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 2wqd_1_A DATA FIRST_RESID 2 DATA SEQUENCE SKLIKGIAAS DGVAIAKAYL LVEPDLTFDK NEKVTDVEGE VAKFNSAIEA DATA SEQUENCE SKVELTKIRN NAEVQLGADK AAIFDAHLLV LDDPELIQPI QDKIKNENAN DATA SEQUENCE AATALTDVTT QFVTIFESMD NEYMKERAAD IRDVSKRVLS HILGVELPNP DATA SEQUENCE SMIDESVVIV GNDLTPSDTA QLNKEFVQGF ATNIGGRTSA SAIMSRSLEI DATA SEQUENCE PAIVGTKSIT QEVKQGDMII VDGLNGDVIV NPTEDELIAY QDKRERYFAD DATA SEQUENCE KKELQKLRDA DTVTVDGVHA ELAANIGTPN DLPGVIENGA QGIGLYRTEF DATA SEQUENCE LYMGRDQMPT EEEQFEAYKE VLEAMGGKRV VVRTLDIGGD KELSYLNLPE DATA SEQUENCE EMNPFLGYRA IRLSLAQQDI FRPQLRALLR ASVYGKLNIM FPMVATINEF DATA SEQUENCE REAKAILLEE KENLKNEGHD ISDDIELGIM VEIPATAALA DVFAKEVDFF DATA SEQUENCE SIGTNDLIQY TLAADRMSER VSYLYQPYNP SILRLVKQVI EASHKEGKWT DATA SEQUENCE GMCGEMAGDE TAIPLLLGLG LDEFSMSATS ILKARRQING LSKNEMTELA DATA SEQUENCE NRAVDCATQE EVIELVNNYV 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 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.603 174.600 0.006 0.000 1.055 2 S CA 0.000 58.206 58.200 0.010 0.000 1.107 2 S CB 0.000 63.205 63.200 0.008 0.000 0.593 3 K N 0.902 121.302 120.400 -0.000 0.000 2.619 3 K HA 0.510 4.843 4.320 0.023 0.000 0.251 3 K C -2.151 174.442 176.600 -0.011 0.000 0.987 3 K CA -0.224 56.060 56.287 -0.004 0.000 0.844 3 K CB 2.645 35.141 32.500 -0.006 0.000 1.237 3 K HN 0.166 nan 8.250 nan 0.000 0.447 4 L N 5.330 126.550 121.223 -0.004 0.000 2.305 4 L HA 0.524 4.878 4.340 0.023 0.000 0.284 4 L C -1.071 175.794 176.870 -0.008 0.000 1.013 4 L CA -0.767 54.069 54.840 -0.008 0.000 0.819 4 L CB 0.738 42.802 42.059 0.008 0.000 1.227 4 L HN 0.512 nan 8.230 nan 0.000 0.417 5 I N 4.677 125.238 120.570 -0.016 0.000 2.382 5 I HA 0.327 4.511 4.170 0.023 0.000 0.285 5 I C -0.039 176.071 176.117 -0.012 0.000 1.007 5 I CA -0.808 60.485 61.300 -0.011 0.000 1.142 5 I CB 1.409 39.401 38.000 -0.012 0.000 1.289 5 I HN 0.509 nan 8.210 nan 0.000 0.453 6 K N 4.232 124.629 120.400 -0.005 0.000 2.237 6 K HA 0.702 5.035 4.320 0.023 0.000 0.270 6 K C 0.034 176.632 176.600 -0.004 0.000 1.015 6 K CA -0.055 56.230 56.287 -0.004 0.000 0.949 6 K CB 1.257 33.759 32.500 0.003 0.000 0.976 6 K HN 0.855 nan 8.250 nan 0.000 0.472 7 G N 1.786 110.582 108.800 -0.007 0.000 2.682 7 G HA2 0.393 4.366 3.960 0.023 0.000 0.303 7 G HA3 0.393 4.366 3.960 0.023 0.000 0.303 7 G C -1.483 173.413 174.900 -0.005 0.000 1.341 7 G CA -0.791 44.306 45.100 -0.005 0.000 0.784 7 G HN 0.420 nan 8.290 nan 0.000 0.497 8 I N 1.896 122.464 120.570 -0.003 0.000 2.301 8 I HA 0.442 4.625 4.170 0.023 0.000 0.292 8 I C 1.098 177.203 176.117 -0.019 0.000 1.046 8 I CA -0.924 60.375 61.300 -0.001 0.000 1.282 8 I CB 0.410 38.416 38.000 0.011 0.000 1.409 8 I HN 0.607 nan 8.210 nan 0.000 0.484 9 A N 5.157 127.963 122.820 -0.024 0.000 2.524 9 A HA 0.452 4.786 4.320 0.023 0.000 0.250 9 A C 0.943 178.503 177.584 -0.039 0.000 1.078 9 A CA 0.379 52.389 52.037 -0.046 0.000 0.761 9 A CB 0.259 19.236 19.000 -0.038 0.000 1.012 9 A HN 0.921 nan 8.150 nan 0.000 0.500 10 A N 1.976 124.755 122.820 -0.069 0.000 2.419 10 A HA 0.583 4.917 4.320 0.023 0.000 0.233 10 A C 0.700 178.251 177.584 -0.055 0.000 1.217 10 A CA 0.763 52.773 52.037 -0.045 0.000 0.944 10 A CB 0.215 19.195 19.000 -0.032 0.000 1.025 10 A HN 1.252 nan 8.150 nan 0.000 0.524 11 S N 0.375 116.018 115.700 -0.095 0.000 2.563 11 S HA 0.413 4.896 4.470 0.023 0.000 0.279 11 S C -2.062 172.469 174.600 -0.114 0.000 1.155 11 S CA -0.837 57.311 58.200 -0.087 0.000 0.928 11 S CB 0.829 63.965 63.200 -0.107 0.000 1.107 11 S HN 0.228 nan 8.310 nan 0.000 0.462 12 D N 1.742 122.096 120.400 -0.076 0.000 2.360 12 D HA 0.653 5.306 4.640 0.023 0.000 0.242 12 D C 0.872 176.977 176.300 -0.325 0.000 1.184 12 D CA 1.270 55.201 54.000 -0.115 0.000 0.930 12 D CB 0.914 41.737 40.800 0.039 0.000 1.161 12 D HN 1.062 nan 8.370 nan 0.000 0.447 13 G N -1.556 106.832 108.800 -0.687 0.000 2.515 13 G HA2 0.120 4.093 3.960 0.023 0.000 0.686 13 G HA3 0.120 4.093 3.960 0.023 0.000 0.686 13 G C -1.512 173.020 174.900 -0.614 0.000 1.274 13 G CA -0.797 43.577 45.100 -1.211 0.000 0.874 13 G HN 0.439 nan 8.290 nan 0.000 0.631 14 V N 0.797 120.410 119.914 -0.500 0.000 2.409 14 V HA 0.748 4.882 4.120 0.023 0.000 0.290 14 V C 0.695 176.727 176.094 -0.103 0.000 1.017 14 V CA -0.019 62.162 62.300 -0.198 0.000 0.841 14 V CB 1.020 32.810 31.823 -0.056 0.000 1.003 14 V HN 1.982 nan 8.190 nan 0.000 0.426 15 A N 6.346 129.109 122.820 -0.095 0.000 2.305 15 A HA 0.927 5.261 4.320 0.023 0.000 0.322 15 A C -0.579 176.989 177.584 -0.027 0.000 1.187 15 A CA -0.457 51.557 52.037 -0.039 0.000 0.825 15 A CB 0.640 19.614 19.000 -0.043 0.000 1.164 15 A HN 0.794 nan 8.150 nan 0.000 0.498 16 I N 1.872 122.447 120.570 0.009 0.000 2.517 16 I HA 0.583 4.767 4.170 0.023 0.000 0.280 16 I C 0.068 176.201 176.117 0.026 0.000 1.061 16 I CA 0.076 61.381 61.300 0.009 0.000 1.091 16 I CB 1.444 39.462 38.000 0.029 0.000 1.205 16 I HN 0.828 nan 8.210 nan 0.000 0.459 17 A N 5.599 128.434 122.820 0.025 0.000 2.564 17 A HA 0.617 4.950 4.320 0.023 0.000 0.291 17 A C -1.137 176.474 177.584 0.044 0.000 1.102 17 A CA -0.888 51.175 52.037 0.042 0.000 0.660 17 A CB 1.563 20.598 19.000 0.059 0.000 1.283 17 A HN 0.633 nan 8.150 nan 0.000 0.430 18 K N 0.688 121.122 120.400 0.057 0.000 2.258 18 K HA 0.626 4.960 4.320 0.023 0.000 0.264 18 K C 0.157 176.806 176.600 0.083 0.000 1.007 18 K CA 0.327 56.650 56.287 0.060 0.000 0.941 18 K CB 1.015 33.553 32.500 0.064 0.000 0.966 18 K HN 1.280 nan 8.250 nan 0.000 0.480 19 A N 3.179 126.042 122.820 0.071 0.000 2.451 19 A HA 0.124 4.457 4.320 0.023 0.000 0.266 19 A C -1.322 176.337 177.584 0.126 0.000 1.119 19 A CA -0.376 51.712 52.037 0.084 0.000 0.786 19 A CB -0.369 18.656 19.000 0.041 0.000 1.061 19 A HN 0.718 nan 8.150 nan 0.000 0.503 20 Y N 3.633 123.950 120.300 0.028 0.000 2.342 20 Y HA 0.521 5.084 4.550 0.022 0.000 0.338 20 Y C -0.916 174.996 175.900 0.020 0.000 0.965 20 Y CA -1.000 57.112 58.100 0.021 0.000 1.159 20 Y CB 0.894 39.368 38.460 0.024 0.000 1.157 20 Y HN 0.505 nan 8.280 nan 0.000 0.486 21 L N 7.048 128.028 121.223 -0.406 0.000 2.290 21 L HA 0.225 4.578 4.340 0.023 0.000 0.284 21 L C -0.556 176.079 176.870 -0.392 0.000 1.078 21 L CA -0.317 54.355 54.840 -0.281 0.000 0.815 21 L CB 0.956 42.894 42.059 -0.203 0.000 1.162 21 L HN 0.648 nan 8.230 nan 0.000 0.435 22 L N 6.109 127.252 121.223 -0.133 0.000 2.401 22 L HA 0.246 4.599 4.340 0.023 0.000 0.283 22 L C 0.037 176.869 176.870 -0.062 0.000 1.151 22 L CA -0.172 54.638 54.840 -0.050 0.000 0.942 22 L CB 0.293 42.381 42.059 0.048 0.000 1.283 22 L HN 0.431 nan 8.230 nan 0.000 0.442 23 V N 2.115 121.971 119.914 -0.097 0.000 2.572 23 V HA 0.382 4.516 4.120 0.023 0.000 0.291 23 V C 0.413 176.490 176.094 -0.028 0.000 1.039 23 V CA -0.644 61.617 62.300 -0.065 0.000 1.055 23 V CB 0.432 32.209 31.823 -0.077 0.000 0.969 23 V HN 0.585 nan 8.190 nan 0.000 0.482 24 E N 4.373 124.561 120.200 -0.019 0.000 2.250 24 E HA 0.534 4.897 4.350 0.023 0.000 0.265 24 E C -2.352 174.244 176.600 -0.006 0.000 1.033 24 E CA -1.930 54.466 56.400 -0.006 0.000 0.888 24 E CB 0.774 30.474 29.700 0.001 0.000 1.151 24 E HN 0.681 nan 8.360 nan 0.000 0.412 25 P HA 0.068 nan 4.420 nan 0.000 0.272 25 P C -0.425 176.882 177.300 0.012 0.000 1.230 25 P CA -0.188 62.911 63.100 -0.002 0.000 0.788 25 P CB 0.489 32.184 31.700 -0.007 0.000 0.949 26 D N 1.970 122.379 120.400 0.016 0.000 2.441 26 D HA 0.080 4.734 4.640 0.023 0.000 0.221 26 D C 0.321 176.655 176.300 0.058 0.000 1.156 26 D CA -0.097 53.922 54.000 0.031 0.000 0.896 26 D CB 0.239 41.054 40.800 0.025 0.000 1.028 26 D HN 0.287 nan 8.370 nan 0.000 0.509 27 L N 2.894 124.164 121.223 0.079 0.000 2.645 27 L HA 0.096 4.449 4.340 0.023 0.000 0.234 27 L C 0.937 177.959 176.870 0.253 0.000 1.165 27 L CA -0.010 54.912 54.840 0.136 0.000 0.944 27 L CB -0.156 41.976 42.059 0.122 0.000 1.149 27 L HN 0.163 nan 8.230 nan 0.000 0.446 28 T N 1.710 116.366 114.554 0.169 0.000 2.919 28 T HA 0.388 4.752 4.350 0.023 0.000 0.302 28 T C -0.353 174.502 174.700 0.258 0.000 1.031 28 T CA 0.225 62.403 62.100 0.131 0.000 1.127 28 T CB 0.478 69.368 68.868 0.035 0.000 0.952 28 T HN 0.242 nan 8.240 nan 0.000 0.540 29 F N -0.309 119.645 119.950 0.007 0.000 2.741 29 F HA 0.534 5.074 4.527 0.022 0.000 0.311 29 F C -1.201 174.602 175.800 0.005 0.000 1.149 29 F CA -1.660 56.345 58.000 0.008 0.000 0.930 29 F CB 0.854 39.862 39.000 0.014 0.000 1.312 29 F HN 0.296 nan 8.300 nan 0.000 0.450 30 D N 2.266 122.738 120.400 0.120 0.000 2.339 30 D HA 0.255 4.909 4.640 0.023 0.000 0.256 30 D C -0.672 175.658 176.300 0.050 0.000 1.214 30 D CA 0.090 54.099 54.000 0.016 0.000 0.877 30 D CB 0.862 41.700 40.800 0.064 0.000 1.111 30 D HN 0.533 nan 8.370 nan 0.000 0.478 31 K N 2.364 122.690 120.400 -0.124 0.000 2.168 31 K HA 0.262 4.596 4.320 0.023 0.000 0.258 31 K C 0.684 177.302 176.600 0.030 0.000 1.010 31 K CA -0.370 55.890 56.287 -0.045 0.000 0.929 31 K CB 0.102 32.517 32.500 -0.143 0.000 0.998 31 K HN 0.469 nan 8.250 nan 0.000 0.479 32 N N 0.411 119.148 118.700 0.062 0.000 2.696 32 N HA -0.261 4.493 4.740 0.023 0.000 0.249 32 N C -0.909 174.624 175.510 0.038 0.000 1.090 32 N CA 0.449 53.523 53.050 0.039 0.000 0.716 32 N CB -0.541 37.953 38.487 0.013 0.000 1.020 32 N HN 0.614 nan 8.380 nan 0.000 0.548 33 E N 1.746 121.983 120.200 0.062 0.000 2.070 33 E HA 0.024 4.388 4.350 0.023 0.000 0.282 33 E C -0.303 176.322 176.600 0.041 0.000 1.104 33 E CA -0.510 55.921 56.400 0.051 0.000 0.876 33 E CB 0.484 30.227 29.700 0.072 0.000 1.055 33 E HN -0.019 nan 8.360 nan 0.000 0.401 34 K N 3.127 123.543 120.400 0.027 0.000 2.447 34 K HA 0.053 4.386 4.320 0.023 0.000 0.281 34 K C 0.100 176.712 176.600 0.020 0.000 1.031 34 K CA -0.093 56.206 56.287 0.019 0.000 1.019 34 K CB 0.648 33.156 32.500 0.013 0.000 0.918 34 K HN 0.413 nan 8.250 nan 0.000 0.476 35 V N 0.553 120.478 119.914 0.017 0.000 2.649 35 V HA 0.181 4.315 4.120 0.023 0.000 0.292 35 V C 1.134 177.236 176.094 0.013 0.000 1.055 35 V CA -0.395 61.914 62.300 0.016 0.000 1.023 35 V CB 1.189 33.020 31.823 0.014 0.000 0.992 35 V HN 0.721 nan 8.190 nan 0.000 0.480 36 T N 1.766 116.328 114.554 0.014 0.000 2.814 36 T HA -0.006 4.357 4.350 0.023 0.000 0.254 36 T C 0.558 175.264 174.700 0.011 0.000 1.037 36 T CA 1.539 63.646 62.100 0.012 0.000 1.143 36 T CB -0.185 68.690 68.868 0.012 0.000 0.866 36 T HN 0.922 nan 8.240 nan 0.000 0.431 37 D N 1.323 121.731 120.400 0.013 0.000 2.412 37 D HA 0.299 4.952 4.640 0.023 0.000 0.224 37 D C 0.958 177.267 176.300 0.014 0.000 1.093 37 D CA -0.321 53.687 54.000 0.013 0.000 0.850 37 D CB 1.233 42.041 40.800 0.014 0.000 1.046 37 D HN -0.109 nan 8.370 nan 0.000 0.507 38 V N 3.943 123.865 119.914 0.012 0.000 2.283 38 V HA -0.156 3.977 4.120 0.023 0.000 0.243 38 V C 1.958 178.063 176.094 0.017 0.000 1.039 38 V CA 1.391 63.697 62.300 0.011 0.000 1.016 38 V CB -0.441 31.387 31.823 0.008 0.000 0.650 38 V HN 0.481 nan 8.190 nan 0.000 0.449 39 E N 0.858 121.069 120.200 0.018 0.000 2.153 39 E HA -0.112 4.251 4.350 0.023 0.000 0.194 39 E C 2.213 178.829 176.600 0.027 0.000 0.988 39 E CA 1.259 57.672 56.400 0.022 0.000 0.811 39 E CB -0.806 28.905 29.700 0.018 0.000 0.746 39 E HN 0.577 nan 8.360 nan 0.000 0.466 40 G N 0.354 109.168 108.800 0.023 0.000 2.404 40 G HA2 -0.303 3.670 3.960 0.023 0.000 0.215 40 G HA3 -0.303 3.670 3.960 0.023 0.000 0.215 40 G C 1.630 176.551 174.900 0.035 0.000 1.174 40 G CA 0.795 45.910 45.100 0.025 0.000 0.780 40 G HN 0.246 nan 8.290 nan 0.000 0.537 41 E N 0.117 120.338 120.200 0.034 0.000 2.110 41 E HA -0.069 4.295 4.350 0.023 0.000 0.193 41 E C 2.641 179.285 176.600 0.073 0.000 0.988 41 E CA 0.716 57.141 56.400 0.042 0.000 0.804 41 E CB -0.288 29.426 29.700 0.024 0.000 0.745 41 E HN 0.196 nan 8.360 nan 0.000 0.458 42 V N 0.599 120.554 119.914 0.068 0.000 2.343 42 V HA -0.265 3.868 4.120 0.023 0.000 0.247 42 V C 2.309 178.485 176.094 0.137 0.000 1.051 42 V CA 1.865 64.231 62.300 0.109 0.000 1.036 42 V CB -0.873 30.994 31.823 0.073 0.000 0.654 42 V HN 0.440 nan 8.190 nan 0.000 0.451 43 A N -0.412 122.455 122.820 0.078 0.000 1.969 43 A HA -0.219 4.114 4.320 0.023 0.000 0.218 43 A C 2.323 179.932 177.584 0.041 0.000 1.169 43 A CA 1.918 53.984 52.037 0.049 0.000 0.635 43 A CB -0.450 18.566 19.000 0.027 0.000 0.810 43 A HN 0.529 nan 8.150 nan 0.000 0.445 44 K N -1.238 119.198 120.400 0.060 0.000 2.032 44 K HA -0.201 4.133 4.320 0.023 0.000 0.209 44 K C 1.780 178.425 176.600 0.076 0.000 1.048 44 K CA 1.919 58.240 56.287 0.056 0.000 0.927 44 K CB -0.359 32.178 32.500 0.062 0.000 0.712 44 K HN 0.426 nan 8.250 nan 0.000 0.441 45 F N 1.829 121.767 119.950 -0.020 0.000 2.186 45 F HA -0.086 4.454 4.527 0.022 0.000 0.299 45 F C 1.440 177.224 175.800 -0.027 0.000 1.090 45 F CA 1.715 59.701 58.000 -0.023 0.000 1.307 45 F CB -0.333 38.655 39.000 -0.020 0.000 1.019 45 F HN 0.156 nan 8.300 nan 0.000 0.489 46 N N -0.791 117.826 118.700 -0.138 0.000 2.188 46 N HA -0.198 4.556 4.740 0.023 0.000 0.184 46 N C 2.025 177.395 175.510 -0.234 0.000 1.018 46 N CA 1.040 53.949 53.050 -0.235 0.000 0.858 46 N CB -0.290 38.165 38.487 -0.054 0.000 0.989 46 N HN 0.257 nan 8.380 nan 0.000 0.426 47 S N 0.868 116.477 115.700 -0.152 0.000 2.356 47 S HA -0.104 4.380 4.470 0.023 0.000 0.223 47 S C 2.095 176.563 174.600 -0.220 0.000 1.032 47 S CA 1.192 59.308 58.200 -0.141 0.000 1.005 47 S CB -0.279 62.874 63.200 -0.078 0.000 0.867 47 S HN 0.401 nan 8.310 nan 0.000 0.449 48 A N 2.043 124.722 122.820 -0.236 0.000 1.917 48 A HA -0.081 4.253 4.320 0.023 0.000 0.219 48 A C 2.078 179.427 177.584 -0.391 0.000 1.182 48 A CA 1.678 53.538 52.037 -0.295 0.000 0.633 48 A CB -0.772 18.137 19.000 -0.152 0.000 0.819 48 A HN 0.573 nan 8.150 nan 0.000 0.448 49 I N 0.052 120.366 120.570 -0.428 0.000 2.179 49 I HA -0.181 4.003 4.170 0.023 0.000 0.242 49 I C 2.416 178.380 176.117 -0.256 0.000 1.088 49 I CA 1.436 62.517 61.300 -0.365 0.000 1.357 49 I CB -1.524 36.217 38.000 -0.431 0.000 1.051 49 I HN 0.345 nan 8.210 nan 0.000 0.409 50 E N 0.991 121.051 120.200 -0.234 0.000 2.077 50 E HA -0.131 4.233 4.350 0.023 0.000 0.193 50 E C 2.336 178.822 176.600 -0.191 0.000 0.989 50 E CA 1.417 57.715 56.400 -0.171 0.000 0.800 50 E CB -0.372 29.247 29.700 -0.134 0.000 0.746 50 E HN 0.457 nan 8.360 nan 0.000 0.452 51 A N 1.030 123.678 122.820 -0.287 0.000 1.902 51 A HA -0.168 4.165 4.320 0.023 0.000 0.217 51 A C 2.529 179.909 177.584 -0.340 0.000 1.181 51 A CA 1.942 53.767 52.037 -0.352 0.000 0.623 51 A CB -0.557 18.098 19.000 -0.575 0.000 0.818 51 A HN 0.195 nan 8.150 nan 0.000 0.443 52 S N -0.701 114.760 115.700 -0.398 0.000 2.355 52 S HA -0.143 4.341 4.470 0.023 0.000 0.222 52 S C 2.010 176.583 174.600 -0.045 0.000 1.031 52 S CA 1.552 59.682 58.200 -0.116 0.000 0.993 52 S CB -0.245 62.920 63.200 -0.058 0.000 0.859 52 S HN 0.668 nan 8.310 nan 0.000 0.453 53 K N 0.898 121.250 120.400 -0.080 0.000 2.063 53 K HA -0.106 4.228 4.320 0.023 0.000 0.208 53 K C 2.081 178.663 176.600 -0.030 0.000 1.048 53 K CA 1.445 57.706 56.287 -0.042 0.000 0.928 53 K CB -0.415 32.049 32.500 -0.060 0.000 0.713 53 K HN 0.216 nan 8.250 nan 0.000 0.442 54 V N 1.284 121.169 119.914 -0.049 0.000 2.358 54 V HA -0.205 3.929 4.120 0.023 0.000 0.246 54 V C 1.579 177.659 176.094 -0.024 0.000 1.047 54 V CA 1.898 64.176 62.300 -0.037 0.000 1.035 54 V CB -0.234 31.562 31.823 -0.044 0.000 0.658 54 V HN 0.399 nan 8.190 nan 0.000 0.452 55 E N -0.001 120.194 120.200 -0.009 0.000 2.085 55 E HA -0.225 4.139 4.350 0.023 0.000 0.194 55 E C 2.117 178.713 176.600 -0.006 0.000 0.994 55 E CA 1.736 58.141 56.400 0.010 0.000 0.801 55 E CB -0.227 29.512 29.700 0.064 0.000 0.743 55 E HN 0.569 nan 8.360 nan 0.000 0.453 56 L N 0.795 122.027 121.223 0.014 0.000 2.313 56 L HA -0.085 4.269 4.340 0.023 0.000 0.214 56 L C 2.694 179.545 176.870 -0.030 0.000 1.119 56 L CA 1.190 56.043 54.840 0.021 0.000 0.809 56 L CB -0.519 41.602 42.059 0.103 0.000 0.933 56 L HN 0.313 nan 8.230 nan 0.000 0.449 57 T N -3.451 111.085 114.554 -0.030 0.000 2.857 57 T HA -0.087 4.276 4.350 0.023 0.000 0.266 57 T C 1.902 176.554 174.700 -0.079 0.000 1.048 57 T CA 0.369 62.443 62.100 -0.042 0.000 1.139 57 T CB -0.026 68.825 68.868 -0.028 0.000 0.874 57 T HN 0.089 nan 8.240 nan 0.000 0.455 58 K N 1.535 121.887 120.400 -0.081 0.000 2.002 58 K HA 0.052 4.386 4.320 0.023 0.000 0.209 58 K C 2.342 178.843 176.600 -0.164 0.000 1.048 58 K CA 0.887 57.116 56.287 -0.097 0.000 0.930 58 K CB -0.758 31.699 32.500 -0.072 0.000 0.714 58 K HN 0.350 nan 8.250 nan 0.000 0.438 59 I N 1.396 121.834 120.570 -0.220 0.000 2.194 59 I HA -0.250 3.933 4.170 0.023 0.000 0.246 59 I C 2.583 178.324 176.117 -0.626 0.000 1.093 59 I CA 1.303 62.358 61.300 -0.409 0.000 1.355 59 I CB -1.015 36.705 38.000 -0.466 0.000 1.046 59 I HN 0.270 nan 8.210 nan 0.000 0.413 60 R N 1.036 121.237 120.500 -0.497 0.000 2.056 60 R HA -0.169 4.185 4.340 0.023 0.000 0.227 60 R C 2.207 178.380 176.300 -0.211 0.000 1.149 60 R CA 1.693 57.554 56.100 -0.398 0.000 0.937 60 R CB -0.381 29.853 30.300 -0.109 0.000 0.835 60 R HN 0.273 nan 8.270 nan 0.000 0.430 61 N N 1.577 120.198 118.700 -0.133 0.000 2.166 61 N HA -0.171 4.583 4.740 0.023 0.000 0.186 61 N C 1.119 176.579 175.510 -0.083 0.000 1.019 61 N CA 1.609 54.612 53.050 -0.078 0.000 0.856 61 N CB -0.396 38.058 38.487 -0.055 0.000 0.993 61 N HN 0.413 nan 8.380 nan 0.000 0.426 62 N N 0.127 118.760 118.700 -0.112 0.000 2.398 62 N HA 0.085 4.839 4.740 0.023 0.000 0.188 62 N C 1.088 176.533 175.510 -0.108 0.000 1.122 62 N CA 0.529 53.523 53.050 -0.093 0.000 0.866 62 N CB -0.068 38.369 38.487 -0.084 0.000 0.970 62 N HN 0.125 nan 8.380 nan 0.000 0.462 63 A N 0.912 123.638 122.820 -0.157 0.000 1.855 63 A HA -0.054 4.280 4.320 0.023 0.000 0.213 63 A C 1.126 178.686 177.584 -0.040 0.000 1.195 63 A CA 0.670 52.630 52.037 -0.130 0.000 0.610 63 A CB -0.683 18.181 19.000 -0.227 0.000 0.837 63 A HN 0.658 nan 8.150 nan 0.000 0.444 64 E N -1.303 118.881 120.200 -0.027 0.000 2.397 64 E HA 0.374 4.738 4.350 0.023 0.000 0.254 64 E C 0.398 176.989 176.600 -0.016 0.000 1.231 64 E CA -0.070 56.328 56.400 -0.004 0.000 0.954 64 E CB 0.527 30.230 29.700 0.006 0.000 1.024 64 E HN 0.383 nan 8.360 nan 0.000 0.481 65 V N -0.930 118.979 119.914 -0.008 0.000 1.328 65 V HA -0.339 3.795 4.120 0.023 0.000 0.046 65 V C 1.552 177.640 176.094 -0.010 0.000 1.825 65 V CA 2.359 64.653 62.300 -0.010 0.000 2.663 65 V CB -1.564 30.250 31.823 -0.016 0.000 1.538 65 V HN 0.955 nan 8.190 nan 0.000 0.947 66 Q N -1.861 117.933 119.800 -0.011 0.000 2.288 66 Q HA 0.315 4.669 4.340 0.023 0.000 0.256 66 Q C 0.211 176.213 176.000 0.003 0.000 0.835 66 Q CA 0.883 56.681 55.803 -0.008 0.000 0.958 66 Q CB 1.544 30.271 28.738 -0.019 0.000 1.125 66 Q HN 0.713 nan 8.270 nan 0.000 0.513 67 L N 0.330 121.558 121.223 0.008 0.000 2.572 67 L HA 0.422 4.775 4.340 0.023 0.000 0.249 67 L C -0.982 175.904 176.870 0.028 0.000 1.114 67 L CA 0.959 55.811 54.840 0.020 0.000 0.933 67 L CB 0.985 43.060 42.059 0.028 0.000 1.131 67 L HN 0.220 nan 8.230 nan 0.000 0.507 68 G N 2.543 111.356 108.800 0.022 0.000 3.285 68 G HA2 0.182 4.155 3.960 0.023 0.000 0.685 68 G HA3 0.182 4.155 3.960 0.023 0.000 0.685 68 G C 0.536 175.452 174.900 0.027 0.000 0.938 68 G CA -0.107 45.008 45.100 0.024 0.000 0.778 68 G HN 1.529 nan 8.290 nan 0.000 0.515 69 A N 1.418 124.250 122.820 0.020 0.000 2.251 69 A HA 0.394 4.728 4.320 0.023 0.000 0.209 69 A C 1.740 179.341 177.584 0.029 0.000 1.187 69 A CA 1.655 53.704 52.037 0.020 0.000 0.823 69 A CB -0.033 18.974 19.000 0.011 0.000 0.846 69 A HN 1.104 nan 8.150 nan 0.000 0.486 70 D N -1.232 119.186 120.400 0.031 0.000 2.449 70 D HA 0.039 4.692 4.640 0.023 0.000 0.210 70 D C 1.301 177.627 176.300 0.042 0.000 1.094 70 D CA 0.344 54.362 54.000 0.031 0.000 0.846 70 D CB -0.182 40.629 40.800 0.019 0.000 1.003 70 D HN 0.321 nan 8.370 nan 0.000 0.504 71 K N 0.530 120.963 120.400 0.055 0.000 2.305 71 K HA 0.246 4.579 4.320 0.023 0.000 0.199 71 K C 1.801 178.475 176.600 0.123 0.000 1.047 71 K CA 0.788 57.115 56.287 0.067 0.000 0.976 71 K CB 0.138 32.682 32.500 0.072 0.000 0.765 71 K HN 0.157 nan 8.250 nan 0.000 0.474 72 A N 1.249 124.168 122.820 0.165 0.000 2.235 72 A HA 0.127 4.460 4.320 0.023 0.000 0.208 72 A C 2.114 179.844 177.584 0.243 0.000 1.172 72 A CA 0.929 53.155 52.037 0.315 0.000 0.786 72 A CB -0.453 18.647 19.000 0.167 0.000 0.804 72 A HN 0.279 nan 8.150 nan 0.000 0.479 73 A N 0.281 123.165 122.820 0.107 0.000 1.933 73 A HA -0.116 4.218 4.320 0.023 0.000 0.218 73 A C 1.952 179.548 177.584 0.020 0.000 1.175 73 A CA 1.595 53.670 52.037 0.063 0.000 0.628 73 A CB -0.478 18.544 19.000 0.038 0.000 0.814 73 A HN 0.639 nan 8.150 nan 0.000 0.444 74 I N -1.030 119.484 120.570 -0.093 0.000 2.264 74 I HA -0.224 3.959 4.170 0.023 0.000 0.248 74 I C 1.915 177.852 176.117 -0.300 0.000 1.111 74 I CA 1.399 62.558 61.300 -0.235 0.000 1.382 74 I CB -0.489 37.240 38.000 -0.452 0.000 1.060 74 I HN 0.314 nan 8.210 nan 0.000 0.418 75 F N 0.436 120.317 119.950 -0.115 0.000 2.259 75 F HA -0.120 4.420 4.527 0.023 0.000 0.298 75 F C 2.317 178.122 175.800 0.008 0.000 1.088 75 F CA 1.216 59.135 58.000 -0.135 0.000 1.358 75 F CB -0.884 38.041 39.000 -0.125 0.000 1.040 75 F HN 0.079 nan 8.300 nan 0.000 0.505 76 D N 0.280 120.787 120.400 0.179 0.000 2.263 76 D HA -0.119 4.535 4.640 0.023 0.000 0.208 76 D C 2.229 178.597 176.300 0.113 0.000 0.971 76 D CA 1.217 55.291 54.000 0.123 0.000 0.867 76 D CB -0.172 40.682 40.800 0.089 0.000 0.929 76 D HN 0.305 nan 8.370 nan 0.000 0.492 77 A N -0.228 122.665 122.820 0.122 0.000 2.021 77 A HA -0.093 4.241 4.320 0.023 0.000 0.216 77 A C 1.802 179.480 177.584 0.156 0.000 1.163 77 A CA 0.680 52.789 52.037 0.120 0.000 0.676 77 A CB -0.449 18.614 19.000 0.105 0.000 0.818 77 A HN 0.332 nan 8.150 nan 0.000 0.453 78 H N -0.665 118.410 119.070 0.007 0.000 2.372 78 H HA 0.089 4.658 4.556 0.022 0.000 0.301 78 H C 1.864 177.212 175.328 0.034 0.000 1.065 78 H CA 1.126 57.187 56.048 0.021 0.000 1.364 78 H CB 0.051 29.845 29.762 0.053 0.000 1.406 78 H HN 0.353 nan 8.280 nan 0.000 0.521 79 L N 0.691 122.022 121.223 0.181 0.000 2.141 79 L HA -0.173 4.180 4.340 0.023 0.000 0.209 79 L C 2.537 179.440 176.870 0.056 0.000 1.094 79 L CA 0.200 55.100 54.840 0.099 0.000 0.763 79 L CB -0.130 41.981 42.059 0.086 0.000 0.908 79 L HN 0.286 nan 8.230 nan 0.000 0.437 80 L N -0.315 120.941 121.223 0.056 0.000 2.046 80 L HA -0.174 4.180 4.340 0.023 0.000 0.208 80 L C 2.566 179.440 176.870 0.007 0.000 1.077 80 L CA 1.680 56.539 54.840 0.031 0.000 0.747 80 L CB -0.542 41.539 42.059 0.037 0.000 0.896 80 L HN 0.065 nan 8.230 nan 0.000 0.432 81 V N 0.257 120.167 119.914 -0.006 0.000 2.324 81 V HA -0.316 3.817 4.120 0.023 0.000 0.250 81 V C 2.580 178.661 176.094 -0.023 0.000 1.060 81 V CA 1.587 63.865 62.300 -0.037 0.000 1.042 81 V CB -0.508 31.272 31.823 -0.072 0.000 0.650 81 V HN 0.389 nan 8.190 nan 0.000 0.450 82 L N -0.209 121.010 121.223 -0.008 0.000 2.633 82 L HA -0.071 4.282 4.340 0.023 0.000 0.235 82 L C 1.318 178.178 176.870 -0.016 0.000 1.163 82 L CA 0.799 55.630 54.840 -0.016 0.000 0.859 82 L CB -0.310 41.737 42.059 -0.019 0.000 0.973 82 L HN 0.363 nan 8.230 nan 0.000 0.451 83 D N -1.781 118.615 120.400 -0.007 0.000 2.469 83 D HA 0.024 4.677 4.640 0.023 0.000 0.213 83 D C 0.112 176.412 176.300 -0.000 0.000 1.135 83 D CA 0.155 54.153 54.000 -0.003 0.000 0.834 83 D CB 0.335 41.136 40.800 0.002 0.000 1.009 83 D HN 0.036 nan 8.370 nan 0.000 0.507 84 D N 0.984 121.379 120.400 -0.009 0.000 2.352 84 D HA 0.105 4.759 4.640 0.023 0.000 0.245 84 D C -1.604 174.690 176.300 -0.010 0.000 1.224 84 D CA -2.039 51.951 54.000 -0.016 0.000 0.879 84 D CB 1.820 42.593 40.800 -0.045 0.000 1.057 84 D HN -0.111 nan 8.370 nan 0.000 0.491 85 P HA -0.155 nan 4.420 nan 0.000 0.218 85 P C 1.117 178.429 177.300 0.019 0.000 1.148 85 P CA 0.773 63.887 63.100 0.023 0.000 0.822 85 P CB 0.222 31.938 31.700 0.027 0.000 0.784 86 E N -0.255 119.944 120.200 -0.002 0.000 2.171 86 E HA -0.189 4.175 4.350 0.023 0.000 0.197 86 E C 1.531 178.082 176.600 -0.082 0.000 0.997 86 E CA 1.084 57.480 56.400 -0.007 0.000 0.810 86 E CB -0.367 29.319 29.700 -0.022 0.000 0.738 86 E HN 0.229 nan 8.360 nan 0.000 0.467 87 L N -0.101 121.035 121.223 -0.145 0.000 2.357 87 L HA 0.014 4.368 4.340 0.023 0.000 0.211 87 L C 2.201 179.077 176.870 0.011 0.000 1.075 87 L CA -0.158 54.563 54.840 -0.197 0.000 0.830 87 L CB -0.034 41.880 42.059 -0.243 0.000 0.996 87 L HN 0.139 nan 8.230 nan 0.000 0.467 88 I N -0.366 120.238 120.570 0.057 0.000 2.296 88 I HA -0.117 4.066 4.170 0.023 0.000 0.242 88 I C 2.580 178.764 176.117 0.112 0.000 1.087 88 I CA 0.983 62.374 61.300 0.152 0.000 1.393 88 I CB -1.180 36.917 38.000 0.162 0.000 1.093 88 I HN 0.292 nan 8.210 nan 0.000 0.421 89 Q N 0.735 120.583 119.800 0.080 0.000 2.096 89 Q HA -0.201 4.153 4.340 0.023 0.000 0.208 89 Q C -0.092 175.932 176.000 0.040 0.000 0.993 89 Q CA 2.053 57.892 55.803 0.060 0.000 0.862 89 Q CB -1.972 26.800 28.738 0.057 0.000 0.915 89 Q HN 0.404 nan 8.270 nan 0.000 0.416 90 P HA -0.096 nan 4.420 nan 0.000 0.218 90 P C 1.449 178.738 177.300 -0.018 0.000 1.149 90 P CA 0.915 64.046 63.100 0.052 0.000 0.817 90 P CB -0.143 31.644 31.700 0.145 0.000 0.785 91 I N -0.481 120.046 120.570 -0.071 0.000 2.202 91 I HA -0.212 3.972 4.170 0.023 0.000 0.242 91 I C 2.248 178.189 176.117 -0.294 0.000 1.091 91 I CA 1.721 62.866 61.300 -0.258 0.000 1.368 91 I CB -1.559 36.117 38.000 -0.540 0.000 1.058 91 I HN 0.100 nan 8.210 nan 0.000 0.410 92 Q N 0.655 120.333 119.800 -0.203 0.000 2.084 92 Q HA -0.208 4.146 4.340 0.023 0.000 0.202 92 Q C 1.897 177.859 176.000 -0.064 0.000 0.978 92 Q CA 1.570 57.307 55.803 -0.110 0.000 0.844 92 Q CB -0.130 28.616 28.738 0.014 0.000 0.898 92 Q HN 0.446 nan 8.270 nan 0.000 0.426 93 D N 0.720 121.097 120.400 -0.038 0.000 2.133 93 D HA -0.189 4.464 4.640 0.023 0.000 0.195 93 D C 1.666 177.945 176.300 -0.035 0.000 0.997 93 D CA 1.302 55.289 54.000 -0.022 0.000 0.840 93 D CB -0.119 40.678 40.800 -0.005 0.000 0.947 93 D HN 0.187 nan 8.370 nan 0.000 0.452 94 K N 0.461 120.828 120.400 -0.055 0.000 2.097 94 K HA -0.060 4.274 4.320 0.023 0.000 0.205 94 K C 2.191 178.757 176.600 -0.056 0.000 1.050 94 K CA 0.716 56.970 56.287 -0.054 0.000 0.938 94 K CB -0.105 32.356 32.500 -0.065 0.000 0.718 94 K HN 0.082 nan 8.250 nan 0.000 0.442 95 I N 1.146 121.668 120.570 -0.080 0.000 2.226 95 I HA -0.274 3.909 4.170 0.023 0.000 0.245 95 I C 2.205 178.302 176.117 -0.033 0.000 1.100 95 I CA 1.343 62.605 61.300 -0.064 0.000 1.374 95 I CB -0.177 37.771 38.000 -0.087 0.000 1.057 95 I HN 0.165 nan 8.210 nan 0.000 0.413 96 K N 0.874 121.257 120.400 -0.028 0.000 2.001 96 K HA -0.134 4.200 4.320 0.023 0.000 0.208 96 K C 1.846 178.440 176.600 -0.010 0.000 1.048 96 K CA 1.949 58.229 56.287 -0.012 0.000 0.932 96 K CB -0.297 32.199 32.500 -0.006 0.000 0.715 96 K HN 0.317 nan 8.250 nan 0.000 0.437 97 N N 0.589 119.281 118.700 -0.013 0.000 2.250 97 N HA -0.093 4.660 4.740 0.023 0.000 0.181 97 N C 1.215 176.719 175.510 -0.010 0.000 1.017 97 N CA 0.902 53.946 53.050 -0.009 0.000 0.866 97 N CB 0.211 38.692 38.487 -0.010 0.000 0.985 97 N HN 0.223 nan 8.380 nan 0.000 0.429 98 E N 0.177 120.369 120.200 -0.014 0.000 2.452 98 E HA 0.150 4.514 4.350 0.023 0.000 0.197 98 E C -0.361 176.235 176.600 -0.008 0.000 1.022 98 E CA -0.091 56.302 56.400 -0.011 0.000 0.890 98 E CB 0.128 29.820 29.700 -0.015 0.000 0.918 98 E HN 0.266 nan 8.360 nan 0.000 0.496 99 N N 0.451 119.146 118.700 -0.009 0.000 2.741 99 N HA -0.182 4.571 4.740 0.023 0.000 0.250 99 N C -0.422 175.087 175.510 -0.002 0.000 1.115 99 N CA 0.247 53.295 53.050 -0.004 0.000 0.724 99 N CB -0.794 37.693 38.487 0.001 0.000 1.090 99 N HN 0.139 nan 8.380 nan 0.000 0.558 100 A N 1.121 123.936 122.820 -0.009 0.000 2.371 100 A HA 0.398 4.732 4.320 0.023 0.000 0.257 100 A C 0.715 178.294 177.584 -0.008 0.000 1.089 100 A CA -0.288 51.748 52.037 -0.002 0.000 0.794 100 A CB 0.389 19.384 19.000 -0.007 0.000 1.029 100 A HN 0.475 nan 8.150 nan 0.000 0.488 101 N N 1.034 119.741 118.700 0.012 0.000 2.444 101 N HA 0.352 5.106 4.740 0.023 0.000 0.255 101 N C 0.896 176.380 175.510 -0.043 0.000 1.255 101 N CA 0.187 53.237 53.050 0.001 0.000 0.933 101 N CB 0.746 39.251 38.487 0.030 0.000 1.143 101 N HN 0.604 nan 8.380 nan 0.000 0.453 102 A N 1.248 124.036 122.820 -0.053 0.000 1.948 102 A HA -0.146 4.187 4.320 0.023 0.000 0.220 102 A C 2.203 179.707 177.584 -0.134 0.000 1.177 102 A CA 2.046 54.032 52.037 -0.085 0.000 0.636 102 A CB -1.540 17.487 19.000 0.045 0.000 0.815 102 A HN 0.905 nan 8.150 nan 0.000 0.449 103 A N -0.410 122.278 122.820 -0.220 0.000 1.902 103 A HA -0.098 4.236 4.320 0.023 0.000 0.217 103 A C 2.434 179.773 177.584 -0.408 0.000 1.181 103 A CA 2.531 54.243 52.037 -0.541 0.000 0.623 103 A CB -1.260 17.064 19.000 -1.126 0.000 0.818 103 A HN 0.731 nan 8.150 nan 0.000 0.443 104 T N -2.232 112.282 114.554 -0.067 0.000 2.851 104 T HA 0.199 4.563 4.350 0.023 0.000 0.262 104 T C 2.046 176.771 174.700 0.042 0.000 1.043 104 T CA 1.328 63.529 62.100 0.167 0.000 1.140 104 T CB -0.634 68.364 68.868 0.217 0.000 0.872 104 T HN 0.526 nan 8.240 nan 0.000 0.446 105 A N 1.668 124.465 122.820 -0.039 0.000 1.908 105 A HA 0.073 4.406 4.320 0.023 0.000 0.218 105 A C 2.328 179.854 177.584 -0.097 0.000 1.181 105 A CA 1.656 53.641 52.037 -0.087 0.000 0.627 105 A CB -0.952 17.950 19.000 -0.163 0.000 0.818 105 A HN 0.467 nan 8.150 nan 0.000 0.445 106 L N -0.348 120.808 121.223 -0.112 0.000 2.027 106 L HA -0.100 4.253 4.340 0.023 0.000 0.206 106 L C 2.470 179.353 176.870 0.021 0.000 1.074 106 L CA 2.830 57.643 54.840 -0.046 0.000 0.745 106 L CB -1.002 41.063 42.059 0.010 0.000 0.898 106 L HN 0.367 nan 8.230 nan 0.000 0.433 107 T N -0.314 114.262 114.554 0.036 0.000 2.652 107 T HA -0.180 4.184 4.350 0.023 0.000 0.267 107 T C 1.522 176.263 174.700 0.067 0.000 1.039 107 T CA 1.633 63.787 62.100 0.090 0.000 1.153 107 T CB -0.459 68.530 68.868 0.202 0.000 0.863 107 T HN 0.400 nan 8.240 nan 0.000 0.428 108 D N 0.779 121.209 120.400 0.050 0.000 2.104 108 D HA -0.072 4.581 4.640 0.023 0.000 0.194 108 D C 2.321 178.621 176.300 -0.000 0.000 0.994 108 D CA 0.804 54.814 54.000 0.016 0.000 0.830 108 D CB -0.643 40.158 40.800 0.002 0.000 0.959 108 D HN 0.194 nan 8.370 nan 0.000 0.452 109 V N 1.000 120.926 119.914 0.021 0.000 2.358 109 V HA -0.213 3.921 4.120 0.023 0.000 0.246 109 V C 2.517 178.712 176.094 0.168 0.000 1.047 109 V CA 1.864 64.205 62.300 0.069 0.000 1.035 109 V CB -0.791 31.111 31.823 0.132 0.000 0.658 109 V HN 0.219 nan 8.190 nan 0.000 0.452 110 T N -0.376 114.263 114.554 0.142 0.000 2.708 110 T HA -0.211 4.152 4.350 0.023 0.000 0.266 110 T C 1.978 176.734 174.700 0.094 0.000 1.037 110 T CA 2.184 64.373 62.100 0.149 0.000 1.146 110 T CB -0.446 68.483 68.868 0.101 0.000 0.865 110 T HN 0.529 nan 8.240 nan 0.000 0.435 111 T N 2.255 116.835 114.554 0.043 0.000 2.759 111 T HA -0.136 4.227 4.350 0.023 0.000 0.269 111 T C 2.160 176.828 174.700 -0.054 0.000 1.042 111 T CA 1.229 63.331 62.100 0.004 0.000 1.140 111 T CB -0.292 68.576 68.868 0.001 0.000 0.864 111 T HN 0.490 nan 8.240 nan 0.000 0.455 112 Q N -0.131 119.606 119.800 -0.105 0.000 1.993 112 Q HA -0.052 4.301 4.340 0.023 0.000 0.202 112 Q C 2.087 177.876 176.000 -0.352 0.000 0.984 112 Q CA 1.609 57.262 55.803 -0.250 0.000 0.837 112 Q CB -0.360 28.161 28.738 -0.362 0.000 0.902 112 Q HN 0.507 nan 8.270 nan 0.000 0.423 113 F N -0.150 119.657 119.950 -0.238 0.000 2.134 113 F HA -0.224 4.317 4.527 0.022 0.000 0.299 113 F C 2.317 177.790 175.800 -0.544 0.000 1.097 113 F CA 0.778 58.489 58.000 -0.480 0.000 1.264 113 F CB -0.285 38.556 39.000 -0.264 0.000 1.001 113 F HN -0.094 nan 8.300 nan 0.000 0.479 114 V N -0.591 119.311 119.914 -0.020 0.000 2.343 114 V HA -0.294 3.840 4.120 0.023 0.000 0.247 114 V C 2.212 178.291 176.094 -0.026 0.000 1.051 114 V CA 2.358 64.676 62.300 0.030 0.000 1.036 114 V CB -1.009 30.848 31.823 0.057 0.000 0.654 114 V HN 0.392 nan 8.190 nan 0.000 0.451 115 T N 0.454 114.961 114.554 -0.079 0.000 2.708 115 T HA -0.116 4.247 4.350 0.023 0.000 0.266 115 T C 1.887 176.538 174.700 -0.082 0.000 1.037 115 T CA 1.488 63.547 62.100 -0.068 0.000 1.146 115 T CB -0.210 68.610 68.868 -0.080 0.000 0.865 115 T HN 0.205 nan 8.240 nan 0.000 0.435 116 I N 0.733 121.190 120.570 -0.189 0.000 2.179 116 I HA -0.077 4.107 4.170 0.023 0.000 0.242 116 I C 2.122 178.235 176.117 -0.006 0.000 1.088 116 I CA 1.449 62.646 61.300 -0.172 0.000 1.357 116 I CB -1.293 36.504 38.000 -0.339 0.000 1.051 116 I HN 0.184 nan 8.210 nan 0.000 0.409 117 F N 1.376 121.353 119.950 0.045 0.000 2.163 117 F HA -0.080 4.461 4.527 0.023 0.000 0.297 117 F C 2.626 178.431 175.800 0.008 0.000 1.094 117 F CA 0.724 58.741 58.000 0.028 0.000 1.290 117 F CB -1.137 37.873 39.000 0.017 0.000 1.017 117 F HN 0.195 nan 8.300 nan 0.000 0.483 118 E N -0.321 119.984 120.200 0.174 0.000 2.107 118 E HA -0.070 4.293 4.350 0.023 0.000 0.191 118 E C 0.796 177.437 176.600 0.069 0.000 0.982 118 E CA 1.015 57.473 56.400 0.096 0.000 0.809 118 E CB -0.178 29.560 29.700 0.063 0.000 0.756 118 E HN 0.107 nan 8.360 nan 0.000 0.459 119 S N 1.100 116.835 115.700 0.057 0.000 4.069 119 S HA 0.258 4.741 4.470 0.023 0.000 0.192 119 S C -0.143 174.493 174.600 0.059 0.000 1.441 119 S CA 0.115 58.340 58.200 0.043 0.000 0.994 119 S CB -0.265 62.947 63.200 0.020 0.000 1.456 119 S HN 0.154 nan 8.310 nan 0.000 0.458 120 M N 1.754 121.398 119.600 0.072 0.000 2.274 120 M HA 0.193 4.687 4.480 0.023 0.000 0.272 120 M C -1.749 174.590 176.300 0.066 0.000 1.053 120 M CA -0.402 54.948 55.300 0.084 0.000 0.978 120 M CB 1.520 34.203 32.600 0.139 0.000 1.836 120 M HN -0.071 nan 8.290 nan 0.000 0.484 121 D N 3.510 123.942 120.400 0.053 0.000 2.885 121 D HA 0.148 4.801 4.640 0.023 0.000 0.234 121 D C -0.849 175.475 176.300 0.040 0.000 1.129 121 D CA 0.510 54.533 54.000 0.039 0.000 0.991 121 D CB -0.357 40.462 40.800 0.032 0.000 1.137 121 D HN 0.376 nan 8.370 nan 0.000 0.459 122 N N 0.910 119.637 118.700 0.046 0.000 2.336 122 N HA -0.008 4.746 4.740 0.023 0.000 0.290 122 N C 1.068 176.604 175.510 0.044 0.000 1.058 122 N CA -0.537 52.545 53.050 0.052 0.000 0.865 122 N CB 1.719 40.252 38.487 0.076 0.000 1.581 122 N HN -0.172 nan 8.380 nan 0.000 0.480 123 E N 2.849 123.077 120.200 0.046 0.000 2.031 123 E HA -0.265 4.099 4.350 0.023 0.000 0.193 123 E C 1.226 177.854 176.600 0.046 0.000 0.994 123 E CA 1.421 57.843 56.400 0.037 0.000 0.800 123 E CB -0.837 28.885 29.700 0.037 0.000 0.752 123 E HN 0.770 nan 8.360 nan 0.000 0.447 124 Y N 1.684 121.962 120.300 -0.036 0.000 2.165 124 Y HA -0.200 4.363 4.550 0.022 0.000 0.286 124 Y C 2.465 178.307 175.900 -0.096 0.000 1.155 124 Y CA 2.256 60.321 58.100 -0.059 0.000 1.164 124 Y CB -0.202 38.222 38.460 -0.059 0.000 0.978 124 Y HN -0.111 nan 8.280 nan 0.000 0.513 125 M N 0.512 120.006 119.600 -0.177 0.000 2.117 125 M HA -0.195 4.299 4.480 0.023 0.000 0.262 125 M C 1.957 178.133 176.300 -0.208 0.000 1.065 125 M CA 1.706 56.818 55.300 -0.313 0.000 1.114 125 M CB -1.034 31.518 32.600 -0.080 0.000 1.361 125 M HN 0.273 nan 8.290 nan 0.000 0.408 126 K N -0.219 120.129 120.400 -0.086 0.000 2.211 126 K HA -0.129 4.205 4.320 0.023 0.000 0.203 126 K C 1.898 178.448 176.600 -0.083 0.000 1.050 126 K CA 0.756 57.020 56.287 -0.037 0.000 0.945 126 K CB 0.007 32.502 32.500 -0.008 0.000 0.732 126 K HN 0.283 nan 8.250 nan 0.000 0.451 127 E N 0.645 120.753 120.200 -0.153 0.000 2.107 127 E HA -0.166 4.198 4.350 0.023 0.000 0.191 127 E C 1.995 178.463 176.600 -0.219 0.000 0.982 127 E CA 0.911 57.217 56.400 -0.158 0.000 0.809 127 E CB -0.046 29.568 29.700 -0.143 0.000 0.756 127 E HN 0.271 nan 8.360 nan 0.000 0.459 128 R N 0.930 121.201 120.500 -0.381 0.000 2.075 128 R HA -0.052 4.301 4.340 0.023 0.000 0.232 128 R C 2.239 178.447 176.300 -0.154 0.000 1.126 128 R CA 1.373 57.255 56.100 -0.363 0.000 0.963 128 R CB -0.207 29.722 30.300 -0.618 0.000 0.858 128 R HN 0.101 nan 8.270 nan 0.000 0.435 129 A N 0.998 123.791 122.820 -0.045 0.000 1.883 129 A HA -0.152 4.182 4.320 0.023 0.000 0.217 129 A C 2.436 180.023 177.584 0.006 0.000 1.186 129 A CA 1.851 53.941 52.037 0.088 0.000 0.624 129 A CB -1.015 18.073 19.000 0.146 0.000 0.822 129 A HN 0.574 nan 8.150 nan 0.000 0.444 130 A N 0.085 122.885 122.820 -0.033 0.000 1.908 130 A HA -0.219 4.115 4.320 0.023 0.000 0.218 130 A C 1.761 179.292 177.584 -0.088 0.000 1.181 130 A CA 2.015 54.029 52.037 -0.038 0.000 0.627 130 A CB -0.627 18.355 19.000 -0.030 0.000 0.818 130 A HN 0.505 nan 8.150 nan 0.000 0.445 131 D N 0.059 120.360 120.400 -0.164 0.000 2.097 131 D HA -0.100 4.553 4.640 0.023 0.000 0.197 131 D C 1.840 177.943 176.300 -0.329 0.000 0.984 131 D CA 1.173 54.941 54.000 -0.387 0.000 0.826 131 D CB -0.454 40.112 40.800 -0.390 0.000 0.973 131 D HN 0.526 nan 8.370 nan 0.000 0.460 132 I N 0.799 121.271 120.570 -0.163 0.000 2.335 132 I HA -0.253 3.930 4.170 0.023 0.000 0.251 132 I C 2.487 178.579 176.117 -0.042 0.000 1.129 132 I CA 0.969 62.222 61.300 -0.078 0.000 1.402 132 I CB -0.111 37.894 38.000 0.008 0.000 1.069 132 I HN -0.067 nan 8.210 nan 0.000 0.424 133 R N 0.614 121.094 120.500 -0.033 0.000 2.070 133 R HA -0.171 4.183 4.340 0.023 0.000 0.233 133 R C 1.980 178.277 176.300 -0.005 0.000 1.137 133 R CA 1.759 57.857 56.100 -0.003 0.000 0.945 133 R CB -0.412 29.892 30.300 0.006 0.000 0.845 133 R HN 0.342 nan 8.270 nan 0.000 0.430 134 D N 0.116 120.496 120.400 -0.033 0.000 2.104 134 D HA -0.146 4.507 4.640 0.023 0.000 0.194 134 D C 2.008 178.327 176.300 0.031 0.000 0.994 134 D CA 1.709 55.721 54.000 0.020 0.000 0.830 134 D CB -0.265 40.594 40.800 0.098 0.000 0.959 134 D HN 0.222 nan 8.370 nan 0.000 0.452 135 V N -0.092 119.801 119.914 -0.036 0.000 2.379 135 V HA -0.160 3.973 4.120 0.023 0.000 0.245 135 V C 2.400 178.518 176.094 0.041 0.000 1.044 135 V CA 1.951 64.260 62.300 0.015 0.000 1.036 135 V CB -0.910 30.892 31.823 -0.035 0.000 0.664 135 V HN 0.161 nan 8.190 nan 0.000 0.453 136 S N 1.092 116.812 115.700 0.032 0.000 2.359 136 S HA -0.268 4.216 4.470 0.023 0.000 0.224 136 S C 1.995 176.631 174.600 0.060 0.000 1.035 136 S CA 1.821 60.056 58.200 0.058 0.000 1.018 136 S CB -0.742 62.494 63.200 0.059 0.000 0.876 136 S HN 0.704 nan 8.310 nan 0.000 0.448 137 K N 1.196 121.626 120.400 0.050 0.000 2.032 137 K HA -0.118 4.216 4.320 0.023 0.000 0.209 137 K C 2.588 179.215 176.600 0.044 0.000 1.048 137 K CA 1.547 57.861 56.287 0.045 0.000 0.927 137 K CB -0.292 32.233 32.500 0.041 0.000 0.712 137 K HN 0.420 nan 8.250 nan 0.000 0.441 138 R N 1.150 121.688 120.500 0.062 0.000 2.080 138 R HA -0.146 4.207 4.340 0.023 0.000 0.236 138 R C 2.179 178.572 176.300 0.154 0.000 1.137 138 R CA 1.591 57.739 56.100 0.081 0.000 0.943 138 R CB -0.407 29.968 30.300 0.124 0.000 0.846 138 R HN -0.005 nan 8.270 nan 0.000 0.431 139 V N 1.759 121.764 119.914 0.152 0.000 2.287 139 V HA -0.276 3.857 4.120 0.023 0.000 0.248 139 V C 2.473 178.647 176.094 0.133 0.000 1.053 139 V CA 1.902 64.293 62.300 0.153 0.000 1.027 139 V CB -0.502 31.364 31.823 0.072 0.000 0.646 139 V HN 0.422 nan 8.190 nan 0.000 0.447 140 L N -0.305 120.966 121.223 0.080 0.000 2.046 140 L HA -0.200 4.154 4.340 0.023 0.000 0.208 140 L C 2.728 179.602 176.870 0.006 0.000 1.077 140 L CA 2.101 56.956 54.840 0.025 0.000 0.747 140 L CB -0.437 41.624 42.059 0.003 0.000 0.896 140 L HN 0.489 nan 8.230 nan 0.000 0.432 141 S N -0.945 114.751 115.700 -0.007 0.000 2.368 141 S HA -0.289 4.195 4.470 0.023 0.000 0.226 141 S C 1.949 176.491 174.600 -0.097 0.000 1.044 141 S CA 1.575 59.730 58.200 -0.074 0.000 1.062 141 S CB -0.408 62.707 63.200 -0.142 0.000 0.931 141 S HN 0.532 nan 8.310 nan 0.000 0.440 142 H N 0.575 119.637 119.070 -0.012 0.000 2.319 142 H HA -0.042 4.528 4.556 0.023 0.000 0.299 142 H C 2.304 177.620 175.328 -0.019 0.000 1.092 142 H CA 1.812 57.849 56.048 -0.018 0.000 1.302 142 H CB -0.539 29.204 29.762 -0.032 0.000 1.373 142 H HN 0.444 nan 8.280 nan 0.000 0.497 143 I N 0.852 121.483 120.570 0.103 0.000 2.286 143 I HA -0.242 3.942 4.170 0.023 0.000 0.248 143 I C 1.929 178.049 176.117 0.004 0.000 1.115 143 I CA 1.002 62.328 61.300 0.044 0.000 1.392 143 I CB -0.099 37.916 38.000 0.024 0.000 1.065 143 I HN 0.118 nan 8.210 nan 0.000 0.418 144 L N 0.426 121.641 121.223 -0.013 0.000 2.592 144 L HA 0.229 4.582 4.340 0.023 0.000 0.227 144 L C 1.243 178.117 176.870 0.007 0.000 1.127 144 L CA 0.195 55.030 54.840 -0.009 0.000 0.884 144 L CB -0.481 41.575 42.059 -0.006 0.000 1.065 144 L HN 0.432 nan 8.230 nan 0.000 0.457 145 G N 1.208 110.012 108.800 0.007 0.000 2.295 145 G HA2 -0.233 3.741 3.960 0.023 0.000 0.287 145 G HA3 -0.233 3.741 3.960 0.023 0.000 0.287 145 G C -0.301 174.592 174.900 -0.012 0.000 1.055 145 G CA 0.539 45.642 45.100 0.005 0.000 0.922 145 G HN 0.208 nan 8.290 nan 0.000 0.503 146 V N -1.331 118.561 119.914 -0.036 0.000 3.141 146 V HA 0.904 5.038 4.120 0.023 0.000 0.312 146 V C -0.657 175.384 176.094 -0.087 0.000 1.157 146 V CA -0.962 61.313 62.300 -0.042 0.000 1.041 146 V CB 2.295 34.105 31.823 -0.023 0.000 1.071 146 V HN 0.325 nan 8.190 nan 0.000 0.441 147 E N 1.804 121.962 120.200 -0.070 0.000 2.227 147 E HA 0.604 4.968 4.350 0.023 0.000 0.268 147 E C -0.830 175.730 176.600 -0.067 0.000 0.907 147 E CA -0.369 55.978 56.400 -0.088 0.000 0.786 147 E CB 1.842 31.507 29.700 -0.059 0.000 1.191 147 E HN 0.607 nan 8.360 nan 0.000 0.411 148 L N 2.941 124.118 121.223 -0.076 0.000 2.475 148 L HA 0.414 4.768 4.340 0.023 0.000 0.253 148 L C -1.778 175.083 176.870 -0.015 0.000 1.198 148 L CA -1.718 53.099 54.840 -0.039 0.000 0.814 148 L CB 0.049 42.088 42.059 -0.033 0.000 1.134 148 L HN 0.397 nan 8.230 nan 0.000 0.478 149 P HA 0.318 nan 4.420 nan 0.000 0.276 149 P C -1.418 175.897 177.300 0.025 0.000 1.261 149 P CA -0.383 62.731 63.100 0.023 0.000 0.800 149 P CB 0.747 32.466 31.700 0.031 0.000 1.066 150 N N -2.465 116.259 118.700 0.040 0.000 3.496 150 N HA 0.523 5.277 4.740 0.023 0.000 0.331 150 N C -2.935 172.576 175.510 0.002 0.000 1.532 150 N CA -1.183 51.876 53.050 0.015 0.000 0.863 150 N CB -0.769 37.717 38.487 -0.001 0.000 1.927 150 N HN 0.302 nan 8.380 nan 0.000 0.529 151 P HA 0.772 nan 4.420 nan 0.000 0.278 151 P C -0.516 176.725 177.300 -0.099 0.000 1.488 151 P CA 0.338 63.384 63.100 -0.089 0.000 1.100 151 P CB 0.338 31.991 31.700 -0.079 0.000 1.172 152 S N 0.774 116.398 115.700 -0.127 0.000 2.666 152 S HA 0.543 5.027 4.470 0.023 0.000 0.239 152 S C 1.214 175.694 174.600 -0.200 0.000 1.031 152 S CA 0.791 58.918 58.200 -0.122 0.000 1.015 152 S CB -0.222 62.937 63.200 -0.067 0.000 0.981 152 S HN 0.784 nan 8.310 nan 0.000 0.547 153 M N 0.984 120.403 119.600 -0.302 0.000 2.217 153 M HA 0.674 5.168 4.480 0.023 0.000 0.352 153 M C 1.425 177.283 176.300 -0.737 0.000 1.376 153 M CA 0.329 55.364 55.300 -0.442 0.000 1.107 153 M CB -1.544 30.762 32.600 -0.491 0.000 1.723 153 M HN 1.842 nan 8.290 nan 0.000 0.461 154 I N -0.344 119.716 120.570 -0.848 0.000 5.648 154 I HA 0.320 4.503 4.170 0.023 0.000 0.126 154 I C 0.815 176.675 176.117 -0.428 0.000 1.815 154 I CA 1.478 62.489 61.300 -0.482 0.000 2.037 154 I CB -2.849 34.997 38.000 -0.257 0.000 3.371 154 I HN 3.094 nan 8.210 nan 0.000 0.169 155 D N -1.403 118.586 120.400 -0.686 0.000 10.820 155 D HA 0.393 5.046 4.640 0.023 0.000 0.345 155 D C 0.004 176.258 176.300 -0.077 0.000 3.128 155 D CA 1.935 55.834 54.000 -0.168 0.000 2.682 155 D CB -0.868 39.938 40.800 0.011 0.000 1.197 155 D HN 2.508 nan 8.370 nan 0.000 0.939 156 E N -0.555 119.678 120.200 0.055 0.000 3.010 156 E HA 0.711 5.075 4.350 0.023 0.000 0.199 156 E C 0.363 177.123 176.600 0.267 0.000 0.698 156 E CA -0.200 56.324 56.400 0.206 0.000 1.360 156 E CB -0.026 29.759 29.700 0.140 0.000 1.860 156 E HN 0.573 nan 8.360 nan 0.000 0.376 157 S N 0.753 116.570 115.700 0.195 0.000 2.466 157 S HA 0.354 4.837 4.470 0.023 0.000 0.286 157 S C -0.184 174.483 174.600 0.111 0.000 1.221 157 S CA -0.488 57.794 58.200 0.138 0.000 1.091 157 S CB -0.587 62.660 63.200 0.078 0.000 0.956 157 S HN 0.368 nan 8.310 nan 0.000 0.501 158 V N 1.807 121.786 119.914 0.109 0.000 3.001 158 V HA 0.784 4.918 4.120 0.023 0.000 0.314 158 V C -0.467 175.692 176.094 0.107 0.000 1.099 158 V CA -0.912 61.452 62.300 0.105 0.000 0.989 158 V CB 1.935 33.823 31.823 0.108 0.000 1.040 158 V HN 0.354 nan 8.190 nan 0.000 0.434 159 V N 4.325 124.309 119.914 0.118 0.000 2.370 159 V HA 0.418 4.552 4.120 0.023 0.000 0.283 159 V C 0.078 176.277 176.094 0.174 0.000 1.023 159 V CA -0.539 61.835 62.300 0.122 0.000 0.857 159 V CB 1.341 33.209 31.823 0.074 0.000 0.985 159 V HN 0.717 nan 8.190 nan 0.000 0.443 160 I N 6.140 126.840 120.570 0.217 0.000 2.505 160 I HA 0.152 4.335 4.170 0.023 0.000 0.287 160 I C 0.111 176.359 176.117 0.217 0.000 1.104 160 I CA 0.465 61.918 61.300 0.255 0.000 1.387 160 I CB 0.864 39.000 38.000 0.227 0.000 1.404 160 I HN 0.220 nan 8.210 nan 0.000 0.528 161 V N 6.227 126.239 119.914 0.162 0.000 2.459 161 V HA 0.919 5.052 4.120 0.023 0.000 0.295 161 V C 0.493 176.630 176.094 0.071 0.000 1.029 161 V CA -0.294 62.068 62.300 0.103 0.000 0.874 161 V CB 1.572 33.431 31.823 0.059 0.000 0.985 161 V HN 1.033 nan 8.190 nan 0.000 0.438 162 G N 2.950 111.793 108.800 0.071 0.000 2.495 162 G HA2 0.287 4.260 3.960 0.023 0.000 0.294 162 G HA3 0.287 4.260 3.960 0.023 0.000 0.294 162 G C 0.016 174.944 174.900 0.047 0.000 1.397 162 G CA -0.149 44.978 45.100 0.044 0.000 0.790 162 G HN 0.500 nan 8.290 nan 0.000 0.486 163 N N -0.687 118.032 118.700 0.032 0.000 2.080 163 N HA 0.041 4.795 4.740 0.023 0.000 0.189 163 N C -0.053 175.482 175.510 0.043 0.000 1.036 163 N CA 1.929 54.999 53.050 0.032 0.000 0.846 163 N CB 0.232 38.732 38.487 0.022 0.000 1.015 163 N HN 0.581 nan 8.380 nan 0.000 0.423 164 D N -1.592 118.830 120.400 0.037 0.000 2.769 164 D HA 0.277 4.931 4.640 0.023 0.000 0.219 164 D C -1.730 174.574 176.300 0.007 0.000 1.245 164 D CA -0.459 53.563 54.000 0.037 0.000 0.801 164 D CB 0.966 41.786 40.800 0.034 0.000 1.598 164 D HN -0.031 nan 8.370 nan 0.000 0.485 165 L N 2.563 123.772 121.223 -0.022 0.000 2.257 165 L HA 0.378 4.732 4.340 0.023 0.000 0.290 165 L C 0.741 177.579 176.870 -0.052 0.000 1.044 165 L CA -0.440 54.343 54.840 -0.094 0.000 0.810 165 L CB 1.526 43.410 42.059 -0.292 0.000 1.193 165 L HN 0.425 nan 8.230 nan 0.000 0.425 166 T N 4.307 118.846 114.554 -0.024 0.000 2.898 166 T HA 0.142 4.505 4.350 0.023 0.000 0.301 166 T C -1.512 173.183 174.700 -0.009 0.000 1.049 166 T CA -1.281 60.824 62.100 0.008 0.000 1.095 166 T CB 1.208 70.103 68.868 0.045 0.000 0.976 166 T HN 0.361 nan 8.240 nan 0.000 0.539 167 P HA -0.079 nan 4.420 nan 0.000 0.220 167 P C 1.482 178.811 177.300 0.049 0.000 1.144 167 P CA 0.807 63.843 63.100 -0.107 0.000 0.800 167 P CB 0.114 31.606 31.700 -0.346 0.000 0.772 168 S N -1.267 114.512 115.700 0.131 0.000 2.414 168 S HA -0.101 4.382 4.470 0.023 0.000 0.227 168 S C 1.600 176.268 174.600 0.114 0.000 1.022 168 S CA 1.145 59.505 58.200 0.267 0.000 0.958 168 S CB -0.777 62.547 63.200 0.208 0.000 0.797 168 S HN -0.005 nan 8.310 nan 0.000 0.493 169 D N 1.260 121.686 120.400 0.043 0.000 2.103 169 D HA -0.052 4.602 4.640 0.023 0.000 0.199 169 D C 2.366 178.636 176.300 -0.049 0.000 0.978 169 D CA 1.929 55.920 54.000 -0.016 0.000 0.829 169 D CB -1.014 39.757 40.800 -0.048 0.000 0.981 169 D HN 0.665 nan 8.370 nan 0.000 0.464 170 T N -0.815 113.697 114.554 -0.071 0.000 2.833 170 T HA -0.051 4.312 4.350 0.023 0.000 0.269 170 T C 1.981 176.681 174.700 0.001 0.000 1.054 170 T CA 1.362 63.404 62.100 -0.097 0.000 1.135 170 T CB -0.315 68.495 68.868 -0.097 0.000 0.869 170 T HN 0.089 nan 8.240 nan 0.000 0.466 171 A N 1.060 123.922 122.820 0.070 0.000 2.167 171 A HA 0.112 4.445 4.320 0.023 0.000 0.214 171 A C 2.165 179.755 177.584 0.010 0.000 1.151 171 A CA 0.595 52.681 52.037 0.082 0.000 0.735 171 A CB -0.446 18.667 19.000 0.188 0.000 0.802 171 A HN 0.651 nan 8.150 nan 0.000 0.467 172 Q N -0.549 119.248 119.800 -0.004 0.000 2.319 172 Q HA 0.301 4.654 4.340 0.023 0.000 0.202 172 Q C -0.403 175.588 176.000 -0.015 0.000 0.896 172 Q CA -0.287 55.502 55.803 -0.023 0.000 0.942 172 Q CB 0.216 28.936 28.738 -0.030 0.000 1.083 172 Q HN 0.553 nan 8.270 nan 0.000 0.510 173 L N 2.077 123.294 121.223 -0.009 0.000 2.455 173 L HA 0.065 4.418 4.340 0.023 0.000 0.272 173 L C 0.226 177.120 176.870 0.039 0.000 1.174 173 L CA -0.240 54.603 54.840 0.005 0.000 0.869 173 L CB 0.162 42.225 42.059 0.008 0.000 1.130 173 L HN 0.054 nan 8.230 nan 0.000 0.474 174 N N 3.838 122.576 118.700 0.063 0.000 2.589 174 N HA 0.052 4.805 4.740 0.023 0.000 0.232 174 N C 0.955 176.534 175.510 0.116 0.000 1.015 174 N CA -0.489 52.625 53.050 0.107 0.000 0.931 174 N CB 0.846 39.444 38.487 0.185 0.000 1.150 174 N HN 0.440 nan 8.380 nan 0.000 0.512 175 K N 2.191 122.636 120.400 0.075 0.000 2.442 175 K HA -0.215 4.118 4.320 0.023 0.000 0.200 175 K C 0.987 177.594 176.600 0.011 0.000 1.045 175 K CA 1.084 57.407 56.287 0.061 0.000 0.937 175 K CB 0.142 32.676 32.500 0.057 0.000 0.757 175 K HN 0.657 nan 8.250 nan 0.000 0.474 176 E N 0.188 120.363 120.200 -0.043 0.000 2.106 176 E HA -0.133 4.231 4.350 0.023 0.000 0.192 176 E C 0.951 177.299 176.600 -0.420 0.000 0.984 176 E CA 1.052 57.292 56.400 -0.265 0.000 0.806 176 E CB 0.009 29.465 29.700 -0.406 0.000 0.750 176 E HN 0.463 nan 8.360 nan 0.000 0.458 177 F N -0.152 119.796 119.950 -0.004 0.000 2.514 177 F HA 0.152 4.693 4.527 0.023 0.000 0.281 177 F C 0.711 176.504 175.800 -0.010 0.000 1.060 177 F CA -0.343 57.647 58.000 -0.017 0.000 1.397 177 F CB 0.458 39.429 39.000 -0.048 0.000 1.129 177 F HN -0.255 nan 8.300 nan 0.000 0.620 178 V N 3.656 123.678 119.914 0.179 0.000 2.390 178 V HA -0.013 4.121 4.120 0.023 0.000 0.260 178 V C 0.857 177.018 176.094 0.112 0.000 1.043 178 V CA -0.061 62.312 62.300 0.123 0.000 1.047 178 V CB 0.222 32.111 31.823 0.111 0.000 1.066 178 V HN 0.284 nan 8.190 nan 0.000 0.481 179 Q N 3.400 123.258 119.800 0.097 0.000 2.167 179 Q HA 0.142 4.496 4.340 0.023 0.000 0.202 179 Q C 1.050 177.088 176.000 0.063 0.000 0.970 179 Q CA 1.128 56.976 55.803 0.074 0.000 0.855 179 Q CB 0.314 29.087 28.738 0.060 0.000 0.911 179 Q HN 0.931 nan 8.270 nan 0.000 0.438 180 G N -0.095 108.761 108.800 0.093 0.000 2.328 180 G HA2 0.405 4.379 3.960 0.023 0.000 0.295 180 G HA3 0.405 4.379 3.960 0.023 0.000 0.295 180 G C -1.747 173.252 174.900 0.164 0.000 1.413 180 G CA -0.662 44.477 45.100 0.065 0.000 0.817 180 G HN 0.106 nan 8.290 nan 0.000 0.546 181 F N -1.416 118.541 119.950 0.012 0.000 2.613 181 F HA 0.956 5.497 4.527 0.023 0.000 0.314 181 F C -0.192 175.614 175.800 0.011 0.000 1.075 181 F CA -1.412 56.601 58.000 0.023 0.000 0.945 181 F CB 2.007 41.028 39.000 0.035 0.000 1.310 181 F HN 1.174 nan 8.300 nan 0.000 0.467 182 A N 1.388 124.322 122.820 0.189 0.000 2.408 182 A HA 0.774 5.107 4.320 0.023 0.000 0.295 182 A C -0.764 176.911 177.584 0.152 0.000 1.040 182 A CA -0.284 51.807 52.037 0.091 0.000 0.707 182 A CB 1.090 20.099 19.000 0.014 0.000 1.235 182 A HN 1.217 nan 8.150 nan 0.000 0.418 183 T N -0.970 113.671 114.554 0.145 0.000 2.916 183 T HA 0.415 4.779 4.350 0.023 0.000 0.292 183 T C 0.698 175.441 174.700 0.071 0.000 1.055 183 T CA -0.597 61.575 62.100 0.120 0.000 1.009 183 T CB 1.323 70.281 68.868 0.150 0.000 1.118 183 T HN 0.513 nan 8.240 nan 0.000 0.497 184 N N 0.112 118.844 118.700 0.054 0.000 2.084 184 N HA 0.043 4.796 4.740 0.023 0.000 0.190 184 N C 0.996 176.529 175.510 0.038 0.000 1.030 184 N CA 1.326 54.398 53.050 0.037 0.000 0.849 184 N CB -0.179 38.325 38.487 0.029 0.000 1.012 184 N HN 0.735 nan 8.380 nan 0.000 0.423 185 I N -3.861 116.736 120.570 0.045 0.000 3.436 185 I HA 0.755 4.938 4.170 0.023 0.000 0.300 185 I C 0.110 176.260 176.117 0.055 0.000 1.131 185 I CA -0.787 60.538 61.300 0.042 0.000 1.001 185 I CB 1.937 39.957 38.000 0.034 0.000 1.305 185 I HN 0.149 nan 8.210 nan 0.000 0.494 186 G N -0.131 108.698 108.800 0.048 0.000 2.423 186 G HA2 0.413 4.387 3.960 0.023 0.000 0.684 186 G HA3 0.413 4.387 3.960 0.023 0.000 0.684 186 G C -0.876 174.052 174.900 0.048 0.000 1.309 186 G CA -0.412 44.722 45.100 0.056 0.000 0.950 186 G HN 1.358 nan 8.290 nan 0.000 0.587 187 G N -1.194 107.635 108.800 0.048 0.000 2.563 187 G HA2 0.644 4.617 3.960 0.023 0.000 0.302 187 G HA3 0.644 4.617 3.960 0.023 0.000 0.302 187 G C 0.590 175.514 174.900 0.039 0.000 1.301 187 G CA 0.241 45.362 45.100 0.036 0.000 0.965 187 G HN 0.909 nan 8.290 nan 0.000 0.480 188 R N -0.464 120.054 120.500 0.030 0.000 2.193 188 R HA -0.072 4.282 4.340 0.023 0.000 0.229 188 R C 1.851 178.168 176.300 0.029 0.000 1.110 188 R CA 1.990 58.107 56.100 0.028 0.000 0.988 188 R CB -0.003 30.312 30.300 0.025 0.000 0.871 188 R HN 0.548 nan 8.270 nan 0.000 0.458 189 T N -2.168 112.400 114.554 0.024 0.000 3.092 189 T HA 0.134 4.498 4.350 0.023 0.000 0.258 189 T C 0.516 175.226 174.700 0.018 0.000 1.031 189 T CA -0.070 62.041 62.100 0.018 0.000 0.925 189 T CB 0.239 69.111 68.868 0.006 0.000 1.036 189 T HN 0.167 nan 8.240 nan 0.000 0.544 190 S N 0.688 116.403 115.700 0.026 0.000 2.593 190 S HA 0.648 5.131 4.470 0.023 0.000 0.269 190 S C 1.788 176.400 174.600 0.021 0.000 1.334 190 S CA -0.299 57.914 58.200 0.023 0.000 1.015 190 S CB 1.089 64.308 63.200 0.032 0.000 0.912 190 S HN 0.407 nan 8.310 nan 0.000 0.541 191 A N 2.432 125.253 122.820 0.002 0.000 1.883 191 A HA -0.091 4.243 4.320 0.023 0.000 0.217 191 A C 2.533 180.116 177.584 -0.000 0.000 1.186 191 A CA 2.192 54.221 52.037 -0.015 0.000 0.624 191 A CB -1.805 17.159 19.000 -0.059 0.000 0.822 191 A HN 1.403 nan 8.150 nan 0.000 0.444 192 S N 0.234 115.935 115.700 0.001 0.000 2.370 192 S HA 0.001 4.484 4.470 0.023 0.000 0.226 192 S C 1.997 176.656 174.600 0.098 0.000 1.033 192 S CA 1.402 59.615 58.200 0.021 0.000 1.011 192 S CB -0.735 62.462 63.200 -0.005 0.000 0.852 192 S HN 1.029 nan 8.310 nan 0.000 0.457 193 A N 0.828 123.718 122.820 0.117 0.000 2.168 193 A HA 0.329 4.662 4.320 0.023 0.000 0.215 193 A C 2.044 179.692 177.584 0.108 0.000 1.152 193 A CA 0.687 52.820 52.037 0.160 0.000 0.716 193 A CB -0.640 18.432 19.000 0.121 0.000 0.794 193 A HN 0.629 nan 8.150 nan 0.000 0.465 194 I N -1.333 119.282 120.570 0.075 0.000 2.585 194 I HA -0.125 4.059 4.170 0.023 0.000 0.254 194 I C 2.328 178.484 176.117 0.065 0.000 1.129 194 I CA 0.682 62.016 61.300 0.056 0.000 1.455 194 I CB -0.200 37.821 38.000 0.035 0.000 1.111 194 I HN 0.285 nan 8.210 nan 0.000 0.433 195 M N -0.076 119.567 119.600 0.072 0.000 2.279 195 M HA -0.178 4.315 4.480 0.023 0.000 0.264 195 M C 2.467 178.833 176.300 0.109 0.000 1.062 195 M CA 1.305 56.653 55.300 0.079 0.000 1.099 195 M CB -0.418 32.226 32.600 0.074 0.000 1.394 195 M HN 0.206 nan 8.290 nan 0.000 0.426 196 S N 1.524 117.317 115.700 0.155 0.000 2.343 196 S HA -0.174 4.310 4.470 0.023 0.000 0.219 196 S C 1.945 176.611 174.600 0.111 0.000 1.033 196 S CA 1.565 59.890 58.200 0.209 0.000 1.014 196 S CB -0.177 63.199 63.200 0.293 0.000 0.915 196 S HN 0.607 nan 8.310 nan 0.000 0.435 197 R N 0.485 121.028 120.500 0.072 0.000 2.237 197 R HA 0.126 4.479 4.340 0.023 0.000 0.219 197 R C 2.366 178.695 176.300 0.048 0.000 1.080 197 R CA 1.389 57.516 56.100 0.044 0.000 0.995 197 R CB -0.661 29.658 30.300 0.032 0.000 0.875 197 R HN 0.385 nan 8.270 nan 0.000 0.462 198 S N 1.100 116.834 115.700 0.057 0.000 2.395 198 S HA 0.081 4.564 4.470 0.023 0.000 0.225 198 S C 1.622 176.255 174.600 0.054 0.000 1.027 198 S CA 0.407 58.637 58.200 0.050 0.000 0.965 198 S CB -0.011 63.219 63.200 0.050 0.000 0.812 198 S HN 0.378 nan 8.310 nan 0.000 0.482 199 L N 2.322 123.587 121.223 0.069 0.000 2.645 199 L HA 0.203 4.557 4.340 0.023 0.000 0.235 199 L C 0.552 177.464 176.870 0.070 0.000 1.150 199 L CA 0.329 55.212 54.840 0.071 0.000 0.911 199 L CB -0.731 41.381 42.059 0.089 0.000 1.077 199 L HN 0.495 nan 8.230 nan 0.000 0.438 200 E N 0.027 120.264 120.200 0.061 0.000 2.165 200 E HA -0.273 4.091 4.350 0.023 0.000 0.203 200 E C -0.233 176.395 176.600 0.047 0.000 1.335 200 E CA 0.375 56.808 56.400 0.055 0.000 0.708 200 E CB -1.972 27.767 29.700 0.065 0.000 1.105 200 E HN 0.525 nan 8.360 nan 0.000 0.346 201 I N 0.896 121.493 120.570 0.046 0.000 2.328 201 I HA 0.271 4.455 4.170 0.023 0.000 0.287 201 I C -2.036 174.041 176.117 -0.067 0.000 1.012 201 I CA -2.739 58.582 61.300 0.036 0.000 1.195 201 I CB 1.182 39.263 38.000 0.136 0.000 1.350 201 I HN -0.077 nan 8.210 nan 0.000 0.464 202 P HA 0.043 nan 4.420 nan 0.000 0.263 202 P C -0.855 176.235 177.300 -0.350 0.000 1.175 202 P CA 0.206 63.172 63.100 -0.224 0.000 0.761 202 P CB 0.589 32.159 31.700 -0.218 0.000 0.794 203 A N 3.657 126.231 122.820 -0.410 0.000 2.540 203 A HA 0.690 5.024 4.320 0.023 0.000 0.297 203 A C -0.958 176.401 177.584 -0.374 0.000 1.056 203 A CA -0.617 51.026 52.037 -0.656 0.000 0.700 203 A CB 0.954 19.192 19.000 -1.269 0.000 1.280 203 A HN 0.596 nan 8.150 nan 0.000 0.398 204 I N 0.648 121.042 120.570 -0.294 0.000 2.569 204 I HA 0.921 5.104 4.170 0.023 0.000 0.296 204 I C -1.317 174.749 176.117 -0.085 0.000 1.028 204 I CA -0.910 60.300 61.300 -0.149 0.000 1.082 204 I CB 1.901 39.842 38.000 -0.099 0.000 1.264 204 I HN 0.596 nan 8.210 nan 0.000 0.429 205 V N 4.672 124.568 119.914 -0.030 0.000 3.155 205 V HA 0.815 4.949 4.120 0.023 0.000 0.313 205 V C 0.659 176.768 176.094 0.025 0.000 1.162 205 V CA 0.212 62.528 62.300 0.027 0.000 1.048 205 V CB 1.845 33.703 31.823 0.059 0.000 1.092 205 V HN 1.278 nan 8.190 nan 0.000 0.447 206 G N 2.104 110.928 108.800 0.039 0.000 2.372 206 G HA2 -0.227 3.746 3.960 0.023 0.000 0.297 206 G HA3 -0.227 3.746 3.960 0.023 0.000 0.297 206 G C 0.503 175.416 174.900 0.022 0.000 1.005 206 G CA 1.059 46.177 45.100 0.030 0.000 1.173 206 G HN 1.643 nan 8.290 nan 0.000 0.511 207 T N -3.777 110.790 114.554 0.022 0.000 3.015 207 T HA 0.536 4.899 4.350 0.023 0.000 0.250 207 T C 2.024 176.732 174.700 0.014 0.000 1.057 207 T CA 1.794 63.902 62.100 0.014 0.000 1.066 207 T CB 0.110 68.984 68.868 0.011 0.000 0.959 207 T HN 2.135 nan 8.240 nan 0.000 0.488 208 K N 0.137 120.547 120.400 0.018 0.000 3.658 208 K HA -0.275 4.059 4.320 0.023 0.000 0.372 208 K C 1.901 178.508 176.600 0.013 0.000 0.598 208 K CA 2.414 58.711 56.287 0.015 0.000 1.635 208 K CB -2.509 29.999 32.500 0.013 0.000 1.178 208 K HN 0.681 nan 8.250 nan 0.000 0.470 209 S N -0.726 114.980 115.700 0.011 0.000 2.520 209 S HA 0.362 4.846 4.470 0.023 0.000 0.219 209 S C 1.843 176.447 174.600 0.007 0.000 1.028 209 S CA 0.632 58.837 58.200 0.007 0.000 0.921 209 S CB -0.107 63.096 63.200 0.005 0.000 0.844 209 S HN 0.538 nan 8.310 nan 0.000 0.495 210 I N 1.779 122.355 120.570 0.010 0.000 2.185 210 I HA -0.246 3.937 4.170 0.023 0.000 0.246 210 I C 2.381 178.503 176.117 0.009 0.000 1.088 210 I CA 1.670 62.975 61.300 0.010 0.000 1.347 210 I CB -0.598 37.413 38.000 0.017 0.000 1.041 210 I HN 0.328 nan 8.210 nan 0.000 0.415 211 T N -0.310 114.251 114.554 0.011 0.000 2.788 211 T HA -0.228 4.135 4.350 0.023 0.000 0.268 211 T C 1.642 176.341 174.700 -0.000 0.000 1.044 211 T CA 1.279 63.383 62.100 0.006 0.000 1.139 211 T CB -0.134 68.739 68.868 0.007 0.000 0.867 211 T HN 0.303 nan 8.240 nan 0.000 0.454 212 Q N 0.434 120.234 119.800 0.001 0.000 2.444 212 Q HA 0.106 4.459 4.340 0.023 0.000 0.206 212 Q C 1.760 177.758 176.000 -0.003 0.000 0.948 212 Q CA 0.512 56.314 55.803 -0.002 0.000 0.946 212 Q CB 0.247 28.984 28.738 -0.001 0.000 1.027 212 Q HN 0.423 nan 8.270 nan 0.000 0.513 213 E N -0.881 119.318 120.200 -0.002 0.000 2.489 213 E HA 0.140 4.504 4.350 0.023 0.000 0.204 213 E C -0.438 176.159 176.600 -0.004 0.000 1.006 213 E CA 0.119 56.517 56.400 -0.003 0.000 0.936 213 E CB 1.269 30.968 29.700 -0.002 0.000 1.002 213 E HN -0.010 nan 8.360 nan 0.000 0.488 214 V N 1.790 121.702 119.914 -0.004 0.000 2.638 214 V HA 0.277 4.411 4.120 0.023 0.000 0.306 214 V C -0.091 175.997 176.094 -0.010 0.000 1.052 214 V CA -0.973 61.324 62.300 -0.005 0.000 0.885 214 V CB 2.790 34.612 31.823 -0.001 0.000 0.999 214 V HN -0.106 nan 8.190 nan 0.000 0.424 215 K N 3.001 123.395 120.400 -0.010 0.000 2.156 215 K HA 0.443 4.777 4.320 0.023 0.000 0.254 215 K C -0.267 176.324 176.600 -0.015 0.000 0.950 215 K CA -0.790 55.489 56.287 -0.015 0.000 0.849 215 K CB 1.876 34.370 32.500 -0.011 0.000 1.100 215 K HN 0.774 nan 8.250 nan 0.000 0.434 216 Q N 1.207 120.990 119.800 -0.028 0.000 2.269 216 Q HA 0.127 4.481 4.340 0.023 0.000 0.300 216 Q C 0.687 176.684 176.000 -0.005 0.000 1.070 216 Q CA 2.092 57.877 55.803 -0.030 0.000 0.957 216 Q CB -0.105 28.600 28.738 -0.056 0.000 1.131 216 Q HN 0.883 nan 8.270 nan 0.000 0.377 217 G N 3.222 112.030 108.800 0.014 0.000 2.213 217 G HA2 -0.212 3.761 3.960 0.023 0.000 0.226 217 G HA3 -0.212 3.761 3.960 0.023 0.000 0.226 217 G C -0.441 174.473 174.900 0.023 0.000 0.992 217 G CA -0.109 45.006 45.100 0.025 0.000 0.632 217 G HN 0.689 nan 8.290 nan 0.000 0.511 218 D N 1.341 121.751 120.400 0.016 0.000 2.472 218 D HA 0.347 5.001 4.640 0.023 0.000 0.237 218 D C 1.164 177.474 176.300 0.016 0.000 1.141 218 D CA 0.181 54.188 54.000 0.012 0.000 0.875 218 D CB 0.364 41.167 40.800 0.005 0.000 1.192 218 D HN 0.052 nan 8.370 nan 0.000 0.450 219 M N 2.257 121.864 119.600 0.012 0.000 2.217 219 M HA 0.160 4.653 4.480 0.023 0.000 0.352 219 M C -0.465 175.832 176.300 -0.005 0.000 1.376 219 M CA 0.054 55.360 55.300 0.009 0.000 1.107 219 M CB 0.276 32.881 32.600 0.009 0.000 1.723 219 M HN 0.203 nan 8.290 nan 0.000 0.461 220 I N 6.072 126.638 120.570 -0.007 0.000 2.498 220 I HA 0.432 4.616 4.170 0.023 0.000 0.290 220 I C -0.304 175.779 176.117 -0.057 0.000 1.032 220 I CA -1.101 60.181 61.300 -0.029 0.000 1.073 220 I CB 1.653 39.648 38.000 -0.008 0.000 1.251 220 I HN 0.603 nan 8.210 nan 0.000 0.426 221 I N 5.319 125.818 120.570 -0.118 0.000 2.433 221 I HA 0.624 4.807 4.170 0.023 0.000 0.292 221 I C -1.006 174.995 176.117 -0.192 0.000 1.001 221 I CA -0.400 60.793 61.300 -0.177 0.000 1.119 221 I CB 1.954 39.765 38.000 -0.315 0.000 1.289 221 I HN 0.174 nan 8.210 nan 0.000 0.438 222 V N 6.032 125.852 119.914 -0.156 0.000 2.313 222 V HA 0.304 4.437 4.120 0.023 0.000 0.278 222 V C -0.450 175.550 176.094 -0.157 0.000 1.017 222 V CA -0.298 61.912 62.300 -0.148 0.000 0.823 222 V CB 0.972 32.716 31.823 -0.131 0.000 1.010 222 V HN 0.776 nan 8.190 nan 0.000 0.443 223 D N 4.210 124.522 120.400 -0.146 0.000 2.563 223 D HA 0.214 4.867 4.640 0.023 0.000 0.222 223 D C 1.413 177.658 176.300 -0.091 0.000 1.145 223 D CA 0.047 53.995 54.000 -0.088 0.000 1.001 223 D CB 1.082 41.879 40.800 -0.004 0.000 1.049 223 D HN 0.603 nan 8.370 nan 0.000 0.515 224 G N 1.872 110.588 108.800 -0.140 0.000 2.708 224 G HA2 -0.172 3.802 3.960 0.023 0.000 0.210 224 G HA3 -0.172 3.802 3.960 0.023 0.000 0.210 224 G C 1.278 176.116 174.900 -0.102 0.000 1.141 224 G CA 0.169 45.184 45.100 -0.141 0.000 0.788 224 G HN 0.393 nan 8.290 nan 0.000 0.531 225 L N 1.198 122.371 121.223 -0.082 0.000 2.034 225 L HA 0.079 4.432 4.340 0.023 0.000 0.203 225 L C 2.399 179.264 176.870 -0.008 0.000 1.074 225 L CA 2.063 56.882 54.840 -0.035 0.000 0.748 225 L CB -0.765 41.287 42.059 -0.012 0.000 0.905 225 L HN 0.615 nan 8.230 nan 0.000 0.439 226 N N -2.060 116.643 118.700 0.004 0.000 2.205 226 N HA 0.157 4.910 4.740 0.023 0.000 0.201 226 N C 1.029 176.540 175.510 0.003 0.000 1.128 226 N CA 0.688 53.745 53.050 0.012 0.000 0.867 226 N CB 0.656 39.160 38.487 0.029 0.000 0.996 226 N HN 0.222 nan 8.380 nan 0.000 0.503 227 G N 1.341 110.132 108.800 -0.015 0.000 2.132 227 G HA2 -0.243 3.730 3.960 0.023 0.000 0.228 227 G HA3 -0.243 3.730 3.960 0.023 0.000 0.228 227 G C -0.960 173.925 174.900 -0.024 0.000 1.000 227 G CA 0.314 45.399 45.100 -0.025 0.000 0.693 227 G HN 0.739 nan 8.290 nan 0.000 0.515 228 D N -0.459 119.928 120.400 -0.023 0.000 2.350 228 D HA 0.622 5.275 4.640 0.023 0.000 0.245 228 D C 0.028 176.288 176.300 -0.066 0.000 1.036 228 D CA -0.977 53.006 54.000 -0.027 0.000 0.848 228 D CB 2.104 42.904 40.800 -0.000 0.000 1.307 228 D HN 0.239 nan 8.370 nan 0.000 0.469 229 V N 1.770 121.645 119.914 -0.065 0.000 2.532 229 V HA 0.438 4.572 4.120 0.023 0.000 0.295 229 V C 0.118 176.154 176.094 -0.095 0.000 1.041 229 V CA -0.749 61.498 62.300 -0.089 0.000 0.926 229 V CB 1.303 33.091 31.823 -0.058 0.000 0.992 229 V HN 0.558 nan 8.190 nan 0.000 0.457 230 I N 4.282 124.770 120.570 -0.137 0.000 2.447 230 I HA 0.423 4.606 4.170 0.023 0.000 0.287 230 I C -0.732 175.333 176.117 -0.088 0.000 1.023 230 I CA -0.723 60.504 61.300 -0.122 0.000 1.083 230 I CB 2.027 39.909 38.000 -0.197 0.000 1.245 230 I HN 0.271 nan 8.210 nan 0.000 0.434 231 V N 5.993 125.878 119.914 -0.049 0.000 2.427 231 V HA 0.328 4.461 4.120 0.023 0.000 0.286 231 V C 0.175 176.256 176.094 -0.021 0.000 1.034 231 V CA -0.757 61.525 62.300 -0.031 0.000 0.893 231 V CB 1.178 32.990 31.823 -0.018 0.000 0.982 231 V HN 0.885 nan 8.190 nan 0.000 0.452 232 N N 2.290 120.981 118.700 -0.015 0.000 2.641 232 N HA -0.117 4.636 4.740 0.023 0.000 0.267 232 N C -2.652 172.856 175.510 -0.002 0.000 1.087 232 N CA 0.121 53.169 53.050 -0.005 0.000 0.731 232 N CB -0.992 37.495 38.487 -0.000 0.000 0.886 232 N HN 0.468 nan 8.380 nan 0.000 0.547 233 P HA 0.057 nan 4.420 nan 0.000 0.271 233 P C 0.707 178.023 177.300 0.027 0.000 1.216 233 P CA 0.192 63.298 63.100 0.010 0.000 0.771 233 P CB 0.708 32.412 31.700 0.007 0.000 0.864 234 T N 0.711 115.288 114.554 0.037 0.000 2.748 234 T HA -0.030 4.333 4.350 0.023 0.000 0.304 234 T C 1.432 176.158 174.700 0.043 0.000 1.041 234 T CA -0.116 62.005 62.100 0.036 0.000 1.033 234 T CB 0.171 69.062 68.868 0.037 0.000 0.995 234 T HN 0.517 nan 8.240 nan 0.000 0.536 235 E N 0.459 120.680 120.200 0.034 0.000 2.085 235 E HA -0.190 4.174 4.350 0.023 0.000 0.194 235 E C 1.220 177.845 176.600 0.041 0.000 0.994 235 E CA 1.724 58.145 56.400 0.034 0.000 0.801 235 E CB 0.008 29.724 29.700 0.025 0.000 0.743 235 E HN 0.608 nan 8.360 nan 0.000 0.453 236 D N 0.203 120.627 120.400 0.040 0.000 2.149 236 D HA -0.120 4.534 4.640 0.023 0.000 0.201 236 D C 1.665 178.000 176.300 0.059 0.000 0.972 236 D CA 0.883 54.905 54.000 0.037 0.000 0.835 236 D CB -0.117 40.699 40.800 0.027 0.000 0.966 236 D HN 0.327 nan 8.370 nan 0.000 0.476 237 E N -0.006 120.250 120.200 0.095 0.000 2.106 237 E HA -0.121 4.242 4.350 0.023 0.000 0.192 237 E C 1.983 178.736 176.600 0.255 0.000 0.984 237 E CA 0.205 56.720 56.400 0.191 0.000 0.806 237 E CB 0.011 29.834 29.700 0.205 0.000 0.750 237 E HN 0.094 nan 8.360 nan 0.000 0.458 238 L N 1.092 122.405 121.223 0.150 0.000 2.017 238 L HA -0.147 4.206 4.340 0.023 0.000 0.208 238 L C 1.996 178.937 176.870 0.119 0.000 1.073 238 L CA 1.577 56.495 54.840 0.130 0.000 0.745 238 L CB -0.324 41.780 42.059 0.074 0.000 0.894 238 L HN 0.103 nan 8.230 nan 0.000 0.432 239 I N -0.134 120.483 120.570 0.077 0.000 2.208 239 I HA -0.325 3.858 4.170 0.023 0.000 0.245 239 I C 2.566 178.705 176.117 0.037 0.000 1.097 239 I CA 1.381 62.711 61.300 0.049 0.000 1.363 239 I CB -0.602 37.415 38.000 0.029 0.000 1.051 239 I HN 0.404 nan 8.210 nan 0.000 0.413 240 A N -0.356 122.472 122.820 0.015 0.000 1.930 240 A HA -0.195 4.138 4.320 0.023 0.000 0.217 240 A C 2.041 179.542 177.584 -0.138 0.000 1.175 240 A CA 1.380 53.364 52.037 -0.089 0.000 0.627 240 A CB -0.780 18.114 19.000 -0.176 0.000 0.815 240 A HN 0.429 nan 8.150 nan 0.000 0.443 241 Y N -0.137 120.173 120.300 0.017 0.000 2.475 241 Y HA -0.044 4.520 4.550 0.023 0.000 0.289 241 Y C 2.601 178.520 175.900 0.031 0.000 1.121 241 Y CA 1.159 59.270 58.100 0.018 0.000 1.257 241 Y CB -0.172 38.293 38.460 0.009 0.000 1.026 241 Y HN 0.395 nan 8.280 nan 0.000 0.555 242 Q N 0.093 119.989 119.800 0.160 0.000 2.084 242 Q HA -0.201 4.152 4.340 0.023 0.000 0.202 242 Q C 1.413 177.472 176.000 0.099 0.000 0.978 242 Q CA 1.673 57.546 55.803 0.116 0.000 0.844 242 Q CB -0.077 28.709 28.738 0.081 0.000 0.898 242 Q HN 0.444 nan 8.270 nan 0.000 0.426 243 D N 0.365 120.802 120.400 0.062 0.000 2.144 243 D HA -0.147 4.507 4.640 0.023 0.000 0.200 243 D C 1.628 177.966 176.300 0.064 0.000 0.978 243 D CA 1.052 55.081 54.000 0.047 0.000 0.833 243 D CB -0.102 40.703 40.800 0.009 0.000 0.961 243 D HN 0.154 nan 8.370 nan 0.000 0.470 244 K N 0.901 121.329 120.400 0.048 0.000 2.097 244 K HA -0.119 4.215 4.320 0.023 0.000 0.206 244 K C 2.152 178.838 176.600 0.143 0.000 1.049 244 K CA 0.761 57.086 56.287 0.064 0.000 0.933 244 K CB 0.154 32.665 32.500 0.019 0.000 0.717 244 K HN -0.088 nan 8.250 nan 0.000 0.442 245 R N 0.318 120.922 120.500 0.173 0.000 2.096 245 R HA -0.128 4.226 4.340 0.023 0.000 0.235 245 R C 1.633 178.166 176.300 0.389 0.000 1.127 245 R CA 1.570 57.814 56.100 0.241 0.000 0.968 245 R CB 0.065 30.505 30.300 0.233 0.000 0.861 245 R HN 0.219 nan 8.270 nan 0.000 0.440 246 E N 0.420 120.789 120.200 0.281 0.000 2.072 246 E HA -0.133 4.231 4.350 0.023 0.000 0.190 246 E C 2.067 178.809 176.600 0.236 0.000 0.982 246 E CA 0.926 57.490 56.400 0.273 0.000 0.803 246 E CB -0.200 29.581 29.700 0.136 0.000 0.755 246 E HN 0.370 nan 8.360 nan 0.000 0.453 247 R N 0.032 120.630 120.500 0.162 0.000 2.091 247 R HA -0.184 4.170 4.340 0.023 0.000 0.238 247 R C 2.382 178.752 176.300 0.117 0.000 1.136 247 R CA 1.447 57.613 56.100 0.110 0.000 0.959 247 R CB -0.585 29.761 30.300 0.077 0.000 0.856 247 R HN 0.222 nan 8.270 nan 0.000 0.437 248 Y N 0.774 121.091 120.300 0.028 0.000 2.114 248 Y HA -0.269 4.294 4.550 0.022 0.000 0.282 248 Y C 1.873 177.707 175.900 -0.110 0.000 1.165 248 Y CA 1.583 59.641 58.100 -0.072 0.000 1.148 248 Y CB -0.556 37.814 38.460 -0.149 0.000 0.972 248 Y HN -0.095 nan 8.280 nan 0.000 0.504 249 F N -0.122 119.801 119.950 -0.045 0.000 2.171 249 F HA -0.173 4.368 4.527 0.023 0.000 0.300 249 F C 2.600 178.316 175.800 -0.141 0.000 1.090 249 F CA 1.274 59.193 58.000 -0.134 0.000 1.293 249 F CB -0.900 38.103 39.000 0.005 0.000 1.013 249 F HN 0.190 nan 8.300 nan 0.000 0.486 250 A N 0.153 123.029 122.820 0.092 0.000 1.858 250 A HA -0.211 4.123 4.320 0.023 0.000 0.216 250 A C 1.981 179.539 177.584 -0.043 0.000 1.190 250 A CA 2.096 54.150 52.037 0.028 0.000 0.617 250 A CB -0.899 18.123 19.000 0.035 0.000 0.827 250 A HN 0.275 nan 8.150 nan 0.000 0.443 251 D N 0.084 120.432 120.400 -0.087 0.000 2.123 251 D HA -0.151 4.503 4.640 0.023 0.000 0.196 251 D C 1.852 178.051 176.300 -0.169 0.000 0.992 251 D CA 1.226 55.156 54.000 -0.116 0.000 0.833 251 D CB -0.268 40.465 40.800 -0.112 0.000 0.954 251 D HN 0.309 nan 8.370 nan 0.000 0.455 252 K N 0.992 121.216 120.400 -0.292 0.000 2.089 252 K HA -0.169 4.165 4.320 0.023 0.000 0.210 252 K C 2.053 178.577 176.600 -0.126 0.000 1.048 252 K CA 0.888 57.013 56.287 -0.269 0.000 0.926 252 K CB -0.289 31.987 32.500 -0.373 0.000 0.714 252 K HN 0.220 nan 8.250 nan 0.000 0.448 253 K N 1.019 121.372 120.400 -0.079 0.000 1.991 253 K HA -0.197 4.137 4.320 0.023 0.000 0.212 253 K C 2.141 178.718 176.600 -0.040 0.000 1.049 253 K CA 1.980 58.244 56.287 -0.038 0.000 0.932 253 K CB -0.141 32.351 32.500 -0.014 0.000 0.717 253 K HN 0.392 nan 8.250 nan 0.000 0.441 254 E N 0.645 120.820 120.200 -0.042 0.000 2.333 254 E HA -0.186 4.178 4.350 0.023 0.000 0.198 254 E C 1.789 178.364 176.600 -0.042 0.000 1.007 254 E CA 0.716 57.095 56.400 -0.036 0.000 0.845 254 E CB -0.095 29.585 29.700 -0.033 0.000 0.766 254 E HN 0.109 nan 8.360 nan 0.000 0.507 255 L N 0.855 122.045 121.223 -0.055 0.000 2.313 255 L HA -0.043 4.311 4.340 0.023 0.000 0.214 255 L C 1.878 178.721 176.870 -0.044 0.000 1.119 255 L CA 1.213 56.020 54.840 -0.055 0.000 0.809 255 L CB 0.070 42.083 42.059 -0.076 0.000 0.933 255 L HN 0.053 nan 8.230 nan 0.000 0.449 256 Q N -0.543 119.233 119.800 -0.040 0.000 2.424 256 Q HA -0.027 4.326 4.340 0.023 0.000 0.204 256 Q C 1.459 177.445 176.000 -0.024 0.000 0.933 256 Q CA 0.516 56.301 55.803 -0.030 0.000 0.929 256 Q CB 0.032 28.754 28.738 -0.026 0.000 1.037 256 Q HN 0.478 nan 8.270 nan 0.000 0.511 257 K N 0.377 120.762 120.400 -0.024 0.000 2.505 257 K HA 0.139 4.473 4.320 0.023 0.000 0.192 257 K C 1.367 177.955 176.600 -0.021 0.000 1.025 257 K CA 0.191 56.466 56.287 -0.020 0.000 1.086 257 K CB 0.335 32.824 32.500 -0.020 0.000 0.840 257 K HN 0.085 nan 8.250 nan 0.000 0.514 258 L N -0.308 120.900 121.223 -0.024 0.000 2.664 258 L HA 0.166 4.519 4.340 0.023 0.000 0.233 258 L C 1.765 178.622 176.870 -0.022 0.000 1.113 258 L CA -0.072 54.754 54.840 -0.025 0.000 0.896 258 L CB 0.114 42.155 42.059 -0.031 0.000 1.163 258 L HN 0.042 nan 8.230 nan 0.000 0.497 259 R N 1.154 121.642 120.500 -0.020 0.000 2.159 259 R HA -0.158 4.195 4.340 0.023 0.000 0.237 259 R C 0.696 176.987 176.300 -0.014 0.000 1.131 259 R CA 1.671 57.761 56.100 -0.017 0.000 0.982 259 R CB -0.211 30.080 30.300 -0.015 0.000 0.868 259 R HN 0.495 nan 8.270 nan 0.000 0.453 260 D N -1.280 119.112 120.400 -0.013 0.000 2.469 260 D HA 0.155 4.809 4.640 0.023 0.000 0.215 260 D C -0.084 176.210 176.300 -0.010 0.000 1.154 260 D CA -0.282 53.712 54.000 -0.011 0.000 0.832 260 D CB 0.314 41.108 40.800 -0.009 0.000 1.008 260 D HN 0.072 nan 8.370 nan 0.000 0.506 261 A N 0.098 122.911 122.820 -0.012 0.000 2.302 261 A HA 0.407 4.741 4.320 0.023 0.000 0.285 261 A C -0.058 177.522 177.584 -0.006 0.000 1.105 261 A CA -0.526 51.505 52.037 -0.010 0.000 0.816 261 A CB 0.644 19.635 19.000 -0.016 0.000 1.067 261 A HN 0.071 nan 8.150 nan 0.000 0.489 262 D N 0.321 120.724 120.400 0.005 0.000 2.264 262 D HA 0.329 4.983 4.640 0.023 0.000 0.249 262 D C -0.367 175.938 176.300 0.008 0.000 1.070 262 D CA 0.304 54.319 54.000 0.024 0.000 0.912 262 D CB 1.067 41.908 40.800 0.068 0.000 1.193 262 D HN 0.388 nan 8.370 nan 0.000 0.427 263 T N 2.020 116.583 114.554 0.014 0.000 2.739 263 T HA 0.375 4.738 4.350 0.023 0.000 0.298 263 T C -0.196 174.474 174.700 -0.050 0.000 0.929 263 T CA -0.485 61.599 62.100 -0.026 0.000 1.014 263 T CB 0.264 69.111 68.868 -0.035 0.000 0.914 263 T HN 0.090 nan 8.240 nan 0.000 0.509 264 V N 3.499 123.341 119.914 -0.120 0.000 2.668 264 V HA 0.420 4.554 4.120 0.023 0.000 0.304 264 V C 0.647 176.639 176.094 -0.171 0.000 1.071 264 V CA -1.343 60.807 62.300 -0.250 0.000 0.894 264 V CB 1.902 33.506 31.823 -0.365 0.000 1.008 264 V HN 0.957 nan 8.190 nan 0.000 0.425 265 T N 0.989 115.450 114.554 -0.155 0.000 2.802 265 T HA 0.256 4.620 4.350 0.023 0.000 0.305 265 T C 1.349 175.995 174.700 -0.090 0.000 1.053 265 T CA -0.195 61.847 62.100 -0.097 0.000 1.058 265 T CB 1.162 69.991 68.868 -0.065 0.000 0.988 265 T HN 0.300 nan 8.240 nan 0.000 0.539 266 V N 1.668 121.547 119.914 -0.058 0.000 2.453 266 V HA -0.142 3.991 4.120 0.023 0.000 0.252 266 V C 1.941 178.009 176.094 -0.044 0.000 1.068 266 V CA 2.252 64.525 62.300 -0.045 0.000 1.070 266 V CB -0.987 30.820 31.823 -0.027 0.000 0.664 266 V HN 1.056 nan 8.190 nan 0.000 0.461 267 D N -0.766 119.608 120.400 -0.042 0.000 2.427 267 D HA 0.287 4.940 4.640 0.023 0.000 0.224 267 D C 1.374 177.645 176.300 -0.048 0.000 1.157 267 D CA 0.494 54.474 54.000 -0.033 0.000 0.828 267 D CB 0.083 40.874 40.800 -0.015 0.000 0.974 267 D HN 0.397 nan 8.370 nan 0.000 0.498 268 G N -0.476 108.269 108.800 -0.091 0.000 2.159 268 G HA2 -0.260 3.714 3.960 0.023 0.000 0.256 268 G HA3 -0.260 3.714 3.960 0.023 0.000 0.256 268 G C 0.101 174.893 174.900 -0.179 0.000 0.977 268 G CA 0.159 45.178 45.100 -0.134 0.000 0.652 268 G HN 0.385 nan 8.290 nan 0.000 0.531 269 V N 1.702 121.534 119.914 -0.136 0.000 2.432 269 V HA 0.443 4.576 4.120 0.023 0.000 0.271 269 V C 0.782 176.797 176.094 -0.131 0.000 1.046 269 V CA -0.604 61.653 62.300 -0.073 0.000 0.945 269 V CB 0.712 32.527 31.823 -0.014 0.000 0.992 269 V HN 0.399 nan 8.190 nan 0.000 0.471 270 H N 2.395 121.463 119.070 -0.003 0.000 2.551 270 H HA 0.747 5.314 4.556 0.018 0.000 0.358 270 H C 0.330 175.667 175.328 0.016 0.000 1.151 270 H CA 0.664 56.707 56.048 -0.007 0.000 1.374 270 H CB 1.304 31.053 29.762 -0.022 0.000 1.473 270 H HN 0.894 nan 8.280 nan 0.000 0.574 271 A N 1.446 124.346 122.820 0.133 0.000 2.569 271 A HA 0.532 4.865 4.320 0.023 0.000 0.290 271 A C -1.143 176.493 177.584 0.087 0.000 1.136 271 A CA -0.778 51.340 52.037 0.135 0.000 0.710 271 A CB 1.633 20.718 19.000 0.142 0.000 1.303 271 A HN 0.742 nan 8.150 nan 0.000 0.413 272 E N 0.849 121.111 120.200 0.103 0.000 2.218 272 E HA 0.562 4.925 4.350 0.023 0.000 0.263 272 E C -1.745 174.908 176.600 0.087 0.000 0.879 272 E CA -0.437 55.979 56.400 0.027 0.000 0.762 272 E CB 1.015 30.657 29.700 -0.097 0.000 1.166 272 E HN 0.571 nan 8.360 nan 0.000 0.415 273 L N 3.953 125.201 121.223 0.042 0.000 2.262 273 L HA 0.664 5.017 4.340 0.023 0.000 0.288 273 L C 0.076 176.970 176.870 0.041 0.000 1.035 273 L CA -0.545 54.331 54.840 0.059 0.000 0.820 273 L CB 1.129 43.189 42.059 0.002 0.000 1.204 273 L HN 0.561 nan 8.230 nan 0.000 0.424 274 A N 3.080 125.940 122.820 0.067 0.000 2.347 274 A HA 0.977 5.311 4.320 0.023 0.000 0.301 274 A C -0.637 176.978 177.584 0.052 0.000 1.163 274 A CA -0.490 51.572 52.037 0.043 0.000 0.860 274 A CB 1.674 20.697 19.000 0.038 0.000 1.367 274 A HN 0.698 nan 8.150 nan 0.000 0.461 275 A N 0.569 123.413 122.820 0.040 0.000 2.365 275 A HA 0.668 5.001 4.320 0.023 0.000 0.318 275 A C -1.024 176.580 177.584 0.034 0.000 1.091 275 A CA -0.820 51.237 52.037 0.033 0.000 0.763 275 A CB 0.759 19.768 19.000 0.015 0.000 1.248 275 A HN 0.678 nan 8.150 nan 0.000 0.442 276 N N 1.828 120.547 118.700 0.031 0.000 2.422 276 N HA 0.495 5.249 4.740 0.023 0.000 0.266 276 N C -0.622 174.875 175.510 -0.021 0.000 1.007 276 N CA -0.033 53.032 53.050 0.025 0.000 0.941 276 N CB 1.331 39.843 38.487 0.042 0.000 1.115 276 N HN 0.737 nan 8.380 nan 0.000 0.492 277 I N -2.477 118.047 120.570 -0.077 0.000 2.509 277 I HA 0.668 4.851 4.170 0.023 0.000 0.293 277 I C 0.700 176.679 176.117 -0.229 0.000 1.020 277 I CA -0.825 60.371 61.300 -0.173 0.000 1.088 277 I CB 2.232 40.066 38.000 -0.275 0.000 1.267 277 I HN 0.370 nan 8.210 nan 0.000 0.430 278 G N 3.487 112.195 108.800 -0.153 0.000 2.850 278 G HA2 0.264 4.238 3.960 0.023 0.000 0.211 278 G HA3 0.264 4.238 3.960 0.023 0.000 0.211 278 G C 0.368 175.211 174.900 -0.095 0.000 1.124 278 G CA 0.687 45.737 45.100 -0.083 0.000 0.769 278 G HN 0.787 nan 8.290 nan 0.000 0.535 279 T N -2.735 111.733 114.554 -0.143 0.000 2.933 279 T HA 0.512 4.876 4.350 0.023 0.000 0.305 279 T C -2.741 171.879 174.700 -0.133 0.000 1.092 279 T CA -1.558 60.487 62.100 -0.093 0.000 1.008 279 T CB 2.738 71.588 68.868 -0.031 0.000 1.102 279 T HN -0.209 nan 8.240 nan 0.000 0.469 280 P HA 0.036 nan 4.420 nan 0.000 0.236 280 P C 0.777 178.053 177.300 -0.040 0.000 1.172 280 P CA 0.455 63.527 63.100 -0.047 0.000 0.759 280 P CB -0.080 31.630 31.700 0.018 0.000 0.843 281 N N -0.647 118.029 118.700 -0.040 0.000 2.467 281 N HA -0.047 4.707 4.740 0.023 0.000 0.184 281 N C 0.549 176.040 175.510 -0.031 0.000 1.106 281 N CA 0.773 53.807 53.050 -0.027 0.000 0.892 281 N CB -0.285 38.192 38.487 -0.016 0.000 0.969 281 N HN 0.144 nan 8.380 nan 0.000 0.454 282 D N -0.168 120.202 120.400 -0.051 0.000 2.339 282 D HA 0.126 4.779 4.640 0.023 0.000 0.217 282 D C 1.840 178.114 176.300 -0.043 0.000 1.050 282 D CA -0.058 53.913 54.000 -0.048 0.000 0.856 282 D CB 0.280 41.039 40.800 -0.068 0.000 0.922 282 D HN 0.202 nan 8.370 nan 0.000 0.518 283 L N 0.874 122.073 121.223 -0.040 0.000 2.017 283 L HA -0.092 4.262 4.340 0.023 0.000 0.208 283 L C -0.388 176.473 176.870 -0.016 0.000 1.073 283 L CA 1.361 56.185 54.840 -0.026 0.000 0.745 283 L CB -1.607 40.442 42.059 -0.018 0.000 0.894 283 L HN 0.020 nan 8.230 nan 0.000 0.432 284 P HA -0.192 nan 4.420 nan 0.000 0.216 284 P C 1.575 178.870 177.300 -0.007 0.000 1.157 284 P CA 1.962 65.056 63.100 -0.009 0.000 0.880 284 P CB -0.263 31.433 31.700 -0.007 0.000 0.791 285 G N -0.730 108.066 108.800 -0.008 0.000 2.450 285 G HA2 -0.225 3.749 3.960 0.023 0.000 0.220 285 G HA3 -0.225 3.749 3.960 0.023 0.000 0.220 285 G C 1.595 176.492 174.900 -0.005 0.000 1.130 285 G CA 0.728 45.825 45.100 -0.005 0.000 0.760 285 G HN 0.176 nan 8.290 nan 0.000 0.557 286 V N 1.497 121.406 119.914 -0.008 0.000 2.244 286 V HA -0.117 4.017 4.120 0.023 0.000 0.244 286 V C 2.763 178.855 176.094 -0.004 0.000 1.042 286 V CA 1.238 63.534 62.300 -0.006 0.000 1.006 286 V CB -0.333 31.485 31.823 -0.008 0.000 0.641 286 V HN 0.266 nan 8.190 nan 0.000 0.446 287 I N 0.398 120.965 120.570 -0.005 0.000 2.315 287 I HA -0.214 3.969 4.170 0.023 0.000 0.248 287 I C 2.589 178.703 176.117 -0.005 0.000 1.117 287 I CA 1.803 63.100 61.300 -0.004 0.000 1.404 287 I CB -1.230 36.767 38.000 -0.004 0.000 1.071 287 I HN 0.583 nan 8.210 nan 0.000 0.419 288 E N 1.404 121.602 120.200 -0.005 0.000 2.118 288 E HA -0.238 4.125 4.350 0.023 0.000 0.195 288 E C 1.226 177.822 176.600 -0.006 0.000 0.992 288 E CA 1.250 57.647 56.400 -0.005 0.000 0.804 288 E CB -0.057 29.641 29.700 -0.003 0.000 0.741 288 E HN 0.454 nan 8.360 nan 0.000 0.458 289 N N 0.168 118.864 118.700 -0.006 0.000 2.313 289 N HA 0.053 4.807 4.740 0.023 0.000 0.207 289 N C 0.074 175.578 175.510 -0.009 0.000 1.141 289 N CA 0.752 53.798 53.050 -0.007 0.000 0.830 289 N CB 0.878 39.363 38.487 -0.004 0.000 1.008 289 N HN 0.318 nan 8.380 nan 0.000 0.481 290 G N 1.162 109.957 108.800 -0.009 0.000 2.350 290 G HA2 -0.263 3.711 3.960 0.023 0.000 0.298 290 G HA3 -0.263 3.711 3.960 0.023 0.000 0.298 290 G C 0.182 175.076 174.900 -0.010 0.000 1.037 290 G CA 0.395 45.489 45.100 -0.010 0.000 1.074 290 G HN 0.502 nan 8.290 nan 0.000 0.511 291 A N -0.322 122.494 122.820 -0.007 0.000 2.354 291 A HA 0.671 5.005 4.320 0.023 0.000 0.269 291 A C 0.856 178.434 177.584 -0.010 0.000 1.109 291 A CA -0.077 51.958 52.037 -0.004 0.000 0.800 291 A CB 0.499 19.500 19.000 0.001 0.000 1.045 291 A HN 0.560 nan 8.150 nan 0.000 0.489 292 Q N 1.248 121.040 119.800 -0.014 0.000 2.642 292 Q HA 0.412 4.765 4.340 0.023 0.000 0.319 292 Q C 0.782 176.760 176.000 -0.036 0.000 1.030 292 Q CA 0.748 56.534 55.803 -0.029 0.000 0.943 292 Q CB -0.073 28.642 28.738 -0.038 0.000 1.323 292 Q HN 1.363 nan 8.270 nan 0.000 0.419 293 G N 0.207 108.996 108.800 -0.019 0.000 2.526 293 G HA2 -0.197 3.777 3.960 0.023 0.000 0.250 293 G HA3 -0.197 3.777 3.960 0.023 0.000 0.250 293 G C -0.943 173.963 174.900 0.009 0.000 1.289 293 G CA -1.055 44.038 45.100 -0.011 0.000 0.947 293 G HN 0.255 nan 8.290 nan 0.000 0.517 294 I N 1.640 122.226 120.570 0.027 0.000 2.389 294 I HA 0.528 4.712 4.170 0.023 0.000 0.288 294 I C 1.388 177.548 176.117 0.071 0.000 0.999 294 I CA 0.094 61.427 61.300 0.056 0.000 1.129 294 I CB 1.812 39.866 38.000 0.091 0.000 1.288 294 I HN 0.867 nan 8.210 nan 0.000 0.444 295 G N 6.740 115.588 108.800 0.080 0.000 2.796 295 G HA2 0.215 4.189 3.960 0.023 0.000 0.210 295 G HA3 0.215 4.189 3.960 0.023 0.000 0.210 295 G C 0.261 175.249 174.900 0.146 0.000 1.146 295 G CA 0.208 45.375 45.100 0.111 0.000 0.779 295 G HN 0.416 nan 8.290 nan 0.000 0.535 296 L N 0.121 121.426 121.223 0.136 0.000 2.482 296 L HA 0.476 4.829 4.340 0.023 0.000 0.269 296 L C -2.021 174.956 176.870 0.179 0.000 0.967 296 L CA -1.134 53.799 54.840 0.154 0.000 0.851 296 L CB 2.427 44.559 42.059 0.122 0.000 1.242 296 L HN 0.086 nan 8.230 nan 0.000 0.404 297 Y N 5.245 125.596 120.300 0.084 0.000 2.575 297 Y HA 0.429 4.992 4.550 0.022 0.000 0.326 297 Y C -0.197 175.767 175.900 0.106 0.000 0.979 297 Y CA -0.943 57.212 58.100 0.091 0.000 1.286 297 Y CB 0.669 39.186 38.460 0.095 0.000 1.093 297 Y HN 0.488 nan 8.280 nan 0.000 0.501 298 R N 2.631 123.327 120.500 0.327 0.000 2.351 298 R HA 0.117 4.471 4.340 0.023 0.000 0.318 298 R C 0.914 177.459 176.300 0.408 0.000 1.055 298 R CA 0.764 57.035 56.100 0.286 0.000 0.968 298 R CB 0.404 30.795 30.300 0.151 0.000 0.974 298 R HN 0.756 nan 8.270 nan 0.000 0.439 299 T N -1.229 113.551 114.554 0.377 0.000 3.186 299 T HA 0.103 4.466 4.350 0.023 0.000 0.257 299 T C 0.722 175.637 174.700 0.358 0.000 1.029 299 T CA -0.267 62.075 62.100 0.403 0.000 0.916 299 T CB 0.198 69.293 68.868 0.379 0.000 1.041 299 T HN 0.421 nan 8.240 nan 0.000 0.562 300 E N 0.789 121.144 120.200 0.259 0.000 2.152 300 E HA 0.150 4.513 4.350 0.023 0.000 0.192 300 E C 2.049 178.775 176.600 0.208 0.000 0.983 300 E CA 1.445 57.976 56.400 0.217 0.000 0.818 300 E CB -0.873 28.904 29.700 0.128 0.000 0.758 300 E HN 0.723 nan 8.360 nan 0.000 0.467 301 F N 0.611 120.665 119.950 0.173 0.000 2.333 301 F HA -0.011 4.530 4.527 0.023 0.000 0.300 301 F C 2.083 177.950 175.800 0.111 0.000 1.083 301 F CA 1.363 59.435 58.000 0.121 0.000 1.395 301 F CB -0.755 38.302 39.000 0.094 0.000 1.056 301 F HN 0.107 nan 8.300 nan 0.000 0.529 302 L N -1.349 119.962 121.223 0.147 0.000 2.131 302 L HA 0.017 4.371 4.340 0.023 0.000 0.206 302 L C 2.192 179.041 176.870 -0.034 0.000 1.087 302 L CA 1.827 56.689 54.840 0.036 0.000 0.767 302 L CB -0.980 41.084 42.059 0.008 0.000 0.917 302 L HN 0.381 nan 8.230 nan 0.000 0.441 303 Y N -0.891 119.442 120.300 0.055 0.000 2.420 303 Y HA 0.204 4.768 4.550 0.022 0.000 0.292 303 Y C 1.676 177.593 175.900 0.028 0.000 1.119 303 Y CA 0.741 58.867 58.100 0.044 0.000 1.229 303 Y CB -0.437 38.056 38.460 0.055 0.000 1.026 303 Y HN 0.145 nan 8.280 nan 0.000 0.554 304 M N -0.272 119.428 119.600 0.167 0.000 2.255 304 M HA 0.576 5.070 4.480 0.023 0.000 0.336 304 M C 1.430 177.757 176.300 0.046 0.000 1.135 304 M CA -0.024 55.330 55.300 0.090 0.000 1.145 304 M CB -0.843 31.797 32.600 0.068 0.000 1.473 304 M HN 0.658 nan 8.290 nan 0.000 0.462 305 G N 0.036 108.850 108.800 0.022 0.000 2.295 305 G HA2 0.354 4.328 3.960 0.023 0.000 0.287 305 G HA3 0.354 4.328 3.960 0.023 0.000 0.287 305 G C -0.146 174.760 174.900 0.009 0.000 1.055 305 G CA 1.221 46.326 45.100 0.008 0.000 0.922 305 G HN 2.636 nan 8.290 nan 0.000 0.503 306 R N -2.261 118.247 120.500 0.013 0.000 2.836 306 R HA 0.914 5.268 4.340 0.023 0.000 0.269 306 R C 0.801 177.107 176.300 0.010 0.000 1.010 306 R CA 1.040 57.143 56.100 0.006 0.000 0.930 306 R CB -0.050 30.247 30.300 -0.004 0.000 1.218 306 R HN 1.093 nan 8.270 nan 0.000 0.473 307 D N -0.455 119.948 120.400 0.005 0.000 2.077 307 D HA 0.306 4.960 4.640 0.023 0.000 0.196 307 D C 1.036 177.346 176.300 0.016 0.000 0.986 307 D CA 2.332 56.337 54.000 0.009 0.000 0.829 307 D CB -0.143 40.660 40.800 0.005 0.000 0.983 307 D HN 1.255 nan 8.370 nan 0.000 0.453 308 Q N -0.978 118.830 119.800 0.012 0.000 2.399 308 Q HA 0.752 5.105 4.340 0.023 0.000 0.276 308 Q C 0.275 176.285 176.000 0.017 0.000 1.098 308 Q CA -0.280 55.536 55.803 0.022 0.000 0.827 308 Q CB 0.872 29.619 28.738 0.016 0.000 1.386 308 Q HN 0.942 nan 8.270 nan 0.000 0.443 309 M N 0.350 119.981 119.600 0.051 0.000 2.250 309 M HA 0.457 4.950 4.480 0.023 0.000 0.337 309 M C -2.126 174.126 176.300 -0.080 0.000 1.161 309 M CA -0.987 54.344 55.300 0.051 0.000 1.088 309 M CB -0.360 32.371 32.600 0.219 0.000 1.639 309 M HN 0.327 nan 8.290 nan 0.000 0.447 310 P HA 0.031 nan 4.420 nan 0.000 0.262 310 P C -0.185 177.010 177.300 -0.175 0.000 1.182 310 P CA 0.052 62.987 63.100 -0.275 0.000 0.761 310 P CB 0.336 31.746 31.700 -0.483 0.000 0.795 311 T N 0.976 115.472 114.554 -0.097 0.000 2.795 311 T HA -0.051 4.313 4.350 0.023 0.000 0.314 311 T C 1.384 176.058 174.700 -0.043 0.000 1.069 311 T CA -0.184 61.886 62.100 -0.050 0.000 1.071 311 T CB 0.286 69.135 68.868 -0.032 0.000 0.988 311 T HN 0.555 nan 8.240 nan 0.000 0.543 312 E N 0.725 120.917 120.200 -0.012 0.000 2.209 312 E HA -0.203 4.160 4.350 0.023 0.000 0.196 312 E C 1.651 178.273 176.600 0.036 0.000 0.993 312 E CA 1.463 57.870 56.400 0.013 0.000 0.819 312 E CB -0.023 29.672 29.700 -0.008 0.000 0.745 312 E HN 0.713 nan 8.360 nan 0.000 0.477 313 E N 1.130 121.339 120.200 0.014 0.000 2.015 313 E HA -0.192 4.172 4.350 0.023 0.000 0.191 313 E C 1.769 178.406 176.600 0.062 0.000 0.991 313 E CA 1.783 58.217 56.400 0.058 0.000 0.802 313 E CB -0.115 29.599 29.700 0.024 0.000 0.759 313 E HN 0.324 nan 8.360 nan 0.000 0.447 314 E N 0.127 120.312 120.200 -0.024 0.000 2.065 314 E HA -0.304 4.059 4.350 0.023 0.000 0.201 314 E C 2.283 178.777 176.600 -0.176 0.000 1.016 314 E CA 1.730 58.078 56.400 -0.087 0.000 0.818 314 E CB -0.229 29.401 29.700 -0.117 0.000 0.749 314 E HN 0.416 nan 8.360 nan 0.000 0.453 315 Q N 0.021 119.693 119.800 -0.213 0.000 2.030 315 Q HA -0.209 4.145 4.340 0.023 0.000 0.204 315 Q C 2.157 177.807 176.000 -0.583 0.000 0.986 315 Q CA 1.759 57.270 55.803 -0.487 0.000 0.843 315 Q CB -0.444 28.198 28.738 -0.159 0.000 0.904 315 Q HN 0.299 nan 8.270 nan 0.000 0.420 316 F N 2.182 122.011 119.950 -0.203 0.000 2.154 316 F HA -0.245 4.296 4.527 0.023 0.000 0.301 316 F C 1.935 177.678 175.800 -0.094 0.000 1.087 316 F CA 1.474 59.456 58.000 -0.029 0.000 1.274 316 F CB -0.009 39.005 39.000 0.023 0.000 1.009 316 F HN 0.008 nan 8.300 nan 0.000 0.485 317 E N 0.824 120.882 120.200 -0.238 0.000 2.051 317 E HA -0.207 4.156 4.350 0.023 0.000 0.192 317 E C 2.480 178.872 176.600 -0.347 0.000 0.991 317 E CA 1.329 57.541 56.400 -0.313 0.000 0.799 317 E CB -0.962 28.664 29.700 -0.123 0.000 0.748 317 E HN 0.540 nan 8.360 nan 0.000 0.449 318 A N 0.761 123.364 122.820 -0.362 0.000 1.897 318 A HA -0.144 4.190 4.320 0.023 0.000 0.215 318 A C 2.006 179.473 177.584 -0.193 0.000 1.181 318 A CA 1.017 52.889 52.037 -0.274 0.000 0.620 318 A CB -0.700 18.124 19.000 -0.292 0.000 0.821 318 A HN 0.178 nan 8.150 nan 0.000 0.443 319 Y N 0.312 120.509 120.300 -0.171 0.000 2.200 319 Y HA -0.146 4.418 4.550 0.023 0.000 0.290 319 Y C 2.301 178.081 175.900 -0.199 0.000 1.137 319 Y CA 1.171 59.160 58.100 -0.185 0.000 1.163 319 Y CB -0.714 37.650 38.460 -0.161 0.000 0.988 319 Y HN 0.358 nan 8.280 nan 0.000 0.518 320 K N 0.866 121.118 120.400 -0.246 0.000 2.063 320 K HA -0.271 4.063 4.320 0.023 0.000 0.208 320 K C 2.131 178.525 176.600 -0.343 0.000 1.048 320 K CA 1.853 57.873 56.287 -0.444 0.000 0.928 320 K CB -0.187 31.766 32.500 -0.913 0.000 0.713 320 K HN 0.459 nan 8.250 nan 0.000 0.442 321 E N 0.157 120.205 120.200 -0.253 0.000 2.051 321 E HA -0.169 4.194 4.350 0.023 0.000 0.192 321 E C 1.835 178.397 176.600 -0.064 0.000 0.991 321 E CA 1.573 57.878 56.400 -0.158 0.000 0.799 321 E CB 0.098 29.731 29.700 -0.112 0.000 0.748 321 E HN 0.190 nan 8.360 nan 0.000 0.449 322 V N 0.913 120.836 119.914 0.016 0.000 2.270 322 V HA -0.238 3.895 4.120 0.023 0.000 0.245 322 V C 2.435 178.565 176.094 0.059 0.000 1.043 322 V CA 1.193 63.547 62.300 0.091 0.000 1.014 322 V CB -0.544 31.435 31.823 0.261 0.000 0.645 322 V HN 0.280 nan 8.190 nan 0.000 0.447 323 L N 0.090 121.342 121.223 0.048 0.000 2.079 323 L HA -0.187 4.167 4.340 0.023 0.000 0.210 323 L C 2.443 179.337 176.870 0.041 0.000 1.081 323 L CA 1.729 56.604 54.840 0.058 0.000 0.752 323 L CB -1.052 41.064 42.059 0.095 0.000 0.896 323 L HN 0.433 nan 8.230 nan 0.000 0.433 324 E N -0.999 119.192 120.200 -0.016 0.000 2.028 324 E HA -0.149 4.215 4.350 0.023 0.000 0.190 324 E C 2.223 178.820 176.600 -0.005 0.000 0.984 324 E CA 1.010 57.398 56.400 -0.021 0.000 0.800 324 E CB -0.251 29.389 29.700 -0.101 0.000 0.758 324 E HN 0.472 nan 8.360 nan 0.000 0.448 325 A N 0.838 123.651 122.820 -0.011 0.000 2.076 325 A HA -0.163 4.171 4.320 0.023 0.000 0.220 325 A C 1.906 179.495 177.584 0.008 0.000 1.160 325 A CA 1.189 53.224 52.037 -0.002 0.000 0.653 325 A CB -0.188 18.811 19.000 -0.001 0.000 0.801 325 A HN 0.141 nan 8.150 nan 0.000 0.455 326 M N -1.349 118.261 119.600 0.018 0.000 2.428 326 M HA 0.164 4.657 4.480 0.023 0.000 0.239 326 M C 1.395 177.704 176.300 0.015 0.000 1.121 326 M CA 0.244 55.555 55.300 0.019 0.000 1.019 326 M CB -1.105 31.513 32.600 0.029 0.000 1.485 326 M HN 0.609 nan 8.290 nan 0.000 0.484 327 G N 1.600 110.412 108.800 0.019 0.000 2.450 327 G HA2 -0.152 3.821 3.960 0.023 0.000 0.302 327 G HA3 -0.152 3.821 3.960 0.023 0.000 0.302 327 G C 1.051 175.961 174.900 0.017 0.000 0.957 327 G CA 0.869 45.981 45.100 0.020 0.000 1.005 327 G HN 0.849 nan 8.290 nan 0.000 0.514 328 G N -1.813 107.000 108.800 0.022 0.000 2.201 328 G HA2 -0.212 3.761 3.960 0.023 0.000 0.212 328 G HA3 -0.212 3.761 3.960 0.023 0.000 0.212 328 G C 0.404 175.304 174.900 -0.001 0.000 0.994 328 G CA 0.538 45.646 45.100 0.014 0.000 0.644 328 G HN 0.883 nan 8.290 nan 0.000 0.508 329 K N 0.894 121.293 120.400 -0.002 0.000 2.270 329 K HA 0.381 4.715 4.320 0.023 0.000 0.276 329 K C 0.954 177.545 176.600 -0.014 0.000 1.023 329 K CA -0.691 55.586 56.287 -0.017 0.000 0.955 329 K CB 0.861 33.352 32.500 -0.015 0.000 0.975 329 K HN 0.319 nan 8.250 nan 0.000 0.471 330 R N 1.892 122.367 120.500 -0.042 0.000 2.566 330 R HA -0.031 4.322 4.340 0.023 0.000 0.273 330 R C -1.025 175.271 176.300 -0.007 0.000 0.981 330 R CA 0.237 56.310 56.100 -0.046 0.000 1.091 330 R CB 0.272 30.504 30.300 -0.114 0.000 0.924 330 R HN 0.266 nan 8.270 nan 0.000 0.411 331 V N 6.070 125.995 119.914 0.017 0.000 2.447 331 V HA 0.182 4.315 4.120 0.023 0.000 0.292 331 V C -0.531 175.599 176.094 0.060 0.000 1.021 331 V CA -0.806 61.532 62.300 0.062 0.000 0.850 331 V CB 1.857 33.733 31.823 0.089 0.000 1.005 331 V HN 0.534 nan 8.190 nan 0.000 0.426 332 V N 6.098 126.065 119.914 0.088 0.000 2.320 332 V HA 0.310 4.444 4.120 0.023 0.000 0.265 332 V C 0.179 176.353 176.094 0.134 0.000 1.048 332 V CA -0.425 61.940 62.300 0.108 0.000 0.865 332 V CB 1.358 33.264 31.823 0.138 0.000 1.043 332 V HN 0.591 nan 8.190 nan 0.000 0.474 333 V N 5.998 125.941 119.914 0.048 0.000 2.465 333 V HA 0.403 4.537 4.120 0.023 0.000 0.279 333 V C 0.464 176.565 176.094 0.013 0.000 1.045 333 V CA -0.576 61.710 62.300 -0.023 0.000 0.938 333 V CB 1.436 33.089 31.823 -0.282 0.000 0.986 333 V HN 0.859 nan 8.190 nan 0.000 0.467 334 R N 3.078 123.629 120.500 0.085 0.000 2.229 334 R HA 0.359 4.712 4.340 0.023 0.000 0.328 334 R C 0.058 176.427 176.300 0.115 0.000 1.009 334 R CA -0.400 55.761 56.100 0.100 0.000 0.864 334 R CB 0.961 31.342 30.300 0.136 0.000 1.085 334 R HN 0.797 nan 8.270 nan 0.000 0.453 335 T N 4.287 118.929 114.554 0.147 0.000 2.934 335 T HA -0.104 4.259 4.350 0.023 0.000 0.321 335 T C 0.338 175.136 174.700 0.164 0.000 1.080 335 T CA 0.021 62.262 62.100 0.236 0.000 1.132 335 T CB 0.127 69.266 68.868 0.451 0.000 1.039 335 T HN 0.475 nan 8.240 nan 0.000 0.543 336 L N 3.495 124.796 121.223 0.129 0.000 2.706 336 L HA 0.031 4.384 4.340 0.023 0.000 0.282 336 L C 0.229 177.084 176.870 -0.025 0.000 1.219 336 L CA 0.625 55.456 54.840 -0.015 0.000 0.935 336 L CB -0.039 41.857 42.059 -0.271 0.000 1.204 336 L HN 0.597 nan 8.230 nan 0.000 0.491 337 D N 5.024 125.420 120.400 -0.006 0.000 2.468 337 D HA 0.154 4.808 4.640 0.023 0.000 0.272 337 D C -0.873 175.423 176.300 -0.007 0.000 1.221 337 D CA -0.425 53.568 54.000 -0.011 0.000 0.860 337 D CB 0.215 41.033 40.800 0.029 0.000 1.190 337 D HN 0.422 nan 8.370 nan 0.000 0.509 338 I N 1.936 122.482 120.570 -0.040 0.000 2.396 338 I HA 0.481 4.665 4.170 0.023 0.000 0.289 338 I C 0.934 177.045 176.117 -0.010 0.000 1.056 338 I CA -0.019 61.270 61.300 -0.019 0.000 1.365 338 I CB 1.008 38.988 38.000 -0.033 0.000 1.407 338 I HN 0.333 nan 8.210 nan 0.000 0.509 339 G N 5.326 114.132 108.800 0.010 0.000 2.353 339 G HA2 0.235 4.209 3.960 0.023 0.000 0.239 339 G HA3 0.235 4.209 3.960 0.023 0.000 0.239 339 G C 0.986 175.897 174.900 0.018 0.000 1.295 339 G CA 0.009 45.120 45.100 0.019 0.000 0.884 339 G HN 1.050 nan 8.290 nan 0.000 0.537 340 G N 0.529 109.347 108.800 0.030 0.000 2.475 340 G HA2 0.043 4.017 3.960 0.023 0.000 0.220 340 G HA3 0.043 4.017 3.960 0.023 0.000 0.220 340 G C 0.911 175.831 174.900 0.035 0.000 1.125 340 G CA 1.314 46.438 45.100 0.039 0.000 0.755 340 G HN 0.983 nan 8.290 nan 0.000 0.565 341 D N -0.021 120.397 120.400 0.030 0.000 3.139 341 D HA 0.641 5.295 4.640 0.023 0.000 0.268 341 D C 0.536 176.846 176.300 0.017 0.000 1.322 341 D CA 0.667 54.683 54.000 0.027 0.000 0.940 341 D CB -0.427 40.392 40.800 0.031 0.000 1.050 341 D HN 0.800 nan 8.370 nan 0.000 0.503 342 K N -0.914 119.489 120.400 0.005 0.000 2.372 342 K HA 0.917 5.251 4.320 0.023 0.000 0.251 342 K C 1.113 177.687 176.600 -0.043 0.000 1.055 342 K CA 0.367 56.643 56.287 -0.018 0.000 0.879 342 K CB -0.076 32.419 32.500 -0.009 0.000 1.384 342 K HN 0.524 nan 8.250 nan 0.000 0.465 343 E N -0.788 119.362 120.200 -0.083 0.000 2.029 343 E HA 0.446 4.809 4.350 0.023 0.000 0.217 343 E C 1.709 178.280 176.600 -0.047 0.000 0.903 343 E CA 2.980 59.316 56.400 -0.107 0.000 1.062 343 E CB -1.562 28.039 29.700 -0.165 0.000 0.908 343 E HN 2.514 nan 8.360 nan 0.000 0.569 344 L N -1.429 119.776 121.223 -0.030 0.000 3.550 344 L HA 0.183 4.536 4.340 0.023 0.000 0.523 344 L C 1.163 178.035 176.870 0.003 0.000 1.312 344 L CA 1.670 56.512 54.840 0.003 0.000 0.864 344 L CB -3.034 39.033 42.059 0.014 0.000 1.592 344 L HN 1.681 nan 8.230 nan 0.000 0.859 345 S N -1.533 114.161 115.700 -0.010 0.000 3.122 345 S HA 0.721 5.205 4.470 0.023 0.000 0.249 345 S C 1.000 175.606 174.600 0.010 0.000 1.334 345 S CA 0.979 59.176 58.200 -0.005 0.000 1.251 345 S CB -0.582 62.606 63.200 -0.020 0.000 1.034 345 S HN 2.541 nan 8.310 nan 0.000 0.478 346 Y N -1.919 118.395 120.300 0.023 0.000 2.922 346 Y HA 0.598 5.161 4.550 0.023 0.000 0.294 346 Y C 0.033 175.958 175.900 0.042 0.000 0.979 346 Y CA -0.003 58.116 58.100 0.032 0.000 1.228 346 Y CB -0.869 37.613 38.460 0.036 0.000 1.425 346 Y HN 0.977 nan 8.280 nan 0.000 0.588 347 L N -0.316 120.933 121.223 0.042 0.000 2.323 347 L HA 0.916 5.269 4.340 0.023 0.000 0.265 347 L C -0.060 176.839 176.870 0.047 0.000 1.012 347 L CA -1.073 53.797 54.840 0.051 0.000 0.820 347 L CB 0.494 42.586 42.059 0.055 0.000 1.334 347 L HN 1.220 nan 8.230 nan 0.000 0.427 348 N N 0.276 119.008 118.700 0.054 0.000 2.420 348 N HA 0.910 5.664 4.740 0.023 0.000 0.249 348 N C -0.635 174.915 175.510 0.068 0.000 1.033 348 N CA 0.393 53.473 53.050 0.049 0.000 0.944 348 N CB 0.954 39.466 38.487 0.041 0.000 1.113 348 N HN 2.524 nan 8.380 nan 0.000 0.502 349 L N 0.245 121.502 121.223 0.057 0.000 2.526 349 L HA 1.013 5.367 4.340 0.023 0.000 0.263 349 L C -0.878 176.013 176.870 0.035 0.000 0.943 349 L CA -1.067 53.818 54.840 0.076 0.000 0.859 349 L CB 0.221 42.351 42.059 0.119 0.000 1.313 349 L HN 1.004 nan 8.230 nan 0.000 0.406 350 P HA 0.566 nan 4.420 nan 0.000 0.270 350 P C 0.915 178.222 177.300 0.012 0.000 1.223 350 P CA 0.947 64.039 63.100 -0.013 0.000 0.785 350 P CB 0.571 32.238 31.700 -0.055 0.000 0.923 351 E N 0.443 120.649 120.200 0.009 0.000 2.106 351 E HA 0.011 4.374 4.350 0.023 0.000 0.192 351 E C 0.769 177.384 176.600 0.024 0.000 0.984 351 E CA 1.339 57.751 56.400 0.020 0.000 0.806 351 E CB -0.875 28.835 29.700 0.017 0.000 0.750 351 E HN 1.061 nan 8.360 nan 0.000 0.458 352 E N -3.735 116.474 120.200 0.015 0.000 6.659 352 E HA -0.234 4.130 4.350 0.023 0.000 0.432 352 E C 1.028 177.643 176.600 0.026 0.000 0.432 352 E CA 0.665 57.077 56.400 0.019 0.000 0.837 352 E CB -1.929 27.792 29.700 0.034 0.000 0.863 352 E HN 0.856 nan 8.360 nan 0.000 0.345 353 M N 2.912 122.525 119.600 0.021 0.000 2.088 353 M HA -0.190 4.303 4.480 0.023 0.000 0.256 353 M C 1.042 177.360 176.300 0.031 0.000 1.071 353 M CA 2.657 57.971 55.300 0.023 0.000 1.097 353 M CB -0.942 31.670 32.600 0.019 0.000 1.315 353 M HN 0.596 nan 8.290 nan 0.000 0.406 354 N N -0.698 118.024 118.700 0.036 0.000 2.746 354 N HA 0.417 5.171 4.740 0.023 0.000 0.250 354 N C -2.461 173.083 175.510 0.057 0.000 1.146 354 N CA -1.954 51.123 53.050 0.045 0.000 0.828 354 N CB 1.173 39.688 38.487 0.046 0.000 1.158 354 N HN 0.159 nan 8.380 nan 0.000 0.519 355 P HA -0.145 nan 4.420 nan 0.000 0.216 355 P C 1.502 178.849 177.300 0.078 0.000 1.150 355 P CA 1.380 64.519 63.100 0.066 0.000 0.843 355 P CB 0.067 31.800 31.700 0.054 0.000 0.787 356 F N -1.234 118.764 119.950 0.080 0.000 2.771 356 F HA 0.092 4.633 4.527 0.023 0.000 0.299 356 F C 1.940 177.859 175.800 0.199 0.000 1.177 356 F CA 0.775 58.843 58.000 0.113 0.000 1.450 356 F CB -1.465 37.572 39.000 0.061 0.000 1.114 356 F HN -0.068 nan 8.300 nan 0.000 0.587 357 L N -1.526 119.782 121.223 0.143 0.000 2.781 357 L HA 0.300 4.653 4.340 0.023 0.000 0.245 357 L C 1.994 178.906 176.870 0.070 0.000 1.118 357 L CA 0.596 55.512 54.840 0.127 0.000 0.918 357 L CB 0.504 42.624 42.059 0.101 0.000 1.246 357 L HN 0.366 nan 8.230 nan 0.000 0.526 358 G N -1.330 107.519 108.800 0.081 0.000 3.441 358 G HA2 -0.023 3.951 3.960 0.023 0.000 0.195 358 G HA3 -0.023 3.951 3.960 0.023 0.000 0.195 358 G C -1.065 173.912 174.900 0.129 0.000 1.633 358 G CA -0.188 44.968 45.100 0.093 0.000 0.895 358 G HN -0.087 nan 8.290 nan 0.000 0.654 359 Y N 2.852 123.146 120.300 -0.010 0.000 2.613 359 Y HA 0.473 5.037 4.550 0.023 0.000 0.354 359 Y C 0.899 176.787 175.900 -0.021 0.000 1.063 359 Y CA -0.599 57.488 58.100 -0.023 0.000 1.384 359 Y CB -0.645 37.803 38.460 -0.021 0.000 1.199 359 Y HN 0.473 nan 8.280 nan 0.000 0.517 360 R N 2.953 123.343 120.500 -0.183 0.000 2.728 360 R HA 0.814 5.168 4.340 0.023 0.000 0.274 360 R C 0.021 176.198 176.300 -0.205 0.000 1.030 360 R CA -0.524 55.470 56.100 -0.176 0.000 0.876 360 R CB 0.302 30.573 30.300 -0.047 0.000 1.259 360 R HN 0.624 nan 8.270 nan 0.000 0.468 361 A N 0.718 123.441 122.820 -0.161 0.000 5.391 361 A HA -0.329 4.005 4.320 0.023 0.000 0.315 361 A C 1.032 178.480 177.584 -0.227 0.000 1.874 361 A CA 1.350 53.305 52.037 -0.138 0.000 0.714 361 A CB -1.814 17.142 19.000 -0.073 0.000 1.335 361 A HN 0.938 nan 8.150 nan 0.000 0.382 362 I N -0.518 119.924 120.570 -0.214 0.000 2.676 362 I HA -0.131 4.052 4.170 0.023 0.000 0.259 362 I C 2.500 178.401 176.117 -0.360 0.000 1.194 362 I CA 1.878 62.974 61.300 -0.339 0.000 1.473 362 I CB -0.262 37.568 38.000 -0.284 0.000 1.096 362 I HN 0.622 nan 8.210 nan 0.000 0.443 363 R N 0.276 120.607 120.500 -0.281 0.000 2.080 363 R HA -0.234 4.120 4.340 0.023 0.000 0.236 363 R C 2.102 178.127 176.300 -0.457 0.000 1.137 363 R CA 1.792 57.733 56.100 -0.265 0.000 0.943 363 R CB -0.745 29.450 30.300 -0.175 0.000 0.846 363 R HN 0.299 nan 8.270 nan 0.000 0.431 364 L N 0.201 120.994 121.223 -0.716 0.000 2.017 364 L HA -0.150 4.204 4.340 0.023 0.000 0.208 364 L C 2.167 178.762 176.870 -0.457 0.000 1.073 364 L CA 2.326 56.617 54.840 -0.915 0.000 0.745 364 L CB -1.244 40.383 42.059 -0.720 0.000 0.894 364 L HN 0.263 nan 8.230 nan 0.000 0.432 365 S N -0.372 115.062 115.700 -0.443 0.000 2.369 365 S HA -0.189 4.295 4.470 0.023 0.000 0.225 365 S C 1.100 175.410 174.600 -0.483 0.000 1.043 365 S CA 1.091 58.963 58.200 -0.546 0.000 1.074 365 S CB -0.775 61.798 63.200 -1.045 0.000 0.962 365 S HN 0.362 nan 8.310 nan 0.000 0.433 366 L N 1.120 122.066 121.223 -0.462 0.000 2.439 366 L HA 0.401 4.755 4.340 0.023 0.000 0.269 366 L C 1.444 178.251 176.870 -0.106 0.000 1.179 366 L CA 0.095 54.777 54.840 -0.263 0.000 0.828 366 L CB 0.442 42.359 42.059 -0.237 0.000 1.106 366 L HN 0.578 nan 8.230 nan 0.000 0.467 367 A N 2.158 124.958 122.820 -0.033 0.000 3.383 367 A HA -0.181 4.153 4.320 0.023 0.000 0.264 367 A C 0.706 178.324 177.584 0.056 0.000 1.154 367 A CA 0.864 52.920 52.037 0.032 0.000 1.179 367 A CB -1.219 17.834 19.000 0.089 0.000 1.133 367 A HN 0.724 nan 8.150 nan 0.000 0.933 368 Q N -0.899 118.921 119.800 0.033 0.000 2.563 368 Q HA 0.231 4.584 4.340 0.023 0.000 0.367 368 Q C 0.453 176.513 176.000 0.100 0.000 0.845 368 Q CA -0.027 55.813 55.803 0.062 0.000 1.077 368 Q CB 0.438 29.205 28.738 0.048 0.000 1.409 368 Q HN 0.855 nan 8.270 nan 0.000 0.396 369 Q N 0.413 120.275 119.800 0.103 0.000 2.515 369 Q HA -0.109 4.245 4.340 0.023 0.000 0.212 369 Q C 0.801 176.869 176.000 0.114 0.000 0.970 369 Q CA 1.051 56.948 55.803 0.157 0.000 0.941 369 Q CB 0.282 29.088 28.738 0.113 0.000 0.998 369 Q HN 0.367 nan 8.270 nan 0.000 0.518 370 D N -0.436 120.019 120.400 0.092 0.000 2.360 370 D HA -0.055 4.598 4.640 0.023 0.000 0.210 370 D C 1.289 177.642 176.300 0.088 0.000 1.047 370 D CA 0.100 54.142 54.000 0.070 0.000 0.854 370 D CB 0.273 41.105 40.800 0.055 0.000 0.936 370 D HN 0.146 nan 8.370 nan 0.000 0.514 371 I N -0.590 120.053 120.570 0.122 0.000 4.403 371 I HA 0.175 4.359 4.170 0.023 0.000 0.331 371 I C 0.420 176.655 176.117 0.197 0.000 1.327 371 I CA -0.071 61.319 61.300 0.148 0.000 1.175 371 I CB 0.204 38.278 38.000 0.123 0.000 1.165 371 I HN -0.120 nan 8.210 nan 0.000 0.413 372 F N 1.241 121.205 119.950 0.022 0.000 2.622 372 F HA 0.229 4.769 4.527 0.022 0.000 0.288 372 F C 2.323 178.145 175.800 0.037 0.000 1.120 372 F CA 0.641 58.645 58.000 0.008 0.000 1.423 372 F CB -0.257 38.715 39.000 -0.047 0.000 1.127 372 F HN -0.189 nan 8.300 nan 0.000 0.588 373 R N 0.735 121.144 120.500 -0.152 0.000 2.075 373 R HA -0.030 4.323 4.340 0.023 0.000 0.232 373 R C -0.717 175.488 176.300 -0.158 0.000 1.126 373 R CA 1.583 57.541 56.100 -0.236 0.000 0.963 373 R CB -1.359 28.893 30.300 -0.081 0.000 0.858 373 R HN 0.184 nan 8.270 nan 0.000 0.435 374 P HA -0.216 nan 4.420 nan 0.000 0.216 374 P C 0.783 178.097 177.300 0.023 0.000 1.150 374 P CA 1.391 64.491 63.100 0.001 0.000 0.843 374 P CB -0.041 31.692 31.700 0.055 0.000 0.787 375 Q N -0.559 119.259 119.800 0.031 0.000 2.050 375 Q HA -0.142 4.212 4.340 0.023 0.000 0.202 375 Q C 2.061 178.047 176.000 -0.024 0.000 0.980 375 Q CA 1.331 57.190 55.803 0.094 0.000 0.840 375 Q CB -0.574 28.243 28.738 0.131 0.000 0.898 375 Q HN 0.188 nan 8.270 nan 0.000 0.424 376 L N 0.441 121.551 121.223 -0.189 0.000 2.017 376 L HA -0.200 4.154 4.340 0.023 0.000 0.208 376 L C 2.621 179.434 176.870 -0.095 0.000 1.073 376 L CA 1.763 56.490 54.840 -0.189 0.000 0.745 376 L CB -0.621 41.252 42.059 -0.310 0.000 0.894 376 L HN 0.287 nan 8.230 nan 0.000 0.432 377 R N 0.631 121.079 120.500 -0.088 0.000 2.193 377 R HA -0.067 4.287 4.340 0.023 0.000 0.229 377 R C 2.116 178.406 176.300 -0.018 0.000 1.110 377 R CA 1.135 57.194 56.100 -0.068 0.000 0.988 377 R CB -0.621 29.625 30.300 -0.090 0.000 0.871 377 R HN 0.286 nan 8.270 nan 0.000 0.458 378 A N 1.664 124.522 122.820 0.063 0.000 1.935 378 A HA 0.099 4.433 4.320 0.023 0.000 0.214 378 A C 2.173 179.929 177.584 0.287 0.000 1.178 378 A CA 0.516 52.690 52.037 0.229 0.000 0.640 378 A CB -0.198 19.006 19.000 0.340 0.000 0.825 378 A HN 0.228 nan 8.150 nan 0.000 0.447 379 L N -0.858 120.413 121.223 0.081 0.000 2.156 379 L HA -0.104 4.250 4.340 0.023 0.000 0.208 379 L C 2.196 179.081 176.870 0.026 0.000 1.095 379 L CA 0.408 55.213 54.840 -0.058 0.000 0.770 379 L CB -0.415 41.503 42.059 -0.235 0.000 0.914 379 L HN 0.252 nan 8.230 nan 0.000 0.439 380 L N -0.458 120.780 121.223 0.025 0.000 2.093 380 L HA -0.107 4.247 4.340 0.023 0.000 0.208 380 L C 2.634 179.545 176.870 0.068 0.000 1.085 380 L CA 1.589 56.444 54.840 0.025 0.000 0.755 380 L CB -0.696 41.358 42.059 -0.009 0.000 0.904 380 L HN 0.130 nan 8.230 nan 0.000 0.435 381 R N -0.909 119.660 120.500 0.114 0.000 2.153 381 R HA 0.078 4.431 4.340 0.023 0.000 0.218 381 R C 1.993 178.548 176.300 0.424 0.000 1.072 381 R CA 0.973 57.178 56.100 0.176 0.000 0.990 381 R CB -0.323 29.982 30.300 0.008 0.000 0.889 381 R HN 0.305 nan 8.270 nan 0.000 0.452 382 A N 1.089 124.183 122.820 0.457 0.000 2.169 382 A HA -0.051 4.282 4.320 0.023 0.000 0.212 382 A C 2.068 179.844 177.584 0.320 0.000 1.153 382 A CA 0.895 53.203 52.037 0.452 0.000 0.756 382 A CB -0.131 19.035 19.000 0.276 0.000 0.813 382 A HN 0.331 nan 8.150 nan 0.000 0.471 383 S N 0.315 116.112 115.700 0.161 0.000 2.481 383 S HA -0.098 4.386 4.470 0.023 0.000 0.231 383 S C 1.600 176.213 174.600 0.021 0.000 0.996 383 S CA 1.113 59.361 58.200 0.080 0.000 0.942 383 S CB -1.091 62.133 63.200 0.040 0.000 0.768 383 S HN 0.974 nan 8.310 nan 0.000 0.520 384 V N -2.138 117.727 119.914 -0.081 0.000 3.241 384 V HA 0.064 4.198 4.120 0.023 0.000 0.269 384 V C 1.551 177.447 176.094 -0.330 0.000 1.151 384 V CA 0.610 62.770 62.300 -0.234 0.000 1.158 384 V CB -1.611 30.012 31.823 -0.335 0.000 0.764 384 V HN 0.444 nan 8.190 nan 0.000 0.508 385 Y N 1.920 122.246 120.300 0.044 0.000 2.344 385 Y HA 0.656 5.219 4.550 0.022 0.000 0.261 385 Y C 2.099 178.010 175.900 0.017 0.000 1.080 385 Y CA 0.755 58.871 58.100 0.027 0.000 1.151 385 Y CB -1.055 37.413 38.460 0.012 0.000 1.059 385 Y HN 0.296 nan 8.280 nan 0.000 0.490 386 G N -0.004 108.917 108.800 0.202 0.000 2.568 386 G HA2 0.298 4.271 3.960 0.023 0.000 0.293 386 G HA3 0.298 4.271 3.960 0.023 0.000 0.293 386 G C -1.048 173.892 174.900 0.067 0.000 1.347 386 G CA -0.739 44.424 45.100 0.105 0.000 1.039 386 G HN 0.058 nan 8.290 nan 0.000 0.523 387 K N 0.026 120.451 120.400 0.042 0.000 2.292 387 K HA 0.339 4.673 4.320 0.023 0.000 0.290 387 K C -0.941 175.674 176.600 0.025 0.000 1.083 387 K CA -0.499 55.803 56.287 0.025 0.000 0.918 387 K CB 0.335 32.838 32.500 0.004 0.000 1.089 387 K HN 0.216 nan 8.250 nan 0.000 0.473 388 L N 4.584 125.824 121.223 0.028 0.000 2.309 388 L HA 0.366 4.719 4.340 0.023 0.000 0.282 388 L C -1.101 175.787 176.870 0.030 0.000 1.036 388 L CA 0.055 54.907 54.840 0.021 0.000 0.806 388 L CB 1.281 43.346 42.059 0.011 0.000 1.220 388 L HN 0.658 nan 8.230 nan 0.000 0.429 389 N N 5.478 124.199 118.700 0.034 0.000 2.314 389 N HA 0.575 5.328 4.740 0.023 0.000 0.294 389 N C -1.312 174.254 175.510 0.093 0.000 1.029 389 N CA -0.677 52.432 53.050 0.098 0.000 0.845 389 N CB 1.952 40.468 38.487 0.048 0.000 1.321 389 N HN 0.463 nan 8.380 nan 0.000 0.481 390 I N 2.671 123.289 120.570 0.080 0.000 2.493 390 I HA 0.493 4.677 4.170 0.023 0.000 0.298 390 I C -0.309 175.688 176.117 -0.200 0.000 0.998 390 I CA -0.777 60.473 61.300 -0.083 0.000 1.137 390 I CB 1.565 39.460 38.000 -0.175 0.000 1.310 390 I HN 0.457 nan 8.210 nan 0.000 0.445 391 M N 4.005 123.438 119.600 -0.279 0.000 2.421 391 M HA 0.592 5.086 4.480 0.023 0.000 0.287 391 M C -2.063 174.036 176.300 -0.334 0.000 1.183 391 M CA -0.507 54.542 55.300 -0.417 0.000 0.916 391 M CB 2.316 34.844 32.600 -0.120 0.000 1.701 391 M HN 0.176 nan 8.290 nan 0.000 0.470 392 F N 1.672 121.643 119.950 0.034 0.000 2.421 392 F HA 0.765 5.306 4.527 0.023 0.000 0.337 392 F C -2.418 173.386 175.800 0.008 0.000 1.105 392 F CA -2.340 55.680 58.000 0.035 0.000 1.049 392 F CB 0.790 39.810 39.000 0.033 0.000 1.139 392 F HN 0.366 nan 8.300 nan 0.000 0.479 393 P HA 0.206 nan 4.420 nan 0.000 0.279 393 P C -0.138 177.184 177.300 0.036 0.000 1.252 393 P CA -0.409 62.741 63.100 0.082 0.000 0.811 393 P CB 0.714 32.453 31.700 0.065 0.000 1.035 394 M N -1.670 117.929 119.600 -0.001 0.000 2.249 394 M HA -0.136 4.358 4.480 0.023 0.000 0.198 394 M C -0.973 175.291 176.300 -0.060 0.000 0.394 394 M CA 0.597 55.864 55.300 -0.055 0.000 0.427 394 M CB -2.675 29.887 32.600 -0.064 0.000 1.307 394 M HN 0.049 nan 8.290 nan 0.000 0.924 395 V N 0.626 120.518 119.914 -0.036 0.000 2.334 395 V HA 0.459 4.592 4.120 0.023 0.000 0.267 395 V C 1.275 177.328 176.094 -0.068 0.000 1.040 395 V CA 0.609 62.911 62.300 0.004 0.000 0.866 395 V CB 1.171 33.064 31.823 0.118 0.000 1.019 395 V HN 0.622 nan 8.190 nan 0.000 0.468 396 A N 4.227 127.033 122.820 -0.024 0.000 2.115 396 A HA 0.328 4.662 4.320 0.023 0.000 0.211 396 A C 1.079 178.738 177.584 0.126 0.000 1.169 396 A CA 0.866 52.879 52.037 -0.040 0.000 0.787 396 A CB 0.221 19.175 19.000 -0.076 0.000 0.858 396 A HN 0.742 nan 8.150 nan 0.000 0.474 397 T N -4.147 110.548 114.554 0.235 0.000 2.901 397 T HA 0.575 4.938 4.350 0.023 0.000 0.293 397 T C 0.814 175.710 174.700 0.328 0.000 1.084 397 T CA -0.661 61.611 62.100 0.286 0.000 1.008 397 T CB 0.900 69.827 68.868 0.099 0.000 1.170 397 T HN -0.134 nan 8.240 nan 0.000 0.509 398 I N 2.209 122.777 120.570 -0.004 0.000 2.110 398 I HA -0.131 4.052 4.170 0.023 0.000 0.236 398 I C 2.412 178.548 176.117 0.032 0.000 1.068 398 I CA 1.950 63.118 61.300 -0.220 0.000 1.333 398 I CB -1.411 36.357 38.000 -0.387 0.000 1.054 398 I HN 0.879 nan 8.210 nan 0.000 0.402 399 N N 0.983 119.685 118.700 0.003 0.000 2.585 399 N HA -0.201 4.553 4.740 0.023 0.000 0.188 399 N C 1.392 176.915 175.510 0.022 0.000 1.102 399 N CA 0.911 53.971 53.050 0.016 0.000 0.920 399 N CB -0.652 37.828 38.487 -0.011 0.000 0.963 399 N HN 0.463 nan 8.380 nan 0.000 0.447 400 E N -0.441 119.791 120.200 0.053 0.000 2.047 400 E HA -0.130 4.233 4.350 0.023 0.000 0.191 400 E C 1.217 177.829 176.600 0.019 0.000 0.987 400 E CA 0.847 57.257 56.400 0.017 0.000 0.799 400 E CB -0.236 29.488 29.700 0.040 0.000 0.752 400 E HN 0.464 nan 8.360 nan 0.000 0.449 401 F N 1.769 121.726 119.950 0.012 0.000 2.186 401 F HA -0.122 4.420 4.527 0.025 0.000 0.299 401 F C 2.163 177.964 175.800 0.003 0.000 1.090 401 F CA 1.330 59.359 58.000 0.048 0.000 1.307 401 F CB 0.119 39.231 39.000 0.188 0.000 1.019 401 F HN -0.189 nan 8.300 nan 0.000 0.489 402 R N 0.311 120.856 120.500 0.076 0.000 2.092 402 R HA -0.126 4.227 4.340 0.023 0.000 0.231 402 R C 2.108 178.335 176.300 -0.122 0.000 1.119 402 R CA 1.719 57.801 56.100 -0.030 0.000 0.970 402 R CB -0.462 29.863 30.300 0.041 0.000 0.864 402 R HN 0.434 nan 8.270 nan 0.000 0.440 403 E N 0.634 120.765 120.200 -0.116 0.000 2.047 403 E HA -0.153 4.211 4.350 0.023 0.000 0.191 403 E C 2.121 178.612 176.600 -0.183 0.000 0.987 403 E CA 1.143 57.468 56.400 -0.125 0.000 0.799 403 E CB -0.114 29.520 29.700 -0.110 0.000 0.752 403 E HN 0.337 nan 8.360 nan 0.000 0.449 404 A N 1.909 124.541 122.820 -0.313 0.000 1.877 404 A HA -0.253 4.081 4.320 0.023 0.000 0.216 404 A C 2.089 179.493 177.584 -0.300 0.000 1.186 404 A CA 1.783 53.557 52.037 -0.438 0.000 0.620 404 A CB -0.474 17.911 19.000 -1.025 0.000 0.822 404 A HN 0.089 nan 8.150 nan 0.000 0.443 405 K N -0.257 119.924 120.400 -0.366 0.000 2.103 405 K HA -0.137 4.196 4.320 0.023 0.000 0.207 405 K C 2.086 178.616 176.600 -0.116 0.000 1.048 405 K CA 1.335 57.482 56.287 -0.233 0.000 0.930 405 K CB -0.338 31.898 32.500 -0.440 0.000 0.716 405 K HN 0.373 nan 8.250 nan 0.000 0.444 406 A N 1.305 124.054 122.820 -0.118 0.000 1.933 406 A HA -0.110 4.224 4.320 0.023 0.000 0.218 406 A C 2.048 179.608 177.584 -0.040 0.000 1.175 406 A CA 1.291 53.290 52.037 -0.064 0.000 0.628 406 A CB -0.455 18.510 19.000 -0.058 0.000 0.814 406 A HN 0.352 nan 8.150 nan 0.000 0.444 407 I N -1.031 119.517 120.570 -0.036 0.000 2.315 407 I HA -0.213 3.971 4.170 0.023 0.000 0.248 407 I C 2.426 178.535 176.117 -0.014 0.000 1.117 407 I CA 1.040 62.339 61.300 -0.002 0.000 1.404 407 I CB -0.266 37.778 38.000 0.073 0.000 1.071 407 I HN 0.361 nan 8.210 nan 0.000 0.419 408 L N 0.795 122.016 121.223 -0.004 0.000 2.017 408 L HA -0.183 4.171 4.340 0.023 0.000 0.208 408 L C 2.290 179.153 176.870 -0.011 0.000 1.073 408 L CA 1.851 56.691 54.840 0.001 0.000 0.745 408 L CB -0.416 41.681 42.059 0.062 0.000 0.894 408 L HN 0.130 nan 8.230 nan 0.000 0.432 409 L N -0.953 120.264 121.223 -0.011 0.000 2.275 409 L HA -0.181 4.172 4.340 0.023 0.000 0.215 409 L C 2.428 179.291 176.870 -0.012 0.000 1.119 409 L CA 0.902 55.736 54.840 -0.010 0.000 0.790 409 L CB -0.515 41.538 42.059 -0.010 0.000 0.919 409 L HN 0.391 nan 8.230 nan 0.000 0.443 410 E N -0.148 120.043 120.200 -0.016 0.000 2.077 410 E HA -0.212 4.151 4.350 0.023 0.000 0.193 410 E C 2.035 178.623 176.600 -0.019 0.000 0.989 410 E CA 1.042 57.432 56.400 -0.016 0.000 0.800 410 E CB 0.157 29.848 29.700 -0.016 0.000 0.746 410 E HN 0.401 nan 8.360 nan 0.000 0.452 411 E N 0.551 120.734 120.200 -0.029 0.000 2.112 411 E HA -0.125 4.238 4.350 0.023 0.000 0.190 411 E C 1.781 178.365 176.600 -0.027 0.000 0.979 411 E CA 0.602 56.980 56.400 -0.038 0.000 0.814 411 E CB -0.145 29.518 29.700 -0.060 0.000 0.762 411 E HN 0.136 nan 8.360 nan 0.000 0.460 412 K N 0.887 121.276 120.400 -0.018 0.000 2.280 412 K HA -0.197 4.136 4.320 0.023 0.000 0.202 412 K C 1.836 178.435 176.600 -0.000 0.000 1.047 412 K CA 1.274 57.557 56.287 -0.007 0.000 0.942 412 K CB 0.176 32.674 32.500 -0.002 0.000 0.739 412 K HN -0.104 nan 8.250 nan 0.000 0.457 413 E N 0.234 120.432 120.200 -0.003 0.000 2.140 413 E HA -0.037 4.326 4.350 0.023 0.000 0.191 413 E C 1.500 178.103 176.600 0.005 0.000 0.973 413 E CA 0.782 57.183 56.400 0.002 0.000 0.829 413 E CB 0.058 29.757 29.700 -0.001 0.000 0.781 413 E HN 0.239 nan 8.360 nan 0.000 0.466 414 N N 0.249 118.948 118.700 -0.002 0.000 2.043 414 N HA -0.142 4.612 4.740 0.023 0.000 0.193 414 N C 1.752 177.274 175.510 0.020 0.000 1.037 414 N CA 1.321 54.371 53.050 0.000 0.000 0.851 414 N CB -0.285 38.192 38.487 -0.017 0.000 1.027 414 N HN 0.198 nan 8.380 nan 0.000 0.422 415 L N 0.791 122.022 121.223 0.012 0.000 2.005 415 L HA -0.151 4.202 4.340 0.023 0.000 0.207 415 L C 2.765 179.714 176.870 0.131 0.000 1.072 415 L CA 1.772 56.649 54.840 0.062 0.000 0.744 415 L CB -0.961 41.082 42.059 -0.026 0.000 0.895 415 L HN 0.228 nan 8.230 nan 0.000 0.433 416 K N 0.751 121.191 120.400 0.066 0.000 2.015 416 K HA -0.267 4.066 4.320 0.023 0.000 0.216 416 K C 1.767 178.388 176.600 0.035 0.000 1.052 416 K CA 2.355 58.671 56.287 0.047 0.000 0.937 416 K CB -1.496 31.018 32.500 0.024 0.000 0.719 416 K HN 0.406 nan 8.250 nan 0.000 0.446 417 N N 0.694 119.411 118.700 0.029 0.000 2.289 417 N HA -0.107 4.646 4.740 0.023 0.000 0.184 417 N C 1.782 177.300 175.510 0.012 0.000 1.016 417 N CA 1.522 54.581 53.050 0.015 0.000 0.872 417 N CB -0.139 38.355 38.487 0.012 0.000 0.973 417 N HN 0.761 nan 8.380 nan 0.000 0.433 418 E N -0.797 119.429 120.200 0.043 0.000 2.150 418 E HA 0.015 4.379 4.350 0.023 0.000 0.193 418 E C 1.075 177.626 176.600 -0.081 0.000 0.985 418 E CA 1.006 57.425 56.400 0.030 0.000 0.814 418 E CB 0.042 29.840 29.700 0.163 0.000 0.752 418 E HN 0.489 nan 8.360 nan 0.000 0.466 419 G N 0.335 109.079 108.800 -0.093 0.000 2.425 419 G HA2 -0.136 3.838 3.960 0.023 0.000 0.177 419 G HA3 -0.136 3.838 3.960 0.023 0.000 0.177 419 G C -0.429 174.343 174.900 -0.212 0.000 0.999 419 G CA -0.519 44.478 45.100 -0.172 0.000 0.723 419 G HN 0.224 nan 8.290 nan 0.000 0.491 420 H N 1.735 120.785 119.070 -0.033 0.000 2.722 420 H HA 0.512 5.081 4.556 0.023 0.000 0.328 420 H C -0.454 174.855 175.328 -0.030 0.000 1.067 420 H CA 0.147 56.173 56.048 -0.037 0.000 1.447 420 H CB 0.886 30.619 29.762 -0.048 0.000 1.469 420 H HN 0.099 nan 8.280 nan 0.000 0.544 421 D N 1.993 122.435 120.400 0.069 0.000 2.253 421 D HA 0.332 4.985 4.640 0.023 0.000 0.249 421 D C 0.066 176.380 176.300 0.023 0.000 1.049 421 D CA -0.425 53.591 54.000 0.026 0.000 0.929 421 D CB 1.134 41.930 40.800 -0.007 0.000 1.176 421 D HN 0.417 nan 8.370 nan 0.000 0.437 422 I N -2.482 118.093 120.570 0.008 0.000 3.145 422 I HA 0.551 4.735 4.170 0.023 0.000 0.313 422 I C -0.247 175.864 176.117 -0.009 0.000 1.122 422 I CA -1.184 60.117 61.300 0.003 0.000 0.987 422 I CB 1.405 39.412 38.000 0.012 0.000 1.236 422 I HN 0.199 nan 8.210 nan 0.000 0.453 423 S N 0.486 116.181 115.700 -0.008 0.000 2.537 423 S HA 0.346 4.830 4.470 0.023 0.000 0.275 423 S C 0.350 174.954 174.600 0.006 0.000 1.272 423 S CA -0.118 58.079 58.200 -0.005 0.000 1.050 423 S CB 1.027 64.225 63.200 -0.003 0.000 0.961 423 S HN 0.811 nan 8.310 nan 0.000 0.496 424 D N 0.385 120.790 120.400 0.007 0.000 2.347 424 D HA -0.039 4.615 4.640 0.023 0.000 0.213 424 D C -0.156 176.156 176.300 0.020 0.000 0.985 424 D CA 0.365 54.373 54.000 0.013 0.000 0.879 424 D CB -0.196 40.611 40.800 0.011 0.000 0.919 424 D HN 0.531 nan 8.370 nan 0.000 0.526 425 D N 0.476 120.889 120.400 0.022 0.000 2.477 425 D HA 0.309 4.962 4.640 0.023 0.000 0.239 425 D C -0.801 175.522 176.300 0.038 0.000 1.102 425 D CA -0.526 53.493 54.000 0.032 0.000 0.901 425 D CB -0.049 40.768 40.800 0.028 0.000 1.026 425 D HN 0.149 nan 8.370 nan 0.000 0.515 426 I N 2.795 123.393 120.570 0.046 0.000 2.448 426 I HA 0.178 4.361 4.170 0.023 0.000 0.281 426 I C 0.398 176.566 176.117 0.085 0.000 1.027 426 I CA -0.748 60.584 61.300 0.054 0.000 1.111 426 I CB 1.652 39.672 38.000 0.033 0.000 1.236 426 I HN 0.017 nan 8.210 nan 0.000 0.452 427 E N 5.673 125.953 120.200 0.134 0.000 2.398 427 E HA 0.285 4.649 4.350 0.023 0.000 0.263 427 E C -0.812 175.943 176.600 0.259 0.000 1.046 427 E CA -0.226 56.315 56.400 0.235 0.000 0.908 427 E CB 1.700 31.602 29.700 0.336 0.000 0.963 427 E HN 0.289 nan 8.360 nan 0.000 0.431 428 L N 2.635 123.954 121.223 0.161 0.000 2.406 428 L HA 0.530 4.884 4.340 0.023 0.000 0.270 428 L C -0.408 176.244 176.870 -0.363 0.000 0.982 428 L CA 0.031 54.833 54.840 -0.065 0.000 0.843 428 L CB 0.874 42.916 42.059 -0.029 0.000 1.225 428 L HN 0.704 nan 8.230 nan 0.000 0.412 429 G N 4.854 113.088 108.800 -0.943 0.000 3.211 429 G HA2 0.744 4.718 3.960 0.023 0.000 0.262 429 G HA3 0.744 4.718 3.960 0.023 0.000 0.262 429 G C -1.047 173.407 174.900 -0.743 0.000 1.352 429 G CA -0.634 43.589 45.100 -1.460 0.000 1.004 429 G HN 0.647 nan 8.290 nan 0.000 0.559 430 I N -3.225 116.993 120.570 -0.586 0.000 2.769 430 I HA 0.697 4.880 4.170 0.023 0.000 0.298 430 I C -0.809 175.246 176.117 -0.103 0.000 1.128 430 I CA -1.292 59.896 61.300 -0.186 0.000 1.031 430 I CB 2.486 40.462 38.000 -0.040 0.000 1.235 430 I HN 0.450 nan 8.210 nan 0.000 0.423 431 M N 5.674 125.261 119.600 -0.022 0.000 2.220 431 M HA 0.299 4.792 4.480 0.023 0.000 0.343 431 M C -1.087 175.195 176.300 -0.030 0.000 1.470 431 M CA 0.026 55.330 55.300 0.007 0.000 1.161 431 M CB 0.675 33.299 32.600 0.041 0.000 1.737 431 M HN 0.496 nan 8.290 nan 0.000 0.464 432 V N 7.812 127.698 119.914 -0.047 0.000 2.338 432 V HA 0.170 4.303 4.120 0.023 0.000 0.255 432 V C 0.819 176.862 176.094 -0.084 0.000 1.082 432 V CA 0.055 62.281 62.300 -0.123 0.000 0.951 432 V CB -0.479 31.227 31.823 -0.195 0.000 1.102 432 V HN 0.962 nan 8.190 nan 0.000 0.489 433 E N 3.834 123.995 120.200 -0.065 0.000 2.500 433 E HA 0.148 4.512 4.350 0.023 0.000 0.217 433 E C 0.276 176.881 176.600 0.008 0.000 0.848 433 E CA -0.197 56.218 56.400 0.025 0.000 1.217 433 E CB 0.784 30.558 29.700 0.123 0.000 1.217 433 E HN 0.475 nan 8.360 nan 0.000 0.573 434 I N 3.731 124.216 120.570 -0.142 0.000 2.352 434 I HA 0.167 4.351 4.170 0.023 0.000 0.290 434 I C -1.728 174.290 176.117 -0.165 0.000 1.036 434 I CA -2.446 58.721 61.300 -0.222 0.000 1.336 434 I CB 0.683 38.525 38.000 -0.262 0.000 1.407 434 I HN -0.215 nan 8.210 nan 0.000 0.497 435 P HA -0.155 nan 4.420 nan 0.000 0.216 435 P C 1.538 178.774 177.300 -0.106 0.000 1.150 435 P CA 1.496 64.542 63.100 -0.091 0.000 0.843 435 P CB 0.366 32.039 31.700 -0.046 0.000 0.787 436 A N -1.185 121.576 122.820 -0.100 0.000 1.978 436 A HA -0.237 4.096 4.320 0.023 0.000 0.220 436 A C 2.419 179.959 177.584 -0.073 0.000 1.170 436 A CA 2.438 54.435 52.037 -0.065 0.000 0.636 436 A CB -1.924 17.048 19.000 -0.046 0.000 0.810 436 A HN 0.202 nan 8.150 nan 0.000 0.448 437 T N -1.101 113.339 114.554 -0.189 0.000 2.951 437 T HA 0.164 4.527 4.350 0.023 0.000 0.268 437 T C 1.905 176.388 174.700 -0.361 0.000 1.073 437 T CA 1.441 63.303 62.100 -0.397 0.000 1.134 437 T CB -0.328 68.160 68.868 -0.633 0.000 0.884 437 T HN 0.531 nan 8.240 nan 0.000 0.479 438 A N 0.630 123.284 122.820 -0.277 0.000 1.970 438 A HA 0.422 4.756 4.320 0.023 0.000 0.216 438 A C 2.556 180.043 177.584 -0.161 0.000 1.170 438 A CA 1.417 53.295 52.037 -0.266 0.000 0.645 438 A CB -0.875 17.991 19.000 -0.223 0.000 0.816 438 A HN 0.536 nan 8.150 nan 0.000 0.447 439 A N -1.398 121.362 122.820 -0.099 0.000 2.067 439 A HA 0.132 4.466 4.320 0.023 0.000 0.219 439 A C 1.454 179.028 177.584 -0.017 0.000 1.158 439 A CA 1.403 53.409 52.037 -0.052 0.000 0.661 439 A CB -0.213 18.767 19.000 -0.033 0.000 0.801 439 A HN 0.559 nan 8.150 nan 0.000 0.452 440 L N -1.456 119.784 121.223 0.027 0.000 3.218 440 L HA 0.517 4.870 4.340 0.023 0.000 0.279 440 L C 1.743 178.717 176.870 0.172 0.000 1.287 440 L CA 0.598 55.499 54.840 0.103 0.000 1.024 440 L CB -0.089 42.074 42.059 0.173 0.000 1.409 440 L HN 0.230 nan 8.230 nan 0.000 0.580 441 A N -0.178 122.651 122.820 0.014 0.000 1.892 441 A HA -0.232 4.101 4.320 0.023 0.000 0.218 441 A C 1.866 179.517 177.584 0.112 0.000 1.188 441 A CA 2.143 54.139 52.037 -0.068 0.000 0.631 441 A CB -0.466 18.353 19.000 -0.303 0.000 0.822 441 A HN 0.664 nan 8.150 nan 0.000 0.447 442 D N -0.252 120.183 120.400 0.059 0.000 2.310 442 D HA -0.080 4.574 4.640 0.023 0.000 0.212 442 D C 1.717 178.054 176.300 0.061 0.000 0.965 442 D CA 1.360 55.399 54.000 0.066 0.000 0.879 442 D CB -0.509 40.308 40.800 0.028 0.000 0.921 442 D HN 0.308 nan 8.370 nan 0.000 0.510 443 V N 0.060 120.006 119.914 0.052 0.000 2.379 443 V HA -0.118 4.016 4.120 0.023 0.000 0.243 443 V C 2.228 178.275 176.094 -0.078 0.000 1.035 443 V CA 0.871 63.146 62.300 -0.042 0.000 1.035 443 V CB -0.713 31.041 31.823 -0.115 0.000 0.673 443 V HN -0.019 nan 8.190 nan 0.000 0.457 444 F N 1.131 121.072 119.950 -0.015 0.000 2.161 444 F HA -0.174 4.366 4.527 0.021 0.000 0.300 444 F C 2.457 178.215 175.800 -0.071 0.000 1.089 444 F CA 1.502 59.474 58.000 -0.047 0.000 1.282 444 F CB -0.731 38.324 39.000 0.093 0.000 1.010 444 F HN 0.103 nan 8.300 nan 0.000 0.485 445 A N -0.244 122.744 122.820 0.280 0.000 1.972 445 A HA -0.183 4.150 4.320 0.023 0.000 0.219 445 A C 2.286 179.836 177.584 -0.058 0.000 1.169 445 A CA 1.347 53.433 52.037 0.082 0.000 0.635 445 A CB -0.436 18.691 19.000 0.211 0.000 0.810 445 A HN 0.149 nan 8.150 nan 0.000 0.446 446 K N -0.181 120.199 120.400 -0.033 0.000 2.147 446 K HA -0.123 4.211 4.320 0.023 0.000 0.205 446 K C 1.494 178.051 176.600 -0.072 0.000 1.049 446 K CA 1.631 57.890 56.287 -0.046 0.000 0.936 446 K CB -0.135 32.340 32.500 -0.040 0.000 0.722 446 K HN 0.736 nan 8.250 nan 0.000 0.446 447 E N -0.039 120.081 120.200 -0.134 0.000 2.372 447 E HA 0.059 4.423 4.350 0.023 0.000 0.201 447 E C 0.070 176.562 176.600 -0.180 0.000 0.938 447 E CA -0.081 56.251 56.400 -0.114 0.000 0.944 447 E CB 0.772 30.389 29.700 -0.139 0.000 0.937 447 E HN -0.127 nan 8.360 nan 0.000 0.495 448 V N 2.365 122.038 119.914 -0.402 0.000 2.539 448 V HA 0.014 4.147 4.120 0.023 0.000 0.292 448 V C 0.640 176.485 176.094 -0.415 0.000 1.045 448 V CA -0.130 61.858 62.300 -0.519 0.000 0.945 448 V CB 1.636 32.957 31.823 -0.837 0.000 0.993 448 V HN 0.055 nan 8.190 nan 0.000 0.464 449 D N 2.531 122.738 120.400 -0.323 0.000 2.224 449 D HA 0.072 4.726 4.640 0.023 0.000 0.205 449 D C 0.009 176.159 176.300 -0.249 0.000 0.965 449 D CA 1.485 55.391 54.000 -0.156 0.000 0.852 449 D CB 0.203 41.054 40.800 0.086 0.000 0.947 449 D HN 0.527 nan 8.370 nan 0.000 0.494 450 F N -2.454 117.071 119.950 -0.708 0.000 2.744 450 F HA 0.478 5.017 4.527 0.020 0.000 0.311 450 F C -1.660 173.545 175.800 -0.992 0.000 1.144 450 F CA -1.659 55.687 58.000 -1.091 0.000 0.938 450 F CB 0.448 38.396 39.000 -1.753 0.000 1.292 450 F HN -0.375 nan 8.300 nan 0.000 0.444 451 F N 1.405 121.084 119.950 -0.451 0.000 2.492 451 F HA 0.731 5.269 4.527 0.018 0.000 0.327 451 F C 0.051 175.748 175.800 -0.171 0.000 1.079 451 F CA -0.895 56.909 58.000 -0.327 0.000 0.967 451 F CB 2.390 41.235 39.000 -0.258 0.000 1.169 451 F HN 0.703 nan 8.300 nan 0.000 0.472 452 S N 2.564 118.332 115.700 0.114 0.000 2.677 452 S HA 0.644 5.127 4.470 0.023 0.000 0.283 452 S C -1.061 173.572 174.600 0.056 0.000 1.159 452 S CA -0.803 57.470 58.200 0.121 0.000 1.001 452 S CB 0.668 63.986 63.200 0.197 0.000 1.032 452 S HN 0.518 nan 8.310 nan 0.000 0.487 453 I N 2.978 123.559 120.570 0.019 0.000 2.371 453 I HA 0.427 4.611 4.170 0.023 0.000 0.290 453 I C 0.973 177.088 176.117 -0.004 0.000 1.028 453 I CA -0.504 60.781 61.300 -0.026 0.000 1.345 453 I CB 1.007 38.967 38.000 -0.068 0.000 1.407 453 I HN 0.923 nan 8.210 nan 0.000 0.501 454 G N 3.622 112.422 108.800 0.001 0.000 2.922 454 G HA2 0.241 4.214 3.960 0.023 0.000 0.335 454 G HA3 0.241 4.214 3.960 0.023 0.000 0.335 454 G C 1.104 176.006 174.900 0.003 0.000 1.016 454 G CA -0.234 44.878 45.100 0.020 0.000 1.306 454 G HN 0.804 nan 8.290 nan 0.000 0.465 455 T N 0.312 114.854 114.554 -0.020 0.000 2.699 455 T HA -0.292 4.071 4.350 0.023 0.000 0.268 455 T C 2.165 176.838 174.700 -0.044 0.000 1.036 455 T CA 1.691 63.753 62.100 -0.063 0.000 1.147 455 T CB -0.568 68.245 68.868 -0.091 0.000 0.862 455 T HN 0.635 nan 8.240 nan 0.000 0.446 456 N N 2.381 121.109 118.700 0.047 0.000 2.060 456 N HA -0.239 4.514 4.740 0.023 0.000 0.195 456 N C 1.263 176.816 175.510 0.071 0.000 1.028 456 N CA 1.972 55.108 53.050 0.145 0.000 0.861 456 N CB -0.648 37.911 38.487 0.119 0.000 1.029 456 N HN 0.491 nan 8.380 nan 0.000 0.428 457 D N 0.751 121.165 120.400 0.024 0.000 2.110 457 D HA -0.040 4.613 4.640 0.023 0.000 0.202 457 D C 2.079 178.362 176.300 -0.028 0.000 0.975 457 D CA 0.227 54.211 54.000 -0.027 0.000 0.839 457 D CB -0.320 40.567 40.800 0.145 0.000 0.996 457 D HN 0.073 nan 8.370 nan 0.000 0.464 458 L N 1.032 122.283 121.223 0.047 0.000 2.021 458 L HA -0.175 4.179 4.340 0.023 0.000 0.215 458 L C 1.883 178.725 176.870 -0.047 0.000 1.074 458 L CA 1.587 56.452 54.840 0.042 0.000 0.760 458 L CB -0.490 41.551 42.059 -0.030 0.000 0.889 458 L HN 0.121 nan 8.230 nan 0.000 0.433 459 I N -1.091 119.388 120.570 -0.151 0.000 2.208 459 I HA -0.349 3.835 4.170 0.023 0.000 0.245 459 I C 2.510 178.506 176.117 -0.201 0.000 1.097 459 I CA 1.480 62.630 61.300 -0.251 0.000 1.363 459 I CB -0.396 37.282 38.000 -0.536 0.000 1.051 459 I HN 0.436 nan 8.210 nan 0.000 0.413 460 Q N -0.386 119.293 119.800 -0.201 0.000 2.119 460 Q HA -0.186 4.168 4.340 0.023 0.000 0.201 460 Q C 2.143 178.003 176.000 -0.232 0.000 0.972 460 Q CA 1.545 57.208 55.803 -0.234 0.000 0.847 460 Q CB -0.075 28.464 28.738 -0.332 0.000 0.903 460 Q HN 0.503 nan 8.270 nan 0.000 0.433 461 Y N -0.207 120.068 120.300 -0.042 0.000 2.243 461 Y HA -0.093 4.470 4.550 0.022 0.000 0.293 461 Y C 2.551 178.418 175.900 -0.055 0.000 1.124 461 Y CA 1.099 59.173 58.100 -0.044 0.000 1.159 461 Y CB -0.556 37.876 38.460 -0.046 0.000 1.008 461 Y HN 0.019 nan 8.280 nan 0.000 0.527 462 T N 0.247 114.843 114.554 0.071 0.000 2.777 462 T HA -0.108 4.255 4.350 0.023 0.000 0.266 462 T C 1.815 176.503 174.700 -0.021 0.000 1.040 462 T CA 1.291 63.395 62.100 0.005 0.000 1.141 462 T CB -0.459 68.387 68.868 -0.037 0.000 0.868 462 T HN 0.191 nan 8.240 nan 0.000 0.444 463 L N 0.325 121.516 121.223 -0.052 0.000 2.567 463 L HA 0.384 4.738 4.340 0.023 0.000 0.225 463 L C 1.293 178.130 176.870 -0.054 0.000 1.119 463 L CA 0.102 54.902 54.840 -0.066 0.000 0.871 463 L CB -0.274 41.719 42.059 -0.109 0.000 1.036 463 L HN 0.261 nan 8.230 nan 0.000 0.459 464 A N 0.417 123.218 122.820 -0.031 0.000 2.800 464 A HA 0.004 4.338 4.320 0.023 0.000 0.292 464 A C 0.361 177.920 177.584 -0.041 0.000 1.474 464 A CA 0.602 52.632 52.037 -0.011 0.000 0.744 464 A CB -1.955 17.049 19.000 0.006 0.000 1.044 464 A HN 0.482 nan 8.150 nan 0.000 0.489 465 A N -0.279 122.496 122.820 -0.074 0.000 2.486 465 A HA 0.649 4.983 4.320 0.023 0.000 0.300 465 A C -0.650 176.890 177.584 -0.073 0.000 1.048 465 A CA 0.065 52.055 52.037 -0.079 0.000 0.696 465 A CB 0.999 19.920 19.000 -0.131 0.000 1.278 465 A HN 0.702 nan 8.150 nan 0.000 0.405 466 D N 1.569 121.937 120.400 -0.053 0.000 2.316 466 D HA 0.171 4.825 4.640 0.023 0.000 0.245 466 D C 1.571 177.852 176.300 -0.032 0.000 1.171 466 D CA -0.425 53.546 54.000 -0.049 0.000 0.856 466 D CB 0.976 41.756 40.800 -0.032 0.000 1.090 466 D HN 0.607 nan 8.370 nan 0.000 0.476 467 R N 3.247 123.729 120.500 -0.030 0.000 2.127 467 R HA -0.182 4.172 4.340 0.023 0.000 0.238 467 R C 1.288 177.544 176.300 -0.074 0.000 1.134 467 R CA 0.820 56.880 56.100 -0.066 0.000 0.975 467 R CB -0.281 29.893 30.300 -0.210 0.000 0.865 467 R HN 0.313 nan 8.270 nan 0.000 0.447 468 M N 1.683 121.250 119.600 -0.055 0.000 2.086 468 M HA -0.017 4.477 4.480 0.023 0.000 0.261 468 M C 1.059 177.354 176.300 -0.009 0.000 1.067 468 M CA 1.034 56.314 55.300 -0.033 0.000 1.116 468 M CB -0.461 32.128 32.600 -0.018 0.000 1.348 468 M HN 0.123 nan 8.290 nan 0.000 0.407 469 S N 1.411 117.110 115.700 -0.001 0.000 2.506 469 S HA -0.025 4.458 4.470 0.023 0.000 0.291 469 S C 1.168 175.784 174.600 0.028 0.000 1.230 469 S CA -0.233 57.977 58.200 0.017 0.000 1.107 469 S CB 0.163 63.374 63.200 0.018 0.000 0.942 469 S HN 0.260 nan 8.310 nan 0.000 0.502 470 E N 4.810 125.032 120.200 0.037 0.000 2.204 470 E HA -0.102 4.261 4.350 0.023 0.000 0.194 470 E C 1.863 178.517 176.600 0.089 0.000 0.989 470 E CA 0.704 57.136 56.400 0.053 0.000 0.824 470 E CB -0.054 29.672 29.700 0.042 0.000 0.756 470 E HN 0.623 nan 8.360 nan 0.000 0.477 471 R N 0.387 120.936 120.500 0.082 0.000 2.105 471 R HA -0.114 4.240 4.340 0.023 0.000 0.239 471 R C 2.172 178.592 176.300 0.199 0.000 1.135 471 R CA 1.370 57.535 56.100 0.108 0.000 0.967 471 R CB -0.345 30.002 30.300 0.077 0.000 0.861 471 R HN 0.195 nan 8.270 nan 0.000 0.442 472 V N -2.175 117.829 119.914 0.149 0.000 3.070 472 V HA 0.253 4.386 4.120 0.023 0.000 0.345 472 V C 1.165 177.217 176.094 -0.070 0.000 1.403 472 V CA 0.246 62.602 62.300 0.094 0.000 1.155 472 V CB 0.547 32.366 31.823 -0.008 0.000 1.140 472 V HN 0.221 nan 8.190 nan 0.000 0.505 473 S N 0.955 116.693 115.700 0.063 0.000 2.423 473 S HA -0.231 4.252 4.470 0.023 0.000 0.231 473 S C 1.852 176.479 174.600 0.044 0.000 1.014 473 S CA 1.409 59.628 58.200 0.031 0.000 0.965 473 S CB -1.086 62.141 63.200 0.045 0.000 0.785 473 S HN 1.007 nan 8.310 nan 0.000 0.495 474 Y N 1.679 122.013 120.300 0.056 0.000 2.465 474 Y HA 0.162 4.725 4.550 0.023 0.000 0.289 474 Y C 1.539 177.484 175.900 0.075 0.000 1.150 474 Y CA 0.368 58.506 58.100 0.064 0.000 1.293 474 Y CB -0.864 37.622 38.460 0.044 0.000 0.977 474 Y HN 0.221 nan 8.280 nan 0.000 0.556 475 L N -0.493 120.366 121.223 -0.607 0.000 2.599 475 L HA -0.011 4.342 4.340 0.023 0.000 0.230 475 L C 0.309 177.092 176.870 -0.145 0.000 1.141 475 L CA -0.024 54.553 54.840 -0.438 0.000 0.877 475 L CB -0.506 41.231 42.059 -0.536 0.000 1.009 475 L HN 0.229 nan 8.230 nan 0.000 0.447 476 Y N 2.416 122.627 120.300 -0.150 0.000 2.532 476 Y HA 0.104 4.669 4.550 0.024 0.000 0.337 476 Y C 0.224 176.092 175.900 -0.054 0.000 1.274 476 Y CA -0.213 57.830 58.100 -0.094 0.000 1.817 476 Y CB -0.391 38.028 38.460 -0.070 0.000 1.769 476 Y HN 0.192 nan 8.280 nan 0.000 0.447 477 Q N 6.580 126.260 119.800 -0.201 0.000 2.506 477 Q HA 0.205 4.559 4.340 0.023 0.000 0.242 477 Q C -2.014 173.849 176.000 -0.228 0.000 1.060 477 Q CA -1.965 53.768 55.803 -0.116 0.000 0.826 477 Q CB 1.254 29.973 28.738 -0.033 0.000 1.169 477 Q HN 0.450 nan 8.270 nan 0.000 0.521 478 P HA -0.143 nan 4.420 nan 0.000 0.221 478 P C -0.054 177.000 177.300 -0.410 0.000 1.150 478 P CA 1.170 64.008 63.100 -0.436 0.000 0.800 478 P CB 0.183 31.567 31.700 -0.526 0.000 0.787 479 Y N -1.482 118.786 120.300 -0.053 0.000 2.493 479 Y HA 0.167 4.729 4.550 0.020 0.000 0.275 479 Y C 0.840 176.720 175.900 -0.034 0.000 1.183 479 Y CA -0.720 57.361 58.100 -0.031 0.000 1.258 479 Y CB -0.965 37.490 38.460 -0.007 0.000 1.108 479 Y HN -0.082 nan 8.280 nan 0.000 0.521 480 N N 1.560 120.282 118.700 0.037 0.000 2.483 480 N HA -0.007 4.747 4.740 0.023 0.000 0.264 480 N C -1.842 173.669 175.510 0.001 0.000 1.197 480 N CA -1.166 51.892 53.050 0.013 0.000 0.927 480 N CB 1.006 39.474 38.487 -0.032 0.000 1.065 480 N HN -0.133 nan 8.380 nan 0.000 0.461 481 P HA -0.130 nan 4.420 nan 0.000 0.216 481 P C 0.794 178.084 177.300 -0.016 0.000 1.150 481 P CA 1.109 64.210 63.100 0.003 0.000 0.837 481 P CB 0.218 31.923 31.700 0.008 0.000 0.786 482 S N -0.541 115.145 115.700 -0.024 0.000 2.359 482 S HA -0.147 4.336 4.470 0.023 0.000 0.224 482 S C 1.826 176.394 174.600 -0.053 0.000 1.035 482 S CA 1.201 59.380 58.200 -0.036 0.000 1.018 482 S CB -0.959 62.219 63.200 -0.038 0.000 0.876 482 S HN 0.042 nan 8.310 nan 0.000 0.448 483 I N 1.824 122.354 120.570 -0.067 0.000 2.202 483 I HA -0.108 4.075 4.170 0.023 0.000 0.242 483 I C 2.222 178.291 176.117 -0.080 0.000 1.091 483 I CA 1.133 62.379 61.300 -0.091 0.000 1.368 483 I CB -1.769 36.154 38.000 -0.128 0.000 1.058 483 I HN 0.265 nan 8.210 nan 0.000 0.410 484 L N 0.242 121.430 121.223 -0.058 0.000 2.043 484 L HA -0.234 4.120 4.340 0.023 0.000 0.212 484 L C 2.841 179.682 176.870 -0.048 0.000 1.075 484 L CA 1.493 56.307 54.840 -0.043 0.000 0.752 484 L CB -0.705 41.347 42.059 -0.012 0.000 0.891 484 L HN 0.218 nan 8.230 nan 0.000 0.432 485 R N -0.047 120.425 120.500 -0.046 0.000 2.075 485 R HA -0.106 4.247 4.340 0.023 0.000 0.232 485 R C 2.325 178.584 176.300 -0.068 0.000 1.126 485 R CA 1.158 57.230 56.100 -0.047 0.000 0.963 485 R CB -0.371 29.906 30.300 -0.038 0.000 0.858 485 R HN 0.343 nan 8.270 nan 0.000 0.435 486 L N 0.247 121.421 121.223 -0.081 0.000 2.046 486 L HA -0.161 4.193 4.340 0.023 0.000 0.208 486 L C 2.466 179.256 176.870 -0.133 0.000 1.077 486 L CA 1.035 55.809 54.840 -0.109 0.000 0.747 486 L CB -0.665 41.328 42.059 -0.111 0.000 0.896 486 L HN 0.033 nan 8.230 nan 0.000 0.432 487 V N 0.543 120.386 119.914 -0.117 0.000 2.252 487 V HA -0.371 3.762 4.120 0.023 0.000 0.249 487 V C 2.651 178.676 176.094 -0.115 0.000 1.056 487 V CA 2.353 64.581 62.300 -0.121 0.000 1.022 487 V CB -0.628 31.136 31.823 -0.098 0.000 0.641 487 V HN 0.485 nan 8.190 nan 0.000 0.445 488 K N -0.375 119.975 120.400 -0.084 0.000 2.063 488 K HA -0.280 4.054 4.320 0.023 0.000 0.208 488 K C 2.313 178.859 176.600 -0.090 0.000 1.048 488 K CA 2.038 58.285 56.287 -0.067 0.000 0.928 488 K CB -0.219 32.258 32.500 -0.038 0.000 0.713 488 K HN 0.529 nan 8.250 nan 0.000 0.442 489 Q N 0.234 119.972 119.800 -0.103 0.000 2.061 489 Q HA -0.168 4.186 4.340 0.023 0.000 0.204 489 Q C 1.990 177.884 176.000 -0.176 0.000 0.984 489 Q CA 1.954 57.687 55.803 -0.117 0.000 0.846 489 Q CB 0.048 28.716 28.738 -0.117 0.000 0.902 489 Q HN 0.230 nan 8.270 nan 0.000 0.421 490 V N 0.799 120.565 119.914 -0.247 0.000 2.295 490 V HA -0.296 3.837 4.120 0.023 0.000 0.246 490 V C 2.244 178.173 176.094 -0.275 0.000 1.049 490 V CA 1.817 63.882 62.300 -0.392 0.000 1.024 490 V CB -0.495 31.043 31.823 -0.475 0.000 0.648 490 V HN 0.402 nan 8.190 nan 0.000 0.447 491 I N -0.269 120.173 120.570 -0.213 0.000 2.163 491 I HA -0.234 3.949 4.170 0.023 0.000 0.243 491 I C 2.687 178.580 176.117 -0.374 0.000 1.085 491 I CA 1.527 62.668 61.300 -0.265 0.000 1.347 491 I CB -0.558 37.349 38.000 -0.155 0.000 1.044 491 I HN 0.342 nan 8.210 nan 0.000 0.408 492 E N 1.087 121.182 120.200 -0.175 0.000 2.058 492 E HA -0.253 4.111 4.350 0.023 0.000 0.194 492 E C 2.351 178.918 176.600 -0.054 0.000 0.997 492 E CA 1.651 58.006 56.400 -0.075 0.000 0.801 492 E CB -0.446 29.240 29.700 -0.023 0.000 0.746 492 E HN 0.549 nan 8.360 nan 0.000 0.450 493 A N 1.780 124.566 122.820 -0.058 0.000 1.883 493 A HA -0.224 4.109 4.320 0.023 0.000 0.217 493 A C 2.491 180.126 177.584 0.085 0.000 1.186 493 A CA 2.650 54.698 52.037 0.017 0.000 0.624 493 A CB -0.762 18.240 19.000 0.004 0.000 0.822 493 A HN 0.378 nan 8.150 nan 0.000 0.444 494 S N -0.198 115.555 115.700 0.088 0.000 2.368 494 S HA -0.271 4.212 4.470 0.023 0.000 0.225 494 S C 1.726 176.404 174.600 0.130 0.000 1.030 494 S CA 1.629 59.905 58.200 0.126 0.000 0.999 494 S CB -1.074 62.213 63.200 0.145 0.000 0.844 494 S HN 0.782 nan 8.310 nan 0.000 0.459 495 H N 1.045 120.187 119.070 0.120 0.000 2.462 495 H HA 0.142 4.717 4.556 0.032 0.000 0.292 495 H C 2.239 177.612 175.328 0.076 0.000 1.049 495 H CA 1.108 57.216 56.048 0.100 0.000 1.334 495 H CB -0.026 29.791 29.762 0.092 0.000 1.404 495 H HN 0.422 nan 8.280 nan 0.000 0.544 496 K N 0.908 121.410 120.400 0.170 0.000 2.209 496 K HA -0.131 4.202 4.320 0.023 0.000 0.204 496 K C 0.783 177.437 176.600 0.091 0.000 1.048 496 K CA 1.164 57.516 56.287 0.109 0.000 0.940 496 K CB 0.370 32.915 32.500 0.075 0.000 0.729 496 K HN 0.277 nan 8.250 nan 0.000 0.451 497 E N -0.946 119.312 120.200 0.096 0.000 2.538 497 E HA 0.098 4.461 4.350 0.023 0.000 0.207 497 E C 0.602 177.250 176.600 0.080 0.000 1.002 497 E CA 0.514 56.955 56.400 0.069 0.000 0.952 497 E CB 1.172 30.897 29.700 0.042 0.000 1.031 497 E HN 0.483 nan 8.360 nan 0.000 0.476 498 G N 1.913 110.786 108.800 0.121 0.000 2.143 498 G HA2 -0.296 3.678 3.960 0.023 0.000 0.248 498 G HA3 -0.296 3.678 3.960 0.023 0.000 0.248 498 G C 0.415 175.415 174.900 0.166 0.000 0.991 498 G CA 0.663 45.842 45.100 0.132 0.000 0.689 498 G HN 0.114 nan 8.290 nan 0.000 0.522 499 K N -0.305 120.193 120.400 0.163 0.000 2.362 499 K HA 0.779 5.113 4.320 0.023 0.000 0.245 499 K C 0.686 177.477 176.600 0.318 0.000 1.040 499 K CA -0.444 55.926 56.287 0.139 0.000 0.961 499 K CB 0.413 32.877 32.500 -0.061 0.000 1.252 499 K HN 0.547 nan 8.250 nan 0.000 0.503 500 W N -1.157 120.238 121.300 0.158 0.000 2.950 500 W HA 0.588 5.257 4.660 0.015 0.000 0.340 500 W C -1.306 175.325 176.519 0.187 0.000 1.139 500 W CA -0.769 56.694 57.345 0.197 0.000 1.188 500 W CB 0.628 30.171 29.460 0.139 0.000 1.426 500 W HN 0.218 nan 8.180 nan 0.000 0.531 501 T N 1.874 116.684 114.554 0.428 0.000 2.807 501 T HA 0.600 4.963 4.350 0.023 0.000 0.279 501 T C 0.070 175.009 174.700 0.398 0.000 0.993 501 T CA -0.260 61.994 62.100 0.257 0.000 0.970 501 T CB 1.662 70.594 68.868 0.107 0.000 0.950 501 T HN 0.715 nan 8.240 nan 0.000 0.441 502 G N 1.693 110.710 108.800 0.361 0.000 2.568 502 G HA2 0.728 4.701 3.960 0.023 0.000 0.313 502 G HA3 0.728 4.701 3.960 0.023 0.000 0.313 502 G C -1.294 173.665 174.900 0.098 0.000 1.227 502 G CA -0.817 44.466 45.100 0.306 0.000 0.979 502 G HN 0.699 nan 8.290 nan 0.000 0.486 503 M N 1.236 120.836 119.600 -0.001 0.000 2.151 503 M HA 0.329 4.822 4.480 0.023 0.000 0.290 503 M C 0.188 176.508 176.300 0.032 0.000 0.965 503 M CA -0.915 54.372 55.300 -0.022 0.000 0.930 503 M CB 1.249 33.778 32.600 -0.120 0.000 1.560 503 M HN 0.624 nan 8.290 nan 0.000 0.438 504 C N 1.664 121.002 119.300 0.062 0.000 2.778 504 C HA 0.634 5.108 4.460 0.023 0.000 0.294 504 C C 0.978 176.006 174.990 0.064 0.000 1.331 504 C CA -0.349 58.716 59.018 0.079 0.000 1.741 504 C CB -1.468 26.333 27.740 0.102 0.000 2.106 504 C HN 0.844 nan 8.230 nan 0.000 0.603 505 G N 0.499 109.325 108.800 0.043 0.000 2.507 505 G HA2 0.391 4.365 3.960 0.023 0.000 0.271 505 G HA3 0.391 4.365 3.960 0.023 0.000 0.271 505 G C 0.742 175.670 174.900 0.047 0.000 1.189 505 G CA -0.141 44.983 45.100 0.040 0.000 0.859 505 G HN 0.349 nan 8.290 nan 0.000 0.542 506 E N 0.815 121.048 120.200 0.055 0.000 2.219 506 E HA -0.250 4.114 4.350 0.023 0.000 0.198 506 E C 2.251 178.887 176.600 0.059 0.000 0.998 506 E CA 1.101 57.537 56.400 0.060 0.000 0.818 506 E CB -0.201 29.536 29.700 0.062 0.000 0.741 506 E HN 0.713 nan 8.360 nan 0.000 0.477 507 M N 0.179 119.798 119.600 0.031 0.000 2.267 507 M HA -0.137 4.357 4.480 0.023 0.000 0.263 507 M C 2.069 178.409 176.300 0.066 0.000 1.063 507 M CA 1.759 57.062 55.300 0.004 0.000 1.090 507 M CB -0.013 32.532 32.600 -0.092 0.000 1.392 507 M HN 0.038 nan 8.290 nan 0.000 0.422 508 A N 0.084 122.954 122.820 0.085 0.000 1.969 508 A HA 0.039 4.372 4.320 0.023 0.000 0.218 508 A C 2.172 179.916 177.584 0.266 0.000 1.169 508 A CA 1.513 53.657 52.037 0.178 0.000 0.635 508 A CB -1.272 17.802 19.000 0.122 0.000 0.810 508 A HN 0.660 nan 8.150 nan 0.000 0.445 509 G N -1.189 107.709 108.800 0.163 0.000 3.042 509 G HA2 0.113 4.086 3.960 0.023 0.000 0.212 509 G HA3 0.113 4.086 3.960 0.023 0.000 0.212 509 G C 0.108 175.072 174.900 0.105 0.000 1.166 509 G CA 0.224 45.401 45.100 0.128 0.000 0.767 509 G HN 0.396 nan 8.290 nan 0.000 0.546 510 D N 0.850 121.323 120.400 0.122 0.000 2.317 510 D HA 0.094 4.747 4.640 0.023 0.000 0.252 510 D C 0.907 177.280 176.300 0.121 0.000 1.174 510 D CA -0.279 53.794 54.000 0.122 0.000 0.866 510 D CB 0.962 41.851 40.800 0.149 0.000 1.127 510 D HN 0.024 nan 8.370 nan 0.000 0.467 511 E N 1.745 121.998 120.200 0.089 0.000 2.472 511 E HA -0.094 4.270 4.350 0.023 0.000 0.200 511 E C 1.498 178.141 176.600 0.072 0.000 1.046 511 E CA 0.757 57.195 56.400 0.063 0.000 0.871 511 E CB 0.152 29.877 29.700 0.041 0.000 0.806 511 E HN 0.612 nan 8.360 nan 0.000 0.533 512 T N -3.355 111.265 114.554 0.109 0.000 3.014 512 T HA 0.346 4.709 4.350 0.023 0.000 0.250 512 T C 1.751 176.554 174.700 0.172 0.000 1.060 512 T CA 0.396 62.552 62.100 0.094 0.000 1.040 512 T CB 0.437 69.328 68.868 0.039 0.000 0.971 512 T HN 0.082 nan 8.240 nan 0.000 0.497 513 A N 0.578 123.560 122.820 0.270 0.000 2.267 513 A HA 0.513 4.847 4.320 0.023 0.000 0.213 513 A C 1.979 179.699 177.584 0.227 0.000 1.192 513 A CA -0.174 52.057 52.037 0.324 0.000 0.851 513 A CB -0.577 18.581 19.000 0.262 0.000 0.881 513 A HN 0.489 nan 8.150 nan 0.000 0.494 514 I N 0.404 121.091 120.570 0.195 0.000 2.202 514 I HA -0.115 4.069 4.170 0.023 0.000 0.242 514 I C -0.679 175.539 176.117 0.167 0.000 1.091 514 I CA 1.149 62.576 61.300 0.211 0.000 1.368 514 I CB -0.797 37.237 38.000 0.057 0.000 1.058 514 I HN 0.161 nan 8.210 nan 0.000 0.410 515 P HA -0.145 nan 4.420 nan 0.000 0.218 515 P C 1.922 179.257 177.300 0.059 0.000 1.149 515 P CA 1.358 64.490 63.100 0.052 0.000 0.817 515 P CB 0.043 31.753 31.700 0.017 0.000 0.785 516 L N -1.353 119.916 121.223 0.077 0.000 2.005 516 L HA -0.154 4.200 4.340 0.023 0.000 0.207 516 L C 2.436 179.361 176.870 0.093 0.000 1.072 516 L CA 1.475 56.353 54.840 0.064 0.000 0.744 516 L CB -0.968 41.145 42.059 0.091 0.000 0.895 516 L HN -0.039 nan 8.230 nan 0.000 0.433 517 L N -0.659 120.654 121.223 0.151 0.000 2.083 517 L HA -0.266 4.087 4.340 0.023 0.000 0.209 517 L C 2.543 179.545 176.870 0.219 0.000 1.083 517 L CA 0.991 55.918 54.840 0.144 0.000 0.752 517 L CB -0.438 41.709 42.059 0.146 0.000 0.899 517 L HN 0.322 nan 8.230 nan 0.000 0.433 518 L N 0.031 121.437 121.223 0.304 0.000 1.970 518 L HA -0.179 4.174 4.340 0.023 0.000 0.212 518 L C 2.455 179.412 176.870 0.145 0.000 1.071 518 L CA 1.879 56.874 54.840 0.257 0.000 0.751 518 L CB -0.785 41.363 42.059 0.149 0.000 0.889 518 L HN 0.332 nan 8.230 nan 0.000 0.432 519 G N -0.596 108.258 108.800 0.089 0.000 2.501 519 G HA2 -0.217 3.756 3.960 0.023 0.000 0.220 519 G HA3 -0.217 3.756 3.960 0.023 0.000 0.220 519 G C 1.491 176.426 174.900 0.058 0.000 1.114 519 G CA 0.459 45.589 45.100 0.051 0.000 0.757 519 G HN 0.377 nan 8.290 nan 0.000 0.559 520 L N -0.590 120.675 121.223 0.070 0.000 2.446 520 L HA 0.260 4.614 4.340 0.023 0.000 0.219 520 L C 2.049 178.978 176.870 0.098 0.000 1.116 520 L CA 0.655 55.530 54.840 0.059 0.000 0.844 520 L CB 0.194 42.270 42.059 0.028 0.000 0.970 520 L HN 0.381 nan 8.230 nan 0.000 0.457 521 G N 0.222 109.106 108.800 0.140 0.000 2.154 521 G HA2 -0.226 3.748 3.960 0.023 0.000 0.186 521 G HA3 -0.226 3.748 3.960 0.023 0.000 0.186 521 G C -0.063 174.995 174.900 0.263 0.000 1.000 521 G CA -0.356 44.877 45.100 0.223 0.000 0.664 521 G HN 0.088 nan 8.290 nan 0.000 0.513 522 L N 1.837 123.150 121.223 0.150 0.000 2.601 522 L HA 0.280 4.634 4.340 0.023 0.000 0.277 522 L C 1.208 178.173 176.870 0.159 0.000 1.219 522 L CA 0.935 55.798 54.840 0.039 0.000 0.915 522 L CB 0.385 42.259 42.059 -0.308 0.000 1.160 522 L HN 0.246 nan 8.230 nan 0.000 0.494 523 D N 3.005 123.535 120.400 0.217 0.000 2.162 523 D HA -0.037 4.617 4.640 0.023 0.000 0.205 523 D C 0.269 176.685 176.300 0.193 0.000 0.964 523 D CA 0.921 55.075 54.000 0.256 0.000 0.847 523 D CB 0.432 41.457 40.800 0.375 0.000 0.988 523 D HN 0.639 nan 8.370 nan 0.000 0.480 524 E N -0.361 119.927 120.200 0.147 0.000 2.266 524 E HA 0.302 4.666 4.350 0.023 0.000 0.268 524 E C -1.460 175.167 176.600 0.045 0.000 0.879 524 E CA -0.503 55.976 56.400 0.131 0.000 0.762 524 E CB 1.471 31.204 29.700 0.054 0.000 1.199 524 E HN -0.240 nan 8.360 nan 0.000 0.422 525 F N 1.631 121.616 119.950 0.058 0.000 2.403 525 F HA 0.313 4.848 4.527 0.013 0.000 0.355 525 F C 0.256 176.085 175.800 0.049 0.000 1.119 525 F CA -0.504 57.532 58.000 0.060 0.000 1.007 525 F CB 1.983 41.009 39.000 0.043 0.000 1.194 525 F HN 0.127 nan 8.300 nan 0.000 0.443 526 S N 5.593 121.401 115.700 0.180 0.000 2.462 526 S HA 0.866 5.350 4.470 0.023 0.000 0.294 526 S C -0.197 174.475 174.600 0.121 0.000 1.144 526 S CA -0.567 57.713 58.200 0.133 0.000 1.088 526 S CB 0.844 64.112 63.200 0.114 0.000 1.009 526 S HN 0.685 nan 8.310 nan 0.000 0.484 527 M N 0.390 120.048 119.600 0.098 0.000 3.213 527 M HA 0.582 5.076 4.480 0.023 0.000 0.278 527 M C -0.944 175.389 176.300 0.055 0.000 1.332 527 M CA -0.972 54.377 55.300 0.082 0.000 0.810 527 M CB 1.181 33.837 32.600 0.094 0.000 1.676 527 M HN 0.260 nan 8.290 nan 0.000 0.463 528 S N 1.075 116.803 115.700 0.046 0.000 2.549 528 S HA 0.376 4.859 4.470 0.023 0.000 0.283 528 S C 1.170 175.785 174.600 0.026 0.000 1.320 528 S CA 0.148 58.367 58.200 0.031 0.000 1.058 528 S CB 1.317 64.535 63.200 0.029 0.000 0.882 528 S HN 0.728 nan 8.310 nan 0.000 0.498 529 A N 2.895 125.725 122.820 0.017 0.000 2.084 529 A HA -0.136 4.198 4.320 0.023 0.000 0.221 529 A C 2.169 179.760 177.584 0.011 0.000 1.161 529 A CA 1.966 54.010 52.037 0.012 0.000 0.653 529 A CB -1.196 17.806 19.000 0.004 0.000 0.802 529 A HN 0.894 nan 8.150 nan 0.000 0.457 530 T N -3.878 110.684 114.554 0.014 0.000 3.163 530 T HA 0.093 4.457 4.350 0.023 0.000 0.260 530 T C 1.300 176.009 174.700 0.015 0.000 1.156 530 T CA 1.327 63.435 62.100 0.014 0.000 1.072 530 T CB -0.017 68.862 68.868 0.019 0.000 0.937 530 T HN 0.245 nan 8.240 nan 0.000 0.528 531 S N -0.375 115.336 115.700 0.017 0.000 2.559 531 S HA 0.413 4.896 4.470 0.023 0.000 0.226 531 S C 1.565 176.170 174.600 0.007 0.000 1.030 531 S CA -0.503 57.708 58.200 0.017 0.000 0.956 531 S CB -0.006 63.212 63.200 0.032 0.000 0.900 531 S HN 0.395 nan 8.310 nan 0.000 0.510 532 I N 1.554 122.127 120.570 0.006 0.000 2.127 532 I HA -0.213 3.971 4.170 0.023 0.000 0.241 532 I C 1.889 177.992 176.117 -0.023 0.000 1.075 532 I CA 1.076 62.373 61.300 -0.005 0.000 1.334 532 I CB -0.226 37.775 38.000 0.000 0.000 1.040 532 I HN 0.250 nan 8.210 nan 0.000 0.405 533 L N 0.524 121.735 121.223 -0.021 0.000 2.042 533 L HA -0.220 4.134 4.340 0.023 0.000 0.210 533 L C 2.382 179.230 176.870 -0.036 0.000 1.076 533 L CA 1.860 56.683 54.840 -0.029 0.000 0.749 533 L CB -1.091 40.951 42.059 -0.028 0.000 0.893 533 L HN 0.121 nan 8.230 nan 0.000 0.432 534 K N -0.490 119.893 120.400 -0.029 0.000 2.057 534 K HA 0.003 4.337 4.320 0.023 0.000 0.206 534 K C 2.163 178.737 176.600 -0.043 0.000 1.050 534 K CA 1.280 57.550 56.287 -0.028 0.000 0.935 534 K CB -0.776 31.717 32.500 -0.011 0.000 0.715 534 K HN 0.266 nan 8.250 nan 0.000 0.439 535 A N 0.848 123.635 122.820 -0.054 0.000 1.902 535 A HA -0.194 4.140 4.320 0.023 0.000 0.217 535 A C 2.207 179.715 177.584 -0.128 0.000 1.181 535 A CA 1.818 53.794 52.037 -0.101 0.000 0.623 535 A CB -0.484 18.445 19.000 -0.117 0.000 0.818 535 A HN 0.258 nan 8.150 nan 0.000 0.443 536 R N -0.630 119.811 120.500 -0.099 0.000 2.096 536 R HA -0.136 4.218 4.340 0.023 0.000 0.235 536 R C 2.467 178.720 176.300 -0.078 0.000 1.127 536 R CA 1.617 57.662 56.100 -0.092 0.000 0.968 536 R CB -0.263 29.999 30.300 -0.064 0.000 0.861 536 R HN 0.562 nan 8.270 nan 0.000 0.440 537 R N 0.277 120.739 120.500 -0.063 0.000 2.066 537 R HA -0.186 4.167 4.340 0.023 0.000 0.232 537 R C 2.311 178.579 176.300 -0.053 0.000 1.131 537 R CA 2.008 58.077 56.100 -0.052 0.000 0.955 537 R CB -0.213 30.061 30.300 -0.043 0.000 0.851 537 R HN 0.365 nan 8.270 nan 0.000 0.432 538 Q N 0.459 120.224 119.800 -0.059 0.000 2.020 538 Q HA -0.159 4.195 4.340 0.023 0.000 0.202 538 Q C 2.163 178.120 176.000 -0.072 0.000 0.982 538 Q CA 1.904 57.674 55.803 -0.056 0.000 0.838 538 Q CB -0.105 28.600 28.738 -0.054 0.000 0.899 538 Q HN 0.431 nan 8.270 nan 0.000 0.423 539 I N 1.298 121.801 120.570 -0.112 0.000 2.226 539 I HA -0.280 3.903 4.170 0.023 0.000 0.245 539 I C 1.641 177.703 176.117 -0.091 0.000 1.100 539 I CA 0.969 62.193 61.300 -0.127 0.000 1.374 539 I CB -0.414 37.463 38.000 -0.205 0.000 1.057 539 I HN 0.268 nan 8.210 nan 0.000 0.413 540 N N 1.005 119.655 118.700 -0.084 0.000 2.443 540 N HA -0.092 4.662 4.740 0.023 0.000 0.184 540 N C 1.557 177.034 175.510 -0.055 0.000 1.037 540 N CA 1.231 54.238 53.050 -0.071 0.000 0.896 540 N CB -0.363 38.086 38.487 -0.063 0.000 0.959 540 N HN 0.406 nan 8.380 nan 0.000 0.442 541 G N -0.981 107.791 108.800 -0.047 0.000 3.233 541 G HA2 0.299 4.272 3.960 0.023 0.000 0.234 541 G HA3 0.299 4.272 3.960 0.023 0.000 0.234 541 G C 0.226 175.112 174.900 -0.023 0.000 1.137 541 G CA -0.181 44.900 45.100 -0.032 0.000 0.763 541 G HN 0.092 nan 8.290 nan 0.000 0.549 542 L N 0.037 121.242 121.223 -0.029 0.000 2.304 542 L HA 0.637 4.991 4.340 0.023 0.000 0.268 542 L C -0.036 176.826 176.870 -0.013 0.000 1.010 542 L CA -0.935 53.897 54.840 -0.015 0.000 0.813 542 L CB 2.257 44.307 42.059 -0.016 0.000 1.315 542 L HN 0.018 nan 8.230 nan 0.000 0.445 543 S N 0.222 115.924 115.700 0.003 0.000 2.530 543 S HA 0.211 4.695 4.470 0.023 0.000 0.322 543 S C 0.616 175.225 174.600 0.014 0.000 1.085 543 S CA -0.691 57.513 58.200 0.005 0.000 1.096 543 S CB 1.211 64.420 63.200 0.015 0.000 0.988 543 S HN 0.676 nan 8.310 nan 0.000 0.466 544 K N 3.883 124.290 120.400 0.011 0.000 2.103 544 K HA -0.189 4.145 4.320 0.023 0.000 0.207 544 K C 1.637 178.254 176.600 0.029 0.000 1.048 544 K CA 1.722 58.023 56.287 0.024 0.000 0.930 544 K CB -0.284 32.233 32.500 0.028 0.000 0.716 544 K HN 0.711 nan 8.250 nan 0.000 0.444 545 N N 1.224 119.939 118.700 0.026 0.000 2.061 545 N HA -0.189 4.565 4.740 0.023 0.000 0.193 545 N C 1.301 176.836 175.510 0.042 0.000 1.030 545 N CA 1.963 55.032 53.050 0.031 0.000 0.856 545 N CB 0.016 38.519 38.487 0.028 0.000 1.023 545 N HN 0.305 nan 8.380 nan 0.000 0.424 546 E N -1.064 119.167 120.200 0.050 0.000 2.107 546 E HA -0.101 4.263 4.350 0.023 0.000 0.191 546 E C 1.647 178.279 176.600 0.054 0.000 0.982 546 E CA 0.755 57.205 56.400 0.084 0.000 0.809 546 E CB -0.028 29.736 29.700 0.107 0.000 0.756 546 E HN 0.380 nan 8.360 nan 0.000 0.459 547 M N 0.372 119.982 119.600 0.017 0.000 2.394 547 M HA -0.031 4.462 4.480 0.023 0.000 0.264 547 M C 2.042 178.322 176.300 -0.034 0.000 1.073 547 M CA 1.140 56.419 55.300 -0.034 0.000 1.111 547 M CB -0.760 31.837 32.600 -0.005 0.000 1.401 547 M HN 0.036 nan 8.290 nan 0.000 0.448 548 T N 0.421 114.977 114.554 0.004 0.000 2.708 548 T HA -0.161 4.203 4.350 0.023 0.000 0.266 548 T C 1.743 176.443 174.700 0.000 0.000 1.037 548 T CA 1.826 63.934 62.100 0.013 0.000 1.146 548 T CB -0.059 68.828 68.868 0.030 0.000 0.865 548 T HN 0.352 nan 8.240 nan 0.000 0.435 549 E N 1.206 121.414 120.200 0.014 0.000 2.077 549 E HA -0.110 4.254 4.350 0.023 0.000 0.193 549 E C 2.028 178.613 176.600 -0.025 0.000 0.989 549 E CA 0.898 57.316 56.400 0.030 0.000 0.800 549 E CB -0.693 29.062 29.700 0.092 0.000 0.746 549 E HN 0.356 nan 8.360 nan 0.000 0.452 550 L N 0.412 121.536 121.223 -0.166 0.000 2.042 550 L HA -0.038 4.315 4.340 0.023 0.000 0.210 550 L C 2.253 178.998 176.870 -0.208 0.000 1.076 550 L CA 2.454 57.035 54.840 -0.431 0.000 0.749 550 L CB -1.178 40.393 42.059 -0.813 0.000 0.893 550 L HN 0.194 nan 8.230 nan 0.000 0.432 551 A N -0.429 122.320 122.820 -0.118 0.000 1.898 551 A HA -0.191 4.142 4.320 0.023 0.000 0.216 551 A C 1.978 179.546 177.584 -0.028 0.000 1.181 551 A CA 1.721 53.726 52.037 -0.053 0.000 0.620 551 A CB -0.812 18.177 19.000 -0.018 0.000 0.819 551 A HN 0.604 nan 8.150 nan 0.000 0.442 552 N N -0.320 118.369 118.700 -0.017 0.000 2.520 552 N HA -0.061 4.693 4.740 0.023 0.000 0.185 552 N C 1.581 177.094 175.510 0.005 0.000 1.068 552 N CA 0.827 53.878 53.050 0.001 0.000 0.911 552 N CB -0.288 38.207 38.487 0.012 0.000 0.961 552 N HN 0.554 nan 8.380 nan 0.000 0.446 553 R N -0.153 120.346 120.500 -0.001 0.000 2.173 553 R HA 0.254 4.607 4.340 0.023 0.000 0.208 553 R C 1.959 178.263 176.300 0.007 0.000 1.035 553 R CA 0.687 56.797 56.100 0.015 0.000 1.004 553 R CB 0.048 30.372 30.300 0.041 0.000 0.917 553 R HN 0.120 nan 8.270 nan 0.000 0.462 554 A N 1.144 123.958 122.820 -0.010 0.000 1.872 554 A HA -0.099 4.234 4.320 0.023 0.000 0.214 554 A C 2.236 179.825 177.584 0.008 0.000 1.187 554 A CA 1.456 53.492 52.037 -0.001 0.000 0.614 554 A CB -0.615 18.381 19.000 -0.006 0.000 0.826 554 A HN 0.186 nan 8.150 nan 0.000 0.442 555 V N -2.097 117.819 119.914 0.003 0.000 2.867 555 V HA -0.140 3.994 4.120 0.023 0.000 0.260 555 V C 0.796 176.892 176.094 0.004 0.000 1.099 555 V CA 2.239 64.540 62.300 0.002 0.000 1.122 555 V CB -0.799 31.022 31.823 -0.004 0.000 0.708 555 V HN 0.357 nan 8.190 nan 0.000 0.490 556 D N -0.561 119.844 120.400 0.008 0.000 2.388 556 D HA 0.253 4.907 4.640 0.023 0.000 0.221 556 D C 0.508 176.816 176.300 0.013 0.000 1.133 556 D CA -0.095 53.911 54.000 0.010 0.000 0.831 556 D CB -0.172 40.636 40.800 0.012 0.000 0.962 556 D HN 0.509 nan 8.370 nan 0.000 0.502 557 C N 0.087 119.396 119.300 0.015 0.000 2.500 557 C HA 0.577 5.050 4.460 0.023 0.000 0.367 557 C C 1.950 176.950 174.990 0.017 0.000 1.283 557 C CA -0.440 58.589 59.018 0.018 0.000 2.456 557 C CB 1.188 28.940 27.740 0.021 0.000 2.457 557 C HN 0.387 nan 8.230 nan 0.000 0.632 558 A N 0.453 123.284 122.820 0.018 0.000 2.115 558 A HA 0.363 4.697 4.320 0.023 0.000 0.211 558 A C 0.831 178.428 177.584 0.021 0.000 1.169 558 A CA 0.814 52.862 52.037 0.018 0.000 0.787 558 A CB 0.067 19.077 19.000 0.017 0.000 0.858 558 A HN 0.826 nan 8.150 nan 0.000 0.474 559 T N -2.846 111.723 114.554 0.026 0.000 2.821 559 T HA 0.283 4.647 4.350 0.023 0.000 0.306 559 T C 0.404 175.128 174.700 0.041 0.000 1.313 559 T CA -0.074 62.046 62.100 0.033 0.000 1.012 559 T CB 1.497 70.386 68.868 0.035 0.000 1.298 559 T HN 0.207 nan 8.240 nan 0.000 0.502 560 Q N 0.545 120.378 119.800 0.054 0.000 2.124 560 Q HA -0.119 4.235 4.340 0.023 0.000 0.202 560 Q C 1.740 177.772 176.000 0.054 0.000 0.977 560 Q CA 1.771 57.620 55.803 0.076 0.000 0.850 560 Q CB -0.054 28.745 28.738 0.102 0.000 0.901 560 Q HN 0.722 nan 8.270 nan 0.000 0.429 561 E N 0.895 121.121 120.200 0.044 0.000 2.085 561 E HA -0.253 4.111 4.350 0.023 0.000 0.194 561 E C 1.480 178.088 176.600 0.013 0.000 0.994 561 E CA 1.522 57.938 56.400 0.026 0.000 0.801 561 E CB -0.016 29.701 29.700 0.029 0.000 0.743 561 E HN 0.499 nan 8.360 nan 0.000 0.453 562 E N -0.131 120.080 120.200 0.019 0.000 2.110 562 E HA -0.129 4.235 4.350 0.023 0.000 0.193 562 E C 2.265 178.870 176.600 0.010 0.000 0.988 562 E CA 1.269 57.678 56.400 0.016 0.000 0.804 562 E CB 0.141 29.853 29.700 0.021 0.000 0.745 562 E HN 0.145 nan 8.360 nan 0.000 0.458 563 V N 1.211 121.132 119.914 0.011 0.000 2.323 563 V HA -0.220 3.914 4.120 0.023 0.000 0.244 563 V C 2.291 178.353 176.094 -0.054 0.000 1.041 563 V CA 1.296 63.597 62.300 0.002 0.000 1.025 563 V CB -0.281 31.568 31.823 0.043 0.000 0.656 563 V HN 0.243 nan 8.190 nan 0.000 0.451 564 I N 0.486 121.001 120.570 -0.091 0.000 2.361 564 I HA -0.224 3.959 4.170 0.023 0.000 0.251 564 I C 2.260 178.312 176.117 -0.109 0.000 1.133 564 I CA 1.750 62.937 61.300 -0.189 0.000 1.413 564 I CB -0.324 37.567 38.000 -0.181 0.000 1.073 564 I HN 0.399 nan 8.210 nan 0.000 0.424 565 E N 0.013 120.183 120.200 -0.049 0.000 2.112 565 E HA -0.146 4.217 4.350 0.023 0.000 0.190 565 E C 2.288 178.890 176.600 0.004 0.000 0.979 565 E CA 0.942 57.331 56.400 -0.019 0.000 0.814 565 E CB -0.270 29.428 29.700 -0.004 0.000 0.762 565 E HN 0.506 nan 8.360 nan 0.000 0.460 566 L N 1.031 122.261 121.223 0.011 0.000 2.012 566 L HA -0.214 4.140 4.340 0.023 0.000 0.210 566 L C 2.305 179.212 176.870 0.061 0.000 1.073 566 L CA 1.274 56.145 54.840 0.052 0.000 0.748 566 L CB -0.187 41.895 42.059 0.039 0.000 0.891 566 L HN 0.081 nan 8.230 nan 0.000 0.431 567 V N 0.358 120.265 119.914 -0.010 0.000 2.295 567 V HA -0.339 3.795 4.120 0.023 0.000 0.246 567 V C 2.027 178.128 176.094 0.011 0.000 1.049 567 V CA 2.514 64.797 62.300 -0.028 0.000 1.024 567 V CB -0.953 30.812 31.823 -0.098 0.000 0.648 567 V HN 0.565 nan 8.190 nan 0.000 0.447 568 N N 0.498 119.190 118.700 -0.012 0.000 2.244 568 N HA -0.114 4.640 4.740 0.023 0.000 0.183 568 N C 0.647 176.176 175.510 0.031 0.000 1.016 568 N CA 1.325 54.374 53.050 -0.001 0.000 0.866 568 N CB -0.079 38.395 38.487 -0.022 0.000 0.980 568 N HN 0.526 nan 8.380 nan 0.000 0.430 569 N N -0.649 118.082 118.700 0.052 0.000 2.416 569 N HA 0.065 4.818 4.740 0.023 0.000 0.267 569 N C -1.238 174.320 175.510 0.081 0.000 1.294 569 N CA -0.327 52.753 53.050 0.050 0.000 0.891 569 N CB 0.218 38.720 38.487 0.025 0.000 1.238 569 N HN 0.216 nan 8.380 nan 0.000 0.508 570 Y N 1.526 121.820 120.300 -0.010 0.000 2.346 570 Y HA 0.318 4.881 4.550 0.021 0.000 0.330 570 Y C 0.616 176.514 175.900 -0.003 0.000 1.178 570 Y CA -0.758 57.339 58.100 -0.005 0.000 1.331 570 Y CB 0.514 38.972 38.460 -0.002 0.000 1.253 570 Y HN -0.037 nan 8.280 nan 0.000 0.529 571 V N 0.000 119.497 119.914 -0.695 0.000 2.409 571 V HA 0.000 4.134 4.120 0.023 0.000 0.244 571 V CA 0.000 62.019 62.300 -0.469 0.000 1.235 571 V CB 0.000 31.646 31.823 -0.295 0.000 1.184 571 V HN 0.000 nan 8.190 nan 0.000 0.556