F C 1.022 176.926 175.800 0.173 0.000 1.131 275 F CA -0.151 57.953 58.000 0.174 0.000 1.187 275 F CB 0.914 40.023 39.000 0.181 0.000 1.434 275 F HN 0.607 nan 8.300 nan 0.000 0.553 276 G N 7.199 116.069 108.800 0.117 0.000 2.351 276 G HA2 0.465 4.425 3.960 -0.000 0.000 0.287 276 G HA3 0.465 4.425 3.960 -0.000 0.000 0.287 276 G C -0.630 174.299 174.900 0.048 0.000 1.159 276 G CA -0.427 44.714 45.100 0.068 0.000 0.929 276 G HN 0.612 nan 8.290 nan 0.000 0.435 277 I N 2.324 122.933 120.570 0.066 0.000 2.411 277 I HA 0.394 4.564 4.170 -0.000 0.000 0.284 277 I C 1.033 177.155 176.117 0.010 0.000 1.012 277 I CA -0.474 60.862 61.300 0.061 0.000 1.119 277 I CB 1.758 39.833 38.000 0.123 0.000 1.261 277 I HN 0.764 nan 8.210 nan 0.000 0.448 278 G N 4.188 112.987 108.800 -0.002 0.000 2.153 278 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.252 278 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.252 278 G C -0.085 174.776 174.900 -0.066 0.000 0.994 278 G CA 0.282 45.367 45.100 -0.026 0.000 0.698 278 G HN 0.780 nan 8.290 nan 0.000 0.521 279 N N -0.322 118.304 118.700 -0.124 0.000 2.443 279 N HA 0.669 5.409 4.740 -0.000 0.000 0.293 279 N C 0.419 175.760 175.510 -0.281 0.000 1.159 279 N CA -0.606 52.269 53.050 -0.292 0.000 0.904 279 N CB 1.132 39.301 38.487 -0.530 0.000 1.214 279 N HN 0.676 nan 8.380 nan 0.000 0.513 280 R N -0.757 119.551 120.500 -0.320 0.000 2.810 280 R HA 0.514 4.854 4.340 -0.000 0.000 0.245 280 R C -0.842 175.138 176.300 -0.534 0.000 1.168 280 R CA -0.711 55.230 56.100 -0.265 0.000 1.096 280 R CB 0.408 30.666 30.300 -0.070 0.000 1.259 280 R HN 0.406 nan 8.270 nan 0.000 0.518 281 F N 0.774 120.593 119.950 -0.219 0.000 2.334 281 F HA 0.388 4.915 4.527 -0.000 0.000 0.343 281 F C 0.364 176.041 175.800 -0.205 0.000 1.136 281 F CA -0.611 57.223 58.000 -0.277 0.000 1.237 281 F CB 1.176 39.987 39.000 -0.315 0.000 1.525 281 F HN 0.703 nan 8.300 nan 0.000 0.528 282 A N 1.893 124.662 122.820 -0.085 0.000 2.531 282 A HA -0.007 4.313 4.320 -0.000 0.000 0.236 282 A C 1.850 179.430 177.584 -0.006 0.000 1.062 282 A CA 0.144 52.157 52.037 -0.041 0.000 0.760 282 A CB 0.090 19.052 19.000 -0.064 0.000 0.995 282 A HN 0.824 nan 8.150 nan 0.000 0.501 283 N N 2.002 120.696 118.700 -0.009 0.000 2.089 283 N HA -0.263 4.477 4.740 -0.000 0.000 0.198 283 N C 1.314 176.819 175.510 -0.009 0.000 1.017 283 N CA 2.131 55.175 53.050 -0.010 0.000 0.880 283 N CB -0.098 38.387 38.487 -0.003 0.000 1.042 283 N HN 0.772 nan 8.380 nan 0.000 0.446 284 R N -1.501 118.998 120.500 -0.002 0.000 2.310 284 R HA -0.021 4.319 4.340 -0.000 0.000 0.202 284 R C 1.572 177.872 176.300 -0.000 0.000 0.933 284 R CA 0.260 56.354 56.100 -0.009 0.000 1.054 284 R CB -0.183 30.107 30.300 -0.017 0.000 0.985 284 R HN 0.492 nan 8.270 nan 0.000 0.489 285 H N 0.552 119.569 119.070 -0.087 0.000 2.384 285 H HA -0.014 4.542 4.556 0.000 0.000 0.300 285 H C 2.101 177.387 175.328 -0.070 0.000 1.057 285 H CA 2.034 58.031 56.048 -0.086 0.000 1.370 285 H CB 0.416 30.110 29.762 -0.114 0.000 1.417 285 H HN 0.110 nan 8.280 nan 0.000 0.527 286 T N -3.211 111.284 114.554 -0.099 0.000 3.033 286 T HA 0.347 4.697 4.350 -0.000 0.000 0.248 286 T C 1.513 176.203 174.700 -0.016 0.000 1.040 286 T CA 0.597 62.571 62.100 -0.210 0.000 1.133 286 T CB -0.288 68.332 68.868 -0.414 0.000 0.895 286 T HN 0.633 nan 8.240 nan 0.000 0.465 287 G N 1.378 110.162 108.800 -0.027 0.000 2.528 287 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.262 287 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.262 287 G C -0.057 174.842 174.900 -0.002 0.000 1.200 287 G CA -0.158 44.939 45.100 -0.005 0.000 0.951 287 G HN 0.804 nan 8.290 nan 0.000 0.566 288 S N 0.245 115.952 115.700 0.012 0.000 2.515 288 S HA 0.272 4.742 4.470 -0.000 0.000 0.285 288 S C 1.714 176.331 174.600 0.028 0.000 1.265 288 S CA 0.094 58.301 58.200 0.012 0.000 1.079 288 S CB 1.443 64.650 63.200 0.011 0.000 0.877 288 S HN 1.054 nan 8.310 nan 0.000 0.493 289 V N 4.080 123.996 119.914 0.004 0.000 2.380 289 V HA -0.226 3.894 4.120 -0.000 0.000 0.251 289 V C 2.041 178.157 176.094 0.037 0.000 1.063 289 V CA 1.953 64.256 62.300 0.004 0.000 1.055 289 V CB -0.718 31.080 31.823 -0.042 0.000 0.657 289 V HN 0.742 nan 8.190 nan 0.000 0.455 290 E N 0.012 120.223 120.200 0.018 0.000 2.085 290 E HA -0.211 4.139 4.350 -0.000 0.000 0.194 290 E C 2.241 178.855 176.600 0.022 0.000 0.994 290 E CA 1.262 57.669 56.400 0.011 0.000 0.801 290 E CB -0.250 29.452 29.700 0.002 0.000 0.743 290 E HN 0.546 nan 8.360 nan 0.000 0.453 291 K N -0.429 119.993 120.400 0.036 0.000 2.062 291 K HA -0.109 4.211 4.320 -0.000 0.000 0.205 291 K C 2.134 178.767 176.600 0.054 0.000 1.051 291 K CA 1.006 57.313 56.287 0.034 0.000 0.941 291 K CB -0.231 32.288 32.500 0.031 0.000 0.719 291 K HN 0.175 nan 8.250 nan 0.000 0.440 292 Y N 1.869 122.144 120.300 -0.041 0.000 2.274 292 Y HA -0.193 4.357 4.550 0.000 0.000 0.290 292 Y C 1.821 177.691 175.900 -0.051 0.000 1.145 292 Y CA 1.477 59.554 58.100 -0.040 0.000 1.203 292 Y CB 0.133 38.573 38.460 -0.034 0.000 0.984 292 Y HN -0.067 nan 8.280 nan 0.000 0.533 293 T N -0.208 114.375 114.554 0.049 0.000 3.044 293 T HA 0.005 4.355 4.350 -0.000 0.000 0.250 293 T C 0.259 174.925 174.700 -0.056 0.000 1.081 293 T CA -0.210 61.874 62.100 -0.027 0.000 1.040 293 T CB -0.130 68.734 68.868 -0.007 0.000 0.962 293 T HN 0.248 nan 8.240 nan 0.000 0.506 294 E N 1.490 121.663 120.200 -0.045 0.000 2.585 294 E HA 0.202 4.552 4.350 -0.000 0.000 0.252 294 E C 0.956 177.523 176.600 -0.055 0.000 0.981 294 E CA 0.443 56.818 56.400 -0.042 0.000 0.943 294 E CB -0.118 29.563 29.700 -0.032 0.000 0.923 294 E HN 0.462 nan 8.360 nan 0.000 0.486 295 G N 4.384 113.155 108.800 -0.047 0.000 2.273 295 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.280 295 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.280 295 G C 0.077 174.939 174.900 -0.063 0.000 1.047 295 G CA 0.796 45.865 45.100 -0.050 0.000 0.869 295 G HN 0.570 nan 8.290 nan 0.000 0.502 296 R N -0.703 119.759 120.500 -0.063 0.000 2.548 296 R HA 0.434 4.774 4.340 -0.000 0.000 0.280 296 R C -0.150 176.120 176.300 -0.051 0.000 1.061 296 R CA -0.873 55.184 56.100 -0.071 0.000 0.915 296 R CB 1.152 31.389 30.300 -0.106 0.000 1.210 296 R HN 0.178 nan 8.270 nan 0.000 0.442 297 K N 3.421 123.801 120.400 -0.033 0.000 2.118 297 K HA 0.433 4.753 4.320 -0.000 0.000 0.264 297 K C -0.333 176.270 176.600 0.006 0.000 1.000 297 K CA -0.562 55.718 56.287 -0.011 0.000 0.929 297 K CB 0.937 33.441 32.500 0.006 0.000 1.021 297 K HN 0.308 nan 8.250 nan 0.000 0.463 298 I N 2.882 123.453 120.570 0.002 0.000 2.447 298 I HA 0.256 4.426 4.170 -0.000 0.000 0.287 298 I C -0.418 175.710 176.117 0.018 0.000 1.023 298 I CA -0.806 60.502 61.300 0.014 0.000 1.083 298 I CB 1.500 39.462 38.000 -0.064 0.000 1.245 298 I HN 0.248 nan 8.210 nan 0.000 0.434 299 V N 5.994 125.910 119.914 0.003 0.000 2.581 299 V HA 0.442 4.562 4.120 -0.000 0.000 0.303 299 V C -0.428 175.657 176.094 -0.016 0.000 1.041 299 V CA -0.576 61.651 62.300 -0.122 0.000 0.907 299 V CB 2.161 33.701 31.823 -0.472 0.000 0.994 299 V HN 0.719 nan 8.190 nan 0.000 0.442 300 H N 4.617 123.623 119.070 -0.107 0.000 2.924 300 H HA 0.579 5.135 4.556 0.000 0.000 0.333 300 H C -1.395 173.882 175.328 -0.085 0.000 0.979 300 H CA -0.787 55.253 56.048 -0.013 0.000 1.326 300 H CB 1.382 31.238 29.762 0.157 0.000 1.600 300 H HN 0.566 nan 8.280 nan 0.000 0.520 301 I N 5.250 125.818 120.570 -0.004 0.000 2.355 301 I HA 0.225 4.395 4.170 -0.000 0.000 0.288 301 I C -0.527 175.498 176.117 -0.153 0.000 0.999 301 I CA -0.298 60.924 61.300 -0.130 0.000 1.163 301 I CB 1.462 39.404 38.000 -0.096 0.000 1.316 301 I HN 0.545 nan 8.210 nan 0.000 0.454 302 D N 5.048 125.294 120.400 -0.256 0.000 2.661 302 D HA 0.291 4.931 4.640 -0.000 0.000 0.228 302 D C 0.342 176.558 176.300 -0.141 0.000 1.183 302 D CA -0.543 53.336 54.000 -0.202 0.000 0.844 302 D CB 2.992 43.603 40.800 -0.314 0.000 1.555 302 D HN 0.497 nan 8.370 nan 0.000 0.453 303 I N 1.194 121.706 120.570 -0.098 0.000 2.676 303 I HA -0.093 4.077 4.170 -0.000 0.000 0.259 303 I C 0.299 176.377 176.117 -0.065 0.000 1.194 303 I CA 0.829 62.076 61.300 -0.089 0.000 1.473 303 I CB 0.361 38.309 38.000 -0.086 0.000 1.096 303 I HN 0.245 nan 8.210 nan 0.000 0.443 304 E N 0.702 120.868 120.200 -0.057 0.000 2.081 304 E HA 0.222 4.572 4.350 -0.000 0.000 0.276 304 E C -1.828 174.749 176.600 -0.038 0.000 0.950 304 E CA -2.415 53.970 56.400 -0.025 0.000 0.776 304 E CB 1.324 31.017 29.700 -0.012 0.000 1.094 304 E HN -0.010 nan 8.360 nan 0.000 0.402 305 P HA -0.206 nan 4.420 nan 0.000 0.216 305 P C 0.868 178.159 177.300 -0.015 0.000 1.157 305 P CA 1.907 64.994 63.100 -0.021 0.000 0.880 305 P CB 0.038 31.741 31.700 0.005 0.000 0.791 306 T N -4.117 110.438 114.554 0.003 0.000 3.160 306 T HA -0.010 4.340 4.350 -0.000 0.000 0.257 306 T C 1.480 176.195 174.700 0.025 0.000 1.147 306 T CA 0.457 62.565 62.100 0.014 0.000 1.064 306 T CB -0.556 68.323 68.868 0.019 0.000 0.949 306 T HN 0.035 nan 8.240 nan 0.000 0.526 307 Q N 0.446 120.257 119.800 0.019 0.000 2.424 307 Q HA 0.344 4.684 4.340 -0.000 0.000 0.204 307 Q C 0.575 176.647 176.000 0.121 0.000 0.933 307 Q CA 0.258 56.097 55.803 0.060 0.000 0.929 307 Q CB 0.264 29.028 28.738 0.044 0.000 1.037 307 Q HN 0.641 nan 8.270 nan 0.000 0.511 308 I N 0.577 121.163 120.570 0.026 0.000 2.301 308 I HA 0.258 4.428 4.170 -0.000 0.000 0.292 308 I C 0.839 177.013 176.117 0.095 0.000 1.046 308 I CA 0.031 61.361 61.300 0.050 0.000 1.282 308 I CB 0.865 38.799 38.000 -0.110 0.000 1.409 308 I HN 0.236 nan 8.210 nan 0.000 0.484 309 G N 4.945 113.837 108.800 0.153 0.000 2.176 309 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.232 309 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.232 309 G C 1.126 176.064 174.900 0.063 0.000 0.986 309 G CA 0.232 45.381 45.100 0.081 0.000 0.643 309 G HN 0.646 nan 8.290 nan 0.000 0.522 310 R N -0.339 120.212 120.500 0.086 0.000 2.090 310 R HA 0.265 4.605 4.340 -0.000 0.000 0.228 310 R C 2.257 178.585 176.300 0.046 0.000 1.110 310 R CA 2.067 58.203 56.100 0.062 0.000 0.973 310 R CB -0.050 30.293 30.300 0.071 0.000 0.869 310 R HN 0.407 nan 8.270 nan 0.000 0.440 311 V N 0.813 120.758 119.914 0.052 0.000 2.908 311 V HA 0.175 4.295 4.120 -0.000 0.000 0.240 311 V C 0.225 176.302 176.094 -0.027 0.000 1.117 311 V CA 0.424 62.735 62.300 0.017 0.000 1.133 311 V CB 0.754 32.597 31.823 0.034 0.000 0.857 311 V HN 0.238 nan 8.190 nan 0.000 0.478 312 L N -1.999 119.193 121.223 -0.052 0.000 2.415 312 L HA 0.608 4.948 4.340 -0.000 0.000 0.256 312 L C -1.008 175.826 176.870 -0.060 0.000 1.010 312 L CA -0.516 54.266 54.840 -0.096 0.000 0.826 312 L CB 0.822 42.756 42.059 -0.209 0.000 1.405 312 L HN 0.047 nan 8.230 nan 0.000 0.410 313 C N 4.390 123.659 119.300 -0.051 0.000 2.281 313 C HA 0.678 5.138 4.460 -0.000 0.000 0.336 313 C C -1.661 173.310 174.990 -0.032 0.000 1.217 313 C CA -0.777 58.228 59.018 -0.021 0.000 1.730 313 C CB -0.110 27.621 27.740 -0.014 0.000 2.338 313 C HN 0.755 nan 8.230 nan 0.000 0.521 314 P HA 0.273 nan 4.420 nan 0.000 0.276 314 P C 0.001 177.301 177.300 0.001 0.000 1.244 314 P CA 0.101 63.203 63.100 0.004 0.000 0.801 314 P CB 1.025 32.777 31.700 0.087 0.000 1.006 315 D N 0.003 120.400 120.400 -0.005 0.000 2.178 315 D HA -0.119 4.521 4.640 -0.000 0.000 0.202 315 D C 1.316 177.618 176.300 0.002 0.000 0.974 315 D CA 1.149 55.148 54.000 -0.002 0.000 0.841 315 D CB 0.040 40.840 40.800 -0.000 0.000 0.953 315 D HN 0.156 nan 8.370 nan 0.000 0.478 316 L N -1.014 120.210 121.223 0.001 0.000 3.087 316 L HA 0.418 4.758 4.340 -0.000 0.000 0.169 316 L C 0.085 176.949 176.870 -0.009 0.000 1.276 316 L CA 1.402 56.237 54.840 -0.007 0.000 0.865 316 L CB -0.342 41.704 42.059 -0.023 0.000 1.368 316 L HN 0.118 nan 8.230 nan 0.000 0.548 317 G N 1.528 110.320 108.800 -0.013 0.000 3.445 317 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.634 317 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.634 317 G C -0.775 174.088 174.900 -0.063 0.000 0.909 317 G CA 0.188 45.272 45.100 -0.027 0.000 0.740 317 G HN 0.407 nan 8.290 nan 0.000 0.441 318 I N 1.855 122.363 120.570 -0.102 0.000 2.533 318 I HA 0.379 4.549 4.170 -0.000 0.000 0.290 318 I C 0.397 176.446 176.117 -0.113 0.000 1.056 318 I CA -1.299 59.947 61.300 -0.089 0.000 1.057 318 I CB 2.377 40.330 38.000 -0.078 0.000 1.240 318 I HN 0.307 nan 8.210 nan 0.000 0.423 319 V N 4.829 124.693 119.914 -0.083 0.000 2.389 319 V HA 0.504 4.623 4.120 -0.000 0.000 0.264 319 V C 0.094 176.143 176.094 -0.074 0.000 1.049 319 V CA 0.144 62.395 62.300 -0.082 0.000 0.932 319 V CB 0.788 32.583 31.823 -0.047 0.000 1.011 319 V HN 0.787 nan 8.190 nan 0.000 0.475 320 S N 3.128 118.774 115.700 -0.091 0.000 2.558 320 S HA 0.281 4.751 4.470 -0.000 0.000 0.277 320 S C -1.147 173.396 174.600 -0.095 0.000 1.143 320 S CA -0.870 57.277 58.200 -0.088 0.000 0.865 320 S CB 1.652 64.809 63.200 -0.073 0.000 1.102 320 S HN 0.900 nan 8.310 nan 0.000 0.454 321 D N 2.363 122.700 120.400 -0.105 0.000 2.423 321 D HA 0.478 5.118 4.640 -0.000 0.000 0.238 321 D C 1.265 177.524 176.300 -0.068 0.000 1.142 321 D CA 0.674 54.618 54.000 -0.093 0.000 0.884 321 D CB 1.101 41.839 40.800 -0.103 0.000 1.199 321 D HN 0.640 nan 8.370 nan 0.000 0.438 322 A N 3.813 126.601 122.820 -0.054 0.000 1.968 322 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 322 A C 1.977 179.539 177.584 -0.037 0.000 1.169 322 A CA 1.179 53.191 52.037 -0.041 0.000 0.638 322 A CB -0.399 18.585 19.000 -0.026 0.000 0.812 322 A HN 0.684 nan 8.150 nan 0.000 0.446 323 K N -0.273 120.106 120.400 -0.034 0.000 2.062 323 K HA 0.011 4.331 4.320 -0.000 0.000 0.205 323 K C 2.183 178.763 176.600 -0.032 0.000 1.051 323 K CA 1.005 57.276 56.287 -0.026 0.000 0.941 323 K CB -0.273 32.215 32.500 -0.020 0.000 0.719 323 K HN 0.350 nan 8.250 nan 0.000 0.440 324 A N 1.040 123.836 122.820 -0.040 0.000 1.902 324 A HA -0.115 4.205 4.320 -0.000 0.000 0.217 324 A C 2.293 179.850 177.584 -0.044 0.000 1.181 324 A CA 1.906 53.919 52.037 -0.040 0.000 0.623 324 A CB -0.778 18.194 19.000 -0.047 0.000 0.818 324 A HN 0.453 nan 8.150 nan 0.000 0.443 325 A N -0.529 122.258 122.820 -0.054 0.000 1.898 325 A HA 0.019 4.339 4.320 -0.000 0.000 0.216 325 A C 2.154 179.682 177.584 -0.094 0.000 1.181 325 A CA 1.423 53.421 52.037 -0.065 0.000 0.620 325 A CB -0.534 18.428 19.000 -0.064 0.000 0.819 325 A HN 0.455 nan 8.150 nan 0.000 0.442 326 L N -0.766 120.402 121.223 -0.092 0.000 2.156 326 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 326 L C 2.718 179.542 176.870 -0.077 0.000 1.095 326 L CA 1.479 56.245 54.840 -0.123 0.000 0.770 326 L CB -0.562 41.457 42.059 -0.067 0.000 0.914 326 L HN 0.345 nan 8.230 nan 0.000 0.439 327 T N 0.022 114.551 114.554 -0.042 0.000 2.708 327 T HA -0.167 4.183 4.350 -0.000 0.000 0.266 327 T C 1.932 176.622 174.700 -0.017 0.000 1.037 327 T CA 0.999 63.089 62.100 -0.017 0.000 1.146 327 T CB -0.077 68.784 68.868 -0.012 0.000 0.865 327 T HN 0.084 nan 8.240 nan 0.000 0.435 328 L N 0.534 121.738 121.223 -0.031 0.000 2.017 328 L HA 0.015 4.355 4.340 -0.000 0.000 0.208 328 L C 2.474 179.326 176.870 -0.030 0.000 1.073 328 L CA 1.538 56.364 54.840 -0.023 0.000 0.745 328 L CB -1.190 40.855 42.059 -0.024 0.000 0.894 328 L HN 0.332 nan 8.230 nan 0.000 0.432 329 L N -1.242 119.918 121.223 -0.105 0.000 2.042 329 L HA -0.233 4.107 4.340 -0.000 0.000 0.210 329 L C 2.562 179.450 176.870 0.030 0.000 1.076 329 L CA 0.788 55.513 54.840 -0.192 0.000 0.749 329 L CB -0.545 41.077 42.059 -0.728 0.000 0.893 329 L HN 0.040 nan 8.230 nan 0.000 0.432 330 V N -0.316 119.634 119.914 0.059 0.000 2.295 330 V HA -0.285 3.835 4.120 -0.000 0.000 0.246 330 V C 2.527 178.681 176.094 0.101 0.000 1.049 330 V CA 1.993 64.383 62.300 0.150 0.000 1.024 330 V CB -0.420 31.464 31.823 0.101 0.000 0.648 330 V HN 0.452 nan 8.190 nan 0.000 0.447 331 E N 0.392 120.627 120.200 0.058 0.000 2.051 331 E HA -0.183 4.167 4.350 -0.000 0.000 0.192 331 E C 2.028 178.660 176.600 0.052 0.000 0.991 331 E CA 1.832 58.260 56.400 0.045 0.000 0.799 331 E CB -0.438 29.279 29.700 0.028 0.000 0.748 331 E HN 0.337 nan 8.360 nan 0.000 0.449 332 V N 0.768 120.717 119.914 0.059 0.000 2.358 332 V HA -0.209 3.911 4.120 -0.000 0.000 0.246 332 V C 2.373 178.517 176.094 0.084 0.000 1.047 332 V CA 1.686 64.025 62.300 0.065 0.000 1.035 332 V CB -0.928 30.934 31.823 0.065 0.000 0.658 332 V HN 0.459 nan 8.190 nan 0.000 0.452 333 A N -0.696 122.201 122.820 0.128 0.000 1.908 333 A HA -0.314 4.006 4.320 -0.000 0.000 0.218 333 A C 2.164 179.785 177.584 0.061 0.000 1.181 333 A CA 2.074 54.180 52.037 0.115 0.000 0.627 333 A CB -0.511 18.596 19.000 0.177 0.000 0.818 333 A HN 0.616 nan 8.150 nan 0.000 0.445 334 Q N 0.021 119.858 119.800 0.061 0.000 2.124 334 Q HA -0.109 4.231 4.340 -0.000 0.000 0.202 334 Q C 0.640 176.658 176.000 0.031 0.000 0.977 334 Q CA 1.002 56.828 55.803 0.040 0.000 0.850 334 Q CB -0.077 28.685 28.738 0.040 0.000 0.901 334 Q HN 0.770 nan 8.270 nan 0.000 0.429 338 K N 0.887 121.293 120.400 0.011 0.000 2.097 338 K HA 0.133 4.453 4.320 -0.000 0.000 0.205 338 K C 0.971 177.576 176.600 0.009 0.000 1.050 338 K CA 0.936 57.229 56.287 0.010 0.000 0.938 338 K CB 0.116 32.623 32.500 0.012 0.000 0.718 338 K HN 0.236 nan 8.250 nan 0.000 0.442 339 A N 0.454 123.280 122.820 0.010 0.000 2.251 339 A HA 0.382 4.702 4.320 -0.000 0.000 0.278 339 A C 0.875 178.463 177.584 0.006 0.000 1.206 339 A CA 0.148 52.190 52.037 0.009 0.000 0.822 339 A CB 0.127 19.133 19.000 0.011 0.000 1.187 339 A HN 0.314 nan 8.150 nan 0.000 0.504 340 G N -1.076 107.727 108.800 0.005 0.000 3.949 340 G HA2 0.369 4.329 3.960 -0.000 0.000 0.295 340 G HA3 0.369 4.329 3.960 -0.000 0.000 0.295 340 G C 0.652 175.553 174.900 0.003 0.000 1.286 340 G CA -0.297 44.805 45.100 0.003 0.000 1.171 340 G HN 0.628 nan 8.290 nan 0.000 0.586 341 R N -0.637 119.865 120.500 0.004 0.000 2.335 341 R HA 0.254 4.594 4.340 -0.000 0.000 0.210 341 R C 0.258 176.558 176.300 0.000 0.000 0.892 341 R CA -0.219 55.883 56.100 0.004 0.000 1.048 341 R CB 0.462 30.768 30.300 0.010 0.000 1.067 341 R HN 0.269 nan 8.270 nan 0.000 0.524 342 L N 4.230 125.450 121.223 -0.005 0.000 2.278 342 L HA 0.274 4.614 4.340 -0.000 0.000 0.287 342 L C -1.825 175.035 176.870 -0.016 0.000 1.072 342 L CA -1.876 52.955 54.840 -0.016 0.000 0.819 342 L CB 0.691 42.735 42.059 -0.026 0.000 1.176 342 L HN -0.132 nan 8.230 nan 0.000 0.435 343 P HA 0.027 nan 4.420 nan 0.000 0.272 343 P C -0.527 176.767 177.300 -0.010 0.000 1.230 343 P CA -0.584 62.509 63.100 -0.012 0.000 0.788 343 P CB 0.952 32.643 31.700 -0.014 0.000 0.949 344 C N 2.789 122.088 119.300 -0.001 0.000 2.585 344 C HA 0.243 4.703 4.460 -0.000 0.000 0.406 344 C C 1.315 176.318 174.990 0.022 0.000 1.312 344 C CA -0.379 58.642 59.018 0.006 0.000 1.924 344 C CB -1.106 26.638 27.740 0.008 0.000 2.578 344 C HN 0.513 nan 8.230 nan 0.000 0.580 345 R N 3.447 123.969 120.500 0.036 0.000 2.662 345 R HA 0.083 4.423 4.340 -0.000 0.000 0.396 345 R C 1.345 177.702 176.300 0.095 0.000 1.096 345 R CA -0.320 55.830 56.100 0.084 0.000 1.081 345 R CB 0.170 30.534 30.300 0.106 0.000 1.382 345 R HN 0.669 nan 8.270 nan 0.000 0.580 346 K N 2.046 122.479 120.400 0.056 0.000 2.032 346 K HA -0.235 4.085 4.320 -0.000 0.000 0.209 346 K C 1.892 178.519 176.600 0.044 0.000 1.048 346 K CA 1.926 58.234 56.287 0.036 0.000 0.927 346 K CB 0.185 32.697 32.500 0.021 0.000 0.712 346 K HN 0.091 nan 8.250 nan 0.000 0.441 347 E N -0.268 119.976 120.200 0.073 0.000 2.047 347 E HA -0.203 4.147 4.350 -0.000 0.000 0.191 347 E C 1.845 178.523 176.600 0.129 0.000 0.987 347 E CA 1.555 58.006 56.400 0.084 0.000 0.799 347 E CB -0.472 29.284 29.700 0.093 0.000 0.752 347 E HN 0.547 nan 8.360 nan 0.000 0.449 348 W N 1.380 122.672 121.300 -0.014 0.000 2.358 348 W HA -0.194 4.466 4.660 -0.000 0.000 0.303 348 W C 1.831 178.343 176.519 -0.013 0.000 1.208 348 W CA 2.066 59.403 57.345 -0.013 0.000 1.274 348 W CB -0.126 29.325 29.460 -0.015 0.000 1.138 348 W HN 0.159 nan 8.180 nan 0.000 0.515 349 V N 0.395 120.231 119.914 -0.130 0.000 2.407 349 V HA -0.178 3.942 4.120 -0.000 0.000 0.248 349 V C 2.383 178.341 176.094 -0.227 0.000 1.055 349 V CA 2.144 64.300 62.300 -0.240 0.000 1.049 349 V CB -1.883 29.889 31.823 -0.086 0.000 0.662 349 V HN 0.158 nan 8.190 nan 0.000 0.455 350 A N 2.276 125.016 122.820 -0.133 0.000 1.858 350 A HA -0.252 4.068 4.320 -0.000 0.000 0.216 350 A C 1.952 179.448 177.584 -0.147 0.000 1.190 350 A CA 2.145 54.118 52.037 -0.107 0.000 0.617 350 A CB -1.086 17.884 19.000 -0.049 0.000 0.827 350 A HN 0.794 nan 8.150 nan 0.000 0.443 351 D N -1.067 119.237 120.400 -0.161 0.000 2.312 351 D HA -0.078 4.562 4.640 -0.000 0.000 0.211 351 D C 1.584 177.723 176.300 -0.269 0.000 0.964 351 D CA 1.053 54.958 54.000 -0.158 0.000 0.877 351 D CB -0.988 39.772 40.800 -0.066 0.000 0.924 351 D HN 0.318 nan 8.370 nan 0.000 0.515 352 C N 0.303 119.328 119.300 -0.460 0.000 2.432 352 C HA -0.092 4.368 4.460 -0.000 0.000 0.277 352 C C 2.624 177.447 174.990 -0.280 0.000 1.249 352 C CA 0.879 59.623 59.018 -0.456 0.000 1.725 352 C CB -0.934 26.442 27.740 -0.606 0.000 2.028 352 C HN 0.418 nan 8.230 nan 0.000 0.477 353 Q N -0.239 119.412 119.800 -0.247 0.000 2.167 353 Q HA -0.177 4.163 4.340 -0.000 0.000 0.202 353 Q C 2.420 178.313 176.000 -0.179 0.000 0.970 353 Q CA 1.081 56.758 55.803 -0.209 0.000 0.855 353 Q CB -0.168 28.473 28.738 -0.162 0.000 0.911 353 Q HN 0.686 nan 8.270 nan 0.000 0.438 354 Q N 0.492 120.208 119.800 -0.140 0.000 2.084 354 Q HA -0.135 4.205 4.340 -0.000 0.000 0.202 354 Q C 2.002 177.952 176.000 -0.084 0.000 0.978 354 Q CA 1.211 56.960 55.803 -0.090 0.000 0.844 354 Q CB -0.164 28.536 28.738 -0.064 0.000 0.898 354 Q HN 0.357 nan 8.270 nan 0.000 0.426 355 R N 0.798 121.241 120.500 -0.095 0.000 2.081 355 R HA -0.115 4.225 4.340 -0.000 0.000 0.235 355 R C 2.301 178.543 176.300 -0.096 0.000 1.131 355 R CA 1.301 57.375 56.100 -0.044 0.000 0.960 355 R CB -0.168 30.127 30.300 -0.009 0.000 0.856 355 R HN 0.110 nan 8.270 nan 0.000 0.436 356 K N 1.155 121.378 120.400 -0.295 0.000 2.280 356 K HA -0.140 4.180 4.320 -0.000 0.000 0.202 356 K C 1.470 177.722 176.600 -0.581 0.000 1.047 356 K CA 1.217 57.035 56.287 -0.782 0.000 0.942 356 K CB 0.168 32.204 32.500 -0.772 0.000 0.739 356 K HN 0.177 nan 8.250 nan 0.000 0.457 357 R N -0.867 119.477 120.500 -0.259 0.000 2.509 357 R HA 0.104 4.444 4.340 -0.000 0.000 0.300 357 R C 0.468 176.826 176.300 0.097 0.000 0.985 357 R CA 0.497 56.551 56.100 -0.076 0.000 1.092 357 R CB 0.480 30.789 30.300 0.015 0.000 1.237 357 R HN 0.050 nan 8.270 nan 0.000 0.546 358 T N -2.332 112.250 114.554 0.046 0.000 2.980 358 T HA 0.276 4.626 4.350 -0.000 0.000 0.252 358 T C 0.762 175.523 174.700 0.101 0.000 0.962 358 T CA -0.345 61.804 62.100 0.082 0.000 0.932 358 T CB 0.174 69.071 68.868 0.050 0.000 1.188 358 T HN 0.063 nan 8.240 nan 0.000 0.500 359 L N 2.925 124.224 121.223 0.127 0.000 2.512 359 L HA 0.515 4.855 4.340 -0.000 0.000 0.247 359 L C -0.584 176.426 176.870 0.233 0.000 1.204 359 L CA -0.396 54.542 54.840 0.163 0.000 1.153 359 L CB -0.170 41.989 42.059 0.168 0.000 1.415 359 L HN 0.163 nan 8.230 nan 0.000 0.406 360 L N 0.687 122.023 121.223 0.188 0.000 2.298 360 L HA 0.658 4.998 4.340 -0.000 0.000 0.268 360 L C 0.041 177.010 176.870 0.164 0.000 1.010 360 L CA -1.005 53.961 54.840 0.210 0.000 0.812 360 L CB 1.518 43.710 42.059 0.222 0.000 1.331 360 L HN 0.328 nan 8.230 nan 0.000 0.450 361 R N 0.392 120.998 120.500 0.177 0.000 2.599 361 R HA 0.362 4.702 4.340 -0.000 0.000 0.295 361 R C -0.956 175.454 176.300 0.183 0.000 0.963 361 R CA -0.981 55.221 56.100 0.169 0.000 0.883 361 R CB 2.389 32.789 30.300 0.167 0.000 1.171 361 R HN 0.405 nan 8.270 nan 0.000 0.450 362 K N 1.078 121.580 120.400 0.170 0.000 2.412 362 K HA 0.004 4.324 4.320 -0.000 0.000 0.281 362 K C 0.512 177.222 176.600 0.184 0.000 1.027 362 K CA 0.479 56.817 56.287 0.085 0.000 0.989 362 K CB 0.675 33.136 32.500 -0.065 0.000 0.935 362 K HN 0.775 nan 8.250 nan 0.000 0.475 363 T N -0.147 114.476 114.554 0.116 0.000 2.954 363 T HA -0.004 4.346 4.350 -0.000 0.000 0.252 363 T C 0.486 175.283 174.700 0.162 0.000 0.983 363 T CA -0.054 62.196 62.100 0.249 0.000 0.941 363 T CB -0.244 68.794 68.868 0.283 0.000 1.141 363 T HN 0.687 nan 8.240 nan 0.000 0.500 364 H N 1.075 120.068 119.070 -0.128 0.000 3.045 364 H HA 0.498 5.054 4.556 -0.000 0.000 0.254 364 H C -1.314 173.870 175.328 -0.241 0.000 1.747 364 H CA -1.238 54.747 56.048 -0.104 0.000 1.444 364 H CB -1.191 28.526 29.762 -0.075 0.000 1.778 364 H HN 0.257 nan 8.280 nan 0.000 0.544 365 F N 1.743 121.617 119.950 -0.127 0.000 2.420 365 F HA 0.167 4.694 4.527 -0.000 0.000 0.342 365 F C 1.009 176.696 175.800 -0.188 0.000 1.113 365 F CA -0.679 57.257 58.000 -0.107 0.000 1.059 365 F CB 1.452 40.438 39.000 -0.024 0.000 1.128 365 F HN 0.405 nan 8.300 nan 0.000 0.475 366 D N 1.496 121.910 120.400 0.023 0.000 2.339 366 D HA 0.023 4.663 4.640 -0.000 0.000 0.217 366 D C -0.053 176.272 176.300 0.040 0.000 1.050 366 D CA 0.204 54.194 54.000 -0.016 0.000 0.856 366 D CB -0.182 40.604 40.800 -0.023 0.000 0.922 366 D HN 0.455 nan 8.370 nan 0.000 0.518 367 N N -0.153 118.601 118.700 0.090 0.000 2.395 367 N HA 0.075 4.815 4.740 -0.000 0.000 0.246 367 N C -0.447 175.083 175.510 0.033 0.000 1.246 367 N CA 0.344 53.430 53.050 0.060 0.000 0.879 367 N CB 1.027 39.539 38.487 0.042 0.000 1.098 367 N HN -0.233 nan 8.380 nan 0.000 0.444 368 V N 2.136 122.068 119.914 0.030 0.000 2.525 368 V HA 0.393 4.513 4.120 -0.000 0.000 0.299 368 V C -1.939 174.177 176.094 0.037 0.000 1.034 368 V CA -1.359 60.961 62.300 0.034 0.000 0.863 368 V CB 1.417 33.260 31.823 0.032 0.000 0.999 368 V HN 0.682 nan 8.190 nan 0.000 0.423 369 P HA 0.307 nan 4.420 nan 0.000 0.272 369 P C -0.433 176.882 177.300 0.024 0.000 1.230 369 P CA -0.302 62.832 63.100 0.057 0.000 0.788 369 P CB 0.475 32.233 31.700 0.096 0.000 0.949 370 V N 1.964 121.885 119.914 0.011 0.000 2.655 370 V HA 0.022 4.142 4.120 -0.000 0.000 0.300 370 V C 0.931 176.999 176.094 -0.043 0.000 1.044 370 V CA 0.008 62.299 62.300 -0.016 0.000 1.095 370 V CB -0.139 31.661 31.823 -0.037 0.000 0.952 370 V HN 0.442 nan 8.190 nan 0.000 0.485 371 K N 7.120 127.476 120.400 -0.073 0.000 2.249 371 K HA 0.250 4.570 4.320 -0.000 0.000 0.280 371 K C -1.468 175.085 176.600 -0.078 0.000 1.033 371 K CA -1.495 54.704 56.287 -0.146 0.000 0.946 371 K CB 1.250 33.510 32.500 -0.399 0.000 1.005 371 K HN 0.414 nan 8.250 nan 0.000 0.469 372 P HA -0.230 nan 4.420 nan 0.000 0.218 372 P C 0.876 178.105 177.300 -0.119 0.000 1.149 372 P CA 1.309 64.353 63.100 -0.094 0.000 0.817 372 P CB 0.242 31.954 31.700 0.020 0.000 0.785 373 Q N 0.179 120.054 119.800 0.126 0.000 2.291 373 Q HA -0.151 4.189 4.340 -0.000 0.000 0.205 373 Q C 2.070 178.234 176.000 0.272 0.000 0.970 373 Q CA 1.187 57.192 55.803 0.337 0.000 0.876 373 Q CB -0.888 28.090 28.738 0.400 0.000 0.935 373 Q HN 0.126 nan 8.270 nan 0.000 0.455 374 R N 1.477 122.092 120.500 0.191 0.000 2.115 374 R HA -0.014 4.326 4.340 -0.000 0.000 0.230 374 R C 2.095 178.431 176.300 0.061 0.000 1.111 374 R CA 1.015 57.206 56.100 0.153 0.000 0.976 374 R CB -0.693 29.681 30.300 0.122 0.000 0.870 374 R HN 0.153 nan 8.270 nan 0.000 0.445 375 V N 0.173 120.026 119.914 -0.101 0.000 2.343 375 V HA -0.258 3.862 4.120 -0.000 0.000 0.247 375 V C 1.742 177.818 176.094 -0.031 0.000 1.051 375 V CA 1.956 64.166 62.300 -0.150 0.000 1.036 375 V CB -0.658 30.942 31.823 -0.371 0.000 0.654 375 V HN 0.333 nan 8.190 nan 0.000 0.451 376 Y N 0.361 120.782 120.300 0.200 0.000 2.314 376 Y HA -0.170 4.380 4.550 -0.000 0.000 0.293 376 Y C 2.615 178.654 175.900 0.232 0.000 1.129 376 Y CA 1.375 59.591 58.100 0.194 0.000 1.201 376 Y CB -0.271 38.273 38.460 0.141 0.000 0.999 376 Y HN 0.295 nan 8.280 nan 0.000 0.541 377 E N 0.885 121.293 120.200 0.347 0.000 2.058 377 E HA -0.171 4.179 4.350 -0.000 0.000 0.194 377 E C 0.682 177.450 176.600 0.280 0.000 0.997 377 E CA 0.864 57.449 56.400 0.310 0.000 0.801 377 E CB 0.073 29.940 29.700 0.279 0.000 0.746 377 E HN 0.315 nan 8.360 nan 0.000 0.450 381 K N 1.319 121.810 120.400 0.151 0.000 2.057 381 K HA 0.198 4.518 4.320 -0.000 0.000 0.206 381 K C 1.822 178.411 176.600 -0.018 0.000 1.050 381 K CA 1.492 57.799 56.287 0.034 0.000 0.935 381 K CB 0.035 32.570 32.500 0.058 0.000 0.715 381 K HN 0.190 nan 8.250 nan 0.000 0.439 382 A N 0.748 123.513 122.820 -0.093 0.000 1.970 382 A HA 0.069 4.389 4.320 -0.000 0.000 0.216 382 A C 0.624 177.951 177.584 -0.429 0.000 1.170 382 A CA 0.641 52.486 52.037 -0.321 0.000 0.645 382 A CB -0.083 18.600 19.000 -0.529 0.000 0.816 382 A HN 0.103 nan 8.150 nan 0.000 0.447 383 F N -0.946 119.031 119.950 0.045 0.000 2.470 383 F HA 0.570 5.097 4.527 0.000 0.000 0.329 383 F C 1.241 177.085 175.800 0.074 0.000 1.072 383 F CA -0.682 57.336 58.000 0.029 0.000 0.989 383 F CB 1.236 40.237 39.000 0.002 0.000 1.193 383 F HN 0.150 nan 8.300 nan 0.000 0.481 384 G N 0.742 109.694 108.800 0.252 0.000 2.653 384 G HA2 0.133 4.093 3.960 -0.000 0.000 0.265 384 G HA3 0.133 4.093 3.960 -0.000 0.000 0.265 384 G C 0.752 175.753 174.900 0.168 0.000 1.237 384 G CA -0.560 44.628 45.100 0.146 0.000 0.946 384 G HN 0.797 nan 8.290 nan 0.000 0.522 385 R N -0.486 120.053 120.500 0.065 0.000 2.148 385 R HA -0.089 4.251 4.340 -0.000 0.000 0.227 385 R C 1.473 177.851 176.300 0.130 0.000 1.103 385 R CA 1.703 57.794 56.100 -0.015 0.000 0.983 385 R CB -0.141 30.001 30.300 -0.265 0.000 0.874 385 R HN 0.656 nan 8.270 nan 0.000 0.451 386 D N 0.465 120.930 120.400 0.110 0.000 2.336 386 D HA -0.063 4.577 4.640 -0.000 0.000 0.229 386 D C 0.598 176.987 176.300 0.148 0.000 1.061 386 D CA -0.112 53.996 54.000 0.180 0.000 0.875 386 D CB -0.242 40.628 40.800 0.116 0.000 0.904 386 D HN 0.020 nan 8.370 nan 0.000 0.525 387 V N 0.475 120.413 119.914 0.040 0.000 2.901 387 V HA -0.034 4.086 4.120 -0.000 0.000 0.307 387 V C -0.151 175.700 176.094 -0.405 0.000 1.084 387 V CA -0.239 61.907 62.300 -0.255 0.000 1.184 387 V CB 1.001 32.585 31.823 -0.399 0.000 0.941 387 V HN 0.540 nan 8.190 nan 0.000 0.493 388 C N 7.750 126.683 119.300 -0.612 0.000 2.356 388 C HA 0.571 5.031 4.460 -0.000 0.000 0.324 388 C C -0.537 174.157 174.990 -0.494 0.000 1.167 388 C CA -1.009 57.653 59.018 -0.592 0.000 1.420 388 C CB -0.575 26.770 27.740 -0.659 0.000 2.036 388 C HN 0.853 nan 8.230 nan 0.000 0.435 389 Y N 4.158 124.343 120.300 -0.192 0.000 2.304 389 Y HA 0.561 5.111 4.550 -0.000 0.000 0.328 389 Y C 0.484 176.125 175.900 -0.431 0.000 1.123 389 Y CA -0.588 57.362 58.100 -0.250 0.000 1.218 389 Y CB 1.244 39.647 38.460 -0.095 0.000 1.207 389 Y HN 0.397 nan 8.280 nan 0.000 0.495 390 V N 2.930 122.708 119.914 -0.227 0.000 2.487 390 V HA 0.600 4.720 4.120 -0.000 0.000 0.298 390 V C -0.171 175.768 176.094 -0.260 0.000 1.028 390 V CA -0.460 61.665 62.300 -0.292 0.000 0.860 390 V CB 1.736 33.396 31.823 -0.271 0.000 0.991 390 V HN 0.911 nan 8.190 nan 0.000 0.427 391 T N 2.397 116.794 114.554 -0.260 0.000 2.739 391 T HA 0.551 4.901 4.350 -0.000 0.000 0.303 391 T C 0.116 174.782 174.700 -0.057 0.000 1.389 391 T CA 0.490 62.506 62.100 -0.141 0.000 1.001 391 T CB 2.260 71.005 68.868 -0.205 0.000 1.436 391 T HN 0.677 nan 8.240 nan 0.000 0.500 392 T N 0.757 115.296 114.554 -0.025 0.000 3.364 392 T HA 0.593 4.943 4.350 -0.000 0.000 0.179 392 T C -0.479 174.160 174.700 -0.103 0.000 0.939 392 T CA -0.150 61.888 62.100 -0.103 0.000 1.094 392 T CB 0.097 68.953 68.868 -0.020 0.000 1.532 392 T HN 0.615 nan 8.240 nan 0.000 0.346 393 I N -0.106 120.437 120.570 -0.045 0.000 2.908 393 I HA 0.563 4.733 4.170 -0.000 0.000 0.300 393 I C -1.351 174.780 176.117 0.024 0.000 1.385 393 I CA 0.092 61.375 61.300 -0.028 0.000 1.004 393 I CB 1.941 39.898 38.000 -0.071 0.000 1.309 393 I HN 0.761 nan 8.210 nan 0.000 0.449 394 G N 4.423 113.244 108.800 0.034 0.000 2.353 394 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.424 394 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.424 394 G C -0.156 174.777 174.900 0.055 0.000 1.320 394 G CA -0.425 44.710 45.100 0.058 0.000 0.995 394 G HN 0.665 nan 8.290 nan 0.000 0.580 395 L N 0.927 122.184 121.223 0.057 0.000 2.131 395 L HA -0.092 4.248 4.340 -0.000 0.000 0.210 395 L C 3.283 180.219 176.870 0.111 0.000 1.092 395 L CA 2.211 57.084 54.840 0.056 0.000 0.759 395 L CB -0.723 41.357 42.059 0.034 0.000 0.903 395 L HN 0.802 nan 8.230 nan 0.000 0.435 396 S N 1.131 116.919 115.700 0.146 0.000 2.368 396 S HA -0.332 4.138 4.470 -0.000 0.000 0.226 396 S C 1.841 176.553 174.600 0.187 0.000 1.044 396 S CA 1.771 60.104 58.200 0.222 0.000 1.062 396 S CB -0.659 62.657 63.200 0.194 0.000 0.931 396 S HN 0.633 nan 8.310 nan 0.000 0.440 397 Q N 1.107 120.978 119.800 0.120 0.000 2.302 397 Q HA 0.293 4.633 4.340 -0.000 0.000 0.202 397 Q C 1.941 177.979 176.000 0.063 0.000 0.936 397 Q CA 0.819 56.691 55.803 0.114 0.000 0.886 397 Q CB -0.749 28.059 28.738 0.117 0.000 0.986 397 Q HN 0.614 nan 8.270 nan 0.000 0.487 398 I N 1.280 121.859 120.570 0.016 0.000 2.142 398 I HA -0.236 3.934 4.170 -0.000 0.000 0.240 398 I C 2.451 178.494 176.117 -0.123 0.000 1.078 398 I CA 1.254 62.527 61.300 -0.044 0.000 1.343 398 I CB -0.524 37.457 38.000 -0.032 0.000 1.046 398 I HN 0.415 nan 8.210 nan 0.000 0.405 399 A N 0.610 123.358 122.820 -0.120 0.000 1.933 399 A HA -0.137 4.183 4.320 -0.000 0.000 0.218 399 A C 2.518 179.702 177.584 -0.666 0.000 1.175 399 A CA 1.748 53.651 52.037 -0.225 0.000 0.628 399 A CB -0.812 18.205 19.000 0.029 0.000 0.814 399 A HN 0.443 nan 8.150 nan 0.000 0.444 400 A N -0.005 122.329 122.820 -0.810 0.000 1.877 400 A HA 0.132 4.452 4.320 -0.000 0.000 0.216 400 A C 2.499 179.903 177.584 -0.300 0.000 1.186 400 A CA 2.120 53.687 52.037 -0.783 0.000 0.620 400 A CB -1.031 17.850 19.000 -0.199 0.000 0.822 400 A HN 1.086 nan 8.150 nan 0.000 0.443 401 A N -0.168 122.548 122.820 -0.174 0.000 1.972 401 A HA -0.023 4.297 4.320 -0.000 0.000 0.219 401 A C 1.591 178.856 177.584 -0.532 0.000 1.169 401 A CA 1.312 53.136 52.037 -0.355 0.000 0.635 401 A CB -0.502 18.313 19.000 -0.308 0.000 0.810 401 A HN 0.834 nan 8.150 nan 0.000 0.446 405 H N 0.407 119.586 119.070 0.182 0.000 2.717 405 H HA 0.761 5.317 4.556 -0.000 0.000 0.366 405 H C -1.296 173.799 175.328 -0.389 0.000 1.132 405 H CA -0.550 55.427 56.048 -0.119 0.000 1.180 405 H CB 2.886 32.455 29.762 -0.323 0.000 1.678 405 H HN 0.190 nan 8.280 nan 0.000 0.537 406 V N 2.858 122.330 119.914 -0.736 0.000 2.876 406 V HA 0.253 4.373 4.120 -0.000 0.000 0.312 406 V C -0.522 174.984 176.094 -0.980 0.000 1.085 406 V CA -0.427 61.447 62.300 -0.711 0.000 0.945 406 V CB 2.026 33.337 31.823 -0.853 0.000 1.017 406 V HN 0.698 nan 8.190 nan 0.000 0.428 407 F N 1.930 121.794 119.950 -0.143 0.000 2.825 407 F HA 0.526 5.053 4.527 -0.000 0.000 0.322 407 F C 0.357 176.044 175.800 -0.188 0.000 1.127 407 F CA -0.245 57.675 58.000 -0.134 0.000 1.164 407 F CB 0.675 39.608 39.000 -0.113 0.000 1.101 407 F HN 0.322 nan 8.300 nan 0.000 0.529 408 K N 0.875 121.168 120.400 -0.179 0.000 2.579 408 K HA 0.188 4.508 4.320 -0.000 0.000 0.284 408 K C -1.701 174.773 176.600 -0.212 0.000 0.990 408 K CA -0.863 55.254 56.287 -0.284 0.000 0.880 408 K CB 1.572 33.685 32.500 -0.644 0.000 1.488 408 K HN -0.004 nan 8.250 nan 0.000 0.425 409 D N 2.308 122.641 120.400 -0.111 0.000 2.345 409 D HA 0.141 4.781 4.640 -0.000 0.000 0.247 409 D C -0.494 175.844 176.300 0.064 0.000 1.108 409 D CA 0.015 54.010 54.000 -0.009 0.000 0.894 409 D CB 0.958 41.764 40.800 0.011 0.000 1.203 409 D HN 0.696 nan 8.370 nan 0.000 0.430 410 R N 0.282 120.845 120.500 0.106 0.000 3.770 410 R HA -0.182 4.158 4.340 -0.000 0.000 0.305 410 R C 0.239 176.663 176.300 0.207 0.000 1.184 410 R CA 0.815 56.992 56.100 0.129 0.000 0.823 410 R CB -2.542 27.809 30.300 0.085 0.000 1.285 410 R HN 0.692 nan 8.270 nan 0.000 0.499 411 H N -1.878 117.170 119.070 -0.037 0.000 2.542 411 H HA 0.069 4.625 4.556 -0.000 0.000 0.283 411 H C -0.176 175.144 175.328 -0.013 0.000 1.059 411 H CA -0.154 55.849 56.048 -0.076 0.000 1.162 411 H CB 0.564 30.265 29.762 -0.102 0.000 1.539 411 H HN 0.278 nan 8.280 nan 0.000 0.543 412 W N 2.566 123.810 121.300 -0.092 0.000 2.453 412 W HA 0.275 4.935 4.660 -0.000 0.000 0.310 412 W C -1.820 174.703 176.519 0.005 0.000 1.000 412 W CA -0.672 56.617 57.345 -0.092 0.000 1.367 412 W CB 0.785 30.124 29.460 -0.202 0.000 1.269 412 W HN -0.085 nan 8.180 nan 0.000 0.418 413 I N 5.960 126.332 120.570 -0.329 0.000 2.306 413 I HA 0.198 4.368 4.170 -0.000 0.000 0.288 413 I C -0.293 175.668 176.117 -0.260 0.000 1.036 413 I CA -0.299 60.895 61.300 -0.176 0.000 1.221 413 I CB 0.559 38.500 38.000 -0.099 0.000 1.385 413 I HN 0.390 nan 8.210 nan 0.000 0.472 414 N N 5.789 124.358 118.700 -0.219 0.000 2.425 414 N HA 0.227 4.967 4.740 -0.000 0.000 0.289 414 N C -0.596 174.653 175.510 -0.436 0.000 1.074 414 N CA -0.565 52.277 53.050 -0.347 0.000 0.905 414 N CB 1.696 40.039 38.487 -0.241 0.000 1.586 414 N HN 0.580 nan 8.380 nan 0.000 0.490 415 C N 2.284 121.004 119.300 -0.967 0.000 2.485 415 C HA 0.552 5.012 4.460 -0.000 0.000 0.408 415 C C 1.844 176.524 174.990 -0.517 0.000 1.034 415 C CA -0.462 58.000 59.018 -0.926 0.000 1.267 415 C CB -1.262 25.497 27.740 -1.635 0.000 1.703 415 C HN 0.709 nan 8.230 nan 0.000 0.530 416 G N 1.724 110.349 108.800 -0.291 0.000 2.443 416 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.219 416 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.219 416 G C 1.602 176.403 174.900 -0.165 0.000 1.131 416 G CA 1.075 46.077 45.100 -0.163 0.000 0.775 416 G HN 0.668 nan 8.290 nan 0.000 0.547 417 Q N -0.205 119.470 119.800 -0.208 0.000 2.349 417 Q HA 0.450 4.790 4.340 -0.000 0.000 0.209 417 Q C 2.286 178.160 176.000 -0.209 0.000 0.920 417 Q CA 1.358 57.057 55.803 -0.173 0.000 0.901 417 Q CB -0.056 28.585 28.738 -0.160 0.000 1.021 417 Q HN 0.260 nan 8.270 nan 0.000 0.519 418 A N -0.526 122.082 122.820 -0.353 0.000 1.993 418 A HA 0.456 4.776 4.320 -0.000 0.000 0.207 418 A C 1.448 178.878 177.584 -0.257 0.000 1.224 418 A CA 0.510 52.317 52.037 -0.383 0.000 0.749 418 A CB -0.643 17.896 19.000 -0.767 0.000 0.884 418 A HN 0.569 nan 8.150 nan 0.000 0.467 419 G N 1.291 109.872 108.800 -0.364 0.000 2.393 419 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.299 419 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.299 419 G C -1.979 172.760 174.900 -0.267 0.000 0.990 419 G CA 0.147 45.044 45.100 -0.340 0.000 1.118 419 G HN 0.514 nan 8.290 nan 0.000 0.513 420 P HA 0.335 nan 4.420 nan 0.000 0.282 420 P C 0.817 177.968 177.300 -0.248 0.000 1.262 420 P CA -0.345 62.643 63.100 -0.188 0.000 0.773 420 P CB 1.032 32.680 31.700 -0.087 0.000 0.879 421 L N 2.639 123.619 121.223 -0.405 0.000 2.514 421 L HA 0.204 4.544 4.340 -0.000 0.000 0.280 421 L C 1.814 178.335 176.870 -0.581 0.000 1.223 421 L CA 1.295 55.721 54.840 -0.691 0.000 0.864 421 L CB -0.511 40.683 42.059 -1.441 0.000 1.118 421 L HN 0.822 nan 8.230 nan 0.000 0.494 422 G N 1.718 110.351 108.800 -0.279 0.000 2.194 422 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.236 422 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.236 422 G C 0.407 175.311 174.900 0.007 0.000 0.987 422 G CA 0.370 45.465 45.100 -0.008 0.000 0.635 422 G HN 0.828 nan 8.290 nan 0.000 0.520 423 W N 1.804 122.932 121.300 -0.285 0.000 2.388 423 W HA 0.042 4.702 4.660 -0.000 0.000 0.294 423 W C 2.464 178.849 176.519 -0.224 0.000 1.212 423 W CA 2.720 59.815 57.345 -0.416 0.000 1.271 423 W CB -0.171 28.987 29.460 -0.503 0.000 1.126 423 W HN 0.178 nan 8.180 nan 0.000 0.535 424 T N 1.090 115.693 114.554 0.082 0.000 2.674 424 T HA -0.261 4.089 4.350 -0.000 0.000 0.265 424 T C 1.788 176.445 174.700 -0.073 0.000 1.039 424 T CA 2.124 64.251 62.100 0.046 0.000 1.150 424 T CB -0.570 68.410 68.868 0.187 0.000 0.864 424 T HN 0.111 nan 8.240 nan 0.000 0.427 425 I N 1.864 122.462 120.570 0.048 0.000 2.099 425 I HA -0.134 4.036 4.170 -0.000 0.000 0.239 425 I C -0.417 175.595 176.117 -0.174 0.000 1.066 425 I CA 1.301 62.632 61.300 0.051 0.000 1.324 425 I CB -1.376 36.632 38.000 0.013 0.000 1.037 425 I HN 0.210 nan 8.210 nan 0.000 0.401 426 P HA -0.172 nan 4.420 nan 0.000 0.216 426 P C 1.442 178.439 177.300 -0.505 0.000 1.153 426 P CA 2.072 64.983 63.100 -0.315 0.000 0.848 426 P CB -0.075 31.471 31.700 -0.256 0.000 0.787 427 A N 0.762 123.153 122.820 -0.714 0.000 1.883 427 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 427 A C 2.523 179.724 177.584 -0.638 0.000 1.186 427 A CA 2.529 54.008 52.037 -0.931 0.000 0.624 427 A CB -1.624 16.325 19.000 -1.752 0.000 0.822 427 A HN 0.233 nan 8.150 nan 0.000 0.444 428 A N -0.285 122.182 122.820 -0.588 0.000 1.883 428 A HA -0.091 4.229 4.320 -0.000 0.000 0.217 428 A C 2.182 179.405 177.584 -0.602 0.000 1.186 428 A CA 1.605 53.253 52.037 -0.648 0.000 0.624 428 A CB -0.674 17.754 19.000 -0.953 0.000 0.822 428 A HN 0.490 nan 8.150 nan 0.000 0.444 429 L N -0.749 120.167 121.223 -0.511 0.000 2.083 429 L HA -0.137 4.203 4.340 -0.000 0.000 0.209 429 L C 2.801 179.550 176.870 -0.201 0.000 1.083 429 L CA 1.043 55.709 54.840 -0.291 0.000 0.752 429 L CB -0.756 41.201 42.059 -0.169 0.000 0.899 429 L HN 0.508 nan 8.230 nan 0.000 0.433 430 G N -0.589 108.019 108.800 -0.321 0.000 2.408 430 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.217 430 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.217 430 G C 1.591 176.456 174.900 -0.058 0.000 1.150 430 G CA 0.773 45.734 45.100 -0.232 0.000 0.776 430 G HN 0.186 nan 8.290 nan 0.000 0.542 431 V N 0.534 120.330 119.914 -0.197 0.000 2.358 431 V HA -0.204 3.916 4.120 -0.000 0.000 0.246 431 V C 3.032 179.039 176.094 -0.145 0.000 1.047 431 V CA 1.747 63.931 62.300 -0.193 0.000 1.035 431 V CB -0.649 31.024 31.823 -0.249 0.000 0.658 431 V HN 0.492 nan 8.190 nan 0.000 0.452 432 C N 0.313 119.533 119.300 -0.134 0.000 2.425 432 C HA -0.077 4.383 4.460 -0.000 0.000 0.277 432 C C 3.071 178.064 174.990 0.005 0.000 1.280 432 C CA 0.774 59.753 59.018 -0.066 0.000 1.744 432 C CB -1.350 26.363 27.740 -0.046 0.000 1.989 432 C HN 0.629 nan 8.230 nan 0.000 0.491 433 A N 0.294 123.160 122.820 0.076 0.000 1.969 433 A HA 0.162 4.482 4.320 -0.000 0.000 0.218 433 A C 2.313 179.996 177.584 0.165 0.000 1.169 433 A CA 1.779 53.916 52.037 0.168 0.000 0.635 433 A CB -0.653 18.544 19.000 0.328 0.000 0.810 433 A HN 0.560 nan 8.150 nan 0.000 0.445 434 A N -1.377 121.459 122.820 0.027 0.000 1.968 434 A HA 0.098 4.418 4.320 -0.000 0.000 0.217 434 A C 0.760 178.238 177.584 -0.176 0.000 1.169 434 A CA 1.527 53.371 52.037 -0.321 0.000 0.638 434 A CB -0.010 18.591 19.000 -0.666 0.000 0.812 434 A HN 0.373 nan 8.150 nan 0.000 0.446 435 D N -2.546 117.791 120.400 -0.105 0.000 2.337 435 D HA 0.324 4.964 4.640 -0.000 0.000 0.238 435 D C -2.546 173.726 176.300 -0.047 0.000 1.331 435 D CA -1.436 52.518 54.000 -0.076 0.000 0.967 435 D CB 1.220 41.959 40.800 -0.100 0.000 1.382 435 D HN -0.120 nan 8.370 nan 0.000 0.549 436 P HA -0.074 nan 4.420 nan 0.000 0.223 436 P C 1.000 178.298 177.300 -0.005 0.000 1.144 436 P CA 0.699 63.800 63.100 0.001 0.000 0.783 436 P CB 0.378 32.088 31.700 0.016 0.000 0.771 437 K N -1.028 119.362 120.400 -0.016 0.000 2.400 437 K HA 0.056 4.376 4.320 -0.000 0.000 0.194 437 K C 0.939 177.519 176.600 -0.033 0.000 1.033 437 K CA 0.030 56.309 56.287 -0.014 0.000 1.021 437 K CB -0.022 32.474 32.500 -0.007 0.000 0.808 437 K HN 0.044 nan 8.250 nan 0.000 0.505 438 R N 2.539 123.001 120.500 -0.063 0.000 2.401 438 R HA -0.011 4.329 4.340 -0.000 0.000 0.299 438 R C -0.046 176.180 176.300 -0.123 0.000 1.064 438 R CA 0.042 56.071 56.100 -0.119 0.000 1.000 438 R CB -0.017 30.183 30.300 -0.167 0.000 0.973 438 R HN -0.116 nan 8.270 nan 0.000 0.438 439 N N 4.069 122.678 118.700 -0.151 0.000 2.895 439 N HA 0.060 4.800 4.740 -0.000 0.000 0.277 439 N C -1.315 174.042 175.510 -0.256 0.000 1.185 439 N CA -0.173 52.785 53.050 -0.154 0.000 1.106 439 N CB 0.237 38.653 38.487 -0.117 0.000 1.422 439 N HN 0.278 nan 8.380 nan 0.000 0.521 440 V N 2.570 122.366 119.914 -0.198 0.000 2.488 440 V HA 0.279 4.399 4.120 -0.000 0.000 0.277 440 V C 0.138 176.127 176.094 -0.174 0.000 1.046 440 V CA -0.501 61.668 62.300 -0.219 0.000 0.986 440 V CB 1.234 32.947 31.823 -0.184 0.000 0.989 440 V HN 0.199 nan 8.190 nan 0.000 0.475 441 V N 4.355 124.117 119.914 -0.253 0.000 2.525 441 V HA 0.750 4.870 4.120 -0.000 0.000 0.299 441 V C 0.182 176.249 176.094 -0.045 0.000 1.034 441 V CA -0.544 61.638 62.300 -0.196 0.000 0.863 441 V CB 1.695 33.199 31.823 -0.532 0.000 0.999 441 V HN 0.987 nan 8.190 nan 0.000 0.423 442 A N 5.536 128.333 122.820 -0.039 0.000 2.312 442 A HA 0.970 5.290 4.320 -0.000 0.000 0.328 442 A C -0.857 176.642 177.584 -0.142 0.000 1.158 442 A CA -0.468 51.444 52.037 -0.208 0.000 0.821 442 A CB 0.835 19.510 19.000 -0.542 0.000 1.170 442 A HN 0.730 nan 8.150 nan 0.000 0.490 443 I N 0.877 121.410 120.570 -0.062 0.000 2.436 443 I HA 0.511 4.681 4.170 -0.000 0.000 0.289 443 I C 0.145 176.362 176.117 0.167 0.000 1.010 443 I CA 0.261 61.622 61.300 0.101 0.000 1.098 443 I CB 2.100 40.191 38.000 0.152 0.000 1.266 443 I HN 0.436 nan 8.210 nan 0.000 0.434 444 S N 2.323 118.197 115.700 0.289 0.000 2.569 444 S HA 0.802 5.272 4.470 -0.000 0.000 0.280 444 S C -0.037 174.688 174.600 0.208 0.000 1.111 444 S CA -0.790 57.596 58.200 0.310 0.000 0.887 444 S CB 2.037 65.562 63.200 0.541 0.000 1.095 444 S HN 0.837 nan 8.310 nan 0.000 0.476 445 G N 0.472 109.387 108.800 0.193 0.000 2.547 445 G HA2 0.322 4.282 3.960 -0.000 0.000 0.291 445 G HA3 0.322 4.282 3.960 -0.000 0.000 0.291 445 G C 0.574 175.580 174.900 0.177 0.000 1.211 445 G CA -0.459 44.739 45.100 0.163 0.000 0.950 445 G HN 0.759 nan 8.290 nan 0.000 0.504 446 D N -0.576 119.925 120.400 0.169 0.000 2.144 446 D HA -0.174 4.466 4.640 -0.000 0.000 0.199 446 D C 1.829 178.375 176.300 0.409 0.000 0.984 446 D CA 0.839 54.958 54.000 0.198 0.000 0.834 446 D CB -0.213 40.755 40.800 0.280 0.000 0.955 446 D HN 0.244 nan 8.370 nan 0.000 0.465 447 F N 1.898 121.987 119.950 0.230 0.000 2.128 447 F HA -0.079 4.448 4.527 0.000 0.000 0.295 447 F C 2.028 178.017 175.800 0.314 0.000 1.100 447 F CA 1.340 59.507 58.000 0.279 0.000 1.260 447 F CB -0.535 38.601 39.000 0.228 0.000 1.009 447 F HN -0.137 nan 8.300 nan 0.000 0.476 448 D N -0.544 120.015 120.400 0.265 0.000 2.123 448 D HA -0.301 4.339 4.640 -0.000 0.000 0.196 448 D C 2.232 178.635 176.300 0.172 0.000 0.992 448 D CA 1.446 55.499 54.000 0.089 0.000 0.833 448 D CB -0.616 40.250 40.800 0.109 0.000 0.954 448 D HN 0.270 nan 8.370 nan 0.000 0.455 449 F N 0.788 120.785 119.950 0.077 0.000 2.161 449 F HA -0.135 4.392 4.527 0.000 0.000 0.300 449 F C 2.362 178.198 175.800 0.060 0.000 1.089 449 F CA 1.547 59.553 58.000 0.011 0.000 1.282 449 F CB -0.162 38.770 39.000 -0.113 0.000 1.010 449 F HN 0.051 nan 8.300 nan 0.000 0.485 450 Q N -1.305 118.635 119.800 0.234 0.000 2.187 450 Q HA -0.116 4.224 4.340 -0.000 0.000 0.199 450 Q C 2.130 178.159 176.000 0.049 0.000 0.957 450 Q CA 1.098 56.995 55.803 0.157 0.000 0.857 450 Q CB -0.334 28.552 28.738 0.246 0.000 0.929 450 Q HN 0.346 nan 8.270 nan 0.000 0.453 451 F N 0.802 120.652 119.950 -0.168 0.000 2.045 451 F HA -0.231 4.296 4.527 -0.000 0.000 0.297 451 F C 1.265 176.991 175.800 -0.124 0.000 1.114 451 F CA 1.377 59.268 58.000 -0.182 0.000 1.207 451 F CB 0.067 38.952 39.000 -0.191 0.000 0.964 451 F HN 0.022 nan 8.300 nan 0.000 0.486 452 L N -0.398 120.865 121.223 0.066 0.000 3.083 452 L HA 0.222 4.562 4.340 -0.000 0.000 0.286 452 L C 1.219 178.033 176.870 -0.095 0.000 1.307 452 L CA -0.188 54.644 54.840 -0.014 0.000 0.897 452 L CB 0.389 42.441 42.059 -0.011 0.000 1.306 452 L HN 0.145 nan 8.230 nan 0.000 0.569 453 I N 1.060 121.549 120.570 -0.136 0.000 2.361 453 I HA -0.258 3.912 4.170 -0.000 0.000 0.251 453 I C 2.536 178.565 176.117 -0.147 0.000 1.133 453 I CA 1.373 62.517 61.300 -0.259 0.000 1.413 453 I CB 0.295 38.190 38.000 -0.175 0.000 1.073 453 I HN 0.536 nan 8.210 nan 0.000 0.424 454 E N 0.505 120.674 120.200 -0.053 0.000 2.268 454 E HA -0.250 4.100 4.350 -0.000 0.000 0.195 454 E C 1.354 177.959 176.600 0.008 0.000 0.995 454 E CA 0.959 57.355 56.400 -0.006 0.000 0.836 454 E CB -0.557 29.158 29.700 0.025 0.000 0.763 454 E HN 0.541 nan 8.360 nan 0.000 0.491 455 E N 1.103 121.299 120.200 -0.007 0.000 2.338 455 E HA -0.034 4.316 4.350 -0.000 0.000 0.197 455 E C 2.297 178.921 176.600 0.039 0.000 1.007 455 E CA 0.255 56.665 56.400 0.017 0.000 0.849 455 E CB -0.363 29.329 29.700 -0.013 0.000 0.774 455 E HN 0.399 nan 8.360 nan 0.000 0.506 456 L N 0.474 121.703 121.223 0.010 0.000 2.081 456 L HA -0.203 4.137 4.340 -0.000 0.000 0.212 456 L C 2.399 179.318 176.870 0.082 0.000 1.080 456 L CA 1.286 56.159 54.840 0.054 0.000 0.754 456 L CB -0.557 41.508 42.059 0.010 0.000 0.893 456 L HN 0.077 nan 8.230 nan 0.000 0.433 457 A N -0.588 122.271 122.820 0.065 0.000 2.067 457 A HA -0.093 4.227 4.320 -0.000 0.000 0.219 457 A C 2.291 179.943 177.584 0.113 0.000 1.158 457 A CA 1.312 53.392 52.037 0.072 0.000 0.661 457 A CB -0.563 18.468 19.000 0.052 0.000 0.801 457 A HN 0.226 nan 8.150 nan 0.000 0.452 458 V N -0.156 119.851 119.914 0.154 0.000 2.307 458 V HA -0.167 3.953 4.120 -0.000 0.000 0.245 458 V C 2.813 179.089 176.094 0.302 0.000 1.045 458 V CA 1.890 64.351 62.300 0.268 0.000 1.024 458 V CB -1.455 30.494 31.823 0.211 0.000 0.651 458 V HN 0.577 nan 8.190 nan 0.000 0.449 459 G N -0.543 108.386 108.800 0.216 0.000 2.448 459 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.219 459 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.219 459 G C 1.669 176.679 174.900 0.183 0.000 1.127 459 G CA 1.124 46.357 45.100 0.221 0.000 0.766 459 G HN 0.612 nan 8.290 nan 0.000 0.552 460 A N 0.074 122.976 122.820 0.137 0.000 1.878 460 A HA 0.065 4.385 4.320 -0.000 0.000 0.213 460 A C 2.237 179.851 177.584 0.049 0.000 1.192 460 A CA 1.755 53.845 52.037 0.088 0.000 0.619 460 A CB -0.497 18.538 19.000 0.059 0.000 0.837 460 A HN 0.416 nan 8.150 nan 0.000 0.446 461 Q N -1.058 118.747 119.800 0.008 0.000 1.993 461 Q HA -0.107 4.233 4.340 -0.000 0.000 0.202 461 Q C -0.357 175.468 176.000 -0.291 0.000 0.984 461 Q CA 1.020 56.714 55.803 -0.182 0.000 0.837 461 Q CB -0.171 28.380 28.738 -0.312 0.000 0.902 461 Q HN 0.506 nan 8.270 nan 0.000 0.423 462 F N 1.005 120.992 119.950 0.061 0.000 2.375 462 F HA 0.234 4.761 4.527 -0.000 0.000 0.333 462 F C -0.044 175.798 175.800 0.069 0.000 1.104 462 F CA -0.725 57.312 58.000 0.061 0.000 1.149 462 F CB 0.707 39.743 39.000 0.061 0.000 1.190 462 F HN 0.002 nan 8.300 nan 0.000 0.533 463 N N 2.820 121.649 118.700 0.215 0.000 3.083 463 N HA 0.336 5.076 4.740 -0.000 0.000 0.260 463 N C -1.097 174.510 175.510 0.161 0.000 1.163 463 N CA -0.019 53.124 53.050 0.155 0.000 1.060 463 N CB 0.063 38.617 38.487 0.111 0.000 1.345 463 N HN 0.409 nan 8.380 nan 0.000 0.515 464 I N 2.750 123.431 120.570 0.185 0.000 2.412 464 I HA 0.298 4.468 4.170 -0.000 0.000 0.279 464 I C -2.171 174.073 176.117 0.212 0.000 1.063 464 I CA -2.023 59.384 61.300 0.178 0.000 1.193 464 I CB 0.892 38.999 38.000 0.178 0.000 1.370 464 I HN 0.132 nan 8.210 nan 0.000 0.479 465 P HA 0.330 nan 4.420 nan 0.000 0.288 465 P C -1.419 176.034 177.300 0.255 0.000 1.267 465 P CA -0.087 63.118 63.100 0.175 0.000 0.815 465 P CB 1.116 32.886 31.700 0.116 0.000 0.989 466 Y N 0.095 120.424 120.300 0.048 0.000 2.750 466 Y HA 0.642 5.192 4.550 -0.000 0.000 0.335 466 Y C -1.722 174.212 175.900 0.057 0.000 1.252 466 Y CA -1.411 56.697 58.100 0.014 0.000 1.064 466 Y CB 0.628 39.071 38.460 -0.028 0.000 1.321 466 Y HN 0.109 nan 8.280 nan 0.000 0.451 467 I N 2.047 122.579 120.570 -0.063 0.000 2.354 467 I HA 0.287 4.457 4.170 -0.000 0.000 0.292 467 I C -1.083 175.024 176.117 -0.016 0.000 0.989 467 I CA -0.516 60.739 61.300 -0.074 0.000 1.188 467 I CB 1.349 39.385 38.000 0.060 0.000 1.342 467 I HN 0.721 nan 8.210 nan 0.000 0.457 468 H N 5.401 124.411 119.070 -0.099 0.000 2.595 468 H HA 0.445 5.001 4.556 -0.000 0.000 0.313 468 H C -1.028 174.380 175.328 0.133 0.000 1.023 468 H CA -0.647 55.467 56.048 0.110 0.000 1.218 468 H CB 1.170 31.029 29.762 0.162 0.000 1.403 468 H HN 0.290 nan 8.280 nan 0.000 0.477 469 V N 6.627 126.736 119.914 0.324 0.000 2.432 469 V HA 0.049 4.169 4.120 -0.000 0.000 0.271 469 V C -0.265 175.975 176.094 0.243 0.000 1.046 469 V CA -0.493 61.988 62.300 0.302 0.000 0.945 469 V CB 0.694 32.723 31.823 0.343 0.000 0.992 469 V HN 0.487 nan 8.190 nan 0.000 0.471 470 L N 8.182 129.428 121.223 0.039 0.000 2.294 470 L HA 0.618 4.958 4.340 -0.000 0.000 0.283 470 L C -0.153 176.644 176.870 -0.121 0.000 1.015 470 L CA -0.267 54.477 54.840 -0.160 0.000 0.831 470 L CB 1.665 43.344 42.059 -0.633 0.000 1.217 470 L HN 0.537 nan 8.230 nan 0.000 0.420 471 V N 2.558 122.451 119.914 -0.035 0.000 2.348 471 V HA 0.591 4.711 4.120 -0.000 0.000 0.270 471 V C -0.284 175.815 176.094 0.009 0.000 1.037 471 V CA -0.491 61.798 62.300 -0.017 0.000 0.872 471 V CB 0.912 32.745 31.823 0.018 0.000 1.002 471 V HN 0.857 nan 8.190 nan 0.000 0.464 472 N N 4.873 123.581 118.700 0.013 0.000 2.469 472 N HA 0.381 5.121 4.740 -0.000 0.000 0.253 472 N C 0.235 175.886 175.510 0.233 0.000 0.970 472 N CA -0.385 52.732 53.050 0.112 0.000 0.940 472 N CB 1.460 40.016 38.487 0.115 0.000 1.128 472 N HN 0.908 nan 8.380 nan 0.000 0.503 473 N N 2.849 121.677 118.700 0.214 0.000 2.200 473 N HA 0.135 4.875 4.740 -0.000 0.000 0.224 473 N C 0.119 175.673 175.510 0.075 0.000 1.179 473 N CA 0.150 53.319 53.050 0.200 0.000 0.877 473 N CB 0.048 38.625 38.487 0.150 0.000 1.072 473 N HN 0.444 nan 8.380 nan 0.000 0.519 474 A N -0.664 122.190 122.820 0.056 0.000 2.704 474 A HA -0.244 4.076 4.320 -0.000 0.000 0.299 474 A C -0.902 176.589 177.584 -0.154 0.000 1.507 474 A CA 0.904 52.885 52.037 -0.093 0.000 0.776 474 A CB -2.599 16.159 19.000 -0.404 0.000 1.027 474 A HN 0.609 nan 8.150 nan 0.000 0.475 475 Y N -2.422 117.848 120.300 -0.051 0.000 2.552 475 Y HA 0.494 5.044 4.550 -0.000 0.000 0.337 475 Y C 0.329 176.166 175.900 -0.105 0.000 1.094 475 Y CA -1.017 57.030 58.100 -0.089 0.000 1.028 475 Y CB 1.365 39.777 38.460 -0.081 0.000 1.321 475 Y HN 0.194 nan 8.280 nan 0.000 0.456 476 L N 3.859 125.103 121.223 0.034 0.000 2.395 476 L HA 0.173 4.513 4.340 -0.000 0.000 0.268 476 L C 1.240 178.143 176.870 0.056 0.000 1.223 476 L CA 0.272 55.074 54.840 -0.064 0.000 1.093 476 L CB -0.330 41.584 42.059 -0.243 0.000 1.349 476 L HN 1.062 nan 8.230 nan 0.000 0.427 477 G N 2.220 111.055 108.800 0.059 0.000 2.459 477 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.217 477 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.217 477 G C 1.354 176.220 174.900 -0.057 0.000 1.183 477 G CA 0.480 45.562 45.100 -0.029 0.000 0.776 477 G HN 0.517 nan 8.290 nan 0.000 0.552 478 L N 0.826 122.042 121.223 -0.013 0.000 2.042 478 L HA -0.054 4.286 4.340 -0.000 0.000 0.210 478 L C 2.549 179.410 176.870 -0.015 0.000 1.076 478 L CA 1.425 56.256 54.840 -0.015 0.000 0.749 478 L CB -0.375 41.691 42.059 0.012 0.000 0.893 478 L HN 0.155 nan 8.230 nan 0.000 0.432 479 I N -0.523 120.046 120.570 -0.001 0.000 2.286 479 I HA -0.205 3.965 4.170 -0.000 0.000 0.245 479 I C 2.642 178.764 176.117 0.008 0.000 1.104 479 I CA 1.202 62.508 61.300 0.010 0.000 1.397 479 I CB -1.564 36.440 38.000 0.007 0.000 1.072 479 I HN 0.414 nan 8.210 nan 0.000 0.417 480 R N 1.099 121.593 120.500 -0.010 0.000 2.096 480 R HA -0.265 4.075 4.340 -0.000 0.000 0.240 480 R C 2.309 178.565 176.300 -0.075 0.000 1.139 480 R CA 2.206 58.283 56.100 -0.038 0.000 0.952 480 R CB -0.276 29.923 30.300 -0.168 0.000 0.854 480 R HN 0.458 nan 8.270 nan 0.000 0.436 481 Q N 0.148 119.880 119.800 -0.113 0.000 2.084 481 Q HA -0.145 4.195 4.340 -0.000 0.000 0.202 481 Q C 1.982 177.948 176.000 -0.056 0.000 0.978 481 Q CA 2.295 58.016 55.803 -0.138 0.000 0.844 481 Q CB -0.071 28.559 28.738 -0.180 0.000 0.898 481 Q HN 0.476 nan 8.270 nan 0.000 0.426 482 S N -0.575 115.126 115.700 0.000 0.000 2.447 482 S HA -0.153 4.317 4.470 -0.000 0.000 0.233 482 S C 1.640 176.331 174.600 0.151 0.000 1.006 482 S CA 1.023 59.264 58.200 0.069 0.000 0.957 482 S CB -0.151 63.097 63.200 0.080 0.000 0.773 482 S HN 0.470 nan 8.310 nan 0.000 0.507 483 Q N 0.360 120.237 119.800 0.129 0.000 2.472 483 Q HA 0.154 4.494 4.340 -0.000 0.000 0.208 483 Q C 2.176 178.285 176.000 0.182 0.000 0.958 483 Q CA 0.232 56.158 55.803 0.205 0.000 0.932 483 Q CB -0.052 28.764 28.738 0.130 0.000 1.007 483 Q HN 0.616 nan 8.270 nan 0.000 0.508 484 R N 0.369 120.921 120.500 0.087 0.000 2.091 484 R HA -0.150 4.190 4.340 -0.000 0.000 0.238 484 R C 2.237 178.561 176.300 0.041 0.000 1.136 484 R CA 1.358 57.486 56.100 0.045 0.000 0.959 484 R CB -0.382 29.917 30.300 -0.001 0.000 0.856 484 R HN 0.179 nan 8.270 nan 0.000 0.437 485 A N 0.320 123.149 122.820 0.015 0.000 2.024 485 A HA -0.130 4.190 4.320 -0.000 0.000 0.220 485 A C 1.484 178.905 177.584 -0.272 0.000 1.164 485 A CA 1.190 53.142 52.037 -0.143 0.000 0.643 485 A CB -0.416 18.441 19.000 -0.239 0.000 0.806 485 A HN 0.275 nan 8.150 nan 0.000 0.451 486 F N -0.423 119.534 119.950 0.012 0.000 2.693 486 F HA 0.219 4.746 4.527 -0.000 0.000 0.303 486 F C 0.700 176.500 175.800 0.001 0.000 1.097 486 F CA -0.007 57.997 58.000 0.007 0.000 1.330 486 F CB -0.178 38.829 39.000 0.011 0.000 1.067 486 F HN 0.246 nan 8.300 nan 0.000 0.565 490 Y N 3.070 123.390 120.300 0.034 0.000 2.332 490 Y HA 0.329 4.879 4.550 -0.000 0.000 0.325 490 Y C 0.362 176.256 175.900 -0.010 0.000 1.054 490 Y CA -0.696 57.407 58.100 0.006 0.000 1.119 490 Y CB 0.734 39.191 38.460 -0.004 0.000 1.168 490 Y HN 0.543 nan 8.280 nan 0.000 0.439 491 C N 3.534 122.583 119.300 -0.418 0.000 4.397 491 C HA -0.177 4.283 4.460 -0.000 0.000 0.291 491 C C 1.357 176.216 174.990 -0.218 0.000 1.408 491 C CA 1.046 59.826 59.018 -0.398 0.000 1.971 491 C CB -2.980 24.435 27.740 -0.540 0.000 1.258 491 C HN 0.987 nan 8.230 nan 0.000 0.795 492 V N -3.897 115.934 119.914 -0.139 0.000 3.432 492 V HA 0.255 4.375 4.120 -0.000 0.000 0.298 492 V C 0.654 176.636 176.094 -0.186 0.000 1.464 492 V CA 0.444 62.685 62.300 -0.099 0.000 1.046 492 V CB -0.048 31.815 31.823 0.066 0.000 0.887 492 V HN 0.648 nan 8.190 nan 0.000 0.441 493 Q N 0.584 120.198 119.800 -0.310 0.000 2.230 493 Q HA 0.615 4.955 4.340 -0.000 0.000 0.253 493 Q C -0.050 175.775 176.000 -0.291 0.000 0.919 493 Q CA -0.363 55.123 55.803 -0.529 0.000 0.908 493 Q CB 2.581 31.006 28.738 -0.521 0.000 1.245 493 Q HN 0.403 nan 8.270 nan 0.000 0.437 494 L N 0.863 121.934 121.223 -0.253 0.000 2.766 494 L HA 0.325 4.665 4.340 -0.000 0.000 0.242 494 L C 0.456 177.351 176.870 0.043 0.000 1.136 494 L CA -0.251 54.570 54.840 -0.032 0.000 0.933 494 L CB 0.646 42.735 42.059 0.051 0.000 1.241 494 L HN 0.568 nan 8.230 nan 0.000 0.522 495 A N 1.244 123.999 122.820 -0.109 0.000 2.425 495 A HA 0.527 4.847 4.320 -0.000 0.000 0.249 495 A C -0.508 177.133 177.584 0.096 0.000 1.084 495 A CA 0.134 52.097 52.037 -0.123 0.000 0.781 495 A CB -0.121 18.734 19.000 -0.241 0.000 1.019 495 A HN 0.294 nan 8.150 nan 0.000 0.490 496 F N -1.022 118.900 119.950 -0.047 0.000 2.713 496 F HA 0.544 5.071 4.527 -0.000 0.000 0.311 496 F C -0.534 175.268 175.800 0.003 0.000 1.141 496 F CA -1.157 56.827 58.000 -0.027 0.000 0.939 496 F CB 1.157 40.142 39.000 -0.025 0.000 1.325 496 F HN 0.363 nan 8.300 nan 0.000 0.453 497 E N 2.519 122.815 120.200 0.161 0.000 2.104 497 E HA 0.049 4.399 4.350 -0.000 0.000 0.278 497 E C -0.736 175.957 176.600 0.156 0.000 1.127 497 E CA -0.092 56.355 56.400 0.079 0.000 0.897 497 E CB 0.503 30.252 29.700 0.082 0.000 1.043 497 E HN 0.536 nan 8.360 nan 0.000 0.410 498 N N 3.889 122.589 118.700 0.000 0.000 2.431 498 N HA -0.022 4.718 4.740 -0.000 0.000 0.265 498 N C 1.272 176.835 175.510 0.088 0.000 1.184 498 N CA -0.025 53.075 53.050 0.083 0.000 0.943 498 N CB 0.468 38.920 38.487 -0.058 0.000 1.080 498 N HN 0.503 nan 8.380 nan 0.000 0.477 499 I N 0.895 121.538 120.570 0.121 0.000 2.916 499 I HA -0.096 4.074 4.170 -0.000 0.000 0.267 499 I C 0.154 176.300 176.117 0.050 0.000 1.263 499 I CA 1.051 62.395 61.300 0.073 0.000 1.471 499 I CB -0.153 37.887 38.000 0.066 0.000 1.089 499 I HN 0.323 nan 8.210 nan 0.000 0.468 500 N N 0.197 118.928 118.700 0.051 0.000 2.205 500 N HA 0.135 4.875 4.740 -0.000 0.000 0.201 500 N C -0.508 175.015 175.510 0.021 0.000 1.128 500 N CA -0.044 53.026 53.050 0.033 0.000 0.867 500 N CB 0.791 39.299 38.487 0.035 0.000 0.996 500 N HN 0.126 nan 8.380 nan 0.000 0.503 501 S N -0.564 115.146 115.700 0.017 0.000 2.571 501 S HA 0.194 4.664 4.470 -0.000 0.000 0.238 501 S C 0.244 174.843 174.600 -0.000 0.000 1.153 501 S CA -0.641 57.562 58.200 0.004 0.000 1.141 501 S CB 1.323 64.518 63.200 -0.008 0.000 1.133 501 S HN 0.031 nan 8.310 nan 0.000 0.464 502 S N 2.138 117.839 115.700 0.003 0.000 2.406 502 S HA -0.119 4.351 4.470 -0.000 0.000 0.228 502 S C 1.682 176.281 174.600 -0.002 0.000 1.020 502 S CA 1.104 59.304 58.200 -0.001 0.000 0.965 502 S CB -0.130 63.066 63.200 -0.007 0.000 0.798 502 S HN 0.725 nan 8.310 nan 0.000 0.488 503 E N 1.637 121.842 120.200 0.008 0.000 2.171 503 E HA -0.140 4.210 4.350 -0.000 0.000 0.197 503 E C 1.986 178.646 176.600 0.101 0.000 0.997 503 E CA 1.304 57.726 56.400 0.036 0.000 0.810 503 E CB -0.691 29.052 29.700 0.072 0.000 0.738 503 E HN 0.613 nan 8.360 nan 0.000 0.467 504 V N -1.537 118.409 119.914 0.052 0.000 3.573 504 V HA 0.015 4.135 4.120 -0.000 0.000 0.270 504 V C 0.140 176.254 176.094 0.034 0.000 1.221 504 V CA 0.178 62.491 62.300 0.023 0.000 1.163 504 V CB -0.719 31.082 31.823 -0.036 0.000 0.847 504 V HN 0.236 nan 8.190 nan 0.000 0.468 505 N N 1.258 119.986 118.700 0.046 0.000 2.725 505 N HA -0.208 4.532 4.740 -0.000 0.000 0.251 505 N C 1.093 176.701 175.510 0.163 0.000 1.031 505 N CA 1.244 54.343 53.050 0.081 0.000 0.720 505 N CB -1.515 37.017 38.487 0.076 0.000 0.930 505 N HN 1.384 nan 8.380 nan 0.000 0.543 506 G N -1.263 107.584 108.800 0.077 0.000 2.168 506 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.257 506 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.257 506 G C 0.510 175.416 174.900 0.009 0.000 0.997 506 G CA 0.598 45.711 45.100 0.022 0.000 0.708 506 G HN 0.520 nan 8.290 nan 0.000 0.520 507 Y N 0.333 120.533 120.300 -0.167 0.000 2.544 507 Y HA 0.340 4.890 4.550 -0.000 0.000 0.286 507 Y C 2.333 178.030 175.900 -0.337 0.000 1.141 507 Y CA 1.271 59.269 58.100 -0.170 0.000 1.299 507 Y CB 0.142 38.551 38.460 -0.085 0.000 1.030 507 Y HN 1.034 nan 8.280 nan 0.000 0.543 508 G N -0.438 108.056 108.800 -0.510 0.000 3.138 508 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.247 508 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.247 508 G C -0.432 173.961 174.900 -0.846 0.000 1.642 508 G CA -0.346 43.928 45.100 -1.376 0.000 1.087 508 G HN -0.053 nan 8.290 nan 0.000 0.558 509 V N 2.969 122.632 119.914 -0.419 0.000 2.655 509 V HA 0.366 4.486 4.120 -0.000 0.000 0.300 509 V C 0.335 176.189 176.094 -0.400 0.000 1.044 509 V CA 0.755 62.892 62.300 -0.272 0.000 1.095 509 V CB 1.543 33.217 31.823 -0.248 0.000 0.952 509 V HN 0.618 nan 8.190 nan 0.000 0.485 510 D N 3.282 123.539 120.400 -0.238 0.000 2.468 510 D HA 0.176 4.816 4.640 -0.000 0.000 0.218 510 D C 1.004 177.233 176.300 -0.119 0.000 1.155 510 D CA -0.159 53.746 54.000 -0.159 0.000 0.924 510 D CB 0.323 41.087 40.800 -0.061 0.000 1.029 510 D HN 0.645 nan 8.370 nan 0.000 0.515 511 H N 1.150 120.232 119.070 0.020 0.000 2.457 511 H HA -0.077 4.479 4.556 -0.000 0.000 0.294 511 H C 2.040 177.390 175.328 0.035 0.000 1.064 511 H CA 0.820 56.898 56.048 0.049 0.000 1.330 511 H CB 0.605 30.335 29.762 -0.053 0.000 1.395 511 H HN 0.222 nan 8.280 nan 0.000 0.541 512 V N 0.930 120.898 119.914 0.089 0.000 2.307 512 V HA -0.240 3.880 4.120 -0.000 0.000 0.245 512 V C 2.140 178.263 176.094 0.048 0.000 1.045 512 V CA 1.764 64.092 62.300 0.047 0.000 1.024 512 V CB -0.288 31.540 31.823 0.008 0.000 0.651 512 V HN 0.379 nan 8.190 nan 0.000 0.449 513 K N -0.337 120.085 120.400 0.036 0.000 2.057 513 K HA -0.129 4.191 4.320 -0.000 0.000 0.207 513 K C 2.063 178.692 176.600 0.049 0.000 1.049 513 K CA 1.393 57.699 56.287 0.032 0.000 0.931 513 K CB -0.350 32.163 32.500 0.022 0.000 0.714 513 K HN 0.338 nan 8.250 nan 0.000 0.440 514 V N 1.265 121.223 119.914 0.074 0.000 2.295 514 V HA -0.254 3.866 4.120 -0.000 0.000 0.246 514 V C 2.349 178.504 176.094 0.102 0.000 1.049 514 V CA 2.070 64.427 62.300 0.095 0.000 1.024 514 V CB -0.676 31.231 31.823 0.140 0.000 0.648 514 V HN 0.352 nan 8.190 nan 0.000 0.447 515 A N -0.454 122.446 122.820 0.134 0.000 1.902 515 A HA -0.235 4.085 4.320 -0.000 0.000 0.217 515 A C 2.185 179.808 177.584 0.065 0.000 1.181 515 A CA 1.872 53.981 52.037 0.121 0.000 0.623 515 A CB -0.450 18.640 19.000 0.150 0.000 0.818 515 A HN 0.623 nan 8.150 nan 0.000 0.443 516 E N -0.755 119.473 120.200 0.046 0.000 2.072 516 E HA -0.093 4.257 4.350 -0.000 0.000 0.191 516 E C 2.148 178.758 176.600 0.016 0.000 0.985 516 E CA 0.714 57.125 56.400 0.018 0.000 0.801 516 E CB -0.364 29.340 29.700 0.006 0.000 0.750 516 E HN 0.606 nan 8.360 nan 0.000 0.452 517 G N 1.145 109.960 108.800 0.025 0.000 2.450 517 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.220 517 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.220 517 G C 1.447 176.361 174.900 0.023 0.000 1.130 517 G CA 0.426 45.538 45.100 0.021 0.000 0.760 517 G HN 0.117 nan 8.290 nan 0.000 0.557 518 L N 0.304 121.546 121.223 0.032 0.000 2.610 518 L HA 0.256 4.596 4.340 -0.000 0.000 0.232 518 L C 1.993 178.881 176.870 0.030 0.000 1.149 518 L CA 0.518 55.377 54.840 0.032 0.000 0.872 518 L CB 0.071 42.153 42.059 0.037 0.000 0.992 518 L HN 0.391 nan 8.230 nan 0.000 0.447 519 G N -1.571 107.243 108.800 0.023 0.000 2.159 519 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.227 519 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.227 519 G C 0.156 175.067 174.900 0.019 0.000 0.986 519 G CA -0.160 44.950 45.100 0.017 0.000 0.651 519 G HN 0.299 nan 8.290 nan 0.000 0.523 520 C N 0.377 119.692 119.300 0.024 0.000 2.380 520 C HA 0.875 5.335 4.460 -0.000 0.000 0.393 520 C C 0.481 175.473 174.990 0.003 0.000 1.284 520 C CA -0.935 58.099 59.018 0.026 0.000 2.033 520 C CB 1.693 29.458 27.740 0.043 0.000 2.165 520 C HN 0.367 nan 8.230 nan 0.000 0.540 521 K N 0.725 121.128 120.400 0.005 0.000 2.156 521 K HA 0.802 5.122 4.320 -0.000 0.000 0.250 521 K C -0.675 175.932 176.600 0.013 0.000 0.955 521 K CA -0.012 56.271 56.287 -0.008 0.000 0.855 521 K CB 1.769 34.265 32.500 -0.006 0.000 1.101 521 K HN 0.863 nan 8.250 nan 0.000 0.434 522 A N 2.619 125.442 122.820 0.006 0.000 2.547 522 A HA 0.716 5.036 4.320 -0.000 0.000 0.297 522 A C -1.183 176.395 177.584 -0.010 0.000 1.056 522 A CA -0.711 51.330 52.037 0.006 0.000 0.688 522 A CB 0.922 19.933 19.000 0.017 0.000 1.282 522 A HN 0.601 nan 8.150 nan 0.000 0.400 523 I N 1.104 121.659 120.570 -0.025 0.000 2.582 523 I HA 0.560 4.730 4.170 -0.000 0.000 0.292 523 I C -0.016 176.044 176.117 -0.096 0.000 1.066 523 I CA -0.562 60.711 61.300 -0.046 0.000 1.053 523 I CB 2.300 40.277 38.000 -0.038 0.000 1.241 523 I HN 0.786 nan 8.210 nan 0.000 0.421 524 R N 4.905 125.334 120.500 -0.119 0.000 2.460 524 R HA 0.796 5.136 4.340 -0.000 0.000 0.303 524 R C -1.782 174.360 176.300 -0.264 0.000 0.968 524 R CA -0.459 55.503 56.100 -0.230 0.000 0.889 524 R CB 1.732 31.873 30.300 -0.264 0.000 1.123 524 R HN 0.475 nan 8.270 nan 0.000 0.455 525 V N 5.830 125.522 119.914 -0.371 0.000 2.531 525 V HA 0.349 4.469 4.120 -0.000 0.000 0.301 525 V C -0.375 175.476 176.094 -0.405 0.000 1.034 525 V CA -0.445 61.685 62.300 -0.283 0.000 0.865 525 V CB 1.546 33.232 31.823 -0.229 0.000 0.995 525 V HN 0.838 nan 8.190 nan 0.000 0.424 526 F N 1.853 121.741 119.950 -0.103 0.000 2.622 526 F HA 0.346 4.873 4.527 0.000 0.000 0.288 526 F C 1.134 176.885 175.800 -0.081 0.000 1.120 526 F CA 0.105 58.044 58.000 -0.102 0.000 1.423 526 F CB 0.531 39.473 39.000 -0.097 0.000 1.127 526 F HN 0.281 nan 8.300 nan 0.000 0.588 527 K N 0.282 120.737 120.400 0.093 0.000 2.259 527 K HA 0.293 4.613 4.320 -0.000 0.000 0.249 527 K C -2.099 174.495 176.600 -0.011 0.000 0.942 527 K CA -1.828 54.482 56.287 0.039 0.000 0.816 527 K CB 1.701 34.223 32.500 0.037 0.000 1.155 527 K HN -0.323 nan 8.250 nan 0.000 0.428 528 P HA -0.231 nan 4.420 nan 0.000 0.217 528 P C 0.893 178.173 177.300 -0.033 0.000 1.150 528 P CA 1.194 64.275 63.100 -0.032 0.000 0.832 528 P CB 0.214 31.898 31.700 -0.028 0.000 0.787 529 E N -0.282 119.906 120.200 -0.019 0.000 2.338 529 E HA -0.166 4.184 4.350 -0.000 0.000 0.197 529 E C 0.564 177.148 176.600 -0.027 0.000 1.007 529 E CA 1.088 57.482 56.400 -0.011 0.000 0.849 529 E CB -0.925 28.777 29.700 0.002 0.000 0.774 529 E HN 0.233 nan 8.360 nan 0.000 0.506 530 D N 0.718 121.093 120.400 -0.042 0.000 2.340 530 D HA 0.139 4.779 4.640 -0.000 0.000 0.220 530 D C 1.859 178.079 176.300 -0.132 0.000 1.039 530 D CA 0.102 54.064 54.000 -0.062 0.000 0.866 530 D CB 0.051 40.827 40.800 -0.041 0.000 0.913 530 D HN 0.306 nan 8.370 nan 0.000 0.523 531 I N 0.840 121.312 120.570 -0.164 0.000 2.233 531 I HA -0.184 3.986 4.170 -0.000 0.000 0.243 531 I C 2.465 178.359 176.117 -0.372 0.000 1.093 531 I CA 0.745 61.849 61.300 -0.327 0.000 1.380 531 I CB -0.154 37.684 38.000 -0.269 0.000 1.067 531 I HN -0.072 nan 8.210 nan 0.000 0.413 532 A N 1.570 124.305 122.820 -0.142 0.000 1.865 532 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 532 A C 0.089 177.651 177.584 -0.036 0.000 1.191 532 A CA 1.846 53.864 52.037 -0.032 0.000 0.623 532 A CB -2.040 16.970 19.000 0.017 0.000 0.826 532 A HN 0.267 nan 8.150 nan 0.000 0.444 533 P HA -0.105 nan 4.420 nan 0.000 0.216 533 P C 1.660 178.938 177.300 -0.037 0.000 1.150 533 P CA 1.825 64.909 63.100 -0.026 0.000 0.837 533 P CB -0.133 31.552 31.700 -0.026 0.000 0.786 534 A N -1.107 121.641 122.820 -0.120 0.000 1.902 534 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 534 A C 1.911 179.473 177.584 -0.037 0.000 1.181 534 A CA 1.449 53.406 52.037 -0.133 0.000 0.623 534 A CB -1.742 17.098 19.000 -0.266 0.000 0.818 534 A HN 0.048 nan 8.150 nan 0.000 0.443 535 F N 0.560 120.505 119.950 -0.008 0.000 2.171 535 F HA -0.090 4.437 4.527 -0.000 0.000 0.300 535 F C 2.468 178.270 175.800 0.003 0.000 1.090 535 F CA 1.201 59.195 58.000 -0.011 0.000 1.293 535 F CB -0.525 38.365 39.000 -0.183 0.000 1.013 535 F HN 0.229 nan 8.300 nan 0.000 0.486 536 E N -0.016 120.280 120.200 0.160 0.000 2.072 536 E HA -0.219 4.131 4.350 -0.000 0.000 0.191 536 E C 2.212 178.873 176.600 0.102 0.000 0.985 536 E CA 0.782 57.245 56.400 0.105 0.000 0.801 536 E CB -0.644 29.093 29.700 0.062 0.000 0.750 536 E HN 0.510 nan 8.360 nan 0.000 0.452 537 Q N 0.268 120.120 119.800 0.086 0.000 2.061 537 Q HA -0.175 4.165 4.340 -0.000 0.000 0.204 537 Q C 2.083 178.150 176.000 0.112 0.000 0.984 537 Q CA 1.684 57.536 55.803 0.081 0.000 0.846 537 Q CB -0.090 28.680 28.738 0.053 0.000 0.902 537 Q HN 0.232 nan 8.270 nan 0.000 0.421 538 A N 0.957 123.865 122.820 0.146 0.000 1.908 538 A HA -0.234 4.086 4.320 -0.000 0.000 0.218 538 A C 1.937 179.622 177.584 0.168 0.000 1.181 538 A CA 1.811 53.952 52.037 0.173 0.000 0.627 538 A CB -0.396 18.761 19.000 0.262 0.000 0.818 538 A HN 0.306 nan 8.150 nan 0.000 0.445 539 K N -0.336 120.172 120.400 0.180 0.000 2.103 539 K HA -0.072 4.248 4.320 -0.000 0.000 0.207 539 K C 2.276 178.942 176.600 0.110 0.000 1.048 539 K CA 1.177 57.554 56.287 0.150 0.000 0.930 539 K CB -0.319 32.270 32.500 0.148 0.000 0.716 539 K HN 0.463 nan 8.250 nan 0.000 0.444 540 A N 1.423 124.305 122.820 0.103 0.000 1.873 540 A HA -0.046 4.274 4.320 -0.000 0.000 0.215 540 A C 1.248 178.892 177.584 0.101 0.000 1.186 540 A CA 0.780 52.867 52.037 0.083 0.000 0.616 540 A CB -0.538 18.509 19.000 0.079 0.000 0.823 540 A HN 0.111 nan 8.150 nan 0.000 0.442 544 Q N -1.018 118.683 119.800 -0.166 0.000 2.089 544 Q HA 0.011 4.351 4.340 -0.000 0.000 0.195 544 Q C 1.437 177.131 176.000 -0.512 0.000 0.963 544 Q CA 1.867 57.415 55.803 -0.426 0.000 0.834 544 Q CB -0.087 28.214 28.738 -0.727 0.000 0.906 544 Q HN 0.744 nan 8.270 nan 0.000 0.452 545 Y N -0.350 119.970 120.300 0.034 0.000 2.510 545 Y HA 0.262 4.812 4.550 -0.000 0.000 0.273 545 Y C 0.196 176.119 175.900 0.038 0.000 1.119 545 Y CA -0.181 57.939 58.100 0.033 0.000 1.286 545 Y CB 0.765 39.244 38.460 0.030 0.000 1.061 545 Y HN -0.031 nan 8.280 nan 0.000 0.542 546 R N 0.218 120.795 120.500 0.129 0.000 3.423 546 R HA -0.121 4.219 4.340 -0.000 0.000 0.271 546 R C -0.953 175.423 176.300 0.126 0.000 1.093 546 R CA 0.784 56.946 56.100 0.104 0.000 0.730 546 R CB -2.656 27.691 30.300 0.079 0.000 1.190 546 R HN 0.293 nan 8.270 nan 0.000 0.437 547 V N -4.447 115.547 119.914 0.134 0.000 3.130 547 V HA 0.755 4.875 4.120 -0.000 0.000 0.310 547 V C -2.457 173.682 176.094 0.075 0.000 1.158 547 V CA -2.778 59.592 62.300 0.116 0.000 1.029 547 V CB 2.577 34.464 31.823 0.107 0.000 1.057 547 V HN -0.164 nan 8.190 nan 0.000 0.436 548 P HA 0.255 nan 4.420 nan 0.000 0.266 548 P C -0.789 176.456 177.300 -0.091 0.000 1.195 548 P CA 0.206 63.227 63.100 -0.130 0.000 0.768 548 P CB 0.583 32.218 31.700 -0.109 0.000 0.838 549 V N 4.492 124.324 119.914 -0.137 0.000 2.444 549 V HA 0.224 4.344 4.120 -0.000 0.000 0.294 549 V C 0.091 176.179 176.094 -0.010 0.000 1.022 549 V CA -0.705 61.580 62.300 -0.025 0.000 0.850 549 V CB 2.039 33.885 31.823 0.039 0.000 0.992 549 V HN 0.203 nan 8.190 nan 0.000 0.426 550 V N 5.594 125.524 119.914 0.027 0.000 2.407 550 V HA 0.384 4.504 4.120 -0.000 0.000 0.278 550 V C 0.014 176.124 176.094 0.027 0.000 1.037 550 V CA -0.471 61.855 62.300 0.045 0.000 0.900 550 V CB 1.772 33.616 31.823 0.035 0.000 0.983 550 V HN 0.613 nan 8.190 nan 0.000 0.459 551 V N 4.862 124.811 119.914 0.058 0.000 2.293 551 V HA 0.314 4.434 4.120 -0.000 0.000 0.275 551 V C 0.201 176.255 176.094 -0.067 0.000 1.021 551 V CA -0.478 61.832 62.300 0.016 0.000 0.815 551 V CB 1.216 33.109 31.823 0.116 0.000 1.025 551 V HN 0.944 nan 8.190 nan 0.000 0.448 552 E N 4.075 124.187 120.200 -0.147 0.000 2.200 552 E HA 0.479 4.829 4.350 -0.000 0.000 0.283 552 E C -1.226 175.237 176.600 -0.228 0.000 1.015 552 E CA -0.407 55.868 56.400 -0.208 0.000 0.819 552 E CB 1.595 31.166 29.700 -0.216 0.000 1.081 552 E HN 0.481 nan 8.360 nan 0.000 0.397 553 V N 6.245 126.039 119.914 -0.200 0.000 2.384 553 V HA 0.221 4.341 4.120 -0.000 0.000 0.287 553 V C 0.089 176.060 176.094 -0.206 0.000 1.020 553 V CA -0.890 61.282 62.300 -0.214 0.000 0.850 553 V CB 1.284 33.014 31.823 -0.155 0.000 0.987 553 V HN 0.662 nan 8.190 nan 0.000 0.436 554 I N 6.317 126.705 120.570 -0.304 0.000 2.406 554 I HA 0.228 4.398 4.170 -0.000 0.000 0.293 554 I C 0.266 176.328 176.117 -0.091 0.000 1.101 554 I CA 0.335 61.468 61.300 -0.279 0.000 1.334 554 I CB 0.153 37.838 38.000 -0.525 0.000 1.421 554 I HN 0.427 nan 8.210 nan 0.000 0.513 555 L N 5.698 126.946 121.223 0.042 0.000 2.439 555 L HA 0.308 4.648 4.340 -0.000 0.000 0.259 555 L C 1.034 178.000 176.870 0.160 0.000 1.129 555 L CA -0.876 54.007 54.840 0.072 0.000 0.803 555 L CB 0.602 42.702 42.059 0.068 0.000 1.161 555 L HN 0.599 nan 8.230 nan 0.000 0.462 556 E N 1.287 121.539 120.200 0.087 0.000 2.415 556 E HA 0.030 4.380 4.350 -0.000 0.000 0.262 556 E C 0.304 176.957 176.600 0.089 0.000 1.038 556 E CA -0.598 55.857 56.400 0.092 0.000 0.921 556 E CB 0.804 30.512 29.700 0.014 0.000 0.950 556 E HN 0.413 nan 8.360 nan 0.000 0.438 557 R N 1.723 122.275 120.500 0.087 0.000 2.081 557 R HA 0.003 4.343 4.340 -0.000 0.000 0.235 557 R C 0.251 176.528 176.300 -0.038 0.000 1.131 557 R CA 0.808 56.953 56.100 0.076 0.000 0.960 557 R CB -0.155 30.201 30.300 0.094 0.000 0.856 557 R HN 0.464 nan 8.270 nan 0.000 0.436 558 V N 1.784 121.639 119.914 -0.098 0.000 2.407 558 V HA 0.275 4.395 4.120 -0.000 0.000 0.291 558 V C -0.582 175.419 176.094 -0.154 0.000 1.018 558 V CA -0.481 61.693 62.300 -0.211 0.000 0.842 558 V CB 1.994 33.687 31.823 -0.217 0.000 0.996 558 V HN 0.132 nan 8.190 nan 0.000 0.426 559 T N 3.574 118.027 114.554 -0.167 0.000 2.928 559 T HA 0.400 4.750 4.350 -0.000 0.000 0.296 559 T C -0.474 174.123 174.700 -0.171 0.000 1.000 559 T CA -0.636 61.380 62.100 -0.140 0.000 0.989 559 T CB 1.094 69.902 68.868 -0.101 0.000 1.005 559 T HN 0.599 nan 8.240 nan 0.000 0.442 560 N N 2.813 121.390 118.700 -0.207 0.000 2.439 560 N HA 0.349 5.089 4.740 -0.000 0.000 0.249 560 N C -0.278 175.138 175.510 -0.157 0.000 1.003 560 N CA -0.706 52.128 53.050 -0.359 0.000 0.942 560 N CB 0.656 38.653 38.487 -0.818 0.000 1.115 560 N HN 0.426 nan 8.380 nan 0.000 0.505 561 I N 1.480 121.993 120.570 -0.094 0.000 2.581 561 I HA 0.134 4.304 4.170 -0.000 0.000 0.288 561 I C 1.200 177.406 176.117 0.148 0.000 1.047 561 I CA -0.073 61.252 61.300 0.041 0.000 1.374 561 I CB 1.115 39.126 38.000 0.019 0.000 1.423 561 I HN 0.449 nan 8.210 nan 0.000 0.549 565 S N -1.255 114.445 115.700 0.001 0.000 2.535 565 S HA 0.386 4.856 4.470 -0.000 0.000 0.214 565 S C 0.272 174.869 174.600 -0.006 0.000 0.980 565 S CA 0.395 58.594 58.200 -0.001 0.000 0.907 565 S CB 0.261 63.462 63.200 0.001 0.000 0.790 565 S HN 0.501 nan 8.310 nan 0.000 0.510 566 E N 0.264 120.457 120.200 -0.010 0.000 2.408 566 E HA 0.403 4.753 4.350 -0.000 0.000 0.275 566 E C 0.452 177.041 176.600 -0.017 0.000 0.935 566 E CA -0.637 55.758 56.400 -0.008 0.000 0.775 566 E CB 1.403 31.099 29.700 -0.005 0.000 1.277 566 E HN 0.066 nan 8.360 nan 0.000 0.455 567 L N 0.504 121.720 121.223 -0.011 0.000 2.079 567 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 567 L C 1.332 178.184 176.870 -0.030 0.000 1.081 567 L CA 1.839 56.664 54.840 -0.026 0.000 0.752 567 L CB -0.440 41.612 42.059 -0.012 0.000 0.896 567 L HN 0.515 nan 8.230 nan 0.000 0.433 568 D N -2.721 117.666 120.400 -0.021 0.000 2.336 568 D HA -0.083 4.557 4.640 -0.000 0.000 0.228 568 D C 0.972 177.255 176.300 -0.027 0.000 1.120 568 D CA 0.168 54.155 54.000 -0.022 0.000 0.839 568 D CB -0.175 40.615 40.800 -0.017 0.000 0.932 568 D HN 0.095 nan 8.370 nan 0.000 0.509 569 N N -0.441 118.240 118.700 -0.031 0.000 2.167 569 N HA 0.092 4.832 4.740 -0.000 0.000 0.234 569 N C -0.579 174.905 175.510 -0.044 0.000 1.312 569 N CA -0.129 52.900 53.050 -0.035 0.000 0.861 569 N CB 0.906 39.378 38.487 -0.026 0.000 1.217 569 N HN -0.060 nan 8.380 nan 0.000 0.504 573 F N 0.474 120.436 119.950 0.020 0.000 2.274 573 F HA 0.082 4.609 4.527 -0.000 0.000 0.288 573 F C 1.456 177.275 175.800 0.031 0.000 1.069 573 F CA 0.534 58.544 58.000 0.016 0.000 1.343 573 F CB 0.416 39.416 39.000 0.000 0.000 1.089 573 F HN 0.104 nan 8.300 nan 0.000 0.517 574 E N 0.959 121.308 120.200 0.249 0.000 2.342 574 E HA 0.057 4.407 4.350 -0.000 0.000 0.257 574 E C -0.712 176.008 176.600 0.200 0.000 1.150 574 E CA -0.329 56.185 56.400 0.190 0.000 0.926 574 E CB 0.296 30.097 29.700 0.169 0.000 1.074 574 E HN 0.022 nan 8.360 nan 0.000 0.449 575 D N 1.378 121.938 120.400 0.266 0.000 2.493 575 D HA 0.047 4.687 4.640 -0.000 0.000 0.240 575 D C 0.602 177.011 176.300 0.183 0.000 1.142 575 D CA 0.282 54.414 54.000 0.221 0.000 0.872 575 D CB 0.158 41.112 40.800 0.256 0.000 1.173 575 D HN 0.289 nan 8.370 nan 0.000 0.467 576 I N -1.195 119.447 120.570 0.120 0.000 3.276 576 I HA 0.643 4.813 4.170 -0.000 0.000 0.306 576 I C 0.004 176.175 176.117 0.090 0.000 1.060 576 I CA -0.861 60.500 61.300 0.103 0.000 1.133 576 I CB 0.929 38.973 38.000 0.074 0.000 1.473 576 I HN 0.282 nan 8.210 nan 0.000 0.649 577 A N 1.630 124.505 122.820 0.092 0.000 2.574 577 A HA 0.558 4.878 4.320 -0.000 0.000 0.297 577 A C -1.034 176.606 177.584 0.093 0.000 1.062 577 A CA -0.337 51.748 52.037 0.081 0.000 0.686 577 A CB 1.423 20.478 19.000 0.092 0.000 1.285 577 A HN 0.865 nan 8.150 nan 0.000 0.403 578 D N 0.275 120.716 120.400 0.069 0.000 2.540 578 D HA 0.138 4.778 4.640 -0.000 0.000 0.229 578 D C -0.092 176.240 176.300 0.054 0.000 1.250 578 D CA 0.073 54.115 54.000 0.071 0.000 0.817 578 D CB 0.114 40.941 40.800 0.045 0.000 1.060 578 D HN 0.526 nan 8.370 nan 0.000 0.508 579 N N -0.726 117.989 118.700 0.026 0.000 2.732 579 N HA 0.376 5.116 4.740 -0.000 0.000 0.259 579 N C 0.252 175.655 175.510 -0.179 0.000 1.402 579 N CA -0.430 52.560 53.050 -0.101 0.000 0.829 579 N CB 1.414 39.829 38.487 -0.119 0.000 1.495 579 N HN -0.108 nan 8.380 nan 0.000 0.511 580 A N 0.191 122.683 122.820 -0.547 0.000 2.066 580 A HA 0.235 4.555 4.320 -0.000 0.000 0.218 580 A C 2.094 179.548 177.584 -0.218 0.000 1.157 580 A CA 1.603 53.284 52.037 -0.593 0.000 0.670 580 A CB -0.941 17.388 19.000 -1.118 0.000 0.804 580 A HN 0.863 nan 8.150 nan 0.000 0.453 581 A N 0.252 122.951 122.820 -0.202 0.000 1.940 581 A HA -0.213 4.107 4.320 -0.000 0.000 0.219 581 A C 1.729 179.238 177.584 -0.124 0.000 1.176 581 A CA 1.878 53.817 52.037 -0.163 0.000 0.631 581 A CB -0.403 18.515 19.000 -0.135 0.000 0.814 581 A HN 0.484 nan 8.150 nan 0.000 0.446 582 D N -0.931 119.431 120.400 -0.062 0.000 2.271 582 D HA 0.222 4.862 4.640 -0.000 0.000 0.206 582 D C 0.752 177.082 176.300 0.050 0.000 0.967 582 D CA 1.186 55.171 54.000 -0.024 0.000 0.867 582 D CB 0.131 40.910 40.800 -0.036 0.000 0.960 582 D HN 0.365 nan 8.370 nan 0.000 0.509 583 A N 1.539 124.424 122.820 0.108 0.000 3.258 583 A HA 0.320 4.640 4.320 -0.000 0.000 0.318 583 A C -1.942 175.826 177.584 0.306 0.000 0.990 583 A CA -0.885 51.284 52.037 0.221 0.000 0.885 583 A CB 0.882 20.044 19.000 0.269 0.000 1.090 583 A HN -0.133 nan 8.150 nan 0.000 0.479 584 P HA -0.061 nan 4.420 nan 0.000 0.233 584 P C 1.011 178.486 177.300 0.292 0.000 1.167 584 P CA 1.434 64.657 63.100 0.205 0.000 0.770 584 P CB -0.023 31.710 31.700 0.055 0.000 0.837 585 T N -4.328 110.418 114.554 0.321 0.000 3.134 585 T HA 0.154 4.504 4.350 -0.000 0.000 0.260 585 T C 0.551 175.509 174.700 0.429 0.000 1.027 585 T CA -0.361 61.955 62.100 0.361 0.000 0.913 585 T CB -0.328 68.777 68.868 0.395 0.000 1.046 585 T HN -0.117 nan 8.240 nan 0.000 0.553 586 E N 2.522 122.890 120.200 0.279 0.000 2.413 586 E HA 0.060 4.410 4.350 -0.000 0.000 0.263 586 E C 1.495 178.017 176.600 -0.131 0.000 1.015 586 E CA 0.411 56.801 56.400 -0.017 0.000 0.916 586 E CB 1.375 30.842 29.700 -0.389 0.000 0.947 586 E HN 0.555 nan 8.360 nan 0.000 0.440 587 T N -1.288 113.086 114.554 -0.300 0.000 2.929 587 T HA -0.182 4.168 4.350 -0.000 0.000 0.271 587 T C 1.895 176.541 174.700 -0.090 0.000 1.085 587 T CA 0.915 62.952 62.100 -0.105 0.000 1.125 587 T CB -0.309 68.419 68.868 -0.233 0.000 0.874 587 T HN 0.553 nan 8.240 nan 0.000 0.494 588 C N 0.205 119.319 119.300 -0.310 0.000 2.448 588 C HA 0.346 4.806 4.460 -0.000 0.000 0.280 588 C C 0.923 175.904 174.990 -0.015 0.000 1.398 588 C CA -0.694 58.171 59.018 -0.254 0.000 1.774 588 C CB -1.587 25.881 27.740 -0.453 0.000 1.888 588 C HN 0.568 nan 8.230 nan 0.000 0.519 592 Y N 4.212 124.154 120.300 -0.596 0.000 2.404 592 Y HA 0.320 4.870 4.550 -0.000 0.000 0.344 592 Y C 0.885 176.391 175.900 -0.656 0.000 0.970 592 Y CA 0.524 58.293 58.100 -0.552 0.000 1.180 592 Y CB 0.741 38.740 38.460 -0.768 0.000 1.138 592 Y HN 0.943 nan 8.280 nan 0.000 0.510 593 E N 0.000 120.027 120.200 -0.288 0.000 2.725 593 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 593 E CA 0.000 56.304 56.400 -0.161 0.000 0.976 593 E CB 0.000 29.629 29.700 -0.118 0.000 0.812 593 E HN 0.000 nan 8.360 nan 0.000 0.440