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 3cgt_1_A DATA FIRST_RESID 1 DATA SEQUENCE DPDTAVTNKQ SFSTDVIYQV FTDRFLDGNP SNNPTGAAYD ATcSNLKLYc DATA SEQUENCE GGDWQGLINK INDNYFSDLG VTALWISQPV ENIFATINYS GVTNTAYHGY DATA SEQUENCE WARDFKKTNP YFGTMADFQN LITTAHAKGI KIVIDFAPNH TSPAMETDTS DATA SEQUENCE FAENGRLYDN GTLVGGYTND TNGYFHHNGG SDFSSLENGI YKNLYDLADF DATA SEQUENCE NHNNATIDKY FKDAIKLWLD MGVDGIRVDA VKHMPLGWQK SWMSSIYAHK DATA SEQUENCE PVFTFGAWFL GSAASDADNT DFANKSGMSL LDFRFNSAVR NVFRDNTSNM DATA SEQUENCE YALDSMINST ATDYNQVNDQ VTFIDNHDMD RFKTSAVNNR RLEQALAFTL DATA SEQUENCE TSRGVPAIYY GTEQYLTGNG DPDNRAKMPS FSKSTTAFNV ISKLAPLRKS DATA SEQUENCE NPAIAYGSTQ QRWINNDVYV YERKFGKSVA VVAVNRNLST SASITGLSTS DATA SEQUENCE LPTGSYTDVL GGVLNGNNIT STNGSINNFT LAAGATAVWQ YTTAETTPTI DATA SEQUENCE GHVGPVMGKP GNVVTIDGRG FGSTKGTVYF GTTAVTGAAI TSWEDTQIKV DATA SEQUENCE TIPSVAAGNY AVKVAASGVN SNAYNNFTIL TGDQVTVRFV VNNASTTLGQ DATA SEQUENCE NLYLTGNVAE LGNWSTGSTA IGPAFNQVIH QYPTWYYDVS VPAGKQLEFK DATA SEQUENCE FFKKNGSTIT WESGSNHTFT TPASGTATVT VNWQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 D HA 0.000 nan 4.640 nan 0.000 0.175 1 D C 0.000 176.286 176.300 -0.024 0.000 2.045 1 D CA 0.000 53.987 54.000 -0.021 0.000 0.868 1 D CB 0.000 40.780 40.800 -0.033 0.000 0.688 2 P HA 0.144 nan 4.420 nan 0.000 0.272 2 P C 0.477 177.753 177.300 -0.040 0.000 1.230 2 P CA -0.139 62.942 63.100 -0.031 0.000 0.788 2 P CB 0.886 32.566 31.700 -0.034 0.000 0.949 3 D N 0.446 120.826 120.400 -0.033 0.000 2.221 3 D HA -0.143 4.495 4.640 -0.002 0.000 0.204 3 D C 1.245 177.511 176.300 -0.056 0.000 0.982 3 D CA 1.446 55.431 54.000 -0.025 0.000 0.857 3 D CB -1.152 39.659 40.800 0.018 0.000 0.934 3 D HN 0.252 nan 8.370 nan 0.000 0.475 4 T N 0.259 114.776 114.554 -0.062 0.000 2.951 4 T HA 0.173 4.522 4.350 -0.002 0.000 0.268 4 T C 1.126 175.759 174.700 -0.112 0.000 1.073 4 T CA 0.639 62.683 62.100 -0.094 0.000 1.134 4 T CB -0.228 68.596 68.868 -0.074 0.000 0.884 4 T HN 0.427 nan 8.240 nan 0.000 0.479 5 A N 0.602 123.366 122.820 -0.094 0.000 2.475 5 A HA 0.246 4.564 4.320 -0.002 0.000 0.239 5 A C 1.768 179.275 177.584 -0.128 0.000 1.087 5 A CA -0.172 51.807 52.037 -0.096 0.000 0.779 5 A CB -0.033 18.921 19.000 -0.077 0.000 1.036 5 A HN 0.190 nan 8.150 nan 0.000 0.506 6 V N 1.136 120.980 119.914 -0.116 0.000 2.913 6 V HA -0.116 4.002 4.120 -0.002 0.000 0.260 6 V C 2.020 178.018 176.094 -0.160 0.000 1.098 6 V CA 2.683 64.906 62.300 -0.128 0.000 1.121 6 V CB -0.867 30.914 31.823 -0.070 0.000 0.714 6 V HN 0.961 nan 8.190 nan 0.000 0.487 7 T N 0.331 114.796 114.554 -0.147 0.000 3.160 7 T HA -0.018 4.330 4.350 -0.002 0.000 0.257 7 T C 1.050 175.686 174.700 -0.108 0.000 1.147 7 T CA 0.391 62.405 62.100 -0.143 0.000 1.064 7 T CB -0.503 68.299 68.868 -0.110 0.000 0.949 7 T HN 0.396 nan 8.240 nan 0.000 0.526 8 N N 2.107 120.732 118.700 -0.125 0.000 2.739 8 N HA 0.099 4.837 4.740 -0.002 0.000 0.266 8 N C 0.824 176.282 175.510 -0.087 0.000 1.168 8 N CA 0.004 52.991 53.050 -0.105 0.000 1.055 8 N CB 0.290 38.698 38.487 -0.132 0.000 1.393 8 N HN 0.328 nan 8.380 nan 0.000 0.514 9 K N 1.140 121.548 120.400 0.013 0.000 2.365 9 K HA -0.075 4.243 4.320 -0.002 0.000 0.199 9 K C 0.905 177.671 176.600 0.276 0.000 1.045 9 K CA 0.911 57.293 56.287 0.158 0.000 0.962 9 K CB 0.410 32.995 32.500 0.141 0.000 0.759 9 K HN 0.368 nan 8.250 nan 0.000 0.469 10 Q N -0.228 119.679 119.800 0.178 0.000 2.398 10 Q HA 0.097 4.436 4.340 -0.002 0.000 0.204 10 Q C 0.224 176.393 176.000 0.282 0.000 0.932 10 Q CA 0.310 56.255 55.803 0.236 0.000 0.916 10 Q CB 0.970 29.791 28.738 0.138 0.000 1.024 10 Q HN -0.057 nan 8.270 nan 0.000 0.504 11 S N -0.734 115.026 115.700 0.100 0.000 2.647 11 S HA 0.448 4.917 4.470 -0.002 0.000 0.300 11 S C -0.951 173.441 174.600 -0.346 0.000 1.129 11 S CA -0.624 57.471 58.200 -0.176 0.000 1.029 11 S CB 0.217 63.251 63.200 -0.277 0.000 1.007 11 S HN 0.147 nan 8.310 nan 0.000 0.484 12 F N 2.576 122.008 119.950 -0.863 0.000 2.641 12 F HA 0.292 4.817 4.527 -0.002 0.000 0.302 12 F C 2.084 177.521 175.800 -0.605 0.000 1.098 12 F CA -0.132 57.447 58.000 -0.701 0.000 1.318 12 F CB 0.205 38.704 39.000 -0.836 0.000 1.035 12 F HN 0.507 nan 8.300 nan 0.000 0.551 13 S N -0.595 114.795 115.700 -0.517 0.000 2.419 13 S HA -0.160 4.309 4.470 -0.002 0.000 0.233 13 S C 2.135 176.465 174.600 -0.449 0.000 1.016 13 S CA 1.854 59.767 58.200 -0.478 0.000 0.974 13 S CB -0.469 62.408 63.200 -0.537 0.000 0.786 13 S HN 0.531 nan 8.310 nan 0.000 0.492 14 T N -0.533 113.765 114.554 -0.426 0.000 3.144 14 T HA 0.166 4.515 4.350 -0.002 0.000 0.249 14 T C 0.093 174.627 174.700 -0.277 0.000 1.089 14 T CA -0.222 61.662 62.100 -0.359 0.000 0.989 14 T CB 0.011 68.693 68.868 -0.309 0.000 0.992 14 T HN 0.077 nan 8.240 nan 0.000 0.540 15 D N 0.749 120.986 120.400 -0.272 0.000 2.487 15 D HA 0.573 5.211 4.640 -0.002 0.000 0.262 15 D C -0.818 175.412 176.300 -0.115 0.000 1.130 15 D CA -0.544 53.337 54.000 -0.197 0.000 1.038 15 D CB 2.353 43.012 40.800 -0.236 0.000 1.142 15 D HN 0.010 nan 8.370 nan 0.000 0.575 16 V N 1.529 121.413 119.914 -0.049 0.000 2.532 16 V HA 0.288 4.407 4.120 -0.002 0.000 0.294 16 V C -0.007 176.140 176.094 0.087 0.000 1.036 16 V CA -0.636 61.666 62.300 0.003 0.000 0.876 16 V CB 1.462 33.276 31.823 -0.015 0.000 1.012 16 V HN 0.351 nan 8.190 nan 0.000 0.432 17 I N 4.329 124.990 120.570 0.152 0.000 2.472 17 I HA 0.333 4.502 4.170 -0.002 0.000 0.290 17 I C -0.761 175.535 176.117 0.300 0.000 1.016 17 I CA -0.502 60.950 61.300 0.254 0.000 1.348 17 I CB 0.916 39.106 38.000 0.317 0.000 1.417 17 I HN 0.604 nan 8.210 nan 0.000 0.521 18 Y N 6.132 126.515 120.300 0.139 0.000 2.402 18 Y HA 0.227 4.776 4.550 -0.002 0.000 0.332 18 Y C -0.008 175.970 175.900 0.130 0.000 0.960 18 Y CA -0.488 57.679 58.100 0.113 0.000 1.228 18 Y CB 0.847 39.305 38.460 -0.004 0.000 1.120 18 Y HN 0.501 nan 8.280 nan 0.000 0.491 19 Q N 5.841 125.601 119.800 -0.065 0.000 2.294 19 Q HA 0.518 4.857 4.340 -0.002 0.000 0.257 19 Q C -1.791 174.124 176.000 -0.141 0.000 0.955 19 Q CA -0.349 55.321 55.803 -0.221 0.000 0.936 19 Q CB 1.275 29.705 28.738 -0.513 0.000 1.188 19 Q HN 0.630 nan 8.270 nan 0.000 0.420 20 V N 5.689 125.505 119.914 -0.163 0.000 2.709 20 V HA 0.419 4.537 4.120 -0.002 0.000 0.308 20 V C -1.475 174.523 176.094 -0.159 0.000 1.062 20 V CA -0.717 61.514 62.300 -0.115 0.000 0.901 20 V CB 1.654 33.325 31.823 -0.253 0.000 1.003 20 V HN 0.757 nan 8.190 nan 0.000 0.425 21 F N 5.150 124.869 119.950 -0.384 0.000 2.434 21 F HA 0.317 4.843 4.527 -0.003 0.000 0.358 21 F C 1.866 177.497 175.800 -0.282 0.000 1.136 21 F CA 0.359 58.213 58.000 -0.243 0.000 1.157 21 F CB 1.216 40.188 39.000 -0.046 0.000 1.167 21 F HN 0.711 nan 8.300 nan 0.000 0.539 22 T N 1.266 115.657 114.554 -0.272 0.000 2.649 22 T HA -0.341 4.008 4.350 -0.002 0.000 0.268 22 T C 1.711 176.355 174.700 -0.094 0.000 1.036 22 T CA 2.139 64.052 62.100 -0.312 0.000 1.157 22 T CB -0.279 68.052 68.868 -0.896 0.000 0.861 22 T HN 0.626 nan 8.240 nan 0.000 0.445 23 D N 0.419 120.849 120.400 0.050 0.000 2.178 23 D HA -0.096 4.543 4.640 -0.002 0.000 0.201 23 D C 2.080 178.495 176.300 0.192 0.000 0.980 23 D CA 0.709 54.867 54.000 0.263 0.000 0.842 23 D CB 0.124 41.154 40.800 0.383 0.000 0.948 23 D HN 0.094 nan 8.370 nan 0.000 0.472 24 R N -0.652 119.934 120.500 0.142 0.000 2.317 24 R HA 0.075 4.414 4.340 -0.002 0.000 0.208 24 R C 1.109 177.445 176.300 0.060 0.000 0.914 24 R CA -0.052 56.091 56.100 0.072 0.000 1.060 24 R CB -0.460 29.872 30.300 0.053 0.000 1.015 24 R HN 0.316 nan 8.270 nan 0.000 0.498 25 F N 0.109 120.013 119.950 -0.078 0.000 2.204 25 F HA 0.290 4.815 4.527 -0.003 0.000 0.276 25 F C 0.565 176.449 175.800 0.140 0.000 1.085 25 F CA 0.667 58.672 58.000 0.009 0.000 1.160 25 F CB 0.500 39.519 39.000 0.031 0.000 1.091 25 F HN -0.184 nan 8.300 nan 0.000 0.522 26 L N 1.075 122.449 121.223 0.251 0.000 2.562 26 L HA 0.210 4.548 4.340 -0.002 0.000 0.266 26 L C -1.765 175.207 176.870 0.170 0.000 0.949 26 L CA -0.686 54.238 54.840 0.140 0.000 0.879 26 L CB 1.457 43.568 42.059 0.086 0.000 1.278 26 L HN 0.052 nan 8.230 nan 0.000 0.404 27 D N 2.812 123.293 120.400 0.135 0.000 2.508 27 D HA 0.219 4.857 4.640 -0.002 0.000 0.224 27 D C 1.234 177.600 176.300 0.110 0.000 1.171 27 D CA 0.288 54.371 54.000 0.139 0.000 1.006 27 D CB 1.305 42.191 40.800 0.144 0.000 1.073 27 D HN 0.669 nan 8.370 nan 0.000 0.513 28 G N 3.419 112.290 108.800 0.119 0.000 2.443 28 G HA2 -0.218 3.741 3.960 -0.002 0.000 0.219 28 G HA3 -0.218 3.741 3.960 -0.002 0.000 0.219 28 G C 0.775 175.723 174.900 0.081 0.000 1.131 28 G CA -0.049 45.109 45.100 0.096 0.000 0.775 28 G HN 0.568 nan 8.290 nan 0.000 0.547 29 N N -0.319 118.431 118.700 0.084 0.000 2.577 29 N HA 0.253 4.992 4.740 -0.002 0.000 0.275 29 N C -2.573 172.963 175.510 0.043 0.000 1.091 29 N CA -1.449 51.638 53.050 0.061 0.000 0.843 29 N CB 2.354 40.882 38.487 0.068 0.000 1.295 29 N HN -0.211 nan 8.380 nan 0.000 0.530 30 P HA 0.057 nan 4.420 nan 0.000 0.234 30 P C 0.689 177.958 177.300 -0.051 0.000 1.167 30 P CA 0.644 63.740 63.100 -0.007 0.000 0.763 30 P CB 0.346 32.051 31.700 0.009 0.000 0.835 31 S N 0.076 115.760 115.700 -0.026 0.000 2.522 31 S HA -0.059 4.410 4.470 -0.002 0.000 0.227 31 S C 1.326 175.896 174.600 -0.049 0.000 0.986 31 S CA 0.937 59.114 58.200 -0.038 0.000 0.929 31 S CB -0.726 62.464 63.200 -0.016 0.000 0.769 31 S HN 0.395 nan 8.310 nan 0.000 0.529 32 N N 0.391 119.069 118.700 -0.036 0.000 2.184 32 N HA 0.105 4.843 4.740 -0.002 0.000 0.206 32 N C -0.618 174.887 175.510 -0.008 0.000 1.151 32 N CA -0.300 52.737 53.050 -0.021 0.000 0.878 32 N CB -0.446 38.042 38.487 0.002 0.000 1.014 32 N HN -0.037 nan 8.380 nan 0.000 0.512 33 N N 2.282 120.901 118.700 -0.134 0.000 2.454 33 N HA 0.180 4.919 4.740 -0.002 0.000 0.254 33 N C -2.302 172.941 175.510 -0.445 0.000 1.228 33 N CA -0.909 51.940 53.050 -0.335 0.000 0.900 33 N CB 0.109 38.224 38.487 -0.619 0.000 1.089 33 N HN 0.197 nan 8.380 nan 0.000 0.449 34 P HA 0.055 nan 4.420 nan 0.000 0.270 34 P C -0.192 176.837 177.300 -0.451 0.000 1.227 34 P CA 0.056 62.717 63.100 -0.732 0.000 0.788 34 P CB 0.528 31.584 31.700 -1.074 0.000 0.926 35 T N 0.131 114.521 114.554 -0.273 0.000 2.888 35 T HA 0.579 4.927 4.350 -0.002 0.000 0.284 35 T C 0.311 174.965 174.700 -0.077 0.000 1.017 35 T CA 0.667 62.669 62.100 -0.165 0.000 1.022 35 T CB 0.355 69.143 68.868 -0.134 0.000 1.013 35 T HN 0.738 nan 8.240 nan 0.000 0.465 36 G N 2.633 111.424 108.800 -0.015 0.000 2.509 36 G HA2 -0.148 3.810 3.960 -0.002 0.000 0.259 36 G HA3 -0.148 3.810 3.960 -0.002 0.000 0.259 36 G C 1.217 176.144 174.900 0.044 0.000 1.169 36 G CA 0.219 45.327 45.100 0.013 0.000 0.953 36 G HN 1.361 nan 8.290 nan 0.000 0.563 37 A N -0.370 122.466 122.820 0.026 0.000 2.070 37 A HA 0.354 4.673 4.320 -0.002 0.000 0.220 37 A C 2.796 180.412 177.584 0.054 0.000 1.159 37 A CA 3.068 55.125 52.037 0.033 0.000 0.656 37 A CB -0.766 18.248 19.000 0.023 0.000 0.800 37 A HN 2.294 nan 8.150 nan 0.000 0.453 38 A N -2.369 120.485 122.820 0.056 0.000 2.167 38 A HA 0.289 4.607 4.320 -0.002 0.000 0.214 38 A C 0.651 178.336 177.584 0.168 0.000 1.151 38 A CA 0.403 52.499 52.037 0.099 0.000 0.735 38 A CB -0.279 18.735 19.000 0.023 0.000 0.802 38 A HN 0.545 nan 8.150 nan 0.000 0.467 39 Y N -0.185 120.093 120.300 -0.036 0.000 2.409 39 Y HA 0.557 5.105 4.550 -0.003 0.000 0.339 39 Y C -1.357 174.536 175.900 -0.011 0.000 1.033 39 Y CA -2.033 56.049 58.100 -0.030 0.000 1.094 39 Y CB 1.498 39.901 38.460 -0.094 0.000 1.210 39 Y HN 0.095 nan 8.280 nan 0.000 0.456 40 D N 4.059 124.060 120.400 -0.665 0.000 2.358 40 D HA 0.373 5.011 4.640 -0.002 0.000 0.253 40 D C 0.386 176.211 176.300 -0.792 0.000 1.288 40 D CA 0.176 53.843 54.000 -0.554 0.000 0.950 40 D CB 1.273 41.914 40.800 -0.264 0.000 1.197 40 D HN 0.763 nan 8.370 nan 0.000 0.550 41 A N 2.356 124.647 122.820 -0.882 0.000 1.958 41 A HA -0.214 4.104 4.320 -0.002 0.000 0.221 41 A C 1.976 179.416 177.584 -0.241 0.000 1.178 41 A CA 2.555 54.281 52.037 -0.517 0.000 0.642 41 A CB -0.799 18.107 19.000 -0.157 0.000 0.816 41 A HN 0.612 nan 8.150 nan 0.000 0.453 42 T N -5.433 109.003 114.554 -0.197 0.000 3.023 42 T HA -0.015 4.333 4.350 -0.002 0.000 0.266 42 T C 0.977 175.605 174.700 -0.120 0.000 1.093 42 T CA 0.745 62.772 62.100 -0.122 0.000 1.129 42 T CB -1.133 67.678 68.868 -0.095 0.000 0.899 42 T HN 1.264 nan 8.240 nan 0.000 0.491 43 c N 2.280 120.784 118.600 -0.161 0.000 4.354 43 c HA -0.189 4.380 4.570 -0.002 0.000 0.307 43 c C 1.660 175.685 174.090 -0.109 0.000 1.318 43 c CA 0.543 56.790 56.329 -0.137 0.000 2.060 43 c CB -2.667 39.783 42.510 -0.100 0.000 1.283 43 c HN 0.863 nan 8.230 nan 0.000 0.723 44 S N -1.156 114.480 115.700 -0.107 0.000 2.514 44 S HA 0.114 4.582 4.470 -0.002 0.000 0.223 44 S C 0.444 174.995 174.600 -0.082 0.000 1.046 44 S CA 0.728 58.878 58.200 -0.082 0.000 0.914 44 S CB -0.113 63.046 63.200 -0.068 0.000 0.807 44 S HN 0.794 nan 8.310 nan 0.000 0.497 45 N N 2.125 120.767 118.700 -0.096 0.000 2.918 45 N HA 0.252 4.990 4.740 -0.002 0.000 0.247 45 N C 0.417 175.849 175.510 -0.130 0.000 1.117 45 N CA -0.544 52.455 53.050 -0.086 0.000 1.005 45 N CB -0.002 38.445 38.487 -0.066 0.000 1.297 45 N HN 0.033 nan 8.380 nan 0.000 0.513 46 L N 1.540 122.678 121.223 -0.141 0.000 2.563 46 L HA -0.130 4.208 4.340 -0.002 0.000 0.230 46 L C 1.860 178.501 176.870 -0.381 0.000 1.162 46 L CA 1.225 55.926 54.840 -0.232 0.000 0.812 46 L CB -0.567 41.398 42.059 -0.156 0.000 0.935 46 L HN 0.475 nan 8.230 nan 0.000 0.451 47 K N -0.848 119.426 120.400 -0.211 0.000 2.361 47 K HA 0.190 4.509 4.320 -0.002 0.000 0.196 47 K C 0.860 177.380 176.600 -0.134 0.000 1.039 47 K CA 0.155 56.376 56.287 -0.111 0.000 1.001 47 K CB 0.329 32.877 32.500 0.080 0.000 0.795 47 K HN 0.278 nan 8.250 nan 0.000 0.495 48 L N -0.418 120.698 121.223 -0.178 0.000 2.440 48 L HA 0.295 4.633 4.340 -0.002 0.000 0.262 48 L C 0.235 177.019 176.870 -0.144 0.000 1.072 48 L CA -1.200 53.604 54.840 -0.061 0.000 0.798 48 L CB 0.034 42.087 42.059 -0.010 0.000 1.307 48 L HN -0.136 nan 8.230 nan 0.000 0.475 49 Y N -1.350 118.929 120.300 -0.035 0.000 2.304 49 Y HA 0.079 4.627 4.550 -0.003 0.000 0.327 49 Y C 0.768 176.660 175.900 -0.013 0.000 1.209 49 Y CA -0.187 57.927 58.100 0.023 0.000 1.299 49 Y CB 0.973 39.454 38.460 0.034 0.000 1.249 49 Y HN 0.481 nan 8.280 nan 0.000 0.519 50 c N 0.182 118.898 118.600 0.194 0.000 3.230 50 c HA 0.375 4.943 4.570 -0.002 0.000 0.300 50 c C 1.625 175.880 174.090 0.275 0.000 1.292 50 c CA 0.297 56.676 56.329 0.085 0.000 1.707 50 c CB -0.206 42.314 42.510 0.018 0.000 2.181 50 c HN 1.211 nan 8.230 nan 0.000 0.655 51 G N 0.566 109.601 108.800 0.392 0.000 2.218 51 G HA2 -0.067 3.892 3.960 -0.002 0.000 0.216 51 G HA3 -0.067 3.892 3.960 -0.002 0.000 0.216 51 G C 0.430 175.492 174.900 0.270 0.000 0.994 51 G CA -0.047 45.263 45.100 0.350 0.000 0.637 51 G HN 0.821 nan 8.290 nan 0.000 0.505 52 G N 0.935 109.890 108.800 0.258 0.000 2.224 52 G HA2 0.483 4.441 3.960 -0.002 0.000 0.239 52 G HA3 0.483 4.441 3.960 -0.002 0.000 0.239 52 G C 0.099 175.135 174.900 0.227 0.000 1.240 52 G CA 1.256 46.489 45.100 0.223 0.000 0.896 52 G HN 1.116 nan 8.290 nan 0.000 0.496 53 D N -0.050 120.457 120.400 0.178 0.000 2.812 53 D HA 0.278 4.917 4.640 -0.002 0.000 0.318 53 D C 0.527 176.926 176.300 0.165 0.000 1.234 53 D CA -0.919 53.147 54.000 0.110 0.000 0.989 53 D CB 0.222 41.099 40.800 0.129 0.000 1.442 53 D HN 0.299 nan 8.370 nan 0.000 0.537 54 W N -0.531 120.872 121.300 0.170 0.000 2.402 54 W HA -0.006 4.652 4.660 -0.002 0.000 0.286 54 W C 2.062 178.648 176.519 0.111 0.000 1.221 54 W CA 0.803 58.221 57.345 0.122 0.000 1.257 54 W CB -0.938 28.618 29.460 0.159 0.000 1.120 54 W HN 0.532 nan 8.180 nan 0.000 0.551 55 Q N 0.470 120.459 119.800 0.314 0.000 2.181 55 Q HA -0.084 4.254 4.340 -0.002 0.000 0.205 55 Q C 2.363 178.473 176.000 0.182 0.000 0.980 55 Q CA 2.363 58.292 55.803 0.211 0.000 0.862 55 Q CB -0.959 27.875 28.738 0.159 0.000 0.905 55 Q HN 0.170 nan 8.270 nan 0.000 0.429 56 G N 0.331 109.254 108.800 0.206 0.000 2.418 56 G HA2 -0.207 3.751 3.960 -0.002 0.000 0.217 56 G HA3 -0.207 3.751 3.960 -0.002 0.000 0.217 56 G C 1.331 176.386 174.900 0.259 0.000 1.158 56 G CA 0.909 46.130 45.100 0.203 0.000 0.771 56 G HN 0.388 nan 8.290 nan 0.000 0.545 57 L N 0.056 121.466 121.223 0.312 0.000 2.017 57 L HA -0.056 4.282 4.340 -0.002 0.000 0.208 57 L C 2.887 179.909 176.870 0.253 0.000 1.073 57 L CA 0.780 55.813 54.840 0.322 0.000 0.745 57 L CB -0.500 41.688 42.059 0.214 0.000 0.894 57 L HN 0.195 nan 8.230 nan 0.000 0.432 58 I N 0.147 120.823 120.570 0.177 0.000 2.118 58 I HA -0.340 3.829 4.170 -0.002 0.000 0.241 58 I C 2.353 178.527 176.117 0.095 0.000 1.070 58 I CA 1.379 62.749 61.300 0.117 0.000 1.327 58 I CB -0.482 37.578 38.000 0.100 0.000 1.034 58 I HN 0.360 nan 8.210 nan 0.000 0.405 59 N N 1.068 119.815 118.700 0.077 0.000 2.037 59 N HA -0.199 4.539 4.740 -0.002 0.000 0.196 59 N C 1.709 177.199 175.510 -0.034 0.000 1.034 59 N CA 1.346 54.405 53.050 0.015 0.000 0.861 59 N CB -0.375 38.106 38.487 -0.010 0.000 1.039 59 N HN 0.238 nan 8.380 nan 0.000 0.427 60 K N 0.767 121.132 120.400 -0.058 0.000 2.211 60 K HA 0.059 4.378 4.320 -0.002 0.000 0.203 60 K C 2.113 178.657 176.600 -0.093 0.000 1.050 60 K CA 0.355 56.516 56.287 -0.211 0.000 0.945 60 K CB -0.346 31.904 32.500 -0.418 0.000 0.732 60 K HN 0.352 nan 8.250 nan 0.000 0.451 61 I N 1.332 121.973 120.570 0.117 0.000 2.233 61 I HA -0.238 3.930 4.170 -0.002 0.000 0.243 61 I C 1.733 177.899 176.117 0.081 0.000 1.093 61 I CA 0.837 62.256 61.300 0.199 0.000 1.380 61 I CB -0.284 37.833 38.000 0.195 0.000 1.067 61 I HN 0.136 nan 8.210 nan 0.000 0.413 62 N N 1.319 120.047 118.700 0.047 0.000 2.149 62 N HA -0.177 4.561 4.740 -0.002 0.000 0.188 62 N C 0.894 176.409 175.510 0.007 0.000 1.019 62 N CA 1.573 54.638 53.050 0.025 0.000 0.857 62 N CB -0.454 38.045 38.487 0.019 0.000 0.997 62 N HN 0.518 nan 8.380 nan 0.000 0.426 63 D N -0.182 120.209 120.400 -0.015 0.000 2.395 63 D HA 0.041 4.679 4.640 -0.002 0.000 0.226 63 D C -0.338 175.958 176.300 -0.007 0.000 1.146 63 D CA -0.348 53.639 54.000 -0.021 0.000 0.830 63 D CB -0.734 40.037 40.800 -0.048 0.000 0.958 63 D HN -0.090 nan 8.370 nan 0.000 0.501 64 N N 0.010 118.716 118.700 0.010 0.000 2.708 64 N HA -0.309 4.429 4.740 -0.002 0.000 0.249 64 N C 0.175 175.694 175.510 0.015 0.000 1.097 64 N CA 0.655 53.720 53.050 0.025 0.000 0.710 64 N CB -1.815 36.686 38.487 0.022 0.000 1.032 64 N HN 0.481 nan 8.380 nan 0.000 0.551 65 Y N 0.326 120.524 120.300 -0.170 0.000 2.114 65 Y HA -0.144 4.404 4.550 -0.002 0.000 0.284 65 Y C 1.901 177.731 175.900 -0.117 0.000 1.143 65 Y CA 1.858 59.840 58.100 -0.197 0.000 1.135 65 Y CB -0.376 37.793 38.460 -0.484 0.000 0.980 65 Y HN 0.096 nan 8.280 nan 0.000 0.499 66 F N -0.327 119.655 119.950 0.052 0.000 2.186 66 F HA -0.149 4.377 4.527 -0.002 0.000 0.299 66 F C 2.633 178.358 175.800 -0.125 0.000 1.090 66 F CA 1.471 59.407 58.000 -0.106 0.000 1.307 66 F CB -1.216 37.745 39.000 -0.066 0.000 1.019 66 F HN -0.048 nan 8.300 nan 0.000 0.489 67 S N -0.286 115.483 115.700 0.115 0.000 2.383 67 S HA -0.161 4.308 4.470 -0.002 0.000 0.227 67 S C 1.551 176.156 174.600 0.009 0.000 1.026 67 S CA 1.443 59.672 58.200 0.049 0.000 0.981 67 S CB -0.299 62.929 63.200 0.047 0.000 0.818 67 S HN 0.329 nan 8.310 nan 0.000 0.472 68 D N 1.006 121.414 120.400 0.013 0.000 2.194 68 D HA 0.038 4.677 4.640 -0.002 0.000 0.204 68 D C 1.775 178.086 176.300 0.019 0.000 0.964 68 D CA 0.304 54.339 54.000 0.057 0.000 0.846 68 D CB -0.293 40.577 40.800 0.117 0.000 0.962 68 D HN 0.207 nan 8.370 nan 0.000 0.490 69 L N -0.022 121.089 121.223 -0.187 0.000 2.201 69 L HA 0.082 4.421 4.340 -0.002 0.000 0.212 69 L C 1.599 178.256 176.870 -0.356 0.000 1.105 69 L CA 1.972 56.426 54.840 -0.645 0.000 0.775 69 L CB -0.293 41.321 42.059 -0.742 0.000 0.913 69 L HN 0.246 nan 8.230 nan 0.000 0.440 70 G N -1.454 107.245 108.800 -0.167 0.000 2.213 70 G HA2 -0.223 3.736 3.960 -0.002 0.000 0.226 70 G HA3 -0.223 3.736 3.960 -0.002 0.000 0.226 70 G C 0.393 175.243 174.900 -0.082 0.000 0.992 70 G CA 0.242 45.275 45.100 -0.111 0.000 0.632 70 G HN 0.809 nan 8.290 nan 0.000 0.511 71 V N 0.367 120.237 119.914 -0.073 0.000 2.763 71 V HA 0.637 4.755 4.120 -0.002 0.000 0.306 71 V C 1.149 177.215 176.094 -0.047 0.000 1.059 71 V CA 1.267 63.546 62.300 -0.035 0.000 1.138 71 V CB 1.192 33.002 31.823 -0.021 0.000 0.940 71 V HN 1.070 nan 8.190 nan 0.000 0.489 72 T N 0.063 114.590 114.554 -0.045 0.000 3.182 72 T HA 0.747 5.096 4.350 -0.002 0.000 0.277 72 T C 0.150 174.817 174.700 -0.056 0.000 1.013 72 T CA 0.298 62.359 62.100 -0.065 0.000 0.900 72 T CB -0.009 68.799 68.868 -0.100 0.000 1.098 72 T HN 1.928 nan 8.240 nan 0.000 0.543 73 A N 1.139 123.952 122.820 -0.012 0.000 2.582 73 A HA 0.659 4.978 4.320 -0.002 0.000 0.297 73 A C -1.674 175.955 177.584 0.076 0.000 1.059 73 A CA -0.934 51.144 52.037 0.067 0.000 0.705 73 A CB 0.875 20.011 19.000 0.225 0.000 1.279 73 A HN 0.367 nan 8.150 nan 0.000 0.404 74 L N 1.512 122.765 121.223 0.050 0.000 2.329 74 L HA 0.636 4.974 4.340 -0.002 0.000 0.279 74 L C -0.849 176.155 176.870 0.223 0.000 1.014 74 L CA -0.529 54.335 54.840 0.039 0.000 0.814 74 L CB 1.857 43.812 42.059 -0.173 0.000 1.257 74 L HN 0.827 nan 8.230 nan 0.000 0.424 75 W N 6.519 127.852 121.300 0.056 0.000 2.361 75 W HA 0.633 5.292 4.660 -0.003 0.000 0.314 75 W C -0.893 175.633 176.519 0.012 0.000 1.041 75 W CA -1.588 55.803 57.345 0.076 0.000 1.241 75 W CB 0.720 30.270 29.460 0.150 0.000 1.279 75 W HN 0.394 nan 8.180 nan 0.000 0.436 76 I N 2.374 123.128 120.570 0.308 0.000 2.982 76 I HA 0.662 4.831 4.170 -0.002 0.000 0.312 76 I C 0.382 176.488 176.117 -0.019 0.000 1.041 76 I CA -0.956 60.364 61.300 0.033 0.000 1.053 76 I CB 1.491 39.513 38.000 0.038 0.000 1.248 76 I HN 0.194 nan 8.210 nan 0.000 0.471 77 S N 1.194 116.752 115.700 -0.237 0.000 2.580 77 S HA 0.001 4.469 4.470 -0.002 0.000 0.266 77 S C -0.006 174.541 174.600 -0.089 0.000 1.354 77 S CA -0.439 57.551 58.200 -0.349 0.000 1.008 77 S CB 0.282 63.171 63.200 -0.517 0.000 0.898 77 S HN 0.681 nan 8.310 nan 0.000 0.555 78 Q N 2.463 122.182 119.800 -0.136 0.000 2.247 78 Q HA 0.008 4.347 4.340 -0.002 0.000 0.288 78 Q C -1.351 174.703 176.000 0.090 0.000 1.079 78 Q CA -1.338 54.441 55.803 -0.039 0.000 0.932 78 Q CB 0.566 29.233 28.738 -0.118 0.000 1.133 78 Q HN 0.375 nan 8.270 nan 0.000 0.377 79 P HA -0.091 nan 4.420 nan 0.000 0.226 79 P C 0.578 177.954 177.300 0.127 0.000 1.153 79 P CA 0.546 63.792 63.100 0.243 0.000 0.777 79 P CB -0.124 31.425 31.700 -0.251 0.000 0.794 80 V N -1.528 118.325 119.914 -0.103 0.000 3.185 80 V HA 0.211 4.330 4.120 -0.002 0.000 0.305 80 V C 0.489 176.554 176.094 -0.047 0.000 1.090 80 V CA -0.957 61.349 62.300 0.010 0.000 1.107 80 V CB -0.007 31.772 31.823 -0.074 0.000 1.061 80 V HN -0.030 nan 8.190 nan 0.000 0.480 81 E N 2.279 122.456 120.200 -0.039 0.000 2.376 81 E HA 0.147 4.495 4.350 -0.002 0.000 0.266 81 E C -0.213 176.254 176.600 -0.222 0.000 1.009 81 E CA -0.037 56.271 56.400 -0.152 0.000 0.902 81 E CB 0.288 29.898 29.700 -0.151 0.000 0.972 81 E HN 0.866 nan 8.360 nan 0.000 0.439 82 N N 3.092 121.647 118.700 -0.242 0.000 2.483 82 N HA 0.294 5.033 4.740 -0.002 0.000 0.285 82 N C -0.004 175.357 175.510 -0.248 0.000 1.210 82 N CA -0.766 52.190 53.050 -0.156 0.000 0.931 82 N CB 1.059 39.513 38.487 -0.055 0.000 1.220 82 N HN 0.463 nan 8.380 nan 0.000 0.542 83 I N -1.253 119.268 120.570 -0.082 0.000 2.872 83 I HA -0.018 4.151 4.170 -0.002 0.000 0.291 83 I C 0.207 176.313 176.117 -0.018 0.000 1.216 83 I CA 0.118 61.351 61.300 -0.112 0.000 1.424 83 I CB 0.173 38.170 38.000 -0.004 0.000 1.351 83 I HN 0.440 nan 8.210 nan 0.000 0.592 84 F N 3.543 123.525 119.950 0.053 0.000 2.619 84 F HA 0.381 4.907 4.527 -0.003 0.000 0.293 84 F C 1.835 177.671 175.800 0.059 0.000 1.119 84 F CA 0.085 58.127 58.000 0.070 0.000 1.445 84 F CB -0.800 38.210 39.000 0.018 0.000 1.119 84 F HN 0.667 nan 8.300 nan 0.000 0.573 85 A N 0.065 122.995 122.820 0.183 0.000 2.409 85 A HA 0.362 4.681 4.320 -0.002 0.000 0.246 85 A C 0.487 178.111 177.584 0.067 0.000 1.099 85 A CA 0.367 52.447 52.037 0.071 0.000 0.789 85 A CB -0.227 18.749 19.000 -0.041 0.000 1.053 85 A HN 0.149 nan 8.150 nan 0.000 0.503 86 T N 0.373 114.930 114.554 0.005 0.000 2.856 86 T HA 0.591 4.940 4.350 -0.002 0.000 0.283 86 T C -0.514 174.116 174.700 -0.116 0.000 1.008 86 T CA -0.033 62.077 62.100 0.015 0.000 0.997 86 T CB 0.464 69.353 68.868 0.035 0.000 0.992 86 T HN 0.405 nan 8.240 nan 0.000 0.454 87 I N 3.653 124.137 120.570 -0.143 0.000 2.418 87 I HA 0.365 4.534 4.170 -0.002 0.000 0.287 87 I C -0.012 175.935 176.117 -0.283 0.000 1.008 87 I CA -0.902 60.170 61.300 -0.379 0.000 1.104 87 I CB 1.559 39.142 38.000 -0.697 0.000 1.264 87 I HN 0.411 nan 8.210 nan 0.000 0.438 88 N N 6.299 124.864 118.700 -0.226 0.000 2.437 88 N HA 0.149 4.887 4.740 -0.002 0.000 0.243 88 N C -1.488 173.962 175.510 -0.099 0.000 1.041 88 N CA -0.238 52.757 53.050 -0.091 0.000 0.940 88 N CB 0.536 39.008 38.487 -0.024 0.000 1.133 88 N HN 0.338 nan 8.380 nan 0.000 0.506 89 Y N 2.386 122.744 120.300 0.098 0.000 2.594 89 Y HA 0.049 4.597 4.550 -0.003 0.000 0.342 89 Y C 0.743 176.675 175.900 0.054 0.000 1.010 89 Y CA -0.690 57.463 58.100 0.088 0.000 1.270 89 Y CB 0.101 38.614 38.460 0.089 0.000 1.125 89 Y HN 0.587 nan 8.280 nan 0.000 0.513 90 S N 1.374 117.186 115.700 0.186 0.000 3.405 90 S HA -0.192 4.277 4.470 -0.002 0.000 0.373 90 S C 1.157 175.807 174.600 0.084 0.000 0.939 90 S CA 0.845 59.108 58.200 0.106 0.000 1.295 90 S CB -1.817 61.434 63.200 0.084 0.000 0.919 90 S HN 1.878 nan 8.310 nan 0.000 0.535 91 G N -0.844 107.998 108.800 0.070 0.000 2.358 91 G HA2 -0.230 3.728 3.960 -0.002 0.000 0.224 91 G HA3 -0.230 3.728 3.960 -0.002 0.000 0.224 91 G C 0.379 175.316 174.900 0.061 0.000 1.073 91 G CA 0.067 45.199 45.100 0.054 0.000 0.635 91 G HN 2.019 nan 8.290 nan 0.000 0.509 92 V N 3.007 122.976 119.914 0.091 0.000 2.432 92 V HA 0.635 4.754 4.120 -0.002 0.000 0.275 92 V C 0.606 176.769 176.094 0.114 0.000 1.043 92 V CA 0.481 62.840 62.300 0.098 0.000 0.925 92 V CB 1.284 33.172 31.823 0.107 0.000 0.985 92 V HN 0.412 nan 8.190 nan 0.000 0.466 93 T N 7.650 122.256 114.554 0.086 0.000 2.834 93 T HA 0.246 4.594 4.350 -0.002 0.000 0.298 93 T C -0.047 174.740 174.700 0.145 0.000 0.966 93 T CA 0.147 62.298 62.100 0.085 0.000 1.141 93 T CB -0.266 68.638 68.868 0.061 0.000 0.905 93 T HN 0.777 nan 8.240 nan 0.000 0.535 94 N N 1.920 120.735 118.700 0.191 0.000 2.269 94 N HA 0.528 5.267 4.740 -0.002 0.000 0.304 94 N C -0.271 175.460 175.510 0.368 0.000 1.072 94 N CA -0.559 52.694 53.050 0.338 0.000 0.802 94 N CB 2.336 41.161 38.487 0.564 0.000 1.348 94 N HN 0.661 nan 8.380 nan 0.000 0.484 95 T N -2.715 112.064 114.554 0.376 0.000 2.907 95 T HA 0.560 4.909 4.350 -0.002 0.000 0.290 95 T C 0.398 175.117 174.700 0.031 0.000 1.066 95 T CA -0.802 61.497 62.100 0.331 0.000 1.012 95 T CB 1.688 70.736 68.868 0.300 0.000 1.184 95 T HN 0.363 nan 8.240 nan 0.000 0.522 96 A N 0.510 123.307 122.820 -0.039 0.000 2.412 96 A HA 0.266 4.585 4.320 -0.002 0.000 0.253 96 A C 1.329 178.344 177.584 -0.949 0.000 1.334 96 A CA -0.192 51.448 52.037 -0.661 0.000 0.929 96 A CB -1.607 17.384 19.000 -0.015 0.000 0.983 96 A HN 0.972 nan 8.150 nan 0.000 0.508 97 Y N 0.097 119.773 120.300 -1.040 0.000 2.298 97 Y HA -0.344 4.204 4.550 -0.003 0.000 0.287 97 Y C 1.975 177.622 175.900 -0.423 0.000 1.164 97 Y CA 1.716 59.204 58.100 -1.020 0.000 1.229 97 Y CB -1.088 36.846 38.460 -0.875 0.000 0.977 97 Y HN 0.721 nan 8.280 nan 0.000 0.538 98 H N -1.346 116.970 119.070 -1.257 0.000 2.547 98 H HA 0.270 4.825 4.556 -0.003 0.000 0.272 98 H C 1.990 176.790 175.328 -0.880 0.000 0.989 98 H CA 0.627 56.107 56.048 -0.947 0.000 1.214 98 H CB -0.321 28.961 29.762 -0.799 0.000 1.389 98 H HN 0.536 nan 8.280 nan 0.000 0.577 99 G N 0.969 109.390 108.800 -0.633 0.000 2.199 99 G HA2 -0.361 3.598 3.960 -0.002 0.000 0.254 99 G HA3 -0.361 3.598 3.960 -0.002 0.000 0.254 99 G C 0.456 175.153 174.900 -0.339 0.000 0.982 99 G CA 0.446 45.309 45.100 -0.396 0.000 0.632 99 G HN 0.493 nan 8.290 nan 0.000 0.529 100 Y N -0.751 119.574 120.300 0.042 0.000 2.583 100 Y HA 0.264 4.812 4.550 -0.003 0.000 0.293 100 Y C 1.177 177.256 175.900 0.299 0.000 1.157 100 Y CA 0.005 58.177 58.100 0.121 0.000 1.315 100 Y CB 0.119 38.619 38.460 0.066 0.000 1.021 100 Y HN 0.404 nan 8.280 nan 0.000 0.536 101 W N 1.443 122.888 121.300 0.241 0.000 1.928 101 W HA 0.660 5.319 4.660 -0.002 0.000 0.341 101 W C 0.131 176.654 176.519 0.006 0.000 0.789 101 W CA -2.044 55.391 57.345 0.149 0.000 1.680 101 W CB -0.726 28.801 29.460 0.113 0.000 1.882 101 W HN -0.187 nan 8.180 nan 0.000 0.315 102 A N 2.367 125.287 122.820 0.167 0.000 2.462 102 A HA 0.408 4.727 4.320 -0.002 0.000 0.243 102 A C 1.417 178.989 177.584 -0.021 0.000 1.076 102 A CA 0.044 51.995 52.037 -0.142 0.000 0.773 102 A CB 0.565 19.145 19.000 -0.700 0.000 1.010 102 A HN 0.675 nan 8.150 nan 0.000 0.493 103 R N 0.375 120.837 120.500 -0.065 0.000 2.383 103 R HA 0.210 4.548 4.340 -0.002 0.000 0.205 103 R C -0.757 175.679 176.300 0.227 0.000 0.875 103 R CA 0.346 56.509 56.100 0.104 0.000 1.039 103 R CB 0.616 30.945 30.300 0.047 0.000 1.267 103 R HN 0.546 nan 8.270 nan 0.000 0.635 104 D N 0.048 120.504 120.400 0.094 0.000 2.479 104 D HA 0.167 4.806 4.640 -0.002 0.000 0.246 104 D C -0.608 175.834 176.300 0.237 0.000 1.336 104 D CA -0.620 53.536 54.000 0.260 0.000 0.967 104 D CB 1.135 42.039 40.800 0.173 0.000 1.275 104 D HN 0.050 nan 8.370 nan 0.000 0.577 105 F N 1.773 121.937 119.950 0.358 0.000 2.748 105 F HA 0.107 4.633 4.527 -0.003 0.000 0.299 105 F C 2.205 178.273 175.800 0.446 0.000 1.154 105 F CA 0.303 58.535 58.000 0.387 0.000 1.446 105 F CB 0.350 39.592 39.000 0.404 0.000 1.112 105 F HN 0.137 nan 8.300 nan 0.000 0.584 106 K N 0.294 120.928 120.400 0.391 0.000 2.367 106 K HA 0.164 4.483 4.320 -0.002 0.000 0.194 106 K C 0.334 177.000 176.600 0.109 0.000 1.027 106 K CA 0.322 56.708 56.287 0.164 0.000 1.075 106 K CB 0.452 32.971 32.500 0.031 0.000 0.845 106 K HN 0.231 nan 8.250 nan 0.000 0.529 107 K N 0.914 121.444 120.400 0.217 0.000 2.340 107 K HA 0.222 4.541 4.320 -0.002 0.000 0.244 107 K C -0.140 176.637 176.600 0.294 0.000 0.973 107 K CA -0.516 55.864 56.287 0.155 0.000 0.828 107 K CB 1.905 34.453 32.500 0.079 0.000 1.226 107 K HN -0.048 nan 8.250 nan 0.000 0.437 108 T N -1.311 113.410 114.554 0.279 0.000 2.849 108 T HA 0.136 4.484 4.350 -0.002 0.000 0.284 108 T C 0.294 175.070 174.700 0.127 0.000 1.004 108 T CA -0.826 61.504 62.100 0.384 0.000 1.021 108 T CB 0.712 69.892 68.868 0.521 0.000 1.013 108 T HN 0.451 nan 8.240 nan 0.000 0.527 109 N N 2.674 121.396 118.700 0.037 0.000 2.405 109 N HA 0.141 4.879 4.740 -0.002 0.000 0.260 109 N C -1.263 174.049 175.510 -0.331 0.000 1.152 109 N CA -2.279 50.631 53.050 -0.233 0.000 0.948 109 N CB 1.109 39.321 38.487 -0.458 0.000 1.111 109 N HN 0.387 nan 8.380 nan 0.000 0.485 110 P HA -0.167 nan 4.420 nan 0.000 0.217 110 P C 0.704 177.748 177.300 -0.428 0.000 1.148 110 P CA 1.346 64.222 63.100 -0.373 0.000 0.828 110 P CB -0.002 31.442 31.700 -0.427 0.000 0.783 111 Y N -1.374 118.735 120.300 -0.319 0.000 2.333 111 Y HA -0.105 4.444 4.550 -0.003 0.000 0.290 111 Y C 2.306 178.081 175.900 -0.208 0.000 1.144 111 Y CA 0.698 58.601 58.100 -0.328 0.000 1.228 111 Y CB -1.389 36.811 38.460 -0.435 0.000 0.985 111 Y HN -0.100 nan 8.280 nan 0.000 0.542 112 F N -1.208 118.547 119.950 -0.324 0.000 2.387 112 F HA 0.438 4.964 4.527 -0.002 0.000 0.294 112 F C 1.483 176.754 175.800 -0.881 0.000 1.093 112 F CA 0.490 58.012 58.000 -0.797 0.000 1.420 112 F CB -0.513 37.625 39.000 -1.437 0.000 1.086 112 F HN -0.042 nan 8.300 nan 0.000 0.531 113 G N -0.820 107.698 108.800 -0.470 0.000 2.343 113 G HA2 0.336 4.294 3.960 -0.002 0.000 0.289 113 G HA3 0.336 4.294 3.960 -0.002 0.000 0.289 113 G C -0.642 174.342 174.900 0.139 0.000 1.295 113 G CA -0.394 44.679 45.100 -0.045 0.000 0.869 113 G HN 0.223 nan 8.290 nan 0.000 0.522 114 T N -2.130 112.608 114.554 0.307 0.000 2.888 114 T HA 0.531 4.880 4.350 -0.002 0.000 0.283 114 T C 1.631 176.602 174.700 0.451 0.000 1.013 114 T CA -0.164 62.108 62.100 0.288 0.000 0.938 114 T CB 0.952 69.929 68.868 0.183 0.000 1.298 114 T HN 0.328 nan 8.240 nan 0.000 0.580 115 M N 0.236 120.013 119.600 0.295 0.000 2.175 115 M HA 0.038 4.517 4.480 -0.002 0.000 0.264 115 M C 2.665 179.135 176.300 0.284 0.000 1.063 115 M CA 1.758 57.215 55.300 0.262 0.000 1.119 115 M CB -1.869 30.800 32.600 0.115 0.000 1.377 115 M HN 0.915 nan 8.290 nan 0.000 0.415 116 A N 0.279 123.233 122.820 0.225 0.000 1.898 116 A HA -0.167 4.152 4.320 -0.002 0.000 0.216 116 A C 1.857 179.573 177.584 0.221 0.000 1.181 116 A CA 1.753 53.899 52.037 0.182 0.000 0.620 116 A CB -0.650 18.430 19.000 0.135 0.000 0.819 116 A HN 0.381 nan 8.150 nan 0.000 0.442 117 D N -0.987 119.598 120.400 0.308 0.000 2.104 117 D HA -0.151 4.488 4.640 -0.002 0.000 0.194 117 D C 1.638 178.139 176.300 0.336 0.000 0.994 117 D CA 1.273 55.489 54.000 0.360 0.000 0.830 117 D CB -0.458 40.647 40.800 0.510 0.000 0.959 117 D HN 0.438 nan 8.370 nan 0.000 0.452 118 F N 1.648 121.738 119.950 0.233 0.000 2.069 118 F HA -0.214 4.311 4.527 -0.002 0.000 0.298 118 F C 2.551 178.300 175.800 -0.085 0.000 1.113 118 F CA 1.644 59.556 58.000 -0.148 0.000 1.214 118 F CB -0.262 38.648 39.000 -0.150 0.000 0.978 118 F HN -0.087 nan 8.300 nan 0.000 0.474 119 Q N -0.166 119.726 119.800 0.153 0.000 2.096 119 Q HA -0.289 4.050 4.340 -0.002 0.000 0.204 119 Q C 2.161 178.126 176.000 -0.059 0.000 0.982 119 Q CA 1.818 57.646 55.803 0.040 0.000 0.850 119 Q CB -0.618 28.185 28.738 0.108 0.000 0.901 119 Q HN 0.608 nan 8.270 nan 0.000 0.422 120 N N 0.242 118.938 118.700 -0.006 0.000 2.223 120 N HA -0.158 4.581 4.740 -0.002 0.000 0.185 120 N C 1.836 177.296 175.510 -0.083 0.000 1.016 120 N CA 0.301 53.345 53.050 -0.010 0.000 0.863 120 N CB 0.059 38.577 38.487 0.052 0.000 0.983 120 N HN 0.237 nan 8.380 nan 0.000 0.429 121 L N 1.026 122.138 121.223 -0.186 0.000 2.044 121 L HA -0.119 4.219 4.340 -0.002 0.000 0.205 121 L C 2.079 178.725 176.870 -0.374 0.000 1.075 121 L CA 0.983 55.655 54.840 -0.281 0.000 0.747 121 L CB -0.451 41.324 42.059 -0.473 0.000 0.903 121 L HN 0.201 nan 8.230 nan 0.000 0.435 122 I N 0.138 120.409 120.570 -0.499 0.000 2.127 122 I HA -0.298 3.871 4.170 -0.002 0.000 0.241 122 I C 2.551 178.418 176.117 -0.416 0.000 1.075 122 I CA 1.766 62.748 61.300 -0.528 0.000 1.334 122 I CB -1.733 36.047 38.000 -0.367 0.000 1.040 122 I HN 0.283 nan 8.210 nan 0.000 0.405 123 T N 0.732 115.179 114.554 -0.178 0.000 2.652 123 T HA -0.170 4.178 4.350 -0.002 0.000 0.267 123 T C 1.901 176.571 174.700 -0.051 0.000 1.039 123 T CA 2.301 64.373 62.100 -0.048 0.000 1.153 123 T CB -0.526 68.335 68.868 -0.011 0.000 0.863 123 T HN 0.364 nan 8.240 nan 0.000 0.428 124 T N 1.942 116.453 114.554 -0.071 0.000 2.759 124 T HA -0.044 4.304 4.350 -0.002 0.000 0.269 124 T C 2.343 177.015 174.700 -0.046 0.000 1.042 124 T CA 1.149 63.227 62.100 -0.037 0.000 1.140 124 T CB -0.537 68.319 68.868 -0.020 0.000 0.864 124 T HN 0.444 nan 8.240 nan 0.000 0.455 125 A N 1.315 124.056 122.820 -0.131 0.000 1.855 125 A HA -0.142 4.176 4.320 -0.002 0.000 0.215 125 A C 1.920 179.477 177.584 -0.046 0.000 1.191 125 A CA 1.681 53.637 52.037 -0.135 0.000 0.613 125 A CB -1.070 17.765 19.000 -0.275 0.000 0.829 125 A HN 0.683 nan 8.150 nan 0.000 0.442 126 H N -0.619 118.425 119.070 -0.043 0.000 2.422 126 H HA -0.049 4.506 4.556 -0.002 0.000 0.298 126 H C 2.405 177.716 175.328 -0.028 0.000 1.098 126 H CA 0.733 56.759 56.048 -0.037 0.000 1.315 126 H CB 0.006 29.747 29.762 -0.034 0.000 1.382 126 H HN 0.567 nan 8.280 nan 0.000 0.523 127 A N 0.918 123.796 122.820 0.097 0.000 1.933 127 A HA -0.155 4.164 4.320 -0.002 0.000 0.218 127 A C 1.971 179.577 177.584 0.036 0.000 1.175 127 A CA 1.463 53.532 52.037 0.052 0.000 0.628 127 A CB -0.078 18.943 19.000 0.035 0.000 0.814 127 A HN 0.125 nan 8.150 nan 0.000 0.444 128 K N -1.229 119.192 120.400 0.034 0.000 2.417 128 K HA 0.285 4.603 4.320 -0.002 0.000 0.196 128 K C 0.823 177.434 176.600 0.020 0.000 1.023 128 K CA 0.664 56.968 56.287 0.028 0.000 1.122 128 K CB -0.108 32.416 32.500 0.041 0.000 0.850 128 K HN 0.692 nan 8.250 nan 0.000 0.521 129 G N 1.037 109.852 108.800 0.025 0.000 2.160 129 G HA2 -0.252 3.706 3.960 -0.002 0.000 0.244 129 G HA3 -0.252 3.706 3.960 -0.002 0.000 0.244 129 G C -0.138 174.760 174.900 -0.003 0.000 1.022 129 G CA 0.064 45.168 45.100 0.006 0.000 0.741 129 G HN 0.261 nan 8.290 nan 0.000 0.508 130 I N 0.466 121.046 120.570 0.016 0.000 2.378 130 I HA 0.342 4.510 4.170 -0.002 0.000 0.291 130 I C 0.671 176.804 176.117 0.027 0.000 0.992 130 I CA -0.878 60.413 61.300 -0.014 0.000 1.154 130 I CB 1.405 39.375 38.000 -0.049 0.000 1.315 130 I HN -0.022 nan 8.210 nan 0.000 0.448 131 K N 5.810 126.225 120.400 0.025 0.000 2.126 131 K HA 0.532 4.851 4.320 -0.002 0.000 0.257 131 K C -0.735 175.931 176.600 0.110 0.000 1.007 131 K CA -0.668 55.685 56.287 0.111 0.000 0.928 131 K CB 1.345 33.864 32.500 0.031 0.000 1.013 131 K HN 0.335 nan 8.250 nan 0.000 0.473 132 I N 2.324 122.975 120.570 0.135 0.000 2.406 132 I HA 0.240 4.409 4.170 -0.002 0.000 0.290 132 I C -0.418 175.815 176.117 0.193 0.000 0.999 132 I CA -0.776 60.568 61.300 0.075 0.000 1.124 132 I CB 1.549 39.480 38.000 -0.113 0.000 1.289 132 I HN 0.272 nan 8.210 nan 0.000 0.441 133 V N 7.099 127.136 119.914 0.205 0.000 2.555 133 V HA 0.552 4.670 4.120 -0.002 0.000 0.302 133 V C 0.052 176.241 176.094 0.159 0.000 1.038 133 V CA -0.712 61.688 62.300 0.167 0.000 0.887 133 V CB 2.431 34.337 31.823 0.138 0.000 0.991 133 V HN 0.613 nan 8.190 nan 0.000 0.434 134 I N -0.217 120.411 120.570 0.097 0.000 2.603 134 I HA 0.705 4.874 4.170 -0.002 0.000 0.300 134 I C -0.582 175.596 176.117 0.102 0.000 1.017 134 I CA -0.677 60.702 61.300 0.133 0.000 1.098 134 I CB 1.873 39.933 38.000 0.100 0.000 1.279 134 I HN 0.342 nan 8.210 nan 0.000 0.437 135 D N 3.743 124.265 120.400 0.204 0.000 2.304 135 D HA 0.428 5.066 4.640 -0.002 0.000 0.250 135 D C -1.545 174.914 176.300 0.264 0.000 1.107 135 D CA 0.504 54.645 54.000 0.235 0.000 0.885 135 D CB 1.005 41.955 40.800 0.250 0.000 1.192 135 D HN 0.469 nan 8.370 nan 0.000 0.436 136 F N 1.627 121.630 119.950 0.088 0.000 2.585 136 F HA 0.520 5.046 4.527 -0.002 0.000 0.319 136 F C -1.000 174.906 175.800 0.176 0.000 1.165 136 F CA -0.874 57.214 58.000 0.148 0.000 0.949 136 F CB 1.594 40.698 39.000 0.172 0.000 1.218 136 F HN 0.305 nan 8.300 nan 0.000 0.453 137 A N 7.581 130.355 122.820 -0.076 0.000 2.644 137 A HA 0.533 4.851 4.320 -0.002 0.000 0.343 137 A C -2.410 175.081 177.584 -0.154 0.000 1.324 137 A CA -1.215 50.794 52.037 -0.047 0.000 0.846 137 A CB 0.035 19.062 19.000 0.045 0.000 1.128 137 A HN 0.461 nan 8.150 nan 0.000 0.484 138 P HA 0.017 nan 4.420 nan 0.000 0.257 138 P C 0.511 177.533 177.300 -0.463 0.000 1.325 138 P CA 0.348 62.901 63.100 -0.913 0.000 0.850 138 P CB 0.203 31.073 31.700 -1.384 0.000 1.324 139 N N 0.854 119.420 118.700 -0.223 0.000 2.376 139 N HA -0.085 4.653 4.740 -0.002 0.000 0.177 139 N C 0.787 176.404 175.510 0.180 0.000 1.024 139 N CA 0.530 53.579 53.050 -0.002 0.000 0.893 139 N CB 0.023 38.510 38.487 -0.000 0.000 0.980 139 N HN 0.290 nan 8.380 nan 0.000 0.439 140 H N -4.793 114.458 119.070 0.300 0.000 2.905 140 H HA 0.274 4.828 4.556 -0.002 0.000 0.280 140 H C -0.247 175.211 175.328 0.217 0.000 1.445 140 H CA -0.147 55.937 56.048 0.060 0.000 1.165 140 H CB 0.713 30.458 29.762 -0.029 0.000 1.857 140 H HN 0.044 nan 8.280 nan 0.000 0.567 141 T N -0.667 113.999 114.554 0.187 0.000 3.274 141 T HA 0.353 4.702 4.350 -0.002 0.000 0.186 141 T C 0.608 175.452 174.700 0.240 0.000 0.799 141 T CA 0.631 62.884 62.100 0.255 0.000 1.611 141 T CB -0.486 68.415 68.868 0.056 0.000 2.155 141 T HN 0.782 nan 8.240 nan 0.000 0.427 142 S N 1.106 116.781 115.700 -0.040 0.000 2.704 142 S HA 0.724 5.192 4.470 -0.002 0.000 0.296 142 S C -3.276 171.080 174.600 -0.407 0.000 1.138 142 S CA -1.717 56.352 58.200 -0.219 0.000 0.875 142 S CB 1.258 64.338 63.200 -0.199 0.000 1.151 142 S HN 0.296 nan 8.310 nan 0.000 0.500 143 P HA 0.470 nan 4.420 nan 0.000 0.268 143 P C -1.107 176.059 177.300 -0.224 0.000 1.204 143 P CA 0.194 63.076 63.100 -0.363 0.000 0.768 143 P CB 0.465 31.940 31.700 -0.375 0.000 0.842 144 A N 3.573 126.299 122.820 -0.157 0.000 2.594 144 A HA 0.764 5.083 4.320 -0.002 0.000 0.295 144 A C -1.168 176.364 177.584 -0.086 0.000 1.071 144 A CA -0.625 51.357 52.037 -0.093 0.000 0.685 144 A CB 1.242 20.016 19.000 -0.377 0.000 1.285 144 A HN 0.418 nan 8.150 nan 0.000 0.405 145 M N 1.380 121.009 119.600 0.048 0.000 2.243 145 M HA 0.277 4.755 4.480 -0.002 0.000 0.324 145 M C 0.895 177.264 176.300 0.115 0.000 1.031 145 M CA -0.358 54.922 55.300 -0.033 0.000 0.949 145 M CB 1.993 34.478 32.600 -0.191 0.000 1.615 145 M HN 1.056 nan 8.290 nan 0.000 0.430 146 E N 1.067 121.389 120.200 0.202 0.000 2.077 146 E HA -0.189 4.160 4.350 -0.002 0.000 0.193 146 E C 1.563 178.204 176.600 0.068 0.000 0.989 146 E CA 2.453 58.974 56.400 0.202 0.000 0.800 146 E CB 0.347 30.144 29.700 0.162 0.000 0.746 146 E HN 0.879 nan 8.360 nan 0.000 0.452 147 T N -1.864 112.706 114.554 0.028 0.000 2.812 147 T HA -0.141 4.207 4.350 -0.002 0.000 0.264 147 T C 0.825 175.527 174.700 0.003 0.000 1.042 147 T CA 1.080 63.180 62.100 -0.001 0.000 1.140 147 T CB -0.127 68.728 68.868 -0.021 0.000 0.870 147 T HN 0.028 nan 8.240 nan 0.000 0.445 148 D N 2.057 122.459 120.400 0.003 0.000 2.473 148 D HA 0.297 4.935 4.640 -0.002 0.000 0.226 148 D C 1.324 177.664 176.300 0.067 0.000 1.089 148 D CA -0.125 53.888 54.000 0.021 0.000 0.883 148 D CB 1.264 42.063 40.800 -0.001 0.000 1.029 148 D HN 0.294 nan 8.370 nan 0.000 0.517 149 T N -0.346 114.242 114.554 0.056 0.000 3.051 149 T HA -0.167 4.182 4.350 -0.002 0.000 0.269 149 T C 1.701 176.441 174.700 0.065 0.000 1.127 149 T CA 0.989 63.126 62.100 0.063 0.000 1.107 149 T CB -0.273 68.621 68.868 0.043 0.000 0.898 149 T HN 0.278 nan 8.240 nan 0.000 0.517 150 S N 0.086 115.827 115.700 0.070 0.000 2.603 150 S HA 0.190 4.658 4.470 -0.002 0.000 0.220 150 S C 0.203 174.853 174.600 0.084 0.000 0.967 150 S CA -0.847 57.388 58.200 0.059 0.000 0.920 150 S CB -0.868 62.360 63.200 0.046 0.000 0.773 150 S HN 0.493 nan 8.310 nan 0.000 0.529 151 F N 3.289 123.203 119.950 -0.059 0.000 2.445 151 F HA 0.594 5.119 4.527 -0.002 0.000 0.359 151 F C 0.940 176.670 175.800 -0.116 0.000 1.101 151 F CA -0.324 57.619 58.000 -0.095 0.000 1.177 151 F CB 0.310 39.249 39.000 -0.103 0.000 1.110 151 F HN 0.443 nan 8.300 nan 0.000 0.522 152 A N 4.880 127.306 122.820 -0.657 0.000 5.395 152 A HA -0.346 3.972 4.320 -0.002 0.000 0.324 152 A C 0.860 178.295 177.584 -0.248 0.000 1.813 152 A CA 1.639 53.341 52.037 -0.559 0.000 0.714 152 A CB -1.433 17.076 19.000 -0.819 0.000 1.374 152 A HN 0.805 nan 8.150 nan 0.000 0.390 153 E N 1.054 121.134 120.200 -0.201 0.000 2.736 153 E HA 0.261 4.609 4.350 -0.002 0.000 0.208 153 E C 0.285 176.849 176.600 -0.060 0.000 0.996 153 E CA 0.298 56.652 56.400 -0.078 0.000 1.104 153 E CB -0.075 29.608 29.700 -0.030 0.000 1.111 153 E HN 0.661 nan 8.360 nan 0.000 0.455 154 N N 1.134 119.796 118.700 -0.064 0.000 2.701 154 N HA -0.265 4.474 4.740 -0.002 0.000 0.250 154 N C 0.786 176.236 175.510 -0.101 0.000 1.046 154 N CA 0.539 53.574 53.050 -0.025 0.000 0.733 154 N CB -0.808 37.697 38.487 0.029 0.000 0.973 154 N HN 0.639 nan 8.380 nan 0.000 0.541 155 G N 0.031 108.714 108.800 -0.194 0.000 2.212 155 G HA2 -0.375 3.584 3.960 -0.002 0.000 0.267 155 G HA3 -0.375 3.584 3.960 -0.002 0.000 0.267 155 G C 0.292 175.090 174.900 -0.170 0.000 1.002 155 G CA 0.837 45.764 45.100 -0.288 0.000 0.729 155 G HN 0.680 nan 8.290 nan 0.000 0.517 156 R N -0.893 119.576 120.500 -0.053 0.000 2.583 156 R HA 0.310 4.649 4.340 -0.002 0.000 0.274 156 R C 0.341 176.640 176.300 -0.001 0.000 0.998 156 R CA -0.006 56.079 56.100 -0.025 0.000 1.081 156 R CB 0.398 30.664 30.300 -0.057 0.000 0.940 156 R HN 0.345 nan 8.270 nan 0.000 0.413 157 L N 3.685 124.868 121.223 -0.066 0.000 2.334 157 L HA 0.431 4.769 4.340 -0.002 0.000 0.276 157 L C -1.531 175.142 176.870 -0.329 0.000 1.014 157 L CA -0.438 54.389 54.840 -0.021 0.000 0.815 157 L CB 1.183 43.283 42.059 0.068 0.000 1.268 157 L HN 0.404 nan 8.230 nan 0.000 0.428 158 Y N 1.889 122.236 120.300 0.078 0.000 2.485 158 Y HA 0.449 4.998 4.550 -0.002 0.000 0.345 158 Y C -0.614 175.405 175.900 0.198 0.000 0.998 158 Y CA -0.744 57.409 58.100 0.088 0.000 1.059 158 Y CB 1.738 40.241 38.460 0.071 0.000 1.234 158 Y HN 0.531 nan 8.280 nan 0.000 0.461 159 D N 2.888 123.481 120.400 0.322 0.000 2.477 159 D HA 0.111 4.750 4.640 -0.002 0.000 0.239 159 D C -0.305 176.121 176.300 0.210 0.000 1.102 159 D CA -0.285 53.923 54.000 0.346 0.000 0.901 159 D CB -0.125 40.831 40.800 0.258 0.000 1.026 159 D HN 0.624 nan 8.370 nan 0.000 0.515 160 N N 3.337 122.149 118.700 0.187 0.000 2.688 160 N HA -0.257 4.481 4.740 -0.002 0.000 0.258 160 N C 0.992 176.563 175.510 0.101 0.000 1.016 160 N CA 1.916 55.029 53.050 0.106 0.000 0.747 160 N CB -1.039 37.475 38.487 0.045 0.000 0.895 160 N HN 0.788 nan 8.380 nan 0.000 0.543 161 G N -1.839 107.039 108.800 0.130 0.000 2.527 161 G HA2 -0.286 3.672 3.960 -0.002 0.000 0.218 161 G HA3 -0.286 3.672 3.960 -0.002 0.000 0.218 161 G C 0.307 175.349 174.900 0.237 0.000 1.177 161 G CA 0.327 45.487 45.100 0.099 0.000 0.695 161 G HN 0.771 nan 8.290 nan 0.000 0.517 162 T N 2.877 117.556 114.554 0.208 0.000 2.834 162 T HA 0.461 4.810 4.350 -0.002 0.000 0.298 162 T C 0.314 175.134 174.700 0.200 0.000 0.966 162 T CA 0.097 62.310 62.100 0.187 0.000 1.141 162 T CB 1.719 70.651 68.868 0.106 0.000 0.905 162 T HN 0.751 nan 8.240 nan 0.000 0.535 163 L N 5.588 126.890 121.223 0.132 0.000 2.462 163 L HA 0.168 4.507 4.340 -0.002 0.000 0.272 163 L C 0.879 177.662 176.870 -0.144 0.000 1.166 163 L CA 0.516 55.261 54.840 -0.158 0.000 0.880 163 L CB 0.452 42.436 42.059 -0.124 0.000 1.142 163 L HN 0.542 nan 8.230 nan 0.000 0.473 164 V N 4.018 123.780 119.914 -0.253 0.000 2.521 164 V HA 0.558 4.677 4.120 -0.002 0.000 0.239 164 V C 0.970 176.969 176.094 -0.159 0.000 1.053 164 V CA 0.777 62.928 62.300 -0.249 0.000 1.073 164 V CB -0.225 31.331 31.823 -0.445 0.000 0.746 164 V HN 1.017 nan 8.190 nan 0.000 0.476 165 G N -1.481 107.234 108.800 -0.141 0.000 2.384 165 G HA2 0.502 4.460 3.960 -0.002 0.000 0.300 165 G HA3 0.502 4.460 3.960 -0.002 0.000 0.300 165 G C -0.656 174.353 174.900 0.181 0.000 1.582 165 G CA -0.121 45.029 45.100 0.083 0.000 0.875 165 G HN 0.475 nan 8.290 nan 0.000 0.628 166 G N -1.136 107.779 108.800 0.192 0.000 2.613 166 G HA2 0.482 4.441 3.960 -0.002 0.000 0.303 166 G HA3 0.482 4.441 3.960 -0.002 0.000 0.303 166 G C 0.458 175.512 174.900 0.256 0.000 1.312 166 G CA -0.306 44.895 45.100 0.169 0.000 1.036 166 G HN 0.639 nan 8.290 nan 0.000 0.513 167 Y N 0.037 120.266 120.300 -0.120 0.000 2.220 167 Y HA 0.089 4.638 4.550 -0.002 0.000 0.291 167 Y C 1.988 177.945 175.900 0.095 0.000 1.129 167 Y CA 1.272 59.274 58.100 -0.164 0.000 1.161 167 Y CB -0.226 38.020 38.460 -0.357 0.000 0.997 167 Y HN 0.331 nan 8.280 nan 0.000 0.522 168 T N 2.269 116.871 114.554 0.079 0.000 2.913 168 T HA 0.065 4.414 4.350 -0.002 0.000 0.297 168 T C -0.196 174.495 174.700 -0.015 0.000 1.029 168 T CA -0.104 61.994 62.100 -0.002 0.000 1.104 168 T CB 0.254 69.138 68.868 0.026 0.000 0.964 168 T HN 0.327 nan 8.240 nan 0.000 0.532 169 N N 1.637 120.293 118.700 -0.074 0.000 2.714 169 N HA -0.156 4.583 4.740 -0.002 0.000 0.253 169 N C -0.777 174.701 175.510 -0.054 0.000 1.024 169 N CA 0.548 53.554 53.050 -0.073 0.000 0.726 169 N CB -0.975 37.491 38.487 -0.035 0.000 0.908 169 N HN 0.727 nan 8.380 nan 0.000 0.542 170 D N -0.174 120.170 120.400 -0.093 0.000 2.639 170 D HA 0.196 4.835 4.640 -0.002 0.000 0.233 170 D C 1.462 177.670 176.300 -0.154 0.000 1.161 170 D CA 0.115 54.100 54.000 -0.024 0.000 1.003 170 D CB 0.131 41.041 40.800 0.185 0.000 1.034 170 D HN 0.345 nan 8.370 nan 0.000 0.514 171 T N -0.271 114.192 114.554 -0.151 0.000 2.788 171 T HA -0.183 4.166 4.350 -0.002 0.000 0.268 171 T C 1.387 175.951 174.700 -0.228 0.000 1.044 171 T CA 0.748 62.746 62.100 -0.171 0.000 1.139 171 T CB -0.138 68.656 68.868 -0.124 0.000 0.867 171 T HN 0.244 nan 8.240 nan 0.000 0.454 172 N N 1.741 120.230 118.700 -0.351 0.000 2.550 172 N HA 0.092 4.830 4.740 -0.002 0.000 0.186 172 N C 1.525 176.713 175.510 -0.537 0.000 1.110 172 N CA 0.811 53.533 53.050 -0.546 0.000 0.912 172 N CB -0.288 37.557 38.487 -1.071 0.000 0.968 172 N HN 0.744 nan 8.380 nan 0.000 0.448 173 G N 1.056 109.647 108.800 -0.348 0.000 2.221 173 G HA2 -0.310 3.648 3.960 -0.002 0.000 0.265 173 G HA3 -0.310 3.648 3.960 -0.002 0.000 0.265 173 G C 0.357 175.155 174.900 -0.170 0.000 1.041 173 G CA 0.196 45.198 45.100 -0.163 0.000 0.807 173 G HN 0.328 nan 8.290 nan 0.000 0.502 174 Y N -1.159 119.049 120.300 -0.154 0.000 2.333 174 Y HA 0.285 4.834 4.550 -0.002 0.000 0.290 174 Y C 1.547 177.075 175.900 -0.620 0.000 1.144 174 Y CA 0.792 58.640 58.100 -0.420 0.000 1.228 174 Y CB -0.214 37.876 38.460 -0.617 0.000 0.985 174 Y HN 0.376 nan 8.280 nan 0.000 0.542 175 F N -2.322 117.659 119.950 0.052 0.000 2.598 175 F HA 0.414 4.940 4.527 -0.003 0.000 0.327 175 F C 0.057 175.707 175.800 -0.251 0.000 1.057 175 F CA -1.762 56.139 58.000 -0.164 0.000 0.957 175 F CB 0.785 39.704 39.000 -0.134 0.000 1.278 175 F HN -0.248 nan 8.300 nan 0.000 0.484 176 H N 0.432 119.522 119.070 0.032 0.000 2.525 176 H HA 0.281 4.835 4.556 -0.003 0.000 0.339 176 H C -0.487 174.689 175.328 -0.255 0.000 1.109 176 H CA -0.292 55.738 56.048 -0.030 0.000 1.352 176 H CB 0.660 30.447 29.762 0.042 0.000 1.461 176 H HN 0.482 nan 8.280 nan 0.000 0.533 177 H N 2.747 121.910 119.070 0.155 0.000 2.591 177 H HA 0.118 4.673 4.556 -0.002 0.000 0.241 177 H C -0.297 175.042 175.328 0.018 0.000 1.292 177 H CA -0.132 55.940 56.048 0.040 0.000 1.022 177 H CB -0.037 29.658 29.762 -0.111 0.000 1.875 177 H HN 0.723 nan 8.280 nan 0.000 0.570 178 N N 0.675 119.424 118.700 0.081 0.000 2.321 178 N HA 0.261 5.000 4.740 -0.002 0.000 0.242 178 N C 0.893 176.395 175.510 -0.014 0.000 1.141 178 N CA 0.166 53.217 53.050 0.002 0.000 0.864 178 N CB 1.469 39.920 38.487 -0.061 0.000 1.100 178 N HN 0.517 nan 8.380 nan 0.000 0.510 179 G N 0.114 108.924 108.800 0.017 0.000 2.693 179 G HA2 -0.134 3.825 3.960 -0.002 0.000 0.226 179 G HA3 -0.134 3.825 3.960 -0.002 0.000 0.226 179 G C -0.139 174.731 174.900 -0.050 0.000 1.354 179 G CA -0.597 44.495 45.100 -0.012 0.000 0.873 179 G HN 0.371 nan 8.290 nan 0.000 0.562 180 G N -0.863 107.888 108.800 -0.083 0.000 2.379 180 G HA2 0.685 4.644 3.960 -0.002 0.000 0.327 180 G HA3 0.685 4.644 3.960 -0.002 0.000 0.327 180 G C 0.282 175.058 174.900 -0.207 0.000 1.145 180 G CA 1.201 46.217 45.100 -0.139 0.000 0.905 180 G HN 1.731 nan 8.290 nan 0.000 0.466 181 S N -0.117 115.370 115.700 -0.356 0.000 2.568 181 S HA 0.095 4.564 4.470 -0.002 0.000 0.282 181 S C 0.924 175.208 174.600 -0.525 0.000 1.338 181 S CA 0.379 58.268 58.200 -0.518 0.000 1.045 181 S CB 0.701 63.390 63.200 -0.851 0.000 0.873 181 S HN 0.679 nan 8.310 nan 0.000 0.516 182 D N 1.883 122.079 120.400 -0.341 0.000 2.431 182 D HA 0.154 4.792 4.640 -0.002 0.000 0.213 182 D C 0.237 176.572 176.300 0.058 0.000 1.130 182 D CA -0.336 53.610 54.000 -0.091 0.000 0.834 182 D CB -0.679 40.103 40.800 -0.031 0.000 0.985 182 D HN 0.507 nan 8.370 nan 0.000 0.504 183 F N 0.361 120.281 119.950 -0.050 0.000 3.069 183 F HA -0.311 4.215 4.527 -0.002 0.000 0.285 183 F C 1.737 177.523 175.800 -0.023 0.000 0.827 183 F CA 0.788 58.764 58.000 -0.040 0.000 1.108 183 F CB -2.529 36.447 39.000 -0.040 0.000 1.252 183 F HN 0.217 nan 8.300 nan 0.000 0.483 184 S N -1.546 114.195 115.700 0.068 0.000 2.522 184 S HA 0.261 4.730 4.470 -0.002 0.000 0.227 184 S C 0.721 175.345 174.600 0.040 0.000 0.986 184 S CA 0.566 58.798 58.200 0.053 0.000 0.929 184 S CB 0.187 63.398 63.200 0.019 0.000 0.769 184 S HN 0.820 nan 8.310 nan 0.000 0.529 185 S N -0.765 114.947 115.700 0.019 0.000 2.567 185 S HA 0.524 4.992 4.470 -0.002 0.000 0.270 185 S C 0.054 174.647 174.600 -0.011 0.000 1.152 185 S CA -0.679 57.533 58.200 0.020 0.000 0.835 185 S CB 0.914 64.117 63.200 0.004 0.000 1.115 185 S HN 0.098 nan 8.310 nan 0.000 0.459 186 L N 1.554 122.795 121.223 0.031 0.000 2.013 186 L HA -0.066 4.272 4.340 -0.002 0.000 0.212 186 L C 2.541 179.315 176.870 -0.160 0.000 1.073 186 L CA 2.642 57.484 54.840 0.003 0.000 0.753 186 L CB -0.646 41.522 42.059 0.182 0.000 0.890 186 L HN 1.019 nan 8.230 nan 0.000 0.432 187 E N -0.828 119.199 120.200 -0.288 0.000 2.072 187 E HA -0.295 4.053 4.350 -0.002 0.000 0.191 187 E C 2.028 178.460 176.600 -0.279 0.000 0.985 187 E CA 1.376 57.404 56.400 -0.620 0.000 0.801 187 E CB -0.208 28.989 29.700 -0.839 0.000 0.750 187 E HN 0.708 nan 8.360 nan 0.000 0.452 188 N N -0.647 117.939 118.700 -0.190 0.000 2.223 188 N HA -0.105 4.633 4.740 -0.002 0.000 0.185 188 N C 1.751 177.132 175.510 -0.214 0.000 1.016 188 N CA 1.401 54.354 53.050 -0.161 0.000 0.863 188 N CB -0.198 38.207 38.487 -0.136 0.000 0.983 188 N HN 0.163 nan 8.380 nan 0.000 0.429 189 G N -0.728 107.945 108.800 -0.212 0.000 2.813 189 G HA2 0.047 4.006 3.960 -0.002 0.000 0.209 189 G HA3 0.047 4.006 3.960 -0.002 0.000 0.209 189 G C 1.248 176.067 174.900 -0.136 0.000 1.150 189 G CA 0.136 45.127 45.100 -0.182 0.000 0.785 189 G HN 0.329 nan 8.290 nan 0.000 0.535 190 I N -1.494 118.898 120.570 -0.297 0.000 3.172 190 I HA 0.144 4.312 4.170 -0.002 0.000 0.278 190 I C 1.130 176.908 176.117 -0.565 0.000 1.174 190 I CA 0.339 61.360 61.300 -0.466 0.000 1.445 190 I CB 0.382 37.953 38.000 -0.715 0.000 1.175 190 I HN 0.068 nan 8.210 nan 0.000 0.447 191 Y N 1.264 121.465 120.300 -0.165 0.000 2.524 191 Y HA 0.333 4.881 4.550 -0.002 0.000 0.266 191 Y C 0.564 176.294 175.900 -0.284 0.000 1.180 191 Y CA -0.286 57.625 58.100 -0.314 0.000 1.244 191 Y CB 0.002 38.237 38.460 -0.375 0.000 1.125 191 Y HN -0.099 nan 8.280 nan 0.000 0.524 192 K N 0.016 120.361 120.400 -0.091 0.000 2.395 192 K HA 0.333 4.651 4.320 -0.002 0.000 0.245 192 K C -0.762 175.762 176.600 -0.126 0.000 1.017 192 K CA -1.279 54.946 56.287 -0.103 0.000 0.852 192 K CB 1.088 33.490 32.500 -0.163 0.000 1.311 192 K HN -0.134 nan 8.250 nan 0.000 0.452 193 N N 1.493 120.109 118.700 -0.140 0.000 2.518 193 N HA 0.060 4.798 4.740 -0.002 0.000 0.266 193 N C -0.488 174.836 175.510 -0.309 0.000 1.196 193 N CA -0.004 52.933 53.050 -0.189 0.000 0.947 193 N CB 0.438 38.815 38.487 -0.183 0.000 1.098 193 N HN 0.402 nan 8.380 nan 0.000 0.450 194 L N 4.894 125.912 121.223 -0.341 0.000 2.334 194 L HA 0.069 4.408 4.340 -0.002 0.000 0.286 194 L C -0.242 176.392 176.870 -0.393 0.000 1.108 194 L CA -0.016 54.508 54.840 -0.527 0.000 0.875 194 L CB -0.646 41.100 42.059 -0.522 0.000 1.246 194 L HN 0.543 nan 8.230 nan 0.000 0.439 195 Y N 1.397 121.616 120.300 -0.135 0.000 2.887 195 Y HA -0.402 4.147 4.550 -0.003 0.000 0.467 195 Y C 1.271 177.078 175.900 -0.156 0.000 1.192 195 Y CA 0.968 59.004 58.100 -0.108 0.000 2.535 195 Y CB -1.151 37.246 38.460 -0.106 0.000 1.225 195 Y HN 0.788 nan 8.280 nan 0.000 0.630 196 D N 0.938 121.368 120.400 0.051 0.000 2.462 196 D HA 0.260 4.898 4.640 -0.002 0.000 0.221 196 D C -0.221 175.954 176.300 -0.209 0.000 1.173 196 D CA 0.086 54.037 54.000 -0.082 0.000 0.831 196 D CB -0.595 40.200 40.800 -0.009 0.000 1.001 196 D HN 0.397 nan 8.370 nan 0.000 0.499 197 L N 1.359 122.439 121.223 -0.240 0.000 2.361 197 L HA 0.403 4.742 4.340 -0.002 0.000 0.278 197 L C 0.709 177.323 176.870 -0.426 0.000 1.113 197 L CA -0.869 53.753 54.840 -0.363 0.000 0.849 197 L CB 0.892 42.652 42.059 -0.497 0.000 1.155 197 L HN 0.033 nan 8.230 nan 0.000 0.452 198 A N 3.026 125.489 122.820 -0.596 0.000 2.553 198 A HA -0.026 4.292 4.320 -0.002 0.000 0.258 198 A C -0.036 177.306 177.584 -0.402 0.000 1.069 198 A CA -0.079 51.462 52.037 -0.827 0.000 0.767 198 A CB -0.297 17.968 19.000 -1.225 0.000 0.997 198 A HN 0.731 nan 8.150 nan 0.000 0.512 199 D N 2.201 122.487 120.400 -0.190 0.000 2.295 199 D HA 0.439 5.077 4.640 -0.002 0.000 0.248 199 D C -0.438 175.859 176.300 -0.006 0.000 1.154 199 D CA 0.016 54.001 54.000 -0.025 0.000 0.857 199 D CB 0.118 40.962 40.800 0.072 0.000 1.117 199 D HN 0.316 nan 8.370 nan 0.000 0.468 200 F N 2.696 122.610 119.950 -0.059 0.000 2.529 200 F HA 0.112 4.637 4.527 -0.002 0.000 0.365 200 F C 1.165 176.453 175.800 -0.854 0.000 1.102 200 F CA -0.245 57.484 58.000 -0.453 0.000 1.271 200 F CB 0.287 38.848 39.000 -0.732 0.000 1.120 200 F HN 0.306 nan 8.300 nan 0.000 0.579 201 N N 2.278 120.631 118.700 -0.577 0.000 2.558 201 N HA 0.116 4.854 4.740 -0.002 0.000 0.233 201 N C 0.146 175.411 175.510 -0.409 0.000 1.038 201 N CA -0.246 52.425 53.050 -0.632 0.000 0.934 201 N CB -0.043 38.226 38.487 -0.363 0.000 1.175 201 N HN 0.468 nan 8.380 nan 0.000 0.512 202 H N 0.876 119.761 119.070 -0.308 0.000 2.563 202 H HA 0.038 4.592 4.556 -0.002 0.000 0.272 202 H C 1.384 176.612 175.328 -0.168 0.000 1.005 202 H CA 0.467 56.223 56.048 -0.486 0.000 1.171 202 H CB 0.136 29.143 29.762 -1.259 0.000 1.351 202 H HN 0.606 nan 8.280 nan 0.000 0.602 203 N N 0.949 119.692 118.700 0.072 0.000 2.515 203 N HA -0.112 4.627 4.740 -0.002 0.000 0.185 203 N C -0.070 175.499 175.510 0.099 0.000 1.109 203 N CA -0.029 53.107 53.050 0.144 0.000 0.903 203 N CB 0.082 38.671 38.487 0.171 0.000 0.969 203 N HN 0.324 nan 8.380 nan 0.000 0.450 204 N N 0.156 118.882 118.700 0.043 0.000 2.411 204 N HA 0.187 4.925 4.740 -0.002 0.000 0.259 204 N C 0.972 176.532 175.510 0.082 0.000 1.103 204 N CA -0.122 52.957 53.050 0.048 0.000 0.954 204 N CB 1.202 39.709 38.487 0.033 0.000 1.085 204 N HN 0.085 nan 8.380 nan 0.000 0.485 205 A N 2.832 125.713 122.820 0.102 0.000 1.958 205 A HA -0.215 4.103 4.320 -0.002 0.000 0.221 205 A C 2.018 179.667 177.584 0.108 0.000 1.178 205 A CA 2.105 54.213 52.037 0.119 0.000 0.642 205 A CB -0.948 18.114 19.000 0.105 0.000 0.816 205 A HN 0.754 nan 8.150 nan 0.000 0.453 206 T N 0.309 114.921 114.554 0.097 0.000 2.708 206 T HA -0.110 4.239 4.350 -0.002 0.000 0.266 206 T C 1.779 176.469 174.700 -0.016 0.000 1.037 206 T CA 1.447 63.583 62.100 0.060 0.000 1.146 206 T CB -0.273 68.659 68.868 0.107 0.000 0.865 206 T HN 0.335 nan 8.240 nan 0.000 0.435 207 I N 1.696 122.226 120.570 -0.067 0.000 2.226 207 I HA -0.112 4.057 4.170 -0.002 0.000 0.245 207 I C 2.374 178.516 176.117 0.042 0.000 1.100 207 I CA 1.298 62.477 61.300 -0.203 0.000 1.374 207 I CB -1.292 36.523 38.000 -0.308 0.000 1.057 207 I HN 0.260 nan 8.210 nan 0.000 0.413 208 D N 0.951 121.455 120.400 0.174 0.000 2.092 208 D HA -0.250 4.389 4.640 -0.002 0.000 0.193 208 D C 2.303 178.817 176.300 0.356 0.000 0.994 208 D CA 1.594 55.845 54.000 0.418 0.000 0.828 208 D CB 0.028 41.067 40.800 0.398 0.000 0.963 208 D HN 0.145 nan 8.370 nan 0.000 0.450 209 K N -1.305 119.223 120.400 0.213 0.000 2.057 209 K HA -0.207 4.111 4.320 -0.002 0.000 0.207 209 K C 2.209 178.887 176.600 0.129 0.000 1.049 209 K CA 0.970 57.351 56.287 0.157 0.000 0.931 209 K CB -0.367 32.193 32.500 0.100 0.000 0.714 209 K HN 0.260 nan 8.250 nan 0.000 0.440 210 Y N 0.326 120.577 120.300 -0.081 0.000 2.128 210 Y HA -0.260 4.289 4.550 -0.002 0.000 0.284 210 Y C 1.695 177.461 175.900 -0.224 0.000 1.154 210 Y CA 1.876 59.832 58.100 -0.240 0.000 1.149 210 Y CB -0.326 37.834 38.460 -0.499 0.000 0.976 210 Y HN 0.004 nan 8.280 nan 0.000 0.505 211 F N 0.487 120.563 119.950 0.211 0.000 2.259 211 F HA -0.089 4.437 4.527 -0.003 0.000 0.298 211 F C 2.177 178.225 175.800 0.413 0.000 1.088 211 F CA 1.415 59.543 58.000 0.213 0.000 1.358 211 F CB -0.384 38.664 39.000 0.080 0.000 1.040 211 F HN -0.009 nan 8.300 nan 0.000 0.505 212 K N -0.128 120.583 120.400 0.518 0.000 2.031 212 K HA -0.128 4.191 4.320 -0.002 0.000 0.205 212 K C 1.641 178.342 176.600 0.167 0.000 1.049 212 K CA 1.461 57.987 56.287 0.398 0.000 0.939 212 K CB -0.300 32.345 32.500 0.242 0.000 0.717 212 K HN 0.100 nan 8.250 nan 0.000 0.438 213 D N 1.108 121.547 120.400 0.065 0.000 2.092 213 D HA -0.147 4.491 4.640 -0.002 0.000 0.193 213 D C 1.929 178.199 176.300 -0.050 0.000 0.994 213 D CA 1.526 55.495 54.000 -0.050 0.000 0.828 213 D CB -0.364 40.370 40.800 -0.110 0.000 0.963 213 D HN 0.174 nan 8.370 nan 0.000 0.450 214 A N 0.685 123.464 122.820 -0.067 0.000 1.917 214 A HA -0.207 4.112 4.320 -0.002 0.000 0.219 214 A C 2.260 180.039 177.584 0.324 0.000 1.182 214 A CA 1.333 53.411 52.037 0.068 0.000 0.633 214 A CB -0.749 18.274 19.000 0.038 0.000 0.819 214 A HN 0.249 nan 8.150 nan 0.000 0.448 215 I N -0.408 120.364 120.570 0.336 0.000 2.315 215 I HA -0.163 4.006 4.170 -0.002 0.000 0.248 215 I C 2.141 178.313 176.117 0.092 0.000 1.117 215 I CA 1.552 62.962 61.300 0.183 0.000 1.404 215 I CB -0.306 37.748 38.000 0.090 0.000 1.071 215 I HN 0.248 nan 8.210 nan 0.000 0.419 216 K N -0.017 120.386 120.400 0.005 0.000 2.063 216 K HA -0.214 4.105 4.320 -0.002 0.000 0.208 216 K C 2.173 178.763 176.600 -0.016 0.000 1.048 216 K CA 1.695 57.934 56.287 -0.080 0.000 0.928 216 K CB -0.456 31.874 32.500 -0.283 0.000 0.713 216 K HN 0.393 nan 8.250 nan 0.000 0.442 217 L N -0.184 120.994 121.223 -0.075 0.000 1.971 217 L HA -0.239 4.100 4.340 -0.002 0.000 0.215 217 L C 2.070 178.806 176.870 -0.224 0.000 1.072 217 L CA 1.847 56.556 54.840 -0.218 0.000 0.758 217 L CB -0.289 41.527 42.059 -0.404 0.000 0.889 217 L HN 0.346 nan 8.230 nan 0.000 0.433 218 W N -0.299 121.016 121.300 0.026 0.000 2.388 218 W HA -0.129 4.529 4.660 -0.003 0.000 0.294 218 W C 2.404 178.972 176.519 0.082 0.000 1.212 218 W CA 0.388 57.756 57.345 0.039 0.000 1.271 218 W CB -0.460 29.012 29.460 0.021 0.000 1.126 218 W HN 0.091 nan 8.180 nan 0.000 0.535 219 L N 0.016 121.383 121.223 0.240 0.000 2.046 219 L HA -0.220 4.118 4.340 -0.002 0.000 0.208 219 L C 1.794 178.767 176.870 0.171 0.000 1.077 219 L CA 1.220 56.172 54.840 0.187 0.000 0.747 219 L CB -0.819 41.339 42.059 0.166 0.000 0.896 219 L HN -0.094 nan 8.230 nan 0.000 0.432 220 D N -0.398 120.095 120.400 0.155 0.000 2.351 220 D HA -0.120 4.518 4.640 -0.002 0.000 0.216 220 D C 2.060 178.421 176.300 0.103 0.000 0.968 220 D CA 0.975 55.045 54.000 0.117 0.000 0.899 220 D CB 0.076 40.927 40.800 0.085 0.000 0.907 220 D HN 0.333 nan 8.370 nan 0.000 0.514 221 M N -1.284 118.405 119.600 0.147 0.000 2.495 221 M HA 0.170 4.649 4.480 -0.002 0.000 0.237 221 M C 1.048 177.483 176.300 0.226 0.000 1.131 221 M CA 0.436 55.855 55.300 0.197 0.000 1.032 221 M CB 0.809 33.591 32.600 0.303 0.000 1.513 221 M HN 0.095 nan 8.290 nan 0.000 0.488 222 G N 1.456 110.384 108.800 0.213 0.000 2.144 222 G HA2 -0.186 3.773 3.960 -0.002 0.000 0.218 222 G HA3 -0.186 3.773 3.960 -0.002 0.000 0.218 222 G C 0.107 175.170 174.900 0.271 0.000 0.988 222 G CA 0.088 45.325 45.100 0.228 0.000 0.659 222 G HN 0.451 nan 8.290 nan 0.000 0.522 223 V N -1.852 118.225 119.914 0.270 0.000 2.999 223 V HA 0.493 4.612 4.120 -0.002 0.000 0.307 223 V C 0.877 177.117 176.094 0.244 0.000 1.084 223 V CA 0.837 63.290 62.300 0.255 0.000 1.155 223 V CB 1.216 33.206 31.823 0.279 0.000 0.975 223 V HN 0.184 nan 8.190 nan 0.000 0.490 224 D N 2.420 122.989 120.400 0.282 0.000 2.407 224 D HA 0.324 4.963 4.640 -0.002 0.000 0.208 224 D C 0.682 177.225 176.300 0.405 0.000 1.083 224 D CA 1.110 55.317 54.000 0.345 0.000 0.844 224 D CB 1.328 42.363 40.800 0.392 0.000 0.967 224 D HN 0.935 nan 8.370 nan 0.000 0.506 225 G N 0.610 109.562 108.800 0.253 0.000 2.646 225 G HA2 0.581 4.540 3.960 -0.002 0.000 0.291 225 G HA3 0.581 4.540 3.960 -0.002 0.000 0.291 225 G C -1.661 173.227 174.900 -0.020 0.000 1.445 225 G CA -0.666 44.477 45.100 0.073 0.000 0.814 225 G HN -0.008 nan 8.290 nan 0.000 0.495 226 I N 0.651 121.139 120.570 -0.136 0.000 2.533 226 I HA 0.484 4.652 4.170 -0.002 0.000 0.290 226 I C -0.441 175.392 176.117 -0.472 0.000 1.056 226 I CA -1.031 60.148 61.300 -0.201 0.000 1.057 226 I CB 2.413 40.314 38.000 -0.165 0.000 1.240 226 I HN 0.225 nan 8.210 nan 0.000 0.423 227 R N 5.919 126.065 120.500 -0.591 0.000 2.247 227 R HA 0.427 4.765 4.340 -0.002 0.000 0.329 227 R C -1.358 174.713 176.300 -0.381 0.000 1.014 227 R CA -0.602 54.865 56.100 -1.055 0.000 0.907 227 R CB 0.989 30.524 30.300 -1.275 0.000 1.146 227 R HN 0.456 nan 8.270 nan 0.000 0.499 228 V N 4.287 124.042 119.914 -0.264 0.000 2.508 228 V HA 0.031 4.149 4.120 -0.002 0.000 0.281 228 V C 0.612 176.729 176.094 0.038 0.000 1.041 228 V CA -0.429 61.892 62.300 0.035 0.000 1.016 228 V CB 1.160 33.081 31.823 0.164 0.000 0.984 228 V HN 0.625 nan 8.190 nan 0.000 0.478 229 D N 3.979 124.436 120.400 0.094 0.000 2.256 229 D HA 0.512 5.151 4.640 -0.002 0.000 0.250 229 D C 0.656 176.983 176.300 0.045 0.000 1.093 229 D CA 0.485 54.538 54.000 0.089 0.000 0.882 229 D CB 0.966 41.837 40.800 0.119 0.000 1.185 229 D HN 1.085 nan 8.370 nan 0.000 0.437 230 A N 2.613 125.465 122.820 0.054 0.000 2.687 230 A HA -0.183 4.136 4.320 -0.002 0.000 0.299 230 A C 1.491 179.053 177.584 -0.037 0.000 1.497 230 A CA 0.914 52.994 52.037 0.071 0.000 0.751 230 A CB -2.393 16.680 19.000 0.123 0.000 1.048 230 A HN 1.077 nan 8.150 nan 0.000 0.464 231 V N -1.498 118.345 119.914 -0.119 0.000 2.594 231 V HA -0.180 3.939 4.120 -0.002 0.000 0.253 231 V C 1.961 177.743 176.094 -0.520 0.000 1.069 231 V CA 2.533 64.697 62.300 -0.226 0.000 1.082 231 V CB -0.645 31.033 31.823 -0.242 0.000 0.680 231 V HN 0.770 nan 8.190 nan 0.000 0.469 232 K N -0.626 119.272 120.400 -0.837 0.000 2.555 232 K HA -0.088 4.230 4.320 -0.002 0.000 0.193 232 K C 1.299 177.230 176.600 -1.115 0.000 1.032 232 K CA 0.935 56.354 56.287 -1.447 0.000 1.004 232 K CB -0.165 31.098 32.500 -2.061 0.000 0.804 232 K HN 0.729 nan 8.250 nan 0.000 0.496 233 H N -0.589 118.258 119.070 -0.372 0.000 2.581 233 H HA 0.263 4.817 4.556 -0.002 0.000 0.275 233 H C -0.189 175.015 175.328 -0.206 0.000 1.126 233 H CA -0.055 55.833 56.048 -0.266 0.000 1.097 233 H CB 0.317 29.959 29.762 -0.200 0.000 1.626 233 H HN 0.137 nan 8.280 nan 0.000 0.565 234 M N 0.810 120.331 119.600 -0.131 0.000 2.572 234 M HA 0.377 4.856 4.480 -0.002 0.000 0.299 234 M C -2.694 173.599 176.300 -0.011 0.000 1.205 234 M CA -1.847 53.407 55.300 -0.076 0.000 0.876 234 M CB 2.946 35.511 32.600 -0.059 0.000 1.728 234 M HN -0.201 nan 8.290 nan 0.000 0.458 235 P HA 0.100 nan 4.420 nan 0.000 0.271 235 P C 0.380 177.846 177.300 0.276 0.000 1.216 235 P CA -0.174 63.019 63.100 0.155 0.000 0.771 235 P CB 0.661 32.492 31.700 0.218 0.000 0.864 236 L N 3.345 124.757 121.223 0.315 0.000 2.012 236 L HA -0.161 4.177 4.340 -0.002 0.000 0.210 236 L C 2.194 179.196 176.870 0.220 0.000 1.073 236 L CA 2.342 57.400 54.840 0.364 0.000 0.748 236 L CB -1.074 41.204 42.059 0.365 0.000 0.891 236 L HN 0.545 nan 8.230 nan 0.000 0.431 237 G N -0.534 108.383 108.800 0.194 0.000 2.491 237 G HA2 -0.394 3.564 3.960 -0.002 0.000 0.218 237 G HA3 -0.394 3.564 3.960 -0.002 0.000 0.218 237 G C 1.168 176.172 174.900 0.174 0.000 1.180 237 G CA 0.965 46.168 45.100 0.171 0.000 0.774 237 G HN 0.673 nan 8.290 nan 0.000 0.562 238 W N 1.325 122.678 121.300 0.089 0.000 2.333 238 W HA -0.137 4.522 4.660 -0.002 0.000 0.316 238 W C 2.956 179.519 176.519 0.074 0.000 1.215 238 W CA 2.016 59.400 57.345 0.065 0.000 1.278 238 W CB -0.429 29.022 29.460 -0.015 0.000 1.154 238 W HN 0.322 nan 8.180 nan 0.000 0.486 239 Q N 0.142 119.992 119.800 0.083 0.000 2.096 239 Q HA -0.329 4.009 4.340 -0.002 0.000 0.208 239 Q C 2.311 178.240 176.000 -0.119 0.000 0.993 239 Q CA 2.415 58.199 55.803 -0.033 0.000 0.862 239 Q CB -0.532 28.365 28.738 0.265 0.000 0.915 239 Q HN 0.368 nan 8.270 nan 0.000 0.416 240 K N 0.070 120.420 120.400 -0.083 0.000 2.026 240 K HA -0.186 4.133 4.320 -0.002 0.000 0.208 240 K C 2.319 178.829 176.600 -0.150 0.000 1.048 240 K CA 1.557 57.779 56.287 -0.110 0.000 0.929 240 K CB -0.255 32.209 32.500 -0.059 0.000 0.713 240 K HN 0.071 nan 8.250 nan 0.000 0.439 241 S N 0.158 115.763 115.700 -0.158 0.000 2.353 241 S HA -0.212 4.256 4.470 -0.002 0.000 0.222 241 S C 1.706 176.161 174.600 -0.242 0.000 1.035 241 S CA 1.555 59.657 58.200 -0.163 0.000 1.025 241 S CB -0.610 62.509 63.200 -0.136 0.000 0.902 241 S HN 0.604 nan 8.310 nan 0.000 0.440 242 W N 1.823 122.713 121.300 -0.683 0.000 2.318 242 W HA -0.158 4.501 4.660 -0.002 0.000 0.313 242 W C 2.144 178.382 176.519 -0.470 0.000 1.221 242 W CA 1.998 58.920 57.345 -0.704 0.000 1.266 242 W CB -0.602 28.129 29.460 -1.216 0.000 1.150 242 W HN 0.258 nan 8.180 nan 0.000 0.496 243 M N 0.582 119.896 119.600 -0.477 0.000 2.108 243 M HA -0.202 4.276 4.480 -0.002 0.000 0.261 243 M C 2.359 178.262 176.300 -0.661 0.000 1.066 243 M CA 2.322 57.198 55.300 -0.706 0.000 1.107 243 M CB -2.175 30.130 32.600 -0.492 0.000 1.356 243 M HN 0.286 nan 8.290 nan 0.000 0.406 244 S N -0.348 115.152 115.700 -0.332 0.000 2.447 244 S HA -0.092 4.376 4.470 -0.002 0.000 0.233 244 S C 1.997 176.503 174.600 -0.158 0.000 1.006 244 S CA 1.448 59.556 58.200 -0.155 0.000 0.957 244 S CB -0.711 62.453 63.200 -0.059 0.000 0.773 244 S HN 0.581 nan 8.310 nan 0.000 0.507 245 S N 1.681 117.236 115.700 -0.241 0.000 2.414 245 S HA 0.127 4.595 4.470 -0.002 0.000 0.227 245 S C 1.820 176.291 174.600 -0.216 0.000 1.022 245 S CA 0.518 58.610 58.200 -0.179 0.000 0.958 245 S CB -0.757 62.347 63.200 -0.159 0.000 0.797 245 S HN 0.571 nan 8.310 nan 0.000 0.493 246 I N 0.073 120.382 120.570 -0.436 0.000 2.202 246 I HA -0.109 4.059 4.170 -0.002 0.000 0.242 246 I C 2.160 178.179 176.117 -0.163 0.000 1.091 246 I CA 1.283 62.330 61.300 -0.421 0.000 1.368 246 I CB -0.471 37.060 38.000 -0.782 0.000 1.058 246 I HN 0.240 nan 8.210 nan 0.000 0.410 247 Y N 0.848 121.061 120.300 -0.145 0.000 2.352 247 Y HA -0.075 4.474 4.550 -0.002 0.000 0.292 247 Y C 2.553 178.428 175.900 -0.041 0.000 1.136 247 Y CA 0.506 58.557 58.100 -0.080 0.000 1.227 247 Y CB -1.067 37.346 38.460 -0.078 0.000 0.991 247 Y HN 0.124 nan 8.280 nan 0.000 0.545 248 A N -1.536 121.349 122.820 0.107 0.000 2.119 248 A HA -0.108 4.211 4.320 -0.002 0.000 0.216 248 A C 2.050 179.691 177.584 0.095 0.000 1.152 248 A CA 1.212 53.296 52.037 0.078 0.000 0.708 248 A CB -0.611 18.416 19.000 0.046 0.000 0.805 248 A HN 0.574 nan 8.150 nan 0.000 0.460 249 H N -0.766 118.297 119.070 -0.013 0.000 2.332 249 H HA 0.303 4.857 4.556 -0.002 0.000 0.316 249 H C -0.363 174.966 175.328 0.002 0.000 1.069 249 H CA 0.687 56.724 56.048 -0.017 0.000 1.484 249 H CB 0.363 30.097 29.762 -0.046 0.000 1.496 249 H HN 0.244 nan 8.280 nan 0.000 0.623 250 K N 1.994 122.325 120.400 -0.114 0.000 2.764 250 K HA 0.253 4.572 4.320 -0.002 0.000 0.239 250 K C -2.854 173.769 176.600 0.038 0.000 1.048 250 K CA -1.784 54.430 56.287 -0.122 0.000 1.057 250 K CB 2.695 35.094 32.500 -0.170 0.000 1.251 250 K HN 0.259 nan 8.250 nan 0.000 0.524 251 P HA -0.015 nan 4.420 nan 0.000 0.267 251 P C -0.360 177.054 177.300 0.190 0.000 1.209 251 P CA -0.153 63.080 63.100 0.222 0.000 0.763 251 P CB 0.861 32.630 31.700 0.116 0.000 0.816 252 V N 1.544 121.607 119.914 0.248 0.000 2.925 252 V HA 0.488 4.607 4.120 -0.002 0.000 0.311 252 V C -0.370 175.903 176.094 0.299 0.000 1.104 252 V CA -1.466 60.980 62.300 0.243 0.000 0.954 252 V CB 1.745 33.669 31.823 0.167 0.000 1.022 252 V HN 0.294 nan 8.190 nan 0.000 0.427 253 F N 2.792 122.856 119.950 0.190 0.000 2.602 253 F HA 0.514 5.040 4.527 -0.002 0.000 0.385 253 F C 0.456 176.289 175.800 0.056 0.000 1.063 253 F CA 0.963 59.030 58.000 0.111 0.000 1.233 253 F CB 0.155 39.155 39.000 0.000 0.000 1.067 253 F HN 0.793 nan 8.300 nan 0.000 0.564 254 T N 8.301 122.569 114.554 -0.476 0.000 2.881 254 T HA 0.599 4.947 4.350 -0.002 0.000 0.290 254 T C -1.183 173.289 174.700 -0.380 0.000 1.000 254 T CA -0.302 61.581 62.100 -0.362 0.000 0.978 254 T CB 0.970 69.724 68.868 -0.190 0.000 0.997 254 T HN 0.419 nan 8.240 nan 0.000 0.443 255 F N -0.149 119.488 119.950 -0.522 0.000 2.613 255 F HA 0.944 5.470 4.527 -0.002 0.000 0.310 255 F C -0.120 175.612 175.800 -0.112 0.000 1.085 255 F CA -1.427 56.377 58.000 -0.326 0.000 0.945 255 F CB 1.000 39.755 39.000 -0.410 0.000 1.298 255 F HN 0.727 nan 8.300 nan 0.000 0.455 256 G N -0.304 108.547 108.800 0.084 0.000 2.685 256 G HA2 0.719 4.677 3.960 -0.002 0.000 0.298 256 G HA3 0.719 4.677 3.960 -0.002 0.000 0.298 256 G C -1.911 173.107 174.900 0.197 0.000 1.277 256 G CA -0.871 44.272 45.100 0.071 0.000 0.986 256 G HN 1.103 nan 8.290 nan 0.000 0.487 257 A N 0.112 123.049 122.820 0.196 0.000 2.273 257 A HA 0.544 4.863 4.320 -0.002 0.000 0.320 257 A C -1.179 176.595 177.584 0.316 0.000 1.358 257 A CA -0.549 51.701 52.037 0.355 0.000 0.910 257 A CB 0.278 19.483 19.000 0.342 0.000 1.159 257 A HN 0.636 nan 8.150 nan 0.000 0.526 258 W N 5.529 126.960 121.300 0.219 0.000 2.394 258 W HA 0.390 5.049 4.660 -0.002 0.000 0.312 258 W C -1.433 175.111 176.519 0.042 0.000 0.981 258 W CA -2.004 55.377 57.345 0.060 0.000 1.519 258 W CB 0.671 30.126 29.460 -0.008 0.000 1.304 258 W HN 0.591 nan 8.180 nan 0.000 0.412 259 F N 5.861 125.739 119.950 -0.119 0.000 2.607 259 F HA 0.280 4.805 4.527 -0.002 0.000 0.374 259 F C -0.593 175.074 175.800 -0.223 0.000 1.104 259 F CA 0.903 58.554 58.000 -0.581 0.000 1.296 259 F CB 0.582 39.288 39.000 -0.490 0.000 1.085 259 F HN 0.185 nan 8.300 nan 0.000 0.584 260 L N 4.781 125.243 121.223 -1.268 0.000 2.393 260 L HA 0.385 4.723 4.340 -0.002 0.000 0.260 260 L C 0.790 177.143 176.870 -0.861 0.000 1.002 260 L CA -0.505 53.979 54.840 -0.593 0.000 0.818 260 L CB 2.141 44.132 42.059 -0.115 0.000 1.369 260 L HN 0.743 nan 8.230 nan 0.000 0.412 261 G N -0.169 108.439 108.800 -0.319 0.000 2.719 261 G HA2 0.124 4.082 3.960 -0.002 0.000 0.211 261 G HA3 0.124 4.082 3.960 -0.002 0.000 0.211 261 G C 0.398 175.270 174.900 -0.046 0.000 1.140 261 G CA 0.730 45.742 45.100 -0.146 0.000 0.790 261 G HN 0.574 nan 8.290 nan 0.000 0.529 262 S N -1.799 113.885 115.700 -0.027 0.000 2.851 262 S HA 0.665 5.134 4.470 -0.002 0.000 0.313 262 S C 0.760 175.371 174.600 0.019 0.000 1.163 262 S CA 0.152 58.355 58.200 0.004 0.000 0.850 262 S CB 1.399 64.603 63.200 0.006 0.000 1.245 262 S HN 0.468 nan 8.310 nan 0.000 0.558 263 A N -0.318 122.510 122.820 0.013 0.000 2.251 263 A HA 0.679 4.998 4.320 -0.002 0.000 0.209 263 A C 1.095 178.690 177.584 0.018 0.000 1.187 263 A CA 0.339 52.389 52.037 0.021 0.000 0.823 263 A CB -1.247 17.749 19.000 -0.007 0.000 0.846 263 A HN 1.339 nan 8.150 nan 0.000 0.486 264 A N 0.191 123.018 122.820 0.010 0.000 2.462 264 A HA 0.485 4.804 4.320 -0.002 0.000 0.243 264 A C 0.700 178.283 177.584 -0.001 0.000 1.076 264 A CA -0.098 51.941 52.037 0.002 0.000 0.773 264 A CB -0.029 18.974 19.000 0.004 0.000 1.010 264 A HN 0.299 nan 8.150 nan 0.000 0.493 265 S N 0.573 116.259 115.700 -0.023 0.000 2.552 265 S HA 0.185 4.653 4.470 -0.002 0.000 0.289 265 S C -0.117 174.463 174.600 -0.032 0.000 1.304 265 S CA 0.369 58.537 58.200 -0.053 0.000 1.063 265 S CB 0.242 63.398 63.200 -0.073 0.000 0.848 265 S HN 0.738 nan 8.310 nan 0.000 0.499 266 D N 1.086 121.458 120.400 -0.047 0.000 2.549 266 D HA 0.589 5.227 4.640 -0.002 0.000 0.251 266 D C 0.632 176.895 176.300 -0.061 0.000 1.153 266 D CA -0.423 53.562 54.000 -0.025 0.000 0.861 266 D CB 0.988 41.785 40.800 -0.004 0.000 1.207 266 D HN 0.388 nan 8.370 nan 0.000 0.543 267 A N 3.751 126.559 122.820 -0.020 0.000 1.873 267 A HA -0.246 4.073 4.320 -0.002 0.000 0.218 267 A C 1.703 179.270 177.584 -0.029 0.000 1.193 267 A CA 1.770 53.798 52.037 -0.015 0.000 0.629 267 A CB -0.476 18.541 19.000 0.027 0.000 0.826 267 A HN 0.733 nan 8.150 nan 0.000 0.447 268 D N -0.353 120.046 120.400 -0.001 0.000 2.123 268 D HA -0.182 4.457 4.640 -0.002 0.000 0.196 268 D C 1.890 177.945 176.300 -0.409 0.000 0.992 268 D CA 1.380 55.376 54.000 -0.007 0.000 0.833 268 D CB -0.543 40.419 40.800 0.270 0.000 0.954 268 D HN 0.641 nan 8.370 nan 0.000 0.455 269 N N 0.816 119.082 118.700 -0.724 0.000 2.084 269 N HA -0.141 4.597 4.740 -0.002 0.000 0.190 269 N C 1.517 176.849 175.510 -0.297 0.000 1.030 269 N CA 1.643 54.041 53.050 -1.088 0.000 0.849 269 N CB -0.088 37.877 38.487 -0.870 0.000 1.012 269 N HN 0.030 nan 8.380 nan 0.000 0.423 270 T N 0.884 115.370 114.554 -0.114 0.000 2.708 270 T HA -0.119 4.229 4.350 -0.002 0.000 0.266 270 T C 1.247 175.990 174.700 0.072 0.000 1.037 270 T CA 1.533 63.652 62.100 0.031 0.000 1.146 270 T CB -0.535 68.263 68.868 -0.117 0.000 0.865 270 T HN 0.264 nan 8.240 nan 0.000 0.435 271 D N 0.167 120.577 120.400 0.018 0.000 2.116 271 D HA -0.077 4.562 4.640 -0.002 0.000 0.193 271 D C 1.612 177.968 176.300 0.093 0.000 0.998 271 D CA 0.827 54.862 54.000 0.058 0.000 0.836 271 D CB -0.351 40.495 40.800 0.076 0.000 0.951 271 D HN 0.299 nan 8.370 nan 0.000 0.449 272 F N 1.059 120.979 119.950 -0.049 0.000 2.069 272 F HA -0.193 4.332 4.527 -0.002 0.000 0.298 272 F C 2.227 178.065 175.800 0.063 0.000 1.113 272 F CA 1.805 59.826 58.000 0.035 0.000 1.214 272 F CB -0.482 38.529 39.000 0.018 0.000 0.978 272 F HN -0.031 nan 8.300 nan 0.000 0.474 273 A N 0.131 123.096 122.820 0.241 0.000 1.978 273 A HA -0.233 4.085 4.320 -0.002 0.000 0.220 273 A C 1.920 179.550 177.584 0.076 0.000 1.170 273 A CA 2.097 54.230 52.037 0.160 0.000 0.636 273 A CB -0.790 18.304 19.000 0.157 0.000 0.810 273 A HN 0.562 nan 8.150 nan 0.000 0.448 274 N N -0.854 117.896 118.700 0.084 0.000 2.409 274 N HA 0.017 4.756 4.740 -0.002 0.000 0.174 274 N C 1.241 176.744 175.510 -0.011 0.000 1.037 274 N CA 1.056 54.138 53.050 0.053 0.000 0.898 274 N CB 0.029 38.559 38.487 0.072 0.000 1.010 274 N HN 0.596 nan 8.380 nan 0.000 0.445 275 K N -0.170 120.197 120.400 -0.056 0.000 2.391 275 K HA 0.164 4.482 4.320 -0.002 0.000 0.197 275 K C 1.782 178.284 176.600 -0.162 0.000 1.087 275 K CA 0.155 56.395 56.287 -0.078 0.000 1.012 275 K CB 0.505 32.987 32.500 -0.030 0.000 0.925 275 K HN 0.036 nan 8.250 nan 0.000 0.547 276 S N 0.108 115.600 115.700 -0.347 0.000 2.428 276 S HA 0.021 4.489 4.470 -0.002 0.000 0.230 276 S C 1.676 176.124 174.600 -0.253 0.000 1.014 276 S CA 0.946 58.854 58.200 -0.486 0.000 0.957 276 S CB -0.074 62.340 63.200 -1.311 0.000 0.784 276 S HN 0.407 nan 8.310 nan 0.000 0.499 277 G N 1.157 109.867 108.800 -0.150 0.000 2.195 277 G HA2 -0.202 3.757 3.960 -0.002 0.000 0.224 277 G HA3 -0.202 3.757 3.960 -0.002 0.000 0.224 277 G C -0.062 174.880 174.900 0.070 0.000 0.990 277 G CA 0.128 45.227 45.100 -0.002 0.000 0.639 277 G HN 0.925 nan 8.290 nan 0.000 0.514 278 M N -0.046 119.542 119.600 -0.020 0.000 2.727 278 M HA 0.861 5.339 4.480 -0.002 0.000 0.300 278 M C 0.276 176.614 176.300 0.064 0.000 1.246 278 M CA -0.250 55.074 55.300 0.039 0.000 0.835 278 M CB 1.966 34.600 32.600 0.057 0.000 1.755 278 M HN 0.526 nan 8.290 nan 0.000 0.473 279 S N 0.597 116.338 115.700 0.070 0.000 2.748 279 S HA 0.899 5.368 4.470 -0.002 0.000 0.299 279 S C -0.747 173.961 174.600 0.181 0.000 1.119 279 S CA -0.734 57.521 58.200 0.093 0.000 0.997 279 S CB 1.272 64.521 63.200 0.082 0.000 1.223 279 S HN 0.605 nan 8.310 nan 0.000 0.541 280 L N -0.129 121.173 121.223 0.132 0.000 2.350 280 L HA 0.529 4.868 4.340 -0.002 0.000 0.260 280 L C -0.746 176.259 176.870 0.226 0.000 1.015 280 L CA -0.718 54.258 54.840 0.227 0.000 0.821 280 L CB 1.479 43.658 42.059 0.200 0.000 1.370 280 L HN 0.726 nan 8.230 nan 0.000 0.416 281 L N 1.936 123.374 121.223 0.359 0.000 2.462 281 L HA 0.102 4.440 4.340 -0.002 0.000 0.272 281 L C 0.082 177.100 176.870 0.247 0.000 1.166 281 L CA -0.038 55.014 54.840 0.353 0.000 0.880 281 L CB 0.229 42.498 42.059 0.350 0.000 1.142 281 L HN 0.525 nan 8.230 nan 0.000 0.473 282 D N 3.413 123.884 120.400 0.118 0.000 2.508 282 D HA 0.017 4.655 4.640 -0.002 0.000 0.224 282 D C 0.871 177.139 176.300 -0.054 0.000 1.171 282 D CA 0.053 54.073 54.000 0.034 0.000 1.006 282 D CB 0.217 40.988 40.800 -0.048 0.000 1.073 282 D HN 0.274 nan 8.370 nan 0.000 0.513 283 F N 1.537 121.588 119.950 0.167 0.000 2.293 283 F HA -0.062 4.463 4.527 -0.002 0.000 0.300 283 F C 2.385 178.202 175.800 0.028 0.000 1.086 283 F CA 0.661 58.710 58.000 0.083 0.000 1.375 283 F CB 0.081 39.106 39.000 0.042 0.000 1.045 283 F HN 0.225 nan 8.300 nan 0.000 0.516 284 R N -0.585 120.056 120.500 0.236 0.000 2.066 284 R HA -0.189 4.150 4.340 -0.002 0.000 0.232 284 R C 2.237 178.611 176.300 0.123 0.000 1.131 284 R CA 1.727 57.924 56.100 0.161 0.000 0.955 284 R CB -1.302 29.105 30.300 0.178 0.000 0.851 284 R HN 0.296 nan 8.270 nan 0.000 0.432 285 F N 3.012 122.967 119.950 0.008 0.000 2.095 285 F HA -0.270 4.256 4.527 -0.003 0.000 0.298 285 F C 2.307 178.063 175.800 -0.074 0.000 1.104 285 F CA 1.722 59.712 58.000 -0.016 0.000 1.232 285 F CB -0.501 38.471 39.000 -0.046 0.000 0.987 285 F HN 0.050 nan 8.300 nan 0.000 0.475 286 N N -0.038 118.650 118.700 -0.020 0.000 2.043 286 N HA -0.217 4.522 4.740 -0.002 0.000 0.193 286 N C 1.896 177.388 175.510 -0.030 0.000 1.037 286 N CA 2.049 55.011 53.050 -0.147 0.000 0.851 286 N CB -0.318 37.909 38.487 -0.433 0.000 1.027 286 N HN 0.371 nan 8.380 nan 0.000 0.422 287 S N 1.009 116.719 115.700 0.016 0.000 2.359 287 S HA -0.133 4.335 4.470 -0.002 0.000 0.223 287 S C 2.251 176.830 174.600 -0.033 0.000 1.039 287 S CA 1.435 59.649 58.200 0.024 0.000 1.042 287 S CB -0.682 62.536 63.200 0.030 0.000 0.915 287 S HN 0.627 nan 8.310 nan 0.000 0.439 288 A N 1.322 124.090 122.820 -0.087 0.000 1.892 288 A HA -0.103 4.215 4.320 -0.002 0.000 0.218 288 A C 2.398 179.871 177.584 -0.185 0.000 1.188 288 A CA 1.879 53.826 52.037 -0.149 0.000 0.631 288 A CB -1.149 17.740 19.000 -0.185 0.000 0.822 288 A HN 0.342 nan 8.150 nan 0.000 0.447 289 V N -0.164 119.621 119.914 -0.215 0.000 2.332 289 V HA -0.300 3.818 4.120 -0.002 0.000 0.248 289 V C 2.673 178.860 176.094 0.156 0.000 1.055 289 V CA 2.429 64.686 62.300 -0.070 0.000 1.038 289 V CB -0.815 30.960 31.823 -0.080 0.000 0.651 289 V HN 0.543 nan 8.190 nan 0.000 0.450 290 R N -0.134 120.440 120.500 0.124 0.000 2.090 290 R HA -0.072 4.267 4.340 -0.002 0.000 0.228 290 R C 2.259 178.566 176.300 0.012 0.000 1.110 290 R CA 1.254 57.430 56.100 0.127 0.000 0.973 290 R CB -0.380 29.976 30.300 0.093 0.000 0.869 290 R HN 0.507 nan 8.270 nan 0.000 0.440 291 N N 0.266 118.947 118.700 -0.031 0.000 2.104 291 N HA -0.135 4.604 4.740 -0.002 0.000 0.190 291 N C 1.785 177.226 175.510 -0.115 0.000 1.024 291 N CA 1.186 54.195 53.050 -0.069 0.000 0.853 291 N CB -0.201 38.239 38.487 -0.078 0.000 1.008 291 N HN 0.023 nan 8.380 nan 0.000 0.424 292 V N 0.031 119.832 119.914 -0.188 0.000 2.302 292 V HA -0.083 4.035 4.120 -0.002 0.000 0.243 292 V C 1.748 177.622 176.094 -0.366 0.000 1.036 292 V CA 1.305 63.384 62.300 -0.367 0.000 1.020 292 V CB -0.472 30.956 31.823 -0.658 0.000 0.657 292 V HN 0.076 nan 8.190 nan 0.000 0.453 293 F N -0.222 119.728 119.950 -0.001 0.000 2.317 293 F HA 0.135 4.660 4.527 -0.003 0.000 0.293 293 F C 2.476 178.344 175.800 0.113 0.000 1.085 293 F CA 1.311 59.378 58.000 0.111 0.000 1.390 293 F CB -0.278 38.865 39.000 0.240 0.000 1.077 293 F HN -0.072 nan 8.300 nan 0.000 0.517 294 R N 0.325 120.902 120.500 0.128 0.000 2.062 294 R HA -0.024 4.315 4.340 -0.002 0.000 0.218 294 R C 1.140 177.359 176.300 -0.134 0.000 1.161 294 R CA 1.386 57.343 56.100 -0.238 0.000 0.994 294 R CB -0.149 29.694 30.300 -0.760 0.000 0.888 294 R HN 0.053 nan 8.270 nan 0.000 0.442 295 D N 0.786 121.123 120.400 -0.104 0.000 2.349 295 D HA 0.009 4.647 4.640 -0.002 0.000 0.215 295 D C -0.221 176.048 176.300 -0.052 0.000 1.016 295 D CA 0.176 54.132 54.000 -0.073 0.000 0.870 295 D CB 0.041 40.803 40.800 -0.065 0.000 0.917 295 D HN 0.278 nan 8.370 nan 0.000 0.524 296 N N 0.754 119.421 118.700 -0.055 0.000 2.708 296 N HA -0.168 4.570 4.740 -0.002 0.000 0.249 296 N C 0.782 176.258 175.510 -0.055 0.000 1.097 296 N CA 1.268 54.284 53.050 -0.057 0.000 0.710 296 N CB -1.856 36.611 38.487 -0.033 0.000 1.032 296 N HN 0.397 nan 8.380 nan 0.000 0.551 297 T N -5.054 109.464 114.554 -0.060 0.000 3.086 297 T HA 0.326 4.674 4.350 -0.002 0.000 0.250 297 T C 0.632 175.296 174.700 -0.060 0.000 1.074 297 T CA 0.124 62.194 62.100 -0.050 0.000 0.988 297 T CB 0.684 69.528 68.868 -0.041 0.000 0.988 297 T HN 0.121 nan 8.240 nan 0.000 0.530 298 S N 1.535 117.184 115.700 -0.085 0.000 2.618 298 S HA 0.657 5.126 4.470 -0.002 0.000 0.277 298 S C -1.093 173.434 174.600 -0.122 0.000 1.138 298 S CA -1.007 57.136 58.200 -0.095 0.000 0.844 298 S CB 1.907 65.039 63.200 -0.114 0.000 1.127 298 S HN 0.699 nan 8.310 nan 0.000 0.474 299 N N -0.131 118.511 118.700 -0.097 0.000 2.741 299 N HA 0.432 5.170 4.740 -0.002 0.000 0.310 299 N C 0.863 176.254 175.510 -0.199 0.000 1.295 299 N CA -0.825 52.158 53.050 -0.113 0.000 0.893 299 N CB -0.116 38.375 38.487 0.006 0.000 1.247 299 N HN 0.310 nan 8.380 nan 0.000 0.596 300 M N -0.753 118.681 119.600 -0.276 0.000 2.143 300 M HA -0.142 4.336 4.480 -0.002 0.000 0.258 300 M C 1.351 177.360 176.300 -0.484 0.000 1.071 300 M CA 1.699 56.721 55.300 -0.464 0.000 1.088 300 M CB -1.580 30.759 32.600 -0.434 0.000 1.360 300 M HN 0.569 nan 8.290 nan 0.000 0.404 301 Y N 0.369 120.530 120.300 -0.232 0.000 2.207 301 Y HA -0.176 4.372 4.550 -0.002 0.000 0.287 301 Y C 2.606 178.387 175.900 -0.198 0.000 1.156 301 Y CA 1.533 59.520 58.100 -0.187 0.000 1.182 301 Y CB -1.117 37.273 38.460 -0.118 0.000 0.979 301 Y HN 0.320 nan 8.280 nan 0.000 0.521 302 A N -0.305 122.480 122.820 -0.059 0.000 1.902 302 A HA -0.171 4.148 4.320 -0.002 0.000 0.217 302 A C 2.166 179.644 177.584 -0.176 0.000 1.181 302 A CA 1.594 53.570 52.037 -0.102 0.000 0.623 302 A CB -0.959 17.970 19.000 -0.118 0.000 0.818 302 A HN 0.397 nan 8.150 nan 0.000 0.443 303 L N 0.196 121.234 121.223 -0.309 0.000 2.027 303 L HA -0.130 4.208 4.340 -0.002 0.000 0.206 303 L C 2.004 178.694 176.870 -0.301 0.000 1.074 303 L CA 2.641 57.247 54.840 -0.390 0.000 0.745 303 L CB -0.688 40.992 42.059 -0.632 0.000 0.898 303 L HN 0.508 nan 8.230 nan 0.000 0.433 304 D N -1.877 118.285 120.400 -0.397 0.000 2.144 304 D HA -0.199 4.440 4.640 -0.002 0.000 0.200 304 D C 2.355 178.648 176.300 -0.013 0.000 0.978 304 D CA 1.293 55.195 54.000 -0.163 0.000 0.833 304 D CB 0.026 40.732 40.800 -0.156 0.000 0.961 304 D HN 0.331 nan 8.370 nan 0.000 0.470 305 S N -0.812 114.868 115.700 -0.033 0.000 2.359 305 S HA -0.195 4.273 4.470 -0.002 0.000 0.224 305 S C 1.950 176.557 174.600 0.010 0.000 1.035 305 S CA 1.518 59.720 58.200 0.004 0.000 1.018 305 S CB -0.474 62.723 63.200 -0.006 0.000 0.876 305 S HN 0.353 nan 8.310 nan 0.000 0.448 306 M N 1.065 120.659 119.600 -0.009 0.000 2.117 306 M HA -0.076 4.402 4.480 -0.002 0.000 0.262 306 M C 1.783 178.131 176.300 0.079 0.000 1.065 306 M CA 1.575 56.888 55.300 0.021 0.000 1.114 306 M CB -0.988 31.606 32.600 -0.011 0.000 1.361 306 M HN 0.328 nan 8.290 nan 0.000 0.408 307 I N 1.573 122.203 120.570 0.100 0.000 2.118 307 I HA -0.350 3.819 4.170 -0.002 0.000 0.241 307 I C 2.163 178.354 176.117 0.123 0.000 1.070 307 I CA 1.458 62.852 61.300 0.156 0.000 1.327 307 I CB -1.916 36.195 38.000 0.185 0.000 1.034 307 I HN 0.382 nan 8.210 nan 0.000 0.405 308 N N 0.239 118.997 118.700 0.096 0.000 2.039 308 N HA -0.158 4.581 4.740 -0.002 0.000 0.193 308 N C 2.066 177.606 175.510 0.050 0.000 1.044 308 N CA 1.652 54.748 53.050 0.076 0.000 0.847 308 N CB -0.519 38.008 38.487 0.067 0.000 1.030 308 N HN 0.230 nan 8.380 nan 0.000 0.422 309 S N 0.441 116.161 115.700 0.033 0.000 2.365 309 S HA -0.174 4.295 4.470 -0.002 0.000 0.225 309 S C 2.111 176.698 174.600 -0.022 0.000 1.039 309 S CA 2.421 60.620 58.200 -0.000 0.000 1.033 309 S CB -0.611 62.584 63.200 -0.009 0.000 0.887 309 S HN 0.657 nan 8.310 nan 0.000 0.447 310 T N 0.069 114.640 114.554 0.028 0.000 2.737 310 T HA 0.080 4.429 4.350 -0.002 0.000 0.265 310 T C 1.972 176.722 174.700 0.082 0.000 1.038 310 T CA 1.382 63.511 62.100 0.048 0.000 1.144 310 T CB -1.031 67.979 68.868 0.236 0.000 0.866 310 T HN 0.435 nan 8.240 nan 0.000 0.434 311 A N 1.696 124.580 122.820 0.106 0.000 2.024 311 A HA -0.081 4.237 4.320 -0.002 0.000 0.220 311 A C 2.552 180.168 177.584 0.054 0.000 1.164 311 A CA 2.178 54.276 52.037 0.101 0.000 0.643 311 A CB -1.375 17.680 19.000 0.091 0.000 0.806 311 A HN 0.637 nan 8.150 nan 0.000 0.451 312 T N -0.309 114.252 114.554 0.012 0.000 2.894 312 T HA -0.055 4.294 4.350 -0.002 0.000 0.258 312 T C 1.359 176.027 174.700 -0.053 0.000 1.043 312 T CA 1.130 63.223 62.100 -0.013 0.000 1.141 312 T CB -0.252 68.605 68.868 -0.018 0.000 0.873 312 T HN 0.464 nan 8.240 nan 0.000 0.449 313 D N 0.246 120.561 120.400 -0.142 0.000 2.149 313 D HA 0.007 4.646 4.640 -0.002 0.000 0.201 313 D C -0.066 176.100 176.300 -0.224 0.000 0.972 313 D CA 0.906 54.749 54.000 -0.261 0.000 0.835 313 D CB -0.102 40.413 40.800 -0.475 0.000 0.966 313 D HN 0.374 nan 8.370 nan 0.000 0.476 314 Y N 1.446 121.760 120.300 0.024 0.000 2.320 314 Y HA 0.199 4.747 4.550 -0.003 0.000 0.334 314 Y C 1.463 177.375 175.900 0.021 0.000 1.055 314 Y CA -0.953 57.164 58.100 0.028 0.000 1.143 314 Y CB 0.617 39.105 38.460 0.046 0.000 1.193 314 Y HN -0.259 nan 8.280 nan 0.000 0.477 315 N N 1.565 120.375 118.700 0.184 0.000 2.120 315 N HA -0.150 4.588 4.740 -0.002 0.000 0.188 315 N C -0.158 175.392 175.510 0.067 0.000 1.024 315 N CA 1.299 54.402 53.050 0.089 0.000 0.852 315 N CB 0.003 38.531 38.487 0.068 0.000 1.003 315 N HN 0.644 nan 8.380 nan 0.000 0.424 316 Q N -0.194 119.675 119.800 0.115 0.000 2.798 316 Q HA 0.244 4.582 4.340 -0.002 0.000 0.250 316 Q C 0.523 176.603 176.000 0.132 0.000 1.006 316 Q CA -0.142 55.730 55.803 0.115 0.000 0.759 316 Q CB 1.897 30.743 28.738 0.180 0.000 1.201 316 Q HN -0.100 nan 8.270 nan 0.000 0.486 317 V N 2.738 122.732 119.914 0.135 0.000 2.469 317 V HA -0.309 3.810 4.120 -0.002 0.000 0.251 317 V C 0.929 177.062 176.094 0.064 0.000 1.064 317 V CA 2.271 64.646 62.300 0.124 0.000 1.066 317 V CB -0.054 31.865 31.823 0.160 0.000 0.667 317 V HN 0.816 nan 8.190 nan 0.000 0.461 318 N N -0.018 118.738 118.700 0.093 0.000 2.585 318 N HA -0.116 4.623 4.740 -0.002 0.000 0.188 318 N C 0.712 176.250 175.510 0.046 0.000 1.102 318 N CA 1.008 54.093 53.050 0.058 0.000 0.920 318 N CB -0.029 38.534 38.487 0.127 0.000 0.963 318 N HN 0.527 nan 8.380 nan 0.000 0.447 319 D N 0.026 120.497 120.400 0.119 0.000 2.369 319 D HA 0.032 4.671 4.640 -0.002 0.000 0.211 319 D C 0.008 176.385 176.300 0.129 0.000 1.077 319 D CA 0.382 54.502 54.000 0.200 0.000 0.842 319 D CB 0.312 41.321 40.800 0.347 0.000 0.947 319 D HN 0.162 nan 8.370 nan 0.000 0.509 320 Q N 0.644 120.431 119.800 -0.022 0.000 2.261 320 Q HA 0.265 4.604 4.340 -0.002 0.000 0.252 320 Q C -0.003 175.926 176.000 -0.118 0.000 0.915 320 Q CA -0.464 55.283 55.803 -0.093 0.000 0.915 320 Q CB 2.133 30.755 28.738 -0.192 0.000 1.204 320 Q HN -0.124 nan 8.270 nan 0.000 0.421 321 V N 3.287 123.143 119.914 -0.096 0.000 2.408 321 V HA 0.212 4.330 4.120 -0.002 0.000 0.267 321 V C 0.563 176.652 176.094 -0.008 0.000 1.047 321 V CA -0.394 61.836 62.300 -0.117 0.000 0.937 321 V CB 0.555 32.208 31.823 -0.284 0.000 0.999 321 V HN 0.869 nan 8.190 nan 0.000 0.472 322 T N 2.982 117.436 114.554 -0.166 0.000 2.922 322 T HA 0.849 5.198 4.350 -0.002 0.000 0.285 322 T C -0.664 174.072 174.700 0.059 0.000 1.005 322 T CA -0.494 61.403 62.100 -0.338 0.000 1.061 322 T CB 1.433 69.728 68.868 -0.955 0.000 1.007 322 T HN 0.666 nan 8.240 nan 0.000 0.502 323 F N -0.692 119.306 119.950 0.081 0.000 2.725 323 F HA 0.453 4.978 4.527 -0.002 0.000 0.309 323 F C 0.316 176.252 175.800 0.226 0.000 1.132 323 F CA -1.513 56.568 58.000 0.135 0.000 0.957 323 F CB 0.578 39.637 39.000 0.099 0.000 1.286 323 F HN 0.582 nan 8.300 nan 0.000 0.440 324 I N -1.141 119.630 120.570 0.335 0.000 3.427 324 I HA 0.324 4.492 4.170 -0.002 0.000 0.288 324 I C -0.484 175.916 176.117 0.472 0.000 1.249 324 I CA 0.544 62.020 61.300 0.293 0.000 1.421 324 I CB 0.024 38.036 38.000 0.020 0.000 1.086 324 I HN 0.697 nan 8.210 nan 0.000 0.448 325 D N 0.547 121.267 120.400 0.534 0.000 2.738 325 D HA 0.356 4.994 4.640 -0.002 0.000 0.308 325 D C -1.096 175.327 176.300 0.205 0.000 1.311 325 D CA -0.624 53.649 54.000 0.456 0.000 0.799 325 D CB 0.691 41.733 40.800 0.402 0.000 1.332 325 D HN 0.350 nan 8.370 nan 0.000 0.441 326 N N -2.841 115.821 118.700 -0.063 0.000 3.411 326 N HA 0.077 4.816 4.740 -0.002 0.000 0.312 326 N C 0.537 175.678 175.510 -0.614 0.000 1.454 326 N CA -0.150 52.450 53.050 -0.750 0.000 0.863 326 N CB -0.371 37.725 38.487 -0.652 0.000 1.747 326 N HN 0.602 nan 8.380 nan 0.000 0.474 327 H N -1.527 117.087 119.070 -0.760 0.000 2.560 327 H HA 0.106 4.661 4.556 -0.003 0.000 0.283 327 H C -0.696 174.624 175.328 -0.013 0.000 1.028 327 H CA 1.162 57.083 56.048 -0.212 0.000 1.221 327 H CB -0.244 29.547 29.762 0.048 0.000 1.363 327 H HN 0.521 nan 8.280 nan 0.000 0.594 328 D N 0.690 120.868 120.400 -0.370 0.000 2.363 328 D HA 0.156 4.795 4.640 -0.002 0.000 0.214 328 D C 1.088 177.404 176.300 0.028 0.000 1.093 328 D CA 0.173 54.069 54.000 -0.174 0.000 0.837 328 D CB 0.613 41.342 40.800 -0.118 0.000 0.948 328 D HN 0.598 nan 8.370 nan 0.000 0.507 329 M N -1.856 117.785 119.600 0.067 0.000 2.924 329 M HA 0.443 4.922 4.480 -0.002 0.000 0.271 329 M C -1.554 174.816 176.300 0.116 0.000 1.280 329 M CA -0.943 54.438 55.300 0.135 0.000 0.813 329 M CB 1.710 34.458 32.600 0.246 0.000 1.658 329 M HN -0.458 nan 8.290 nan 0.000 0.467 330 D N 2.115 122.583 120.400 0.114 0.000 2.372 330 D HA 0.255 4.894 4.640 -0.002 0.000 0.243 330 D C -0.224 176.159 176.300 0.138 0.000 1.121 330 D CA 0.054 54.112 54.000 0.098 0.000 0.898 330 D CB 0.689 41.527 40.800 0.062 0.000 1.202 330 D HN 0.329 nan 8.370 nan 0.000 0.428 331 R N 1.388 121.971 120.500 0.137 0.000 2.623 331 R HA -0.040 4.298 4.340 -0.002 0.000 0.271 331 R C 1.150 177.569 176.300 0.198 0.000 1.043 331 R CA -0.057 56.153 56.100 0.184 0.000 1.083 331 R CB 0.013 30.389 30.300 0.127 0.000 0.974 331 R HN 0.525 nan 8.270 nan 0.000 0.436 332 F N 2.043 122.069 119.950 0.126 0.000 2.126 332 F HA -0.195 4.331 4.527 -0.002 0.000 0.299 332 F C 1.080 176.947 175.800 0.110 0.000 1.096 332 F CA 1.511 59.585 58.000 0.124 0.000 1.255 332 F CB 0.046 39.125 39.000 0.132 0.000 0.997 332 F HN 0.263 nan 8.300 nan 0.000 0.479 333 K N 1.188 121.788 120.400 0.333 0.000 2.297 333 K HA 0.273 4.591 4.320 -0.002 0.000 0.286 333 K C -0.867 175.803 176.600 0.117 0.000 1.053 333 K CA 0.112 56.546 56.287 0.245 0.000 0.940 333 K CB 0.787 33.454 32.500 0.278 0.000 1.019 333 K HN 0.067 nan 8.250 nan 0.000 0.475 334 T N 1.740 116.339 114.554 0.074 0.000 2.887 334 T HA 0.176 4.525 4.350 -0.002 0.000 0.292 334 T C 0.869 175.594 174.700 0.042 0.000 1.087 334 T CA -0.274 61.849 62.100 0.038 0.000 1.009 334 T CB 1.446 70.315 68.868 0.002 0.000 1.203 334 T HN 0.622 nan 8.240 nan 0.000 0.518 335 S N 0.656 116.372 115.700 0.027 0.000 2.399 335 S HA -0.065 4.404 4.470 -0.002 0.000 0.231 335 S C 2.018 176.630 174.600 0.020 0.000 1.022 335 S CA 0.880 59.093 58.200 0.022 0.000 0.983 335 S CB -0.500 62.708 63.200 0.013 0.000 0.803 335 S HN 0.771 nan 8.310 nan 0.000 0.480 336 A N 0.656 123.484 122.820 0.014 0.000 2.238 336 A HA 0.495 4.814 4.320 -0.002 0.000 0.208 336 A C 0.603 178.197 177.584 0.017 0.000 1.177 336 A CA 0.016 52.059 52.037 0.011 0.000 0.804 336 A CB -0.136 18.865 19.000 0.001 0.000 0.823 336 A HN 0.376 nan 8.150 nan 0.000 0.482 337 V N 3.133 123.065 119.914 0.030 0.000 2.357 337 V HA 0.174 4.293 4.120 -0.002 0.000 0.284 337 V C -0.396 175.760 176.094 0.102 0.000 1.018 337 V CA -1.236 61.097 62.300 0.055 0.000 0.841 337 V CB 1.086 32.922 31.823 0.022 0.000 0.991 337 V HN 0.668 nan 8.190 nan 0.000 0.437 338 N N 3.936 122.700 118.700 0.106 0.000 2.483 338 N HA 0.121 4.859 4.740 -0.002 0.000 0.269 338 N C 0.570 176.165 175.510 0.141 0.000 1.209 338 N CA -0.510 52.596 53.050 0.095 0.000 0.969 338 N CB 0.824 39.351 38.487 0.066 0.000 1.173 338 N HN 0.410 nan 8.380 nan 0.000 0.475 339 N N 0.998 119.743 118.700 0.074 0.000 2.060 339 N HA -0.230 4.509 4.740 -0.002 0.000 0.195 339 N C 1.563 177.180 175.510 0.178 0.000 1.028 339 N CA 1.376 54.486 53.050 0.101 0.000 0.861 339 N CB -0.428 37.978 38.487 -0.136 0.000 1.029 339 N HN 0.584 nan 8.380 nan 0.000 0.428 340 R N 1.332 121.905 120.500 0.121 0.000 2.117 340 R HA 0.006 4.344 4.340 -0.002 0.000 0.243 340 R C 1.707 178.094 176.300 0.145 0.000 1.143 340 R CA 1.318 57.492 56.100 0.122 0.000 0.968 340 R CB -0.250 30.110 30.300 0.100 0.000 0.863 340 R HN 0.126 nan 8.270 nan 0.000 0.444 341 R N 0.244 120.864 120.500 0.201 0.000 2.096 341 R HA -0.072 4.266 4.340 -0.002 0.000 0.235 341 R C 1.997 178.423 176.300 0.209 0.000 1.127 341 R CA 0.959 57.224 56.100 0.275 0.000 0.968 341 R CB -1.230 29.292 30.300 0.371 0.000 0.861 341 R HN 0.282 nan 8.270 nan 0.000 0.440 342 L N 1.913 123.274 121.223 0.229 0.000 2.017 342 L HA -0.140 4.199 4.340 -0.002 0.000 0.208 342 L C 1.588 178.351 176.870 -0.179 0.000 1.073 342 L CA 1.929 56.723 54.840 -0.076 0.000 0.745 342 L CB -0.955 41.218 42.059 0.190 0.000 0.894 342 L HN 0.155 nan 8.230 nan 0.000 0.432 343 E N -0.537 119.663 120.200 0.000 0.000 2.085 343 E HA -0.262 4.086 4.350 -0.002 0.000 0.194 343 E C 2.128 178.669 176.600 -0.097 0.000 0.994 343 E CA 1.570 57.960 56.400 -0.016 0.000 0.801 343 E CB -0.132 29.615 29.700 0.078 0.000 0.743 343 E HN 0.637 nan 8.360 nan 0.000 0.453 344 Q N 0.203 119.928 119.800 -0.125 0.000 2.084 344 Q HA -0.140 4.199 4.340 -0.002 0.000 0.202 344 Q C 2.353 178.056 176.000 -0.496 0.000 0.978 344 Q CA 1.261 56.921 55.803 -0.239 0.000 0.844 344 Q CB -0.217 28.404 28.738 -0.194 0.000 0.898 344 Q HN 0.264 nan 8.270 nan 0.000 0.426 345 A N 1.119 123.540 122.820 -0.664 0.000 1.933 345 A HA -0.160 4.159 4.320 -0.002 0.000 0.218 345 A C 2.104 179.550 177.584 -0.231 0.000 1.175 345 A CA 1.038 52.710 52.037 -0.608 0.000 0.628 345 A CB -0.656 17.980 19.000 -0.606 0.000 0.814 345 A HN 0.254 nan 8.150 nan 0.000 0.444 346 L N -0.882 120.205 121.223 -0.227 0.000 1.976 346 L HA -0.222 4.116 4.340 -0.002 0.000 0.209 346 L C 3.183 180.023 176.870 -0.051 0.000 1.071 346 L CA 1.262 56.034 54.840 -0.113 0.000 0.746 346 L CB -0.739 41.250 42.059 -0.117 0.000 0.890 346 L HN 0.444 nan 8.230 nan 0.000 0.432 347 A N -0.181 122.606 122.820 -0.055 0.000 1.927 347 A HA -0.316 4.002 4.320 -0.002 0.000 0.220 347 A C 2.176 179.784 177.584 0.040 0.000 1.185 347 A CA 2.056 54.081 52.037 -0.020 0.000 0.639 347 A CB -1.009 17.978 19.000 -0.021 0.000 0.820 347 A HN 0.422 nan 8.150 nan 0.000 0.451 348 F N 1.361 121.294 119.950 -0.028 0.000 2.069 348 F HA -0.174 4.351 4.527 -0.003 0.000 0.298 348 F C 2.569 178.470 175.800 0.168 0.000 1.113 348 F CA 2.388 60.455 58.000 0.111 0.000 1.214 348 F CB -0.827 38.192 39.000 0.032 0.000 0.978 348 F HN 0.233 nan 8.300 nan 0.000 0.474 349 T N 1.613 116.227 114.554 0.101 0.000 2.674 349 T HA -0.200 4.149 4.350 -0.002 0.000 0.265 349 T C 2.190 176.834 174.700 -0.093 0.000 1.039 349 T CA 1.843 63.991 62.100 0.079 0.000 1.150 349 T CB -0.727 68.230 68.868 0.149 0.000 0.864 349 T HN 0.250 nan 8.240 nan 0.000 0.427 350 L N 1.285 122.468 121.223 -0.067 0.000 2.127 350 L HA -0.130 4.209 4.340 -0.002 0.000 0.211 350 L C 2.851 179.653 176.870 -0.114 0.000 1.089 350 L CA 1.635 56.422 54.840 -0.088 0.000 0.757 350 L CB -0.986 41.031 42.059 -0.070 0.000 0.899 350 L HN 0.501 nan 8.230 nan 0.000 0.434 351 T N -5.890 108.598 114.554 -0.110 0.000 3.037 351 T HA 0.130 4.479 4.350 -0.002 0.000 0.251 351 T C 1.042 175.684 174.700 -0.097 0.000 1.079 351 T CA -0.174 61.877 62.100 -0.081 0.000 1.067 351 T CB 0.161 69.020 68.868 -0.015 0.000 0.948 351 T HN 0.042 nan 8.240 nan 0.000 0.496 352 S N 2.346 117.900 115.700 -0.244 0.000 2.617 352 S HA 0.436 4.905 4.470 -0.002 0.000 0.259 352 S C 0.652 175.120 174.600 -0.220 0.000 1.301 352 S CA -0.920 57.099 58.200 -0.300 0.000 0.984 352 S CB 0.469 63.398 63.200 -0.451 0.000 0.954 352 S HN 0.642 nan 8.310 nan 0.000 0.572 353 R N 0.644 121.042 120.500 -0.169 0.000 2.679 353 R HA 0.569 4.907 4.340 -0.002 0.000 0.269 353 R C 0.537 176.698 176.300 -0.233 0.000 1.076 353 R CA 0.492 56.504 56.100 -0.147 0.000 1.160 353 R CB -1.196 29.074 30.300 -0.050 0.000 1.054 353 R HN 0.948 nan 8.270 nan 0.000 0.507 354 G N -0.143 108.541 108.800 -0.193 0.000 2.526 354 G HA2 -0.156 3.802 3.960 -0.002 0.000 0.250 354 G HA3 -0.156 3.802 3.960 -0.002 0.000 0.250 354 G C -1.481 173.274 174.900 -0.243 0.000 1.289 354 G CA -0.348 44.625 45.100 -0.212 0.000 0.947 354 G HN 0.647 nan 8.290 nan 0.000 0.517 355 V N 2.458 122.231 119.914 -0.235 0.000 2.334 355 V HA 0.539 4.657 4.120 -0.002 0.000 0.281 355 V C -1.965 174.021 176.094 -0.179 0.000 1.016 355 V CA -1.105 61.061 62.300 -0.224 0.000 0.832 355 V CB 1.652 33.323 31.823 -0.255 0.000 0.999 355 V HN 0.645 nan 8.190 nan 0.000 0.439 356 P HA 0.528 nan 4.420 nan 0.000 0.278 356 P C -0.819 176.507 177.300 0.044 0.000 1.238 356 P CA -0.195 62.862 63.100 -0.071 0.000 0.794 356 P CB 1.149 32.801 31.700 -0.079 0.000 0.955 357 A N 3.262 126.168 122.820 0.144 0.000 2.398 357 A HA 0.708 5.026 4.320 -0.002 0.000 0.301 357 A C -0.958 176.764 177.584 0.230 0.000 1.041 357 A CA -0.652 51.528 52.037 0.239 0.000 0.711 357 A CB 0.709 19.932 19.000 0.372 0.000 1.240 357 A HN 0.440 nan 8.150 nan 0.000 0.420 358 I N 2.587 123.269 120.570 0.187 0.000 2.362 358 I HA 0.213 4.381 4.170 -0.002 0.000 0.289 358 I C -0.821 175.312 176.117 0.027 0.000 0.994 358 I CA -0.691 60.689 61.300 0.133 0.000 1.158 358 I CB 1.323 39.410 38.000 0.147 0.000 1.315 358 I HN 0.708 nan 8.210 nan 0.000 0.451 359 Y N 8.604 128.837 120.300 -0.112 0.000 2.544 359 Y HA 0.041 4.590 4.550 -0.002 0.000 0.330 359 Y C 0.058 175.745 175.900 -0.355 0.000 1.136 359 Y CA -1.126 56.847 58.100 -0.212 0.000 1.417 359 Y CB 0.031 38.413 38.460 -0.131 0.000 1.229 359 Y HN 0.465 nan 8.280 nan 0.000 0.532 360 Y N 3.692 123.652 120.300 -0.567 0.000 2.903 360 Y HA 0.300 4.849 4.550 -0.003 0.000 0.338 360 Y C 1.130 176.898 175.900 -0.219 0.000 1.265 360 Y CA -0.190 57.601 58.100 -0.516 0.000 1.532 360 Y CB -0.014 38.314 38.460 -0.220 0.000 1.293 360 Y HN 0.909 nan 8.280 nan 0.000 0.609 361 G N 1.941 110.774 108.800 0.055 0.000 2.195 361 G HA2 -0.361 3.597 3.960 -0.002 0.000 0.246 361 G HA3 -0.361 3.597 3.960 -0.002 0.000 0.246 361 G C 0.842 175.694 174.900 -0.081 0.000 0.984 361 G CA 0.432 45.509 45.100 -0.040 0.000 0.633 361 G HN 0.857 nan 8.290 nan 0.000 0.525 362 T N 1.647 116.144 114.554 -0.095 0.000 2.759 362 T HA -0.092 4.256 4.350 -0.002 0.000 0.269 362 T C 2.202 176.800 174.700 -0.170 0.000 1.042 362 T CA 1.896 63.937 62.100 -0.097 0.000 1.140 362 T CB -0.245 68.592 68.868 -0.052 0.000 0.864 362 T HN 0.792 nan 8.240 nan 0.000 0.455 363 E N 1.124 121.301 120.200 -0.040 0.000 2.338 363 E HA -0.155 4.193 4.350 -0.002 0.000 0.197 363 E C 1.223 177.769 176.600 -0.091 0.000 1.007 363 E CA 0.915 57.278 56.400 -0.061 0.000 0.849 363 E CB -0.149 29.633 29.700 0.137 0.000 0.774 363 E HN 0.406 nan 8.360 nan 0.000 0.506 364 Q N -0.043 119.749 119.800 -0.013 0.000 2.204 364 Q HA 0.073 4.412 4.340 -0.002 0.000 0.209 364 Q C -0.543 175.539 176.000 0.136 0.000 0.861 364 Q CA -0.464 55.390 55.803 0.086 0.000 0.971 364 Q CB -0.362 28.434 28.738 0.097 0.000 1.095 364 Q HN 0.332 nan 8.270 nan 0.000 0.486 365 Y N -0.556 119.788 120.300 0.074 0.000 3.305 365 Y HA -0.280 4.269 4.550 -0.002 0.000 0.212 365 Y C 0.364 176.287 175.900 0.037 0.000 1.248 365 Y CA -0.066 58.072 58.100 0.062 0.000 1.359 365 Y CB -2.249 36.251 38.460 0.066 0.000 1.407 365 Y HN 0.254 nan 8.280 nan 0.000 0.572 366 L N 1.185 122.450 121.223 0.071 0.000 2.490 366 L HA 0.145 4.483 4.340 -0.002 0.000 0.274 366 L C 1.136 178.027 176.870 0.035 0.000 1.201 366 L CA 0.744 55.594 54.840 0.016 0.000 0.869 366 L CB 0.673 42.673 42.059 -0.099 0.000 1.123 366 L HN 0.482 nan 8.230 nan 0.000 0.484 367 T N 0.358 114.932 114.554 0.033 0.000 2.922 367 T HA 0.860 5.209 4.350 -0.002 0.000 0.281 367 T C -0.037 174.673 174.700 0.017 0.000 1.005 367 T CA -0.253 61.873 62.100 0.043 0.000 0.982 367 T CB 1.876 70.771 68.868 0.045 0.000 1.158 367 T HN 0.970 nan 8.240 nan 0.000 0.566 368 G N 0.511 109.328 108.800 0.027 0.000 2.677 368 G HA2 0.142 4.100 3.960 -0.002 0.000 0.321 368 G HA3 0.142 4.100 3.960 -0.002 0.000 0.321 368 G C -1.488 173.433 174.900 0.035 0.000 1.449 368 G CA -1.144 43.968 45.100 0.019 0.000 1.064 368 G HN 0.911 nan 8.290 nan 0.000 0.627 369 N N 0.911 119.627 118.700 0.026 0.000 2.400 369 N HA 0.697 5.435 4.740 -0.002 0.000 0.288 369 N C 0.620 176.144 175.510 0.023 0.000 1.024 369 N CA 0.288 53.356 53.050 0.029 0.000 0.894 369 N CB 1.897 40.396 38.487 0.020 0.000 1.173 369 N HN 1.682 nan 8.380 nan 0.000 0.487 370 G N 1.599 110.416 108.800 0.029 0.000 2.860 370 G HA2 -0.242 3.717 3.960 -0.002 0.000 0.553 370 G HA3 -0.242 3.717 3.960 -0.002 0.000 0.553 370 G C -0.938 173.976 174.900 0.023 0.000 1.439 370 G CA -0.674 44.436 45.100 0.017 0.000 0.879 370 G HN 0.674 nan 8.290 nan 0.000 0.545 371 D N 0.440 120.850 120.400 0.016 0.000 2.264 371 D HA 0.540 5.178 4.640 -0.002 0.000 0.250 371 D C -0.119 176.201 176.300 0.033 0.000 1.113 371 D CA -1.564 52.458 54.000 0.036 0.000 0.871 371 D CB 1.323 42.138 40.800 0.025 0.000 1.167 371 D HN 0.218 nan 8.370 nan 0.000 0.447 372 P HA 0.143 nan 4.420 nan 0.000 0.261 372 P C 0.181 177.489 177.300 0.013 0.000 1.268 372 P CA -0.073 63.063 63.100 0.060 0.000 0.833 372 P CB 0.615 32.349 31.700 0.056 0.000 1.231 373 D N 1.659 122.064 120.400 0.007 0.000 2.315 373 D HA -0.142 4.496 4.640 -0.002 0.000 0.211 373 D C 1.215 177.515 176.300 0.001 0.000 0.977 373 D CA 1.063 55.061 54.000 -0.003 0.000 0.894 373 D CB -0.419 40.382 40.800 0.002 0.000 0.910 373 D HN 0.378 nan 8.370 nan 0.000 0.490 374 N N -0.489 118.224 118.700 0.022 0.000 2.322 374 N HA 0.013 4.752 4.740 -0.002 0.000 0.194 374 N C 0.144 175.663 175.510 0.015 0.000 1.126 374 N CA 0.033 53.111 53.050 0.046 0.000 0.845 374 N CB 0.217 38.774 38.487 0.116 0.000 0.976 374 N HN -0.061 nan 8.380 nan 0.000 0.475 375 R N 0.111 120.590 120.500 -0.035 0.000 2.776 375 R HA 0.466 4.804 4.340 -0.002 0.000 0.391 375 R C -0.322 175.977 176.300 -0.002 0.000 1.116 375 R CA -0.260 55.793 56.100 -0.080 0.000 1.056 375 R CB 0.731 30.881 30.300 -0.250 0.000 1.369 375 R HN 0.218 nan 8.270 nan 0.000 0.590 376 A N 0.942 123.758 122.820 -0.007 0.000 2.346 376 A HA 0.194 4.513 4.320 -0.002 0.000 0.252 376 A C 0.032 177.670 177.584 0.091 0.000 1.089 376 A CA -0.303 51.736 52.037 0.003 0.000 0.797 376 A CB 0.322 19.306 19.000 -0.027 0.000 1.047 376 A HN 0.355 nan 8.150 nan 0.000 0.494 377 K N 0.596 121.018 120.400 0.038 0.000 2.414 377 K HA 0.136 4.455 4.320 -0.002 0.000 0.272 377 K C 0.148 176.780 176.600 0.052 0.000 0.993 377 K CA -0.228 56.086 56.287 0.045 0.000 0.964 377 K CB 0.173 32.661 32.500 -0.021 0.000 0.925 377 K HN 0.638 nan 8.250 nan 0.000 0.487 378 M N 7.772 127.401 119.600 0.049 0.000 2.356 378 M HA 0.044 4.523 4.480 -0.002 0.000 0.348 378 M C -1.819 174.322 176.300 -0.265 0.000 1.595 378 M CA -1.284 53.980 55.300 -0.060 0.000 1.095 378 M CB 0.910 33.357 32.600 -0.254 0.000 1.963 378 M HN 0.515 nan 8.290 nan 0.000 0.459 379 P HA 0.014 nan 4.420 nan 0.000 0.220 379 P C -0.455 176.656 177.300 -0.315 0.000 1.152 379 P CA 0.892 63.867 63.100 -0.209 0.000 0.812 379 P CB 0.233 31.869 31.700 -0.107 0.000 0.792 380 S N -2.121 113.298 115.700 -0.467 0.000 2.595 380 S HA 0.450 4.919 4.470 -0.002 0.000 0.270 380 S C -1.052 173.153 174.600 -0.659 0.000 1.145 380 S CA -0.713 57.195 58.200 -0.486 0.000 0.825 380 S CB 0.081 63.178 63.200 -0.172 0.000 1.107 380 S HN -0.168 nan 8.310 nan 0.000 0.461 381 F N 1.838 121.747 119.950 -0.068 0.000 2.791 381 F HA 0.465 4.990 4.527 -0.002 0.000 0.308 381 F C 1.309 177.213 175.800 0.173 0.000 1.138 381 F CA -0.337 57.645 58.000 -0.030 0.000 1.294 381 F CB 0.576 39.420 39.000 -0.260 0.000 0.975 381 F HN 0.664 nan 8.300 nan 0.000 0.512 382 S N 1.090 116.898 115.700 0.181 0.000 2.546 382 S HA 0.037 4.506 4.470 -0.002 0.000 0.290 382 S C 1.082 175.633 174.600 -0.083 0.000 1.290 382 S CA -0.100 58.134 58.200 0.057 0.000 1.069 382 S CB 0.571 63.790 63.200 0.031 0.000 0.846 382 S HN 0.492 nan 8.310 nan 0.000 0.495 383 K N 3.038 123.214 120.400 -0.373 0.000 2.397 383 K HA 0.144 4.463 4.320 -0.002 0.000 0.202 383 K C 1.009 177.118 176.600 -0.818 0.000 1.022 383 K CA 0.035 55.598 56.287 -1.207 0.000 1.141 383 K CB 0.312 32.203 32.500 -1.015 0.000 0.857 383 K HN 0.543 nan 8.250 nan 0.000 0.514 384 S N 0.848 116.358 115.700 -0.317 0.000 2.548 384 S HA -0.042 4.426 4.470 -0.002 0.000 0.215 384 S C 0.996 175.606 174.600 0.016 0.000 0.976 384 S CA 0.021 58.149 58.200 -0.120 0.000 0.908 384 S CB -0.047 63.118 63.200 -0.058 0.000 0.781 384 S HN 0.456 nan 8.310 nan 0.000 0.519 385 T N 0.199 114.817 114.554 0.106 0.000 2.860 385 T HA 0.158 4.506 4.350 -0.002 0.000 0.299 385 T C 1.332 176.184 174.700 0.253 0.000 1.045 385 T CA -0.124 62.123 62.100 0.246 0.000 1.071 385 T CB 0.620 69.732 68.868 0.407 0.000 0.985 385 T HN 0.026 nan 8.240 nan 0.000 0.537 386 T N 1.617 116.337 114.554 0.277 0.000 2.746 386 T HA -0.025 4.324 4.350 -0.002 0.000 0.267 386 T C 2.399 177.227 174.700 0.214 0.000 1.039 386 T CA 1.308 63.540 62.100 0.219 0.000 1.142 386 T CB -0.780 68.207 68.868 0.197 0.000 0.866 386 T HN 0.812 nan 8.240 nan 0.000 0.444 387 A N 1.086 124.054 122.820 0.248 0.000 1.902 387 A HA -0.012 4.306 4.320 -0.002 0.000 0.217 387 A C 1.995 179.611 177.584 0.053 0.000 1.181 387 A CA 1.223 53.288 52.037 0.046 0.000 0.623 387 A CB -0.999 17.830 19.000 -0.284 0.000 0.818 387 A HN 0.454 nan 8.150 nan 0.000 0.443 388 F N 1.438 121.379 119.950 -0.016 0.000 2.120 388 F HA -0.231 4.295 4.527 -0.002 0.000 0.300 388 F C 2.185 177.977 175.800 -0.012 0.000 1.095 388 F CA 1.969 59.964 58.000 -0.009 0.000 1.249 388 F CB -0.338 38.668 39.000 0.010 0.000 0.995 388 F HN 0.272 nan 8.300 nan 0.000 0.480 389 N N 0.419 119.316 118.700 0.328 0.000 2.043 389 N HA -0.182 4.557 4.740 -0.002 0.000 0.193 389 N C 2.003 177.559 175.510 0.077 0.000 1.037 389 N CA 2.018 55.193 53.050 0.209 0.000 0.851 389 N CB -0.411 38.166 38.487 0.151 0.000 1.027 389 N HN 0.235 nan 8.380 nan 0.000 0.422 390 V N 2.223 122.163 119.914 0.044 0.000 2.287 390 V HA -0.241 3.878 4.120 -0.002 0.000 0.248 390 V C 2.364 178.431 176.094 -0.046 0.000 1.053 390 V CA 1.417 63.715 62.300 -0.004 0.000 1.027 390 V CB -0.439 31.380 31.823 -0.008 0.000 0.646 390 V HN 0.282 nan 8.190 nan 0.000 0.447 391 I N 1.132 121.653 120.570 -0.082 0.000 2.208 391 I HA -0.243 3.926 4.170 -0.002 0.000 0.245 391 I C 2.646 178.682 176.117 -0.136 0.000 1.097 391 I CA 1.907 63.132 61.300 -0.125 0.000 1.363 391 I CB -0.652 37.233 38.000 -0.191 0.000 1.051 391 I HN 0.485 nan 8.210 nan 0.000 0.413 392 S N 0.628 116.240 115.700 -0.148 0.000 2.402 392 S HA -0.129 4.340 4.470 -0.002 0.000 0.229 392 S C 1.925 176.496 174.600 -0.049 0.000 1.021 392 S CA 0.744 58.884 58.200 -0.100 0.000 0.974 392 S CB -0.289 62.896 63.200 -0.025 0.000 0.800 392 S HN 0.424 nan 8.310 nan 0.000 0.484 393 K N 0.769 121.149 120.400 -0.034 0.000 2.098 393 K HA 0.246 4.565 4.320 -0.002 0.000 0.203 393 K C 2.070 178.639 176.600 -0.051 0.000 1.051 393 K CA 0.878 57.147 56.287 -0.031 0.000 0.957 393 K CB -0.258 32.230 32.500 -0.020 0.000 0.738 393 K HN 0.358 nan 8.250 nan 0.000 0.447 394 L N 0.316 121.502 121.223 -0.062 0.000 2.162 394 L HA -0.004 4.335 4.340 -0.002 0.000 0.205 394 L C 2.554 179.376 176.870 -0.080 0.000 1.086 394 L CA 0.520 55.316 54.840 -0.073 0.000 0.778 394 L CB -0.514 41.501 42.059 -0.075 0.000 0.928 394 L HN 0.120 nan 8.230 nan 0.000 0.446 395 A N 1.254 124.025 122.820 -0.082 0.000 1.884 395 A HA -0.188 4.131 4.320 -0.002 0.000 0.219 395 A C -0.036 177.493 177.584 -0.092 0.000 1.197 395 A CA 2.073 54.058 52.037 -0.087 0.000 0.637 395 A CB -1.988 16.960 19.000 -0.086 0.000 0.827 395 A HN 0.262 nan 8.150 nan 0.000 0.450 396 P HA -0.142 nan 4.420 nan 0.000 0.218 396 P C 1.174 178.422 177.300 -0.087 0.000 1.146 396 P CA 0.763 63.816 63.100 -0.079 0.000 0.813 396 P CB -0.097 31.566 31.700 -0.061 0.000 0.778 397 L N -0.857 120.314 121.223 -0.086 0.000 2.187 397 L HA -0.144 4.195 4.340 -0.002 0.000 0.213 397 L C 2.330 179.129 176.870 -0.119 0.000 1.100 397 L CA 1.681 56.467 54.840 -0.090 0.000 0.765 397 L CB -0.955 41.053 42.059 -0.084 0.000 0.904 397 L HN -0.060 nan 8.230 nan 0.000 0.437 398 R N -0.780 119.635 120.500 -0.141 0.000 2.193 398 R HA -0.142 4.197 4.340 -0.002 0.000 0.229 398 R C 1.969 178.140 176.300 -0.215 0.000 1.110 398 R CA 0.990 56.973 56.100 -0.195 0.000 0.988 398 R CB -0.117 30.062 30.300 -0.202 0.000 0.871 398 R HN 0.428 nan 8.270 nan 0.000 0.458 399 K N -0.398 119.906 120.400 -0.160 0.000 2.214 399 K HA 0.020 4.339 4.320 -0.002 0.000 0.201 399 K C 2.228 178.764 176.600 -0.106 0.000 1.049 399 K CA 1.104 57.305 56.287 -0.142 0.000 0.978 399 K CB 0.231 32.658 32.500 -0.121 0.000 0.842 399 K HN 0.096 nan 8.250 nan 0.000 0.474 400 S N 0.705 116.351 115.700 -0.089 0.000 2.406 400 S HA -0.099 4.369 4.470 -0.002 0.000 0.228 400 S C 0.764 175.329 174.600 -0.058 0.000 1.020 400 S CA 0.485 58.645 58.200 -0.066 0.000 0.965 400 S CB -0.313 62.852 63.200 -0.058 0.000 0.798 400 S HN 0.191 nan 8.310 nan 0.000 0.488 401 N N 2.333 120.990 118.700 -0.070 0.000 2.476 401 N HA 0.375 5.113 4.740 -0.002 0.000 0.257 401 N C -2.104 173.367 175.510 -0.064 0.000 0.970 401 N CA -2.163 50.860 53.050 -0.046 0.000 0.938 401 N CB 1.912 40.376 38.487 -0.039 0.000 1.144 401 N HN -0.002 nan 8.380 nan 0.000 0.500 402 P HA -0.062 nan 4.420 nan 0.000 0.229 402 P C 0.765 178.035 177.300 -0.050 0.000 1.160 402 P CA 0.567 63.667 63.100 -0.000 0.000 0.777 402 P CB 0.279 32.127 31.700 0.246 0.000 0.814 403 A N 0.476 123.351 122.820 0.091 0.000 1.933 403 A HA -0.133 4.186 4.320 -0.002 0.000 0.218 403 A C 2.214 179.791 177.584 -0.011 0.000 1.175 403 A CA 1.249 53.363 52.037 0.129 0.000 0.628 403 A CB -1.160 17.927 19.000 0.144 0.000 0.814 403 A HN 0.054 nan 8.150 nan 0.000 0.444 404 I N -0.387 120.129 120.570 -0.089 0.000 2.233 404 I HA -0.159 4.010 4.170 -0.002 0.000 0.243 404 I C 2.892 178.857 176.117 -0.253 0.000 1.093 404 I CA 1.471 62.689 61.300 -0.137 0.000 1.380 404 I CB -1.575 36.341 38.000 -0.140 0.000 1.067 404 I HN 0.353 nan 8.210 nan 0.000 0.413 405 A N 0.002 122.563 122.820 -0.433 0.000 1.897 405 A HA -0.157 4.161 4.320 -0.002 0.000 0.215 405 A C 1.861 178.981 177.584 -0.772 0.000 1.181 405 A CA 1.374 52.985 52.037 -0.710 0.000 0.620 405 A CB -0.624 17.726 19.000 -1.085 0.000 0.821 405 A HN 0.445 nan 8.150 nan 0.000 0.443 406 Y N -0.417 119.656 120.300 -0.379 0.000 2.442 406 Y HA 0.353 4.902 4.550 -0.002 0.000 0.250 406 Y C 1.726 177.494 175.900 -0.220 0.000 1.113 406 Y CA -0.798 57.044 58.100 -0.430 0.000 1.273 406 Y CB -0.686 37.166 38.460 -1.013 0.000 1.138 406 Y HN 0.243 nan 8.280 nan 0.000 0.522 407 G N 0.870 109.664 108.800 -0.009 0.000 2.664 407 G HA2 0.323 4.281 3.960 -0.002 0.000 0.242 407 G HA3 0.323 4.281 3.960 -0.002 0.000 0.242 407 G C 0.333 175.317 174.900 0.140 0.000 1.225 407 G CA -0.013 45.184 45.100 0.161 0.000 0.849 407 G HN 0.274 nan 8.290 nan 0.000 0.581 408 S N -1.107 114.694 115.700 0.168 0.000 2.694 408 S HA 0.744 5.212 4.470 -0.002 0.000 0.278 408 S C -0.154 174.522 174.600 0.128 0.000 1.152 408 S CA -0.562 57.718 58.200 0.134 0.000 1.010 408 S CB 1.654 64.934 63.200 0.133 0.000 1.104 408 S HN 0.652 nan 8.310 nan 0.000 0.547 409 T N 1.102 115.732 114.554 0.126 0.000 2.879 409 T HA 0.523 4.872 4.350 -0.002 0.000 0.290 409 T C -1.159 173.633 174.700 0.153 0.000 0.993 409 T CA -0.537 61.652 62.100 0.148 0.000 0.975 409 T CB 1.404 70.349 68.868 0.129 0.000 0.981 409 T HN 0.663 nan 8.240 nan 0.000 0.439 410 Q N 2.175 122.075 119.800 0.166 0.000 2.321 410 Q HA 0.284 4.623 4.340 -0.002 0.000 0.270 410 Q C -0.911 175.194 176.000 0.174 0.000 1.032 410 Q CA -0.757 55.137 55.803 0.152 0.000 0.784 410 Q CB 1.709 30.519 28.738 0.119 0.000 1.264 410 Q HN 0.599 nan 8.270 nan 0.000 0.448 411 Q N 3.662 123.578 119.800 0.194 0.000 2.281 411 Q HA 0.061 4.399 4.340 -0.002 0.000 0.267 411 Q C -0.237 175.867 176.000 0.173 0.000 1.053 411 Q CA 0.239 56.172 55.803 0.217 0.000 0.905 411 Q CB 0.669 29.590 28.738 0.303 0.000 1.195 411 Q HN 0.644 nan 8.270 nan 0.000 0.398 412 R N 3.410 124.009 120.500 0.164 0.000 2.206 412 R HA 0.144 4.482 4.340 -0.002 0.000 0.198 412 R C -0.196 176.287 176.300 0.304 0.000 0.986 412 R CA 0.503 56.716 56.100 0.189 0.000 1.029 412 R CB 0.249 30.646 30.300 0.162 0.000 0.966 412 R HN 0.682 nan 8.270 nan 0.000 0.487 413 W N -0.485 120.862 121.300 0.078 0.000 3.571 413 W HA 0.582 5.240 4.660 -0.002 0.000 0.294 413 W C -1.591 174.998 176.519 0.117 0.000 1.257 413 W CA -0.615 56.779 57.345 0.082 0.000 1.206 413 W CB 1.317 30.818 29.460 0.069 0.000 1.325 413 W HN -0.164 nan 8.180 nan 0.000 0.546 414 I N 5.003 125.638 120.570 0.109 0.000 2.947 414 I HA 0.488 4.656 4.170 -0.002 0.000 0.301 414 I C -1.670 174.294 176.117 -0.255 0.000 1.453 414 I CA -0.584 60.769 61.300 0.088 0.000 0.984 414 I CB 1.928 39.940 38.000 0.019 0.000 1.333 414 I HN 0.683 nan 8.210 nan 0.000 0.475 415 N N 2.601 121.162 118.700 -0.231 0.000 3.373 415 N HA 0.155 4.893 4.740 -0.002 0.000 0.275 415 N C -0.245 175.168 175.510 -0.162 0.000 1.489 415 N CA -0.207 52.743 53.050 -0.167 0.000 0.872 415 N CB -0.118 38.378 38.487 0.014 0.000 1.555 415 N HN 0.557 nan 8.380 nan 0.000 0.500 416 N N -0.505 118.245 118.700 0.082 0.000 2.091 416 N HA -0.213 4.526 4.740 -0.002 0.000 0.193 416 N C -0.359 175.143 175.510 -0.014 0.000 1.021 416 N CA 2.047 55.143 53.050 0.076 0.000 0.862 416 N CB -0.378 38.174 38.487 0.110 0.000 1.018 416 N HN 0.603 nan 8.380 nan 0.000 0.429 417 D N -0.355 120.062 120.400 0.028 0.000 2.454 417 D HA 0.232 4.870 4.640 -0.002 0.000 0.214 417 D C -0.144 176.205 176.300 0.082 0.000 1.088 417 D CA -0.042 53.975 54.000 0.028 0.000 0.855 417 D CB 1.101 41.932 40.800 0.051 0.000 1.025 417 D HN 0.041 nan 8.370 nan 0.000 0.502 418 V N 1.296 121.303 119.914 0.154 0.000 2.513 418 V HA 0.353 4.471 4.120 -0.002 0.000 0.299 418 V C -1.141 175.164 176.094 0.353 0.000 1.035 418 V CA -0.805 61.647 62.300 0.253 0.000 0.889 418 V CB 2.084 34.087 31.823 0.301 0.000 0.988 418 V HN -0.016 nan 8.190 nan 0.000 0.440 419 Y N 3.777 124.197 120.300 0.200 0.000 2.386 419 Y HA 0.711 5.259 4.550 -0.002 0.000 0.334 419 Y C -0.960 175.132 175.900 0.320 0.000 1.002 419 Y CA -1.304 56.941 58.100 0.242 0.000 1.068 419 Y CB 2.169 40.753 38.460 0.207 0.000 1.203 419 Y HN 0.331 nan 8.280 nan 0.000 0.443 420 V N 8.464 128.417 119.914 0.064 0.000 2.419 420 V HA 0.362 4.480 4.120 -0.002 0.000 0.287 420 V C -1.260 174.735 176.094 -0.164 0.000 1.017 420 V CA -0.785 61.492 62.300 -0.039 0.000 0.844 420 V CB 0.677 32.596 31.823 0.160 0.000 1.011 420 V HN 0.621 nan 8.190 nan 0.000 0.429 421 Y N 1.449 121.554 120.300 -0.324 0.000 2.587 421 Y HA 0.874 5.423 4.550 -0.002 0.000 0.337 421 Y C -0.273 175.588 175.900 -0.064 0.000 1.065 421 Y CA -1.530 56.425 58.100 -0.241 0.000 1.126 421 Y CB 1.529 39.782 38.460 -0.345 0.000 1.279 421 Y HN 0.589 nan 8.280 nan 0.000 0.489 422 E N 1.969 122.245 120.200 0.126 0.000 2.210 422 E HA 0.463 4.812 4.350 -0.002 0.000 0.266 422 E C -1.231 175.457 176.600 0.146 0.000 0.883 422 E CA -1.125 55.322 56.400 0.078 0.000 0.761 422 E CB 1.084 30.824 29.700 0.067 0.000 1.156 422 E HN 0.616 nan 8.360 nan 0.000 0.412 423 R N 3.423 123.992 120.500 0.115 0.000 2.393 423 R HA 0.453 4.791 4.340 -0.002 0.000 0.310 423 R C -0.681 175.691 176.300 0.120 0.000 0.968 423 R CA -0.592 55.583 56.100 0.125 0.000 0.867 423 R CB 1.453 31.811 30.300 0.096 0.000 1.124 423 R HN 0.553 nan 8.270 nan 0.000 0.450 424 K N 2.192 122.683 120.400 0.152 0.000 2.498 424 K HA 0.494 4.813 4.320 -0.002 0.000 0.254 424 K C -1.849 174.917 176.600 0.277 0.000 0.933 424 K CA -0.630 55.762 56.287 0.175 0.000 0.806 424 K CB 1.599 34.176 32.500 0.128 0.000 1.301 424 K HN 0.389 nan 8.250 nan 0.000 0.432 425 F N 3.665 123.663 119.950 0.081 0.000 2.839 425 F HA 0.405 4.931 4.527 -0.002 0.000 0.344 425 F C 0.140 175.982 175.800 0.070 0.000 1.242 425 F CA 0.732 58.784 58.000 0.087 0.000 1.091 425 F CB 1.184 40.256 39.000 0.120 0.000 1.374 425 F HN 0.850 nan 8.300 nan 0.000 0.553 426 G N 5.841 114.419 108.800 -0.371 0.000 2.583 426 G HA2 -0.361 3.598 3.960 -0.002 0.000 0.292 426 G HA3 -0.361 3.598 3.960 -0.002 0.000 0.292 426 G C 0.783 175.642 174.900 -0.069 0.000 1.203 426 G CA 0.516 45.430 45.100 -0.309 0.000 0.987 426 G HN 0.732 nan 8.290 nan 0.000 0.554 427 K N 0.582 120.976 120.400 -0.009 0.000 2.400 427 K HA 0.267 4.586 4.320 -0.002 0.000 0.194 427 K C 1.037 177.764 176.600 0.212 0.000 1.033 427 K CA 0.555 56.904 56.287 0.103 0.000 1.021 427 K CB 0.189 32.768 32.500 0.131 0.000 0.808 427 K HN 0.241 nan 8.250 nan 0.000 0.505 428 S N 1.320 117.123 115.700 0.171 0.000 2.505 428 S HA 0.192 4.661 4.470 -0.002 0.000 0.276 428 S C -0.419 174.304 174.600 0.206 0.000 1.274 428 S CA -0.422 57.896 58.200 0.196 0.000 1.053 428 S CB 1.353 64.657 63.200 0.173 0.000 0.919 428 S HN -0.032 nan 8.310 nan 0.000 0.490 429 V N 2.347 122.390 119.914 0.215 0.000 3.001 429 V HA 0.938 5.057 4.120 -0.002 0.000 0.314 429 V C -0.938 175.222 176.094 0.110 0.000 1.099 429 V CA -0.573 61.817 62.300 0.149 0.000 0.989 429 V CB 2.133 34.025 31.823 0.115 0.000 1.040 429 V HN 0.941 nan 8.190 nan 0.000 0.434 430 A N 3.959 126.817 122.820 0.063 0.000 2.459 430 A HA 0.819 5.138 4.320 -0.002 0.000 0.296 430 A C -1.708 175.863 177.584 -0.022 0.000 1.039 430 A CA -0.418 51.630 52.037 0.018 0.000 0.698 430 A CB 1.925 20.925 19.000 0.000 0.000 1.261 430 A HN 0.841 nan 8.150 nan 0.000 0.405 431 V N 2.615 122.506 119.914 -0.038 0.000 2.487 431 V HA 0.594 4.713 4.120 -0.002 0.000 0.298 431 V C -0.604 175.348 176.094 -0.236 0.000 1.028 431 V CA -0.495 61.767 62.300 -0.064 0.000 0.860 431 V CB 1.774 33.674 31.823 0.129 0.000 0.991 431 V HN 0.740 nan 8.190 nan 0.000 0.427 432 V N 3.664 123.276 119.914 -0.504 0.000 2.487 432 V HA 0.865 4.984 4.120 -0.002 0.000 0.298 432 V C 0.087 175.865 176.094 -0.527 0.000 1.028 432 V CA -0.560 61.352 62.300 -0.646 0.000 0.860 432 V CB 1.809 33.140 31.823 -0.821 0.000 0.991 432 V HN 0.978 nan 8.190 nan 0.000 0.427 433 A N 4.573 127.191 122.820 -0.336 0.000 2.330 433 A HA 0.912 5.230 4.320 -0.002 0.000 0.313 433 A C -0.973 176.626 177.584 0.024 0.000 1.124 433 A CA -0.538 51.466 52.037 -0.056 0.000 0.774 433 A CB 1.581 20.679 19.000 0.163 0.000 1.198 433 A HN 0.720 nan 8.150 nan 0.000 0.465 434 V N 2.349 122.362 119.914 0.165 0.000 2.656 434 V HA 0.488 4.607 4.120 -0.002 0.000 0.307 434 V C -0.596 175.640 176.094 0.235 0.000 1.051 434 V CA -0.830 61.610 62.300 0.234 0.000 0.893 434 V CB 2.072 34.138 31.823 0.405 0.000 0.999 434 V HN 0.882 nan 8.190 nan 0.000 0.426 435 N N 2.971 121.789 118.700 0.196 0.000 2.626 435 N HA 0.282 5.021 4.740 -0.002 0.000 0.249 435 N C 1.004 176.618 175.510 0.173 0.000 1.021 435 N CA -0.756 52.390 53.050 0.161 0.000 0.886 435 N CB 1.200 39.757 38.487 0.117 0.000 1.149 435 N HN 0.718 nan 8.380 nan 0.000 0.517 436 R N 1.954 122.558 120.500 0.173 0.000 2.280 436 R HA 0.017 4.356 4.340 -0.002 0.000 0.207 436 R C 0.226 176.598 176.300 0.120 0.000 1.043 436 R CA 0.198 56.406 56.100 0.180 0.000 1.006 436 R CB -0.169 30.178 30.300 0.079 0.000 0.885 436 R HN 0.293 nan 8.270 nan 0.000 0.467 437 N N 1.600 120.355 118.700 0.091 0.000 2.468 437 N HA -0.030 4.708 4.740 -0.002 0.000 0.265 437 N C 0.568 176.124 175.510 0.077 0.000 1.199 437 N CA 0.106 53.199 53.050 0.072 0.000 0.928 437 N CB 0.960 39.484 38.487 0.061 0.000 1.059 437 N HN 0.255 nan 8.380 nan 0.000 0.467 438 L N 2.381 123.646 121.223 0.070 0.000 2.418 438 L HA -0.037 4.301 4.340 -0.002 0.000 0.218 438 L C 1.962 178.864 176.870 0.053 0.000 1.125 438 L CA 0.476 55.356 54.840 0.067 0.000 0.835 438 L CB -0.101 41.997 42.059 0.065 0.000 0.953 438 L HN 0.592 nan 8.230 nan 0.000 0.454 439 S N -2.401 113.327 115.700 0.047 0.000 2.514 439 S HA 0.076 4.544 4.470 -0.002 0.000 0.223 439 S C 0.910 175.533 174.600 0.038 0.000 1.046 439 S CA 0.058 58.281 58.200 0.039 0.000 0.914 439 S CB 0.016 63.236 63.200 0.033 0.000 0.807 439 S HN 0.321 nan 8.310 nan 0.000 0.497 440 T N 1.622 116.201 114.554 0.042 0.000 2.863 440 T HA 0.714 5.063 4.350 -0.002 0.000 0.285 440 T C -0.070 174.655 174.700 0.042 0.000 1.009 440 T CA -0.456 61.668 62.100 0.039 0.000 0.989 440 T CB 1.768 70.658 68.868 0.036 0.000 1.004 440 T HN 0.325 nan 8.240 nan 0.000 0.455 441 S N 1.482 117.203 115.700 0.035 0.000 2.655 441 S HA 0.765 5.233 4.470 -0.002 0.000 0.265 441 S C 0.022 174.630 174.600 0.013 0.000 1.240 441 S CA -0.850 57.368 58.200 0.029 0.000 0.986 441 S CB 0.596 63.812 63.200 0.027 0.000 0.985 441 S HN 1.457 nan 8.310 nan 0.000 0.562 442 A N 0.857 123.666 122.820 -0.019 0.000 2.359 442 A HA 0.665 4.984 4.320 -0.002 0.000 0.303 442 A C -0.323 177.159 177.584 -0.169 0.000 1.066 442 A CA -0.809 51.190 52.037 -0.062 0.000 0.730 442 A CB 1.219 20.181 19.000 -0.064 0.000 1.211 442 A HN 0.722 nan 8.150 nan 0.000 0.439 443 S N 2.916 118.529 115.700 -0.145 0.000 2.439 443 S HA 0.438 4.906 4.470 -0.002 0.000 0.282 443 S C 0.039 174.426 174.600 -0.355 0.000 1.170 443 S CA -0.391 57.677 58.200 -0.220 0.000 1.054 443 S CB 0.098 63.237 63.200 -0.103 0.000 0.956 443 S HN 0.496 nan 8.310 nan 0.000 0.490 444 I N 4.123 124.281 120.570 -0.686 0.000 2.353 444 I HA 0.416 4.584 4.170 -0.002 0.000 0.293 444 I C 0.671 176.492 176.117 -0.495 0.000 0.992 444 I CA -0.407 60.353 61.300 -0.901 0.000 1.268 444 I CB 0.626 37.734 38.000 -1.488 0.000 1.387 444 I HN 0.643 nan 8.210 nan 0.000 0.478 445 T N 0.172 114.629 114.554 -0.161 0.000 2.952 445 T HA 0.633 4.982 4.350 -0.002 0.000 0.305 445 T C 0.445 175.246 174.700 0.168 0.000 1.064 445 T CA -0.245 61.861 62.100 0.010 0.000 1.008 445 T CB 1.842 70.743 68.868 0.056 0.000 1.078 445 T HN 1.106 nan 8.240 nan 0.000 0.459 446 G N 1.036 109.906 108.800 0.116 0.000 2.136 446 G HA2 -0.177 3.781 3.960 -0.002 0.000 0.242 446 G HA3 -0.177 3.781 3.960 -0.002 0.000 0.242 446 G C -0.143 174.874 174.900 0.194 0.000 0.989 446 G CA 0.005 45.195 45.100 0.150 0.000 0.682 446 G HN 1.173 nan 8.290 nan 0.000 0.522 447 L N 1.753 123.072 121.223 0.160 0.000 2.410 447 L HA 0.699 5.038 4.340 -0.002 0.000 0.273 447 L C 0.221 177.154 176.870 0.105 0.000 1.152 447 L CA 0.121 55.065 54.840 0.174 0.000 0.855 447 L CB 1.194 43.307 42.059 0.090 0.000 1.129 447 L HN 0.147 nan 8.230 nan 0.000 0.463 448 S N 2.787 118.552 115.700 0.108 0.000 2.513 448 S HA 0.862 5.330 4.470 -0.002 0.000 0.299 448 S C -0.300 174.325 174.600 0.042 0.000 1.087 448 S CA -0.308 57.925 58.200 0.056 0.000 1.012 448 S CB 1.786 65.020 63.200 0.057 0.000 1.044 448 S HN 0.902 nan 8.310 nan 0.000 0.485 449 T N -1.507 113.046 114.554 -0.001 0.000 2.696 449 T HA 0.534 4.883 4.350 -0.002 0.000 0.291 449 T C 0.170 174.853 174.700 -0.029 0.000 1.095 449 T CA -0.712 61.379 62.100 -0.015 0.000 1.026 449 T CB 1.159 69.990 68.868 -0.063 0.000 1.390 449 T HN 0.233 nan 8.240 nan 0.000 0.513 450 S N -0.144 115.536 115.700 -0.033 0.000 2.557 450 S HA 0.319 4.788 4.470 -0.002 0.000 0.223 450 S C 0.504 175.052 174.600 -0.087 0.000 0.969 450 S CA -0.482 57.696 58.200 -0.036 0.000 0.927 450 S CB -0.615 62.584 63.200 -0.001 0.000 0.806 450 S HN 0.471 nan 8.310 nan 0.000 0.489 451 L N 4.249 125.388 121.223 -0.140 0.000 2.462 451 L HA 0.175 4.514 4.340 -0.002 0.000 0.272 451 L C -1.877 174.886 176.870 -0.179 0.000 1.166 451 L CA -1.531 53.165 54.840 -0.240 0.000 0.880 451 L CB 0.143 41.902 42.059 -0.501 0.000 1.142 451 L HN 0.028 nan 8.230 nan 0.000 0.473 452 P HA 0.024 nan 4.420 nan 0.000 0.272 452 P C -0.376 176.921 177.300 -0.005 0.000 1.254 452 P CA -0.473 62.519 63.100 -0.180 0.000 0.795 452 P CB 0.248 31.702 31.700 -0.410 0.000 1.022 453 T N 0.088 114.629 114.554 -0.021 0.000 2.902 453 T HA 0.454 4.803 4.350 -0.002 0.000 0.301 453 T C 0.601 175.312 174.700 0.019 0.000 1.012 453 T CA 1.055 63.164 62.100 0.015 0.000 1.151 453 T CB -0.275 68.584 68.868 -0.015 0.000 0.946 453 T HN 0.831 nan 8.240 nan 0.000 0.542 454 G N 1.530 110.346 108.800 0.026 0.000 2.337 454 G HA2 0.426 4.384 3.960 -0.002 0.000 0.298 454 G HA3 0.426 4.384 3.960 -0.002 0.000 0.298 454 G C -1.036 173.767 174.900 -0.161 0.000 1.335 454 G CA -0.532 44.487 45.100 -0.134 0.000 0.875 454 G HN 0.928 nan 8.290 nan 0.000 0.579 455 S N -0.716 114.800 115.700 -0.308 0.000 2.454 455 S HA 0.788 5.257 4.470 -0.002 0.000 0.306 455 S C -1.232 173.147 174.600 -0.367 0.000 1.100 455 S CA -0.706 57.373 58.200 -0.202 0.000 1.087 455 S CB 1.450 64.576 63.200 -0.123 0.000 1.019 455 S HN 0.663 nan 8.310 nan 0.000 0.480 456 Y N 0.955 121.195 120.300 -0.101 0.000 2.377 456 Y HA 0.521 5.070 4.550 -0.002 0.000 0.339 456 Y C 0.824 176.761 175.900 0.061 0.000 1.011 456 Y CA -0.764 57.327 58.100 -0.015 0.000 1.093 456 Y CB 1.906 40.355 38.460 -0.018 0.000 1.201 456 Y HN 0.642 nan 8.280 nan 0.000 0.455 457 T N 1.542 116.258 114.554 0.271 0.000 2.907 457 T HA 0.120 4.469 4.350 -0.002 0.000 0.284 457 T C -0.725 174.173 174.700 0.330 0.000 1.004 457 T CA -0.796 61.446 62.100 0.237 0.000 1.063 457 T CB 0.805 69.743 68.868 0.116 0.000 0.992 457 T HN 0.518 nan 8.240 nan 0.000 0.483 458 D N 1.740 122.285 120.400 0.240 0.000 2.382 458 D HA 0.034 4.673 4.640 -0.002 0.000 0.259 458 D C 1.141 177.427 176.300 -0.023 0.000 1.224 458 D CA -0.125 53.888 54.000 0.021 0.000 0.894 458 D CB 0.590 41.392 40.800 0.004 0.000 1.127 458 D HN 0.171 nan 8.370 nan 0.000 0.487 459 V N 4.375 124.236 119.914 -0.088 0.000 2.568 459 V HA -0.223 3.895 4.120 -0.002 0.000 0.253 459 V C 2.123 178.183 176.094 -0.057 0.000 1.072 459 V CA 1.367 63.633 62.300 -0.057 0.000 1.084 459 V CB -0.482 31.291 31.823 -0.084 0.000 0.676 459 V HN 0.663 nan 8.190 nan 0.000 0.469 460 L N 0.229 121.402 121.223 -0.083 0.000 2.599 460 L HA 0.233 4.572 4.340 -0.002 0.000 0.230 460 L C 1.759 178.616 176.870 -0.021 0.000 1.141 460 L CA 0.752 55.559 54.840 -0.055 0.000 0.877 460 L CB -0.637 41.379 42.059 -0.072 0.000 1.009 460 L HN 0.513 nan 8.230 nan 0.000 0.447 461 G N 0.191 108.985 108.800 -0.010 0.000 2.258 461 G HA2 -0.276 3.683 3.960 -0.002 0.000 0.274 461 G HA3 -0.276 3.683 3.960 -0.002 0.000 0.274 461 G C 1.021 175.930 174.900 0.015 0.000 1.021 461 G CA 0.401 45.506 45.100 0.010 0.000 0.798 461 G HN 0.675 nan 8.290 nan 0.000 0.507 462 G N -2.389 106.418 108.800 0.011 0.000 2.168 462 G HA2 -0.137 3.821 3.960 -0.002 0.000 0.263 462 G HA3 -0.137 3.821 3.960 -0.002 0.000 0.263 462 G C 1.768 176.681 174.900 0.021 0.000 0.977 462 G CA 1.808 46.921 45.100 0.021 0.000 0.659 462 G HN 2.194 nan 8.290 nan 0.000 0.533 463 V N -2.029 117.895 119.914 0.017 0.000 2.867 463 V HA 0.281 4.400 4.120 -0.002 0.000 0.260 463 V C 1.687 177.800 176.094 0.031 0.000 1.099 463 V CA 1.925 64.241 62.300 0.027 0.000 1.122 463 V CB -0.232 31.610 31.823 0.032 0.000 0.708 463 V HN 0.444 nan 8.190 nan 0.000 0.490 464 L N 1.484 122.719 121.223 0.021 0.000 3.168 464 L HA 0.454 4.792 4.340 -0.002 0.000 0.277 464 L C 0.252 177.142 176.870 0.032 0.000 1.308 464 L CA -0.327 54.531 54.840 0.028 0.000 0.976 464 L CB -0.292 41.776 42.059 0.016 0.000 1.383 464 L HN 0.367 nan 8.230 nan 0.000 0.572 465 N N 0.568 119.291 118.700 0.038 0.000 2.721 465 N HA -0.158 4.580 4.740 -0.002 0.000 0.249 465 N C 0.549 176.094 175.510 0.058 0.000 1.072 465 N CA 0.999 54.079 53.050 0.049 0.000 0.710 465 N CB -1.012 37.509 38.487 0.057 0.000 0.993 465 N HN 0.605 nan 8.380 nan 0.000 0.547 466 G N 0.230 109.053 108.800 0.037 0.000 2.562 466 G HA2 0.442 4.400 3.960 -0.002 0.000 0.275 466 G HA3 0.442 4.400 3.960 -0.002 0.000 0.275 466 G C 0.475 175.433 174.900 0.098 0.000 1.196 466 G CA -0.350 44.775 45.100 0.041 0.000 0.908 466 G HN 0.486 nan 8.290 nan 0.000 0.524 467 N N -0.771 118.036 118.700 0.178 0.000 3.038 467 N HA 0.289 5.027 4.740 -0.002 0.000 0.307 467 N C -1.307 174.366 175.510 0.270 0.000 1.441 467 N CA -0.907 52.247 53.050 0.173 0.000 0.772 467 N CB 1.333 39.901 38.487 0.136 0.000 1.651 467 N HN 0.365 nan 8.380 nan 0.000 0.593 468 N N -0.216 118.545 118.700 0.101 0.000 2.443 468 N HA 0.580 5.319 4.740 -0.002 0.000 0.293 468 N C -0.341 175.002 175.510 -0.279 0.000 1.159 468 N CA -0.424 52.645 53.050 0.032 0.000 0.904 468 N CB 1.940 40.446 38.487 0.032 0.000 1.214 468 N HN 0.587 nan 8.380 nan 0.000 0.513 469 I N -2.996 117.282 120.570 -0.486 0.000 3.206 469 I HA 0.680 4.849 4.170 -0.002 0.000 0.313 469 I C -0.636 175.311 176.117 -0.283 0.000 1.103 469 I CA -0.772 60.161 61.300 -0.611 0.000 0.985 469 I CB 2.334 39.612 38.000 -1.203 0.000 1.240 469 I HN 0.117 nan 8.210 nan 0.000 0.464 470 T N 1.372 115.797 114.554 -0.215 0.000 2.879 470 T HA 0.399 4.747 4.350 -0.002 0.000 0.290 470 T C -0.698 173.964 174.700 -0.064 0.000 0.993 470 T CA -0.505 61.548 62.100 -0.078 0.000 0.975 470 T CB 1.465 70.294 68.868 -0.065 0.000 0.981 470 T HN 0.700 nan 8.240 nan 0.000 0.439 471 S N 1.883 117.597 115.700 0.025 0.000 2.509 471 S HA 0.661 5.129 4.470 -0.002 0.000 0.297 471 S C -0.370 174.234 174.600 0.008 0.000 1.118 471 S CA -0.514 57.686 58.200 -0.000 0.000 1.074 471 S CB 0.633 63.850 63.200 0.028 0.000 1.038 471 S HN 0.670 nan 8.310 nan 0.000 0.498 472 T N 4.169 118.715 114.554 -0.013 0.000 3.226 472 T HA 0.390 4.738 4.350 -0.002 0.000 0.378 472 T C -0.420 174.270 174.700 -0.015 0.000 1.380 472 T CA -0.630 61.463 62.100 -0.011 0.000 1.396 472 T CB -0.635 68.226 68.868 -0.011 0.000 1.044 472 T HN 0.860 nan 8.240 nan 0.000 0.586 473 N N 1.761 120.449 118.700 -0.020 0.000 2.756 473 N HA -0.200 4.538 4.740 -0.002 0.000 0.248 473 N C 1.225 176.717 175.510 -0.030 0.000 1.062 473 N CA 0.950 53.984 53.050 -0.028 0.000 0.696 473 N CB -1.119 37.356 38.487 -0.020 0.000 0.946 473 N HN 1.055 nan 8.380 nan 0.000 0.548 474 G N -1.905 106.869 108.800 -0.043 0.000 2.358 474 G HA2 -0.338 3.621 3.960 -0.002 0.000 0.224 474 G HA3 -0.338 3.621 3.960 -0.002 0.000 0.224 474 G C 0.196 175.074 174.900 -0.037 0.000 1.073 474 G CA 0.158 45.229 45.100 -0.047 0.000 0.635 474 G HN 0.511 nan 8.290 nan 0.000 0.509 475 S N 2.718 118.406 115.700 -0.020 0.000 2.457 475 S HA 0.472 4.941 4.470 -0.002 0.000 0.294 475 S C 0.689 175.275 174.600 -0.023 0.000 1.201 475 S CA -0.162 58.033 58.200 -0.007 0.000 1.112 475 S CB 0.202 63.405 63.200 0.004 0.000 1.018 475 S HN 0.367 nan 8.310 nan 0.000 0.511 476 I N 3.931 124.484 120.570 -0.028 0.000 2.474 476 I HA 0.141 4.310 4.170 -0.002 0.000 0.287 476 I C 0.937 177.055 176.117 0.001 0.000 1.048 476 I CA -0.312 60.953 61.300 -0.059 0.000 1.383 476 I CB 0.068 38.010 38.000 -0.097 0.000 1.412 476 I HN 0.546 nan 8.210 nan 0.000 0.531 477 N N 4.818 123.512 118.700 -0.010 0.000 2.508 477 N HA 0.052 4.791 4.740 -0.002 0.000 0.264 477 N C -0.104 175.472 175.510 0.110 0.000 1.216 477 N CA -0.511 52.556 53.050 0.027 0.000 0.943 477 N CB 0.443 38.931 38.487 0.003 0.000 1.113 477 N HN 0.463 nan 8.380 nan 0.000 0.447 478 N N 1.361 120.105 118.700 0.073 0.000 2.353 478 N HA 0.061 4.800 4.740 -0.002 0.000 0.248 478 N C -0.810 174.783 175.510 0.139 0.000 1.240 478 N CA 0.639 53.715 53.050 0.042 0.000 0.862 478 N CB -0.002 38.477 38.487 -0.012 0.000 1.086 478 N HN 0.399 nan 8.380 nan 0.000 0.453 479 F N -2.401 117.491 119.950 -0.098 0.000 2.789 479 F HA 0.611 5.137 4.527 -0.002 0.000 0.319 479 F C -0.657 175.099 175.800 -0.074 0.000 1.168 479 F CA -1.083 56.869 58.000 -0.081 0.000 0.934 479 F CB 0.958 39.899 39.000 -0.098 0.000 1.375 479 F HN 0.068 nan 8.300 nan 0.000 0.480 480 T N 2.514 117.133 114.554 0.109 0.000 2.792 480 T HA 0.538 4.887 4.350 -0.002 0.000 0.280 480 T C -1.466 173.327 174.700 0.155 0.000 0.990 480 T CA -0.317 61.773 62.100 -0.016 0.000 0.960 480 T CB 1.394 70.275 68.868 0.022 0.000 0.939 480 T HN 0.682 nan 8.240 nan 0.000 0.439 481 L N 4.445 125.688 121.223 0.033 0.000 2.259 481 L HA 0.683 5.022 4.340 -0.002 0.000 0.288 481 L C 0.614 177.537 176.870 0.089 0.000 1.051 481 L CA -0.386 54.547 54.840 0.154 0.000 0.824 481 L CB -0.322 41.796 42.059 0.098 0.000 1.206 481 L HN 0.813 nan 8.230 nan 0.000 0.429 482 A N 4.243 127.128 122.820 0.108 0.000 2.504 482 A HA 0.519 4.838 4.320 -0.002 0.000 0.242 482 A C 0.613 178.240 177.584 0.073 0.000 1.100 482 A CA 0.251 52.335 52.037 0.079 0.000 0.786 482 A CB -0.161 18.886 19.000 0.080 0.000 1.050 482 A HN 1.073 nan 8.150 nan 0.000 0.512 483 A N -0.295 122.563 122.820 0.063 0.000 2.498 483 A HA 0.479 4.797 4.320 -0.002 0.000 0.239 483 A C 1.636 179.265 177.584 0.076 0.000 1.068 483 A CA 0.648 52.725 52.037 0.065 0.000 0.766 483 A CB -0.938 18.095 19.000 0.056 0.000 1.003 483 A HN 2.760 nan 8.150 nan 0.000 0.497 484 G N 0.450 109.304 108.800 0.089 0.000 2.269 484 G HA2 0.103 4.061 3.960 -0.002 0.000 0.277 484 G HA3 0.103 4.061 3.960 -0.002 0.000 0.277 484 G C 0.560 175.519 174.900 0.098 0.000 1.008 484 G CA 0.895 46.057 45.100 0.103 0.000 0.774 484 G HN 2.071 nan 8.290 nan 0.000 0.511 485 A N -0.967 121.911 122.820 0.096 0.000 2.286 485 A HA 0.935 5.254 4.320 -0.002 0.000 0.286 485 A C 0.566 178.199 177.584 0.082 0.000 1.097 485 A CA 0.740 52.828 52.037 0.085 0.000 0.821 485 A CB 1.362 20.420 19.000 0.096 0.000 1.076 485 A HN 1.858 nan 8.150 nan 0.000 0.490 486 T N -1.083 113.493 114.554 0.036 0.000 3.291 486 T HA 0.627 4.975 4.350 -0.002 0.000 0.344 486 T C -0.998 173.625 174.700 -0.127 0.000 1.293 486 T CA 0.309 62.400 62.100 -0.015 0.000 1.108 486 T CB 0.822 69.702 68.868 0.021 0.000 1.231 486 T HN 2.141 nan 8.240 nan 0.000 0.474 487 A N 3.147 125.785 122.820 -0.303 0.000 2.539 487 A HA 0.877 5.195 4.320 -0.002 0.000 0.296 487 A C -1.310 175.717 177.584 -0.929 0.000 1.073 487 A CA -0.731 50.956 52.037 -0.584 0.000 0.700 487 A CB 2.154 20.761 19.000 -0.655 0.000 1.296 487 A HN 1.061 nan 8.150 nan 0.000 0.405 488 V N 1.868 121.236 119.914 -0.909 0.000 2.483 488 V HA 0.534 4.653 4.120 -0.002 0.000 0.297 488 V C -1.156 174.492 176.094 -0.743 0.000 1.027 488 V CA -0.507 61.341 62.300 -0.754 0.000 0.855 488 V CB 1.337 32.942 31.823 -0.363 0.000 0.995 488 V HN 0.810 nan 8.190 nan 0.000 0.424 489 W N 3.920 125.160 121.300 -0.099 0.000 2.736 489 W HA 0.777 5.435 4.660 -0.002 0.000 0.335 489 W C -0.260 176.213 176.519 -0.076 0.000 1.059 489 W CA -0.683 56.620 57.345 -0.070 0.000 1.226 489 W CB 2.105 31.470 29.460 -0.159 0.000 1.416 489 W HN 0.720 nan 8.180 nan 0.000 0.505 490 Q N 1.121 121.059 119.800 0.229 0.000 2.482 490 Q HA 0.638 4.976 4.340 -0.002 0.000 0.286 490 Q C -2.167 174.018 176.000 0.309 0.000 1.007 490 Q CA -1.119 54.784 55.803 0.167 0.000 0.801 490 Q CB 3.209 31.998 28.738 0.085 0.000 1.455 490 Q HN 0.372 nan 8.270 nan 0.000 0.398 491 Y N 0.317 120.696 120.300 0.131 0.000 2.354 491 Y HA 0.640 5.188 4.550 -0.002 0.000 0.330 491 Y C -1.603 174.361 175.900 0.106 0.000 1.011 491 Y CA -0.248 57.961 58.100 0.180 0.000 1.099 491 Y CB 2.515 41.101 38.460 0.211 0.000 1.179 491 Y HN 0.828 nan 8.280 nan 0.000 0.442 492 T N 4.812 119.024 114.554 -0.570 0.000 2.863 492 T HA 0.612 4.960 4.350 -0.002 0.000 0.285 492 T C -1.025 173.320 174.700 -0.592 0.000 1.009 492 T CA -0.494 61.362 62.100 -0.407 0.000 0.989 492 T CB 1.711 70.472 68.868 -0.180 0.000 1.004 492 T HN 0.687 nan 8.240 nan 0.000 0.455 493 T N 0.899 115.267 114.554 -0.310 0.000 2.821 493 T HA 0.669 5.018 4.350 -0.002 0.000 0.306 493 T C -1.234 173.430 174.700 -0.059 0.000 1.313 493 T CA -0.471 61.522 62.100 -0.179 0.000 1.012 493 T CB 1.185 70.022 68.868 -0.052 0.000 1.298 493 T HN 0.775 nan 8.240 nan 0.000 0.502 494 A N 2.260 125.060 122.820 -0.033 0.000 2.450 494 A HA 0.570 4.888 4.320 -0.002 0.000 0.255 494 A C 0.096 177.672 177.584 -0.013 0.000 1.096 494 A CA -0.089 51.936 52.037 -0.020 0.000 0.778 494 A CB 0.072 19.062 19.000 -0.016 0.000 1.031 494 A HN 0.695 nan 8.150 nan 0.000 0.494 495 E N 0.868 121.051 120.200 -0.028 0.000 2.338 495 E HA 0.313 4.662 4.350 -0.002 0.000 0.272 495 E C 0.922 177.499 176.600 -0.038 0.000 1.029 495 E CA 0.469 56.839 56.400 -0.049 0.000 0.872 495 E CB 1.219 30.860 29.700 -0.098 0.000 1.015 495 E HN 0.595 nan 8.360 nan 0.000 0.417 496 T N 1.552 116.091 114.554 -0.026 0.000 3.023 496 T HA 0.098 4.446 4.350 -0.002 0.000 0.249 496 T C 0.229 174.933 174.700 0.008 0.000 1.050 496 T CA 0.866 62.963 62.100 -0.004 0.000 1.088 496 T CB 0.102 68.974 68.868 0.006 0.000 0.946 496 T HN 0.609 nan 8.240 nan 0.000 0.480 497 T N 1.940 116.490 114.554 -0.007 0.000 2.918 497 T HA 0.613 4.962 4.350 -0.002 0.000 0.286 497 T C -3.038 171.677 174.700 0.024 0.000 1.026 497 T CA -2.164 59.949 62.100 0.021 0.000 1.031 497 T CB 1.622 70.496 68.868 0.010 0.000 1.046 497 T HN -0.069 nan 8.240 nan 0.000 0.479 498 P HA 0.198 nan 4.420 nan 0.000 0.267 498 P C -0.486 176.891 177.300 0.128 0.000 1.209 498 P CA 0.263 63.499 63.100 0.226 0.000 0.763 498 P CB 0.481 32.377 31.700 0.326 0.000 0.816 499 T N 4.280 118.876 114.554 0.070 0.000 3.355 499 T HA 0.362 4.711 4.350 -0.002 0.000 0.324 499 T C -0.235 174.532 174.700 0.112 0.000 0.932 499 T CA -0.651 61.447 62.100 -0.002 0.000 1.032 499 T CB -0.200 68.511 68.868 -0.262 0.000 1.027 499 T HN 0.130 nan 8.240 nan 0.000 0.456 500 I N 4.329 125.048 120.570 0.248 0.000 2.598 500 I HA 0.313 4.482 4.170 -0.002 0.000 0.284 500 I C 1.569 177.846 176.117 0.266 0.000 1.140 500 I CA 0.315 61.770 61.300 0.258 0.000 1.420 500 I CB 1.073 39.173 38.000 0.168 0.000 1.387 500 I HN 0.853 nan 8.210 nan 0.000 0.553 501 G N 5.043 113.822 108.800 -0.034 0.000 2.743 501 G HA2 0.044 4.003 3.960 -0.002 0.000 0.206 501 G HA3 0.044 4.003 3.960 -0.002 0.000 0.206 501 G C 0.308 175.214 174.900 0.010 0.000 1.115 501 G CA 0.282 45.195 45.100 -0.312 0.000 0.782 501 G HN 0.661 nan 8.290 nan 0.000 0.524 502 H N -1.176 117.738 119.070 -0.260 0.000 3.037 502 H HA 0.495 5.049 4.556 -0.002 0.000 0.336 502 H C -2.180 172.850 175.328 -0.496 0.000 1.323 502 H CA -0.324 55.591 56.048 -0.222 0.000 1.159 502 H CB 2.275 32.077 29.762 0.066 0.000 1.882 502 H HN -0.088 nan 8.280 nan 0.000 0.535 503 V N 1.908 121.076 119.914 -1.243 0.000 2.668 503 V HA 0.596 4.714 4.120 -0.002 0.000 0.304 503 V C -0.019 175.708 176.094 -0.612 0.000 1.071 503 V CA -0.256 61.580 62.300 -0.773 0.000 0.894 503 V CB 1.650 33.007 31.823 -0.777 0.000 1.008 503 V HN 0.882 nan 8.190 nan 0.000 0.425 504 G N 5.154 113.830 108.800 -0.207 0.000 2.740 504 G HA2 0.772 4.731 3.960 -0.002 0.000 0.296 504 G HA3 0.772 4.731 3.960 -0.002 0.000 0.296 504 G C -3.252 171.629 174.900 -0.032 0.000 1.439 504 G CA -1.263 43.822 45.100 -0.026 0.000 1.066 504 G HN 0.480 nan 8.290 nan 0.000 0.527 505 P HA 0.283 nan 4.420 nan 0.000 0.282 505 P C 0.769 177.961 177.300 -0.180 0.000 1.287 505 P CA -0.353 62.550 63.100 -0.329 0.000 0.792 505 P CB 1.717 32.736 31.700 -1.136 0.000 1.163 506 V N -3.640 116.117 119.914 -0.261 0.000 3.099 506 V HA 0.491 4.609 4.120 -0.002 0.000 0.356 506 V C 0.451 176.031 176.094 -0.855 0.000 1.364 506 V CA 0.159 62.208 62.300 -0.418 0.000 1.229 506 V CB -0.875 30.876 31.823 -0.120 0.000 1.227 506 V HN 0.438 nan 8.190 nan 0.000 0.493 507 M N 0.683 119.881 119.600 -0.670 0.000 2.413 507 M HA 0.778 5.257 4.480 -0.002 0.000 0.287 507 M C -0.586 175.580 176.300 -0.224 0.000 1.186 507 M CA 0.146 55.177 55.300 -0.449 0.000 0.927 507 M CB 2.251 34.762 32.600 -0.148 0.000 1.715 507 M HN 0.443 nan 8.290 nan 0.000 0.478 508 G N 2.806 111.550 108.800 -0.093 0.000 2.356 508 G HA2 0.368 4.327 3.960 -0.002 0.000 0.294 508 G HA3 0.368 4.327 3.960 -0.002 0.000 0.294 508 G C -2.456 172.473 174.900 0.049 0.000 1.423 508 G CA -0.950 44.171 45.100 0.036 0.000 0.806 508 G HN 0.888 nan 8.290 nan 0.000 0.527 509 K N -0.409 120.014 120.400 0.039 0.000 2.166 509 K HA 0.760 5.079 4.320 -0.002 0.000 0.245 509 K C -2.824 173.769 176.600 -0.012 0.000 0.967 509 K CA -1.821 54.477 56.287 0.018 0.000 0.863 509 K CB 2.190 34.700 32.500 0.016 0.000 1.107 509 K HN 0.182 nan 8.250 nan 0.000 0.436 510 P HA -0.013 nan 4.420 nan 0.000 0.264 510 P C 0.422 177.685 177.300 -0.062 0.000 1.183 510 P CA 1.206 64.254 63.100 -0.087 0.000 0.763 510 P CB 0.692 32.343 31.700 -0.082 0.000 0.807 511 G N 1.721 110.472 108.800 -0.081 0.000 2.278 511 G HA2 -0.188 3.770 3.960 -0.002 0.000 0.210 511 G HA3 -0.188 3.770 3.960 -0.002 0.000 0.210 511 G C 0.438 175.315 174.900 -0.038 0.000 1.000 511 G CA -0.456 44.612 45.100 -0.053 0.000 0.635 511 G HN 0.501 nan 8.290 nan 0.000 0.495 512 N N 0.004 118.688 118.700 -0.027 0.000 2.347 512 N HA 0.536 5.275 4.740 -0.002 0.000 0.253 512 N C 0.013 175.514 175.510 -0.016 0.000 1.274 512 N CA 0.182 53.230 53.050 -0.004 0.000 0.941 512 N CB 1.199 39.704 38.487 0.029 0.000 1.200 512 N HN 0.249 nan 8.380 nan 0.000 0.514 513 V N 0.811 120.723 119.914 -0.004 0.000 2.448 513 V HA 0.436 4.554 4.120 -0.002 0.000 0.295 513 V C 0.136 176.232 176.094 0.004 0.000 1.025 513 V CA -0.805 61.489 62.300 -0.010 0.000 0.859 513 V CB 1.515 33.328 31.823 -0.018 0.000 0.988 513 V HN 0.488 nan 8.190 nan 0.000 0.431 514 V N 1.938 121.858 119.914 0.009 0.000 3.019 514 V HA 0.824 4.942 4.120 -0.002 0.000 0.317 514 V C -0.172 175.901 176.094 -0.036 0.000 1.094 514 V CA -0.445 61.863 62.300 0.014 0.000 1.000 514 V CB 2.224 34.095 31.823 0.079 0.000 1.060 514 V HN 0.755 nan 8.190 nan 0.000 0.443 515 T N 3.545 118.071 114.554 -0.046 0.000 2.792 515 T HA 0.658 5.007 4.350 -0.002 0.000 0.280 515 T C -0.300 174.327 174.700 -0.123 0.000 0.990 515 T CA -0.044 62.016 62.100 -0.067 0.000 0.960 515 T CB 0.836 69.695 68.868 -0.015 0.000 0.939 515 T HN 0.637 nan 8.240 nan 0.000 0.439 516 I N 3.492 123.957 120.570 -0.175 0.000 2.371 516 I HA 0.310 4.479 4.170 -0.002 0.000 0.282 516 I C -0.470 175.601 176.117 -0.076 0.000 1.031 516 I CA -0.827 60.337 61.300 -0.227 0.000 1.180 516 I CB 0.968 38.735 38.000 -0.388 0.000 1.336 516 I HN 0.436 nan 8.210 nan 0.000 0.467 517 D N 5.180 125.549 120.400 -0.051 0.000 2.177 517 D HA 0.701 5.340 4.640 -0.002 0.000 0.247 517 D C 0.367 176.539 176.300 -0.214 0.000 1.063 517 D CA 0.129 54.096 54.000 -0.056 0.000 0.867 517 D CB 2.517 43.298 40.800 -0.032 0.000 1.168 517 D HN 0.772 nan 8.370 nan 0.000 0.445 518 G N 1.070 109.676 108.800 -0.324 0.000 2.474 518 G HA2 0.395 4.354 3.960 -0.002 0.000 0.234 518 G HA3 0.395 4.354 3.960 -0.002 0.000 0.234 518 G C -1.179 173.330 174.900 -0.652 0.000 1.204 518 G CA -0.609 44.179 45.100 -0.521 0.000 0.939 518 G HN 0.278 nan 8.290 nan 0.000 0.491 519 R N -1.121 118.936 120.500 -0.738 0.000 2.774 519 R HA 0.582 4.921 4.340 -0.002 0.000 0.272 519 R C 0.453 176.396 176.300 -0.594 0.000 1.000 519 R CA -0.093 55.695 56.100 -0.521 0.000 0.906 519 R CB 1.428 31.654 30.300 -0.124 0.000 1.227 519 R HN 2.102 nan 8.270 nan 0.000 0.468 520 G N 1.137 109.736 108.800 -0.334 0.000 2.198 520 G HA2 -0.275 3.683 3.960 -0.002 0.000 0.260 520 G HA3 -0.275 3.683 3.960 -0.002 0.000 0.260 520 G C 0.244 175.164 174.900 0.033 0.000 1.025 520 G CA 0.366 45.387 45.100 -0.131 0.000 0.769 520 G HN 0.446 nan 8.290 nan 0.000 0.507 521 F N 0.853 120.821 119.950 0.029 0.000 2.456 521 F HA 0.379 4.905 4.527 -0.002 0.000 0.298 521 F C 2.058 178.059 175.800 0.335 0.000 1.104 521 F CA 0.876 58.931 58.000 0.093 0.000 1.435 521 F CB -0.665 38.208 39.000 -0.211 0.000 1.078 521 F HN 1.073 nan 8.300 nan 0.000 0.546 522 G N -0.006 109.019 108.800 0.375 0.000 2.819 522 G HA2 -0.193 3.765 3.960 -0.002 0.000 0.682 522 G HA3 -0.193 3.765 3.960 -0.002 0.000 0.682 522 G C 0.658 175.818 174.900 0.433 0.000 1.481 522 G CA -0.036 45.251 45.100 0.311 0.000 0.904 522 G HN 0.429 nan 8.290 nan 0.000 0.563 523 S N -1.525 114.322 115.700 0.245 0.000 2.575 523 S HA 0.321 4.790 4.470 -0.002 0.000 0.215 523 S C 0.920 175.554 174.600 0.057 0.000 0.966 523 S CA 1.075 59.408 58.200 0.221 0.000 0.911 523 S CB 0.459 63.730 63.200 0.120 0.000 0.780 523 S HN 0.976 nan 8.310 nan 0.000 0.514 524 T N 3.360 117.863 114.554 -0.085 0.000 2.738 524 T HA 0.298 4.647 4.350 -0.002 0.000 0.298 524 T C -0.199 173.988 174.700 -0.855 0.000 0.962 524 T CA -0.513 61.402 62.100 -0.308 0.000 0.972 524 T CB 0.904 69.653 68.868 -0.199 0.000 0.928 524 T HN 0.377 nan 8.240 nan 0.000 0.474 525 K N 3.443 123.310 120.400 -0.888 0.000 2.367 525 K HA 0.164 4.482 4.320 -0.002 0.000 0.275 525 K C 0.985 176.867 176.600 -1.196 0.000 1.125 525 K CA -0.003 55.531 56.287 -1.256 0.000 1.133 525 K CB -0.293 31.917 32.500 -0.482 0.000 0.875 525 K HN 0.718 nan 8.250 nan 0.000 0.467 526 G N 2.151 109.761 108.800 -1.983 0.000 3.182 526 G HA2 0.213 4.172 3.960 -0.002 0.000 0.167 526 G HA3 0.213 4.172 3.960 -0.002 0.000 0.167 526 G C -0.659 173.968 174.900 -0.455 0.000 1.537 526 G CA -0.228 44.323 45.100 -0.916 0.000 1.046 526 G HN 0.593 nan 8.290 nan 0.000 0.580 527 T N -1.343 113.125 114.554 -0.144 0.000 2.900 527 T HA 0.540 4.889 4.350 -0.002 0.000 0.295 527 T C -1.239 173.388 174.700 -0.122 0.000 1.044 527 T CA -0.436 61.575 62.100 -0.149 0.000 0.995 527 T CB 1.644 70.333 68.868 -0.299 0.000 1.072 527 T HN 0.281 nan 8.240 nan 0.000 0.473 528 V N 4.606 124.400 119.914 -0.200 0.000 2.581 528 V HA 0.593 4.711 4.120 -0.002 0.000 0.303 528 V C -1.283 174.621 176.094 -0.316 0.000 1.041 528 V CA -0.686 61.490 62.300 -0.205 0.000 0.907 528 V CB 1.536 33.305 31.823 -0.091 0.000 0.994 528 V HN 0.879 nan 8.190 nan 0.000 0.442 529 Y N 3.079 123.293 120.300 -0.143 0.000 2.350 529 Y HA 0.597 5.146 4.550 -0.002 0.000 0.338 529 Y C -0.553 175.180 175.900 -0.279 0.000 0.961 529 Y CA -0.888 57.158 58.100 -0.090 0.000 1.100 529 Y CB 1.806 40.235 38.460 -0.050 0.000 1.179 529 Y HN 0.510 nan 8.280 nan 0.000 0.454 530 F N 2.768 122.766 119.950 0.080 0.000 2.310 530 F HA 0.528 5.053 4.527 -0.002 0.000 0.365 530 F C 0.952 176.848 175.800 0.161 0.000 1.080 530 F CA -0.172 57.813 58.000 -0.025 0.000 1.187 530 F CB 0.806 39.646 39.000 -0.267 0.000 1.465 530 F HN 0.792 nan 8.300 nan 0.000 0.496 531 G N 1.962 110.963 108.800 0.335 0.000 2.609 531 G HA2 -0.360 3.598 3.960 -0.002 0.000 0.288 531 G HA3 -0.360 3.598 3.960 -0.002 0.000 0.288 531 G C 1.073 176.091 174.900 0.197 0.000 1.211 531 G CA 0.541 45.840 45.100 0.332 0.000 0.963 531 G HN 0.390 nan 8.290 nan 0.000 0.541 532 T N 1.625 116.310 114.554 0.219 0.000 3.037 532 T HA 0.293 4.641 4.350 -0.002 0.000 0.252 532 T C 1.165 176.023 174.700 0.263 0.000 1.073 532 T CA 1.435 63.626 62.100 0.151 0.000 1.091 532 T CB 0.005 68.943 68.868 0.116 0.000 0.935 532 T HN 0.739 nan 8.240 nan 0.000 0.488 533 T N 3.296 118.017 114.554 0.278 0.000 2.853 533 T HA 0.524 4.873 4.350 -0.002 0.000 0.298 533 T C 0.205 175.076 174.700 0.283 0.000 0.978 533 T CA -0.509 61.731 62.100 0.234 0.000 1.152 533 T CB 0.760 69.708 68.868 0.132 0.000 0.914 533 T HN 0.296 nan 8.240 nan 0.000 0.539 534 A N 3.402 126.318 122.820 0.160 0.000 2.331 534 A HA 0.625 4.944 4.320 -0.002 0.000 0.283 534 A C -0.221 177.307 177.584 -0.093 0.000 1.142 534 A CA -0.639 51.323 52.037 -0.126 0.000 0.812 534 A CB 0.574 19.506 19.000 -0.113 0.000 1.074 534 A HN 0.693 nan 8.150 nan 0.000 0.497 535 V N 3.008 122.835 119.914 -0.144 0.000 2.407 535 V HA 0.618 4.736 4.120 -0.002 0.000 0.291 535 V C 0.219 176.261 176.094 -0.087 0.000 1.018 535 V CA 0.017 62.277 62.300 -0.066 0.000 0.842 535 V CB 1.247 33.084 31.823 0.023 0.000 0.996 535 V HN 1.183 nan 8.190 nan 0.000 0.426 536 T N 0.959 115.467 114.554 -0.077 0.000 2.864 536 T HA 0.890 5.239 4.350 -0.002 0.000 0.289 536 T C 0.580 175.244 174.700 -0.060 0.000 1.082 536 T CA 0.108 62.160 62.100 -0.079 0.000 1.009 536 T CB 1.790 70.597 68.868 -0.101 0.000 1.234 536 T HN 1.629 nan 8.240 nan 0.000 0.526 537 G N 1.151 109.909 108.800 -0.069 0.000 2.591 537 G HA2 -0.096 3.862 3.960 -0.002 0.000 0.298 537 G HA3 -0.096 3.862 3.960 -0.002 0.000 0.298 537 G C 1.300 176.179 174.900 -0.035 0.000 1.195 537 G CA 1.149 46.214 45.100 -0.058 0.000 0.989 537 G HN 1.849 nan 8.290 nan 0.000 0.551 538 A N -0.117 122.684 122.820 -0.032 0.000 2.019 538 A HA 0.342 4.660 4.320 -0.002 0.000 0.219 538 A C 2.930 180.501 177.584 -0.021 0.000 1.164 538 A CA 3.100 55.123 52.037 -0.024 0.000 0.644 538 A CB -0.886 18.099 19.000 -0.025 0.000 0.805 538 A HN 2.240 nan 8.150 nan 0.000 0.449 539 A N -0.385 122.419 122.820 -0.028 0.000 2.070 539 A HA 0.109 4.428 4.320 -0.002 0.000 0.220 539 A C 1.055 178.629 177.584 -0.016 0.000 1.159 539 A CA 0.664 52.681 52.037 -0.033 0.000 0.656 539 A CB -0.419 18.552 19.000 -0.049 0.000 0.800 539 A HN 0.462 nan 8.150 nan 0.000 0.453 540 I N 1.569 122.144 120.570 0.007 0.000 2.276 540 I HA 0.038 4.207 4.170 -0.002 0.000 0.290 540 I C 1.684 177.826 176.117 0.042 0.000 1.109 540 I CA 0.140 61.467 61.300 0.045 0.000 1.229 540 I CB 0.902 38.972 38.000 0.118 0.000 1.452 540 I HN 0.335 nan 8.210 nan 0.000 0.497 541 T N 0.483 115.048 114.554 0.019 0.000 2.929 541 T HA -0.085 4.263 4.350 -0.002 0.000 0.271 541 T C 0.794 175.512 174.700 0.031 0.000 1.085 541 T CA 0.642 62.750 62.100 0.013 0.000 1.125 541 T CB 0.097 68.963 68.868 -0.003 0.000 0.874 541 T HN 0.472 nan 8.240 nan 0.000 0.494 542 S N -0.680 115.051 115.700 0.052 0.000 2.537 542 S HA 0.500 4.968 4.470 -0.002 0.000 0.271 542 S C -2.588 172.096 174.600 0.140 0.000 1.148 542 S CA -0.963 57.283 58.200 0.075 0.000 0.868 542 S CB 1.555 64.771 63.200 0.028 0.000 1.115 542 S HN 0.477 nan 8.310 nan 0.000 0.461 543 W N 4.065 125.348 121.300 -0.028 0.000 3.211 543 W HA 0.560 5.219 4.660 -0.002 0.000 0.335 543 W C -1.402 175.128 176.519 0.018 0.000 1.113 543 W CA -0.453 56.879 57.345 -0.022 0.000 1.235 543 W CB 1.456 30.890 29.460 -0.043 0.000 1.365 543 W HN 0.895 nan 8.180 nan 0.000 0.476 544 E N 1.896 122.149 120.200 0.088 0.000 2.446 544 E HA 0.042 4.390 4.350 -0.002 0.000 0.276 544 E C -0.145 176.542 176.600 0.145 0.000 0.969 544 E CA -0.530 55.973 56.400 0.173 0.000 0.800 544 E CB 2.398 32.147 29.700 0.082 0.000 1.341 544 E HN 0.345 nan 8.360 nan 0.000 0.460 545 D N -0.259 120.230 120.400 0.149 0.000 2.221 545 D HA -0.145 4.493 4.640 -0.002 0.000 0.204 545 D C 1.426 177.657 176.300 -0.114 0.000 0.982 545 D CA 2.136 56.189 54.000 0.088 0.000 0.857 545 D CB 0.288 41.114 40.800 0.043 0.000 0.934 545 D HN 0.450 nan 8.370 nan 0.000 0.475 546 T N -3.864 110.641 114.554 -0.080 0.000 3.040 546 T HA 0.174 4.522 4.350 -0.002 0.000 0.266 546 T C 0.374 175.051 174.700 -0.039 0.000 1.005 546 T CA -0.591 61.395 62.100 -0.190 0.000 0.906 546 T CB 0.413 69.213 68.868 -0.115 0.000 1.082 546 T HN 0.134 nan 8.240 nan 0.000 0.531 547 Q N 0.285 120.144 119.800 0.097 0.000 2.378 547 Q HA 0.586 4.925 4.340 -0.002 0.000 0.262 547 Q C -2.245 173.687 176.000 -0.114 0.000 0.978 547 Q CA -0.770 55.059 55.803 0.043 0.000 0.918 547 Q CB 1.920 30.650 28.738 -0.015 0.000 1.415 547 Q HN 0.454 nan 8.270 nan 0.000 0.409 548 I N 3.036 123.453 120.570 -0.255 0.000 2.466 548 I HA 0.444 4.613 4.170 -0.002 0.000 0.289 548 I C -0.780 175.203 176.117 -0.223 0.000 1.026 548 I CA -0.783 60.280 61.300 -0.396 0.000 1.078 548 I CB 2.148 39.653 38.000 -0.824 0.000 1.249 548 I HN 0.402 nan 8.210 nan 0.000 0.429 549 K N 5.113 125.438 120.400 -0.124 0.000 2.265 549 K HA 0.680 4.998 4.320 -0.002 0.000 0.267 549 K C -1.153 175.415 176.600 -0.053 0.000 0.994 549 K CA -0.452 55.790 56.287 -0.075 0.000 0.860 549 K CB 2.468 34.944 32.500 -0.042 0.000 1.099 549 K HN 0.333 nan 8.250 nan 0.000 0.448 550 V N 2.138 122.023 119.914 -0.049 0.000 3.130 550 V HA 0.479 4.598 4.120 -0.002 0.000 0.310 550 V C -1.118 174.964 176.094 -0.021 0.000 1.158 550 V CA -0.407 61.882 62.300 -0.018 0.000 1.029 550 V CB 2.658 34.483 31.823 0.003 0.000 1.057 550 V HN 0.747 nan 8.190 nan 0.000 0.436 551 T N 5.447 119.973 114.554 -0.047 0.000 2.795 551 T HA 0.537 4.885 4.350 -0.002 0.000 0.282 551 T C -0.012 174.549 174.700 -0.232 0.000 0.980 551 T CA -0.092 61.949 62.100 -0.099 0.000 1.012 551 T CB 0.802 69.620 68.868 -0.084 0.000 0.936 551 T HN 0.538 nan 8.240 nan 0.000 0.457 552 I N 6.913 127.312 120.570 -0.285 0.000 2.752 552 I HA 0.073 4.242 4.170 -0.002 0.000 0.286 552 I C -1.443 174.403 176.117 -0.451 0.000 1.180 552 I CA -1.387 59.592 61.300 -0.535 0.000 1.404 552 I CB 0.177 38.008 38.000 -0.282 0.000 1.389 552 I HN 0.347 nan 8.210 nan 0.000 0.549 553 P HA 0.016 nan 4.420 nan 0.000 0.271 553 P C -0.466 176.680 177.300 -0.257 0.000 1.244 553 P CA -0.395 62.494 63.100 -0.350 0.000 0.793 553 P CB 0.532 32.022 31.700 -0.351 0.000 0.984 554 S N -0.165 115.442 115.700 -0.154 0.000 3.965 554 S HA 0.259 4.728 4.470 -0.002 0.000 0.195 554 S C 0.578 175.135 174.600 -0.073 0.000 1.449 554 S CA -0.628 57.513 58.200 -0.099 0.000 0.965 554 S CB -1.169 61.996 63.200 -0.060 0.000 1.459 554 S HN 0.350 nan 8.310 nan 0.000 0.476 555 V N -0.650 119.205 119.914 -0.099 0.000 3.193 555 V HA 0.934 5.053 4.120 -0.002 0.000 0.320 555 V C 0.404 176.524 176.094 0.042 0.000 1.112 555 V CA -1.538 60.743 62.300 -0.030 0.000 1.026 555 V CB 0.737 32.519 31.823 -0.069 0.000 1.128 555 V HN 0.462 nan 8.190 nan 0.000 0.452 556 A N 1.239 124.140 122.820 0.134 0.000 2.561 556 A HA 0.576 4.895 4.320 -0.002 0.000 0.234 556 A C 0.833 178.559 177.584 0.235 0.000 1.055 556 A CA 0.352 52.488 52.037 0.166 0.000 0.756 556 A CB -0.648 18.456 19.000 0.173 0.000 0.986 556 A HN 2.261 nan 8.150 nan 0.000 0.505 557 A N 1.717 124.638 122.820 0.168 0.000 2.498 557 A HA 0.592 4.910 4.320 -0.002 0.000 0.239 557 A C 0.954 178.678 177.584 0.234 0.000 1.068 557 A CA 0.773 52.922 52.037 0.185 0.000 0.766 557 A CB -0.206 18.859 19.000 0.109 0.000 1.003 557 A HN 2.613 nan 8.150 nan 0.000 0.497 558 G N 0.671 109.656 108.800 0.308 0.000 2.323 558 G HA2 0.332 4.290 3.960 -0.002 0.000 0.291 558 G HA3 0.332 4.290 3.960 -0.002 0.000 0.291 558 G C -1.208 173.807 174.900 0.190 0.000 1.278 558 G CA -0.469 44.729 45.100 0.164 0.000 0.860 558 G HN 0.959 nan 8.290 nan 0.000 0.504 559 N N -0.475 118.199 118.700 -0.044 0.000 2.426 559 N HA 0.691 5.430 4.740 -0.002 0.000 0.275 559 N C -1.113 174.320 175.510 -0.127 0.000 1.019 559 N CA -0.277 52.789 53.050 0.027 0.000 0.941 559 N CB 0.646 39.129 38.487 -0.006 0.000 1.123 559 N HN 0.450 nan 8.380 nan 0.000 0.486 560 Y N 1.008 121.435 120.300 0.211 0.000 2.662 560 Y HA 0.759 5.307 4.550 -0.003 0.000 0.335 560 Y C -0.052 175.958 175.900 0.184 0.000 1.066 560 Y CA -1.135 57.090 58.100 0.209 0.000 1.116 560 Y CB 1.693 40.328 38.460 0.292 0.000 1.308 560 Y HN 0.513 nan 8.280 nan 0.000 0.502 561 A N 0.502 123.499 122.820 0.295 0.000 2.374 561 A HA 0.808 5.126 4.320 -0.002 0.000 0.317 561 A C -1.727 175.889 177.584 0.052 0.000 1.094 561 A CA -0.685 51.448 52.037 0.161 0.000 0.765 561 A CB 1.085 20.142 19.000 0.096 0.000 1.268 561 A HN 0.438 nan 8.150 nan 0.000 0.438 562 V N 2.138 122.032 119.914 -0.034 0.000 2.495 562 V HA 0.501 4.619 4.120 -0.002 0.000 0.298 562 V C -0.165 175.850 176.094 -0.132 0.000 1.031 562 V CA -0.466 61.672 62.300 -0.269 0.000 0.871 562 V CB 1.544 33.066 31.823 -0.502 0.000 0.988 562 V HN 0.924 nan 8.190 nan 0.000 0.432 563 K N 3.024 123.356 120.400 -0.114 0.000 2.426 563 K HA 0.780 5.099 4.320 -0.002 0.000 0.251 563 K C -1.571 175.027 176.600 -0.003 0.000 0.941 563 K CA -0.774 55.512 56.287 -0.002 0.000 0.808 563 K CB 2.890 35.431 32.500 0.069 0.000 1.265 563 K HN 0.381 nan 8.250 nan 0.000 0.432 564 V N 1.573 121.475 119.914 -0.020 0.000 2.459 564 V HA 0.592 4.711 4.120 -0.002 0.000 0.295 564 V C -0.855 175.307 176.094 0.114 0.000 1.029 564 V CA -0.664 61.593 62.300 -0.072 0.000 0.874 564 V CB 1.582 33.166 31.823 -0.399 0.000 0.985 564 V HN 0.902 nan 8.190 nan 0.000 0.438 565 A N 4.418 127.351 122.820 0.188 0.000 2.293 565 A HA 0.853 5.172 4.320 -0.002 0.000 0.312 565 A C -0.067 177.645 177.584 0.214 0.000 1.309 565 A CA -0.304 51.862 52.037 0.216 0.000 0.839 565 A CB 0.873 20.045 19.000 0.287 0.000 1.155 565 A HN 1.204 nan 8.150 nan 0.000 0.501 566 A N 2.164 125.121 122.820 0.229 0.000 2.267 566 A HA 0.657 4.975 4.320 -0.002 0.000 0.315 566 A C 0.581 178.235 177.584 0.118 0.000 1.297 566 A CA -0.033 52.140 52.037 0.227 0.000 0.865 566 A CB -0.234 19.011 19.000 0.408 0.000 1.165 566 A HN 1.917 nan 8.150 nan 0.000 0.513 567 S N 1.458 117.181 115.700 0.039 0.000 3.858 567 S HA -0.111 4.358 4.470 -0.002 0.000 0.356 567 S C 1.421 176.041 174.600 0.033 0.000 1.013 567 S CA 1.395 59.607 58.200 0.020 0.000 1.083 567 S CB -1.675 61.543 63.200 0.031 0.000 0.883 567 S HN 2.779 nan 8.310 nan 0.000 0.475 568 G N -1.604 107.219 108.800 0.039 0.000 2.220 568 G HA2 -0.337 3.621 3.960 -0.002 0.000 0.269 568 G HA3 -0.337 3.621 3.960 -0.002 0.000 0.269 568 G C 0.187 175.123 174.900 0.060 0.000 0.977 568 G CA 0.240 45.368 45.100 0.047 0.000 0.634 568 G HN 1.512 nan 8.290 nan 0.000 0.539 569 V N 1.088 121.045 119.914 0.071 0.000 2.465 569 V HA 0.531 4.649 4.120 -0.002 0.000 0.279 569 V C 0.214 176.366 176.094 0.096 0.000 1.045 569 V CA -1.137 61.206 62.300 0.072 0.000 0.938 569 V CB 1.591 33.456 31.823 0.070 0.000 0.986 569 V HN 0.272 nan 8.190 nan 0.000 0.467 570 N N 2.249 120.995 118.700 0.077 0.000 2.456 570 N HA 0.447 5.185 4.740 -0.002 0.000 0.288 570 N C 0.113 175.667 175.510 0.073 0.000 1.059 570 N CA -0.165 52.934 53.050 0.082 0.000 0.946 570 N CB 1.772 40.284 38.487 0.042 0.000 1.150 570 N HN 0.912 nan 8.380 nan 0.000 0.479 571 S N 1.098 116.851 115.700 0.089 0.000 2.713 571 S HA 0.381 4.849 4.470 -0.002 0.000 0.277 571 S C 0.265 174.901 174.600 0.060 0.000 1.168 571 S CA -0.931 57.319 58.200 0.083 0.000 0.994 571 S CB 0.536 63.813 63.200 0.129 0.000 1.054 571 S HN 0.612 nan 8.310 nan 0.000 0.555 572 N N 0.538 119.275 118.700 0.061 0.000 2.415 572 N HA 0.280 5.019 4.740 -0.002 0.000 0.248 572 N C -0.437 175.119 175.510 0.076 0.000 1.271 572 N CA -0.262 52.823 53.050 0.059 0.000 0.913 572 N CB 0.260 38.788 38.487 0.068 0.000 1.129 572 N HN 0.884 nan 8.380 nan 0.000 0.444 573 A N 0.670 123.529 122.820 0.064 0.000 2.290 573 A HA 0.322 4.640 4.320 -0.002 0.000 0.310 573 A C -1.266 176.387 177.584 0.115 0.000 1.202 573 A CA -0.678 51.401 52.037 0.071 0.000 0.837 573 A CB 0.101 19.123 19.000 0.037 0.000 1.139 573 A HN 0.720 nan 8.150 nan 0.000 0.509 574 Y N 3.762 124.061 120.300 -0.001 0.000 2.385 574 Y HA 0.250 4.799 4.550 -0.002 0.000 0.341 574 Y C 0.226 176.151 175.900 0.042 0.000 0.965 574 Y CA -0.420 57.692 58.100 0.020 0.000 1.180 574 Y CB 0.629 39.083 38.460 -0.010 0.000 1.139 574 Y HN 0.747 nan 8.280 nan 0.000 0.502 575 N N 3.769 122.450 118.700 -0.032 0.000 2.434 575 N HA 0.122 4.861 4.740 -0.002 0.000 0.266 575 N C -0.710 174.860 175.510 0.101 0.000 1.223 575 N CA -0.266 52.810 53.050 0.043 0.000 0.972 575 N CB 0.417 38.899 38.487 -0.009 0.000 1.207 575 N HN 0.748 nan 8.380 nan 0.000 0.525 576 N N -0.684 118.091 118.700 0.125 0.000 2.708 576 N HA -0.241 4.497 4.740 -0.002 0.000 0.255 576 N C -1.424 174.201 175.510 0.192 0.000 1.046 576 N CA 0.200 53.327 53.050 0.128 0.000 0.715 576 N CB -1.411 37.114 38.487 0.063 0.000 0.895 576 N HN 0.398 nan 8.380 nan 0.000 0.545 577 F N 1.077 121.124 119.950 0.163 0.000 2.404 577 F HA 0.376 4.902 4.527 -0.002 0.000 0.354 577 F C 0.443 176.373 175.800 0.217 0.000 1.122 577 F CA -0.342 57.768 58.000 0.183 0.000 1.080 577 F CB 1.068 40.185 39.000 0.195 0.000 1.131 577 F HN -0.045 nan 8.300 nan 0.000 0.471 578 T N 7.718 122.075 114.554 -0.329 0.000 2.771 578 T HA 0.477 4.825 4.350 -0.002 0.000 0.291 578 T C -0.093 174.592 174.700 -0.025 0.000 0.954 578 T CA -0.206 61.849 62.100 -0.076 0.000 1.045 578 T CB 0.450 69.254 68.868 -0.107 0.000 0.917 578 T HN 0.393 nan 8.240 nan 0.000 0.484 579 I N 4.428 125.136 120.570 0.230 0.000 2.362 579 I HA 0.359 4.527 4.170 -0.002 0.000 0.289 579 I C 0.021 176.218 176.117 0.133 0.000 0.994 579 I CA -0.671 60.748 61.300 0.199 0.000 1.158 579 I CB 1.188 39.297 38.000 0.182 0.000 1.315 579 I HN 0.370 nan 8.210 nan 0.000 0.451 580 L N 4.777 126.043 121.223 0.072 0.000 2.469 580 L HA 0.337 4.676 4.340 -0.002 0.000 0.253 580 L C 1.448 178.350 176.870 0.053 0.000 1.143 580 L CA -0.312 54.561 54.840 0.055 0.000 0.804 580 L CB 0.743 42.822 42.059 0.033 0.000 1.214 580 L HN 0.551 nan 8.230 nan 0.000 0.476 581 T N -0.597 113.986 114.554 0.048 0.000 2.942 581 T HA 0.192 4.540 4.350 -0.002 0.000 0.265 581 T C 0.525 175.244 174.700 0.031 0.000 1.062 581 T CA 0.898 63.025 62.100 0.044 0.000 1.139 581 T CB 0.211 69.106 68.868 0.046 0.000 0.883 581 T HN 0.872 nan 8.240 nan 0.000 0.468 582 G N 0.227 109.044 108.800 0.028 0.000 2.399 582 G HA2 0.245 4.204 3.960 -0.002 0.000 0.256 582 G HA3 0.245 4.204 3.960 -0.002 0.000 0.256 582 G C -2.068 172.845 174.900 0.022 0.000 1.236 582 G CA -0.862 44.251 45.100 0.021 0.000 0.914 582 G HN 0.029 nan 8.290 nan 0.000 0.482 583 D N 0.924 121.336 120.400 0.020 0.000 2.390 583 D HA 0.340 4.979 4.640 -0.002 0.000 0.236 583 D C 0.129 176.444 176.300 0.025 0.000 1.189 583 D CA 0.590 54.601 54.000 0.019 0.000 0.887 583 D CB 0.665 41.476 40.800 0.018 0.000 1.198 583 D HN 0.259 nan 8.370 nan 0.000 0.444 584 Q N 0.014 119.825 119.800 0.019 0.000 2.348 584 Q HA 0.630 4.969 4.340 -0.002 0.000 0.271 584 Q C -0.404 175.621 176.000 0.043 0.000 1.067 584 Q CA -1.016 54.805 55.803 0.029 0.000 0.839 584 Q CB 2.365 31.107 28.738 0.007 0.000 1.354 584 Q HN 0.339 nan 8.270 nan 0.000 0.447 585 V N -2.283 117.674 119.914 0.072 0.000 2.971 585 V HA 0.668 4.786 4.120 -0.002 0.000 0.309 585 V C -0.432 175.744 176.094 0.136 0.000 1.130 585 V CA -0.828 61.534 62.300 0.103 0.000 0.964 585 V CB 1.927 33.816 31.823 0.111 0.000 1.029 585 V HN 0.666 nan 8.190 nan 0.000 0.427 586 T N 2.831 117.491 114.554 0.177 0.000 2.806 586 T HA 0.702 5.050 4.350 -0.002 0.000 0.290 586 T C -0.340 174.489 174.700 0.215 0.000 0.966 586 T CA -0.275 61.958 62.100 0.221 0.000 1.060 586 T CB 1.347 70.405 68.868 0.318 0.000 0.927 586 T HN 0.764 nan 8.240 nan 0.000 0.485 587 V N 3.568 123.608 119.914 0.211 0.000 2.656 587 V HA 0.532 4.651 4.120 -0.002 0.000 0.307 587 V C -0.040 176.139 176.094 0.140 0.000 1.051 587 V CA -1.104 61.259 62.300 0.105 0.000 0.893 587 V CB 2.107 33.918 31.823 -0.021 0.000 0.999 587 V HN 0.767 nan 8.190 nan 0.000 0.426 588 R N 3.542 124.069 120.500 0.046 0.000 2.215 588 R HA 0.488 4.827 4.340 -0.002 0.000 0.337 588 R C -1.497 174.820 176.300 0.028 0.000 1.010 588 R CA -0.389 55.810 56.100 0.164 0.000 0.871 588 R CB 0.440 30.851 30.300 0.186 0.000 1.134 588 R HN 0.488 nan 8.270 nan 0.000 0.477 589 F N 3.708 123.696 119.950 0.063 0.000 2.427 589 F HA 0.306 4.832 4.527 -0.002 0.000 0.352 589 F C 0.103 176.015 175.800 0.188 0.000 1.100 589 F CA -0.285 57.746 58.000 0.052 0.000 1.191 589 F CB 1.597 40.610 39.000 0.021 0.000 1.128 589 F HN 0.105 nan 8.300 nan 0.000 0.533 590 V N 4.360 124.421 119.914 0.245 0.000 2.638 590 V HA 0.574 4.692 4.120 -0.002 0.000 0.306 590 V C -1.007 175.107 176.094 0.033 0.000 1.052 590 V CA -0.900 61.457 62.300 0.095 0.000 0.885 590 V CB 2.087 33.825 31.823 -0.143 0.000 0.999 590 V HN 0.527 nan 8.190 nan 0.000 0.424 591 V N 5.314 125.174 119.914 -0.089 0.000 2.577 591 V HA 0.616 4.734 4.120 -0.002 0.000 0.303 591 V C -0.711 175.340 176.094 -0.072 0.000 1.042 591 V CA -0.449 61.720 62.300 -0.218 0.000 0.872 591 V CB 2.063 33.391 31.823 -0.825 0.000 0.998 591 V HN 0.930 nan 8.190 nan 0.000 0.423 592 N N 4.896 123.586 118.700 -0.018 0.000 2.487 592 N HA 0.442 5.180 4.740 -0.002 0.000 0.292 592 N C -0.070 175.473 175.510 0.054 0.000 1.108 592 N CA -0.250 52.809 53.050 0.015 0.000 0.956 592 N CB 1.064 39.558 38.487 0.012 0.000 1.176 592 N HN 0.792 nan 8.380 nan 0.000 0.484 593 N N -0.710 117.993 118.700 0.005 0.000 2.780 593 N HA -0.171 4.568 4.740 -0.002 0.000 0.248 593 N C -0.882 174.573 175.510 -0.093 0.000 1.102 593 N CA 0.515 53.552 53.050 -0.023 0.000 0.697 593 N CB -1.209 37.310 38.487 0.054 0.000 1.028 593 N HN 0.662 nan 8.380 nan 0.000 0.554 594 A N 0.309 123.049 122.820 -0.133 0.000 3.175 594 A HA 0.445 4.764 4.320 -0.002 0.000 0.289 594 A C 0.799 178.242 177.584 -0.235 0.000 1.429 594 A CA -0.149 51.647 52.037 -0.402 0.000 1.155 594 A CB -0.020 18.678 19.000 -0.503 0.000 1.169 594 A HN 0.334 nan 8.150 nan 0.000 0.574 595 S N 0.993 116.535 115.700 -0.264 0.000 2.579 595 S HA 0.571 5.040 4.470 -0.002 0.000 0.275 595 S C 0.492 175.114 174.600 0.037 0.000 1.345 595 S CA 0.329 58.494 58.200 -0.059 0.000 1.031 595 S CB 0.772 63.950 63.200 -0.038 0.000 0.892 595 S HN 1.049 nan 8.310 nan 0.000 0.529 596 T N -1.505 113.229 114.554 0.300 0.000 2.716 596 T HA 0.644 4.992 4.350 -0.002 0.000 0.286 596 T C -0.351 174.419 174.700 0.116 0.000 1.052 596 T CA -0.860 61.327 62.100 0.145 0.000 1.024 596 T CB 1.083 70.072 68.868 0.200 0.000 1.349 596 T HN 0.559 nan 8.240 nan 0.000 0.525 597 T N 1.560 116.152 114.554 0.064 0.000 2.929 597 T HA 0.519 4.868 4.350 -0.002 0.000 0.284 597 T C -0.115 174.609 174.700 0.039 0.000 1.014 597 T CA -0.593 61.534 62.100 0.046 0.000 1.051 597 T CB 0.913 69.803 68.868 0.037 0.000 1.028 597 T HN 0.708 nan 8.240 nan 0.000 0.485 598 L N 2.969 124.205 121.223 0.023 0.000 2.628 598 L HA 0.349 4.688 4.340 -0.002 0.000 0.274 598 L C 1.274 178.159 176.870 0.025 0.000 1.209 598 L CA 1.743 56.590 54.840 0.011 0.000 0.930 598 L CB -0.725 41.337 42.059 0.006 0.000 1.183 598 L HN 0.964 nan 8.230 nan 0.000 0.492 599 G N 2.641 111.459 108.800 0.030 0.000 2.159 599 G HA2 -0.320 3.639 3.960 -0.002 0.000 0.256 599 G HA3 -0.320 3.639 3.960 -0.002 0.000 0.256 599 G C 0.272 175.209 174.900 0.061 0.000 0.977 599 G CA 0.431 45.557 45.100 0.044 0.000 0.652 599 G HN 0.849 nan 8.290 nan 0.000 0.531 600 Q N 0.181 120.020 119.800 0.064 0.000 2.278 600 Q HA 0.550 4.889 4.340 -0.002 0.000 0.257 600 Q C -0.045 175.991 176.000 0.061 0.000 0.928 600 Q CA -0.518 55.322 55.803 0.062 0.000 0.932 600 Q CB 0.425 29.187 28.738 0.040 0.000 1.221 600 Q HN 0.486 nan 8.270 nan 0.000 0.434 601 N N 2.128 120.854 118.700 0.045 0.000 2.459 601 N HA 0.482 5.221 4.740 -0.002 0.000 0.288 601 N C -1.606 173.702 175.510 -0.338 0.000 1.186 601 N CA -0.641 52.352 53.050 -0.095 0.000 0.917 601 N CB 1.166 39.584 38.487 -0.116 0.000 1.219 601 N HN 0.395 nan 8.380 nan 0.000 0.525 602 L N 2.243 122.996 121.223 -0.783 0.000 2.307 602 L HA 0.509 4.847 4.340 -0.002 0.000 0.284 602 L C -1.558 174.815 176.870 -0.829 0.000 1.023 602 L CA -0.176 54.163 54.840 -0.835 0.000 0.810 602 L CB 0.307 41.507 42.059 -1.432 0.000 1.231 602 L HN 0.532 nan 8.230 nan 0.000 0.423 603 Y N 4.139 123.999 120.300 -0.732 0.000 2.693 603 Y HA 0.757 5.306 4.550 -0.002 0.000 0.331 603 Y C -0.829 174.617 175.900 -0.756 0.000 1.092 603 Y CA -0.913 56.670 58.100 -0.862 0.000 1.131 603 Y CB 1.772 39.436 38.460 -1.327 0.000 1.318 603 Y HN 0.510 nan 8.280 nan 0.000 0.510 604 L N 0.495 121.429 121.223 -0.482 0.000 2.455 604 L HA 0.826 5.164 4.340 -0.002 0.000 0.264 604 L C -0.926 175.778 176.870 -0.278 0.000 0.968 604 L CA -0.017 54.502 54.840 -0.535 0.000 0.827 604 L CB 2.349 43.900 42.059 -0.846 0.000 1.317 604 L HN 0.663 nan 8.230 nan 0.000 0.407 605 T N 2.398 116.876 114.554 -0.126 0.000 2.894 605 T HA 0.914 5.262 4.350 -0.002 0.000 0.309 605 T C -0.675 173.818 174.700 -0.346 0.000 1.208 605 T CA 0.132 62.168 62.100 -0.107 0.000 1.016 605 T CB 1.470 70.431 68.868 0.155 0.000 1.192 605 T HN 1.144 nan 8.240 nan 0.000 0.491 606 G N 1.572 109.978 108.800 -0.657 0.000 2.782 606 G HA2 0.390 4.349 3.960 -0.002 0.000 0.304 606 G HA3 0.390 4.349 3.960 -0.002 0.000 0.304 606 G C -0.260 173.886 174.900 -1.257 0.000 1.315 606 G CA -0.415 44.047 45.100 -1.062 0.000 0.791 606 G HN 0.743 nan 8.290 nan 0.000 0.519 607 N N -0.538 117.743 118.700 -0.699 0.000 2.416 607 N HA 0.113 4.851 4.740 -0.002 0.000 0.215 607 N C 0.225 175.684 175.510 -0.085 0.000 1.208 607 N CA 0.393 53.279 53.050 -0.273 0.000 0.834 607 N CB 0.077 38.705 38.487 0.234 0.000 1.072 607 N HN 0.859 nan 8.380 nan 0.000 0.472 608 V N -5.297 114.538 119.914 -0.131 0.000 3.078 608 V HA 0.815 4.933 4.120 -0.002 0.000 0.311 608 V C 1.144 177.210 176.094 -0.047 0.000 1.138 608 V CA -0.679 61.600 62.300 -0.035 0.000 1.007 608 V CB 1.058 32.884 31.823 0.005 0.000 1.045 608 V HN -0.049 nan 8.190 nan 0.000 0.432 609 A N 0.542 123.363 122.820 0.001 0.000 1.908 609 A HA -0.126 4.193 4.320 -0.002 0.000 0.218 609 A C 1.672 179.249 177.584 -0.012 0.000 1.181 609 A CA 2.241 54.282 52.037 0.006 0.000 0.627 609 A CB -0.833 18.194 19.000 0.044 0.000 0.818 609 A HN 1.071 nan 8.150 nan 0.000 0.445 610 E N -0.300 119.896 120.200 -0.006 0.000 2.267 610 E HA -0.085 4.263 4.350 -0.002 0.000 0.197 610 E C 1.347 177.916 176.600 -0.053 0.000 0.998 610 E CA 0.830 57.223 56.400 -0.012 0.000 0.830 610 E CB -0.201 29.506 29.700 0.012 0.000 0.751 610 E HN 0.645 nan 8.360 nan 0.000 0.491 611 L N -1.501 119.664 121.223 -0.097 0.000 2.667 611 L HA 0.298 4.637 4.340 -0.002 0.000 0.232 611 L C 1.201 177.977 176.870 -0.157 0.000 1.138 611 L CA 0.278 55.014 54.840 -0.174 0.000 0.921 611 L CB 0.413 42.323 42.059 -0.249 0.000 1.180 611 L HN 0.352 nan 8.230 nan 0.000 0.487 612 G N -0.374 108.367 108.800 -0.097 0.000 2.213 612 G HA2 -0.279 3.679 3.960 -0.002 0.000 0.226 612 G HA3 -0.279 3.679 3.960 -0.002 0.000 0.226 612 G C 0.400 175.274 174.900 -0.043 0.000 0.992 612 G CA -0.081 44.986 45.100 -0.055 0.000 0.632 612 G HN 0.299 nan 8.290 nan 0.000 0.511 613 N N -0.872 117.760 118.700 -0.113 0.000 2.681 613 N HA -0.185 4.553 4.740 -0.002 0.000 0.259 613 N C 0.697 176.244 175.510 0.060 0.000 1.066 613 N CA 1.669 54.675 53.050 -0.072 0.000 0.717 613 N CB -1.699 36.806 38.487 0.030 0.000 0.885 613 N HN 1.208 nan 8.380 nan 0.000 0.547 614 W N -2.322 119.045 121.300 0.112 0.000 4.233 614 W HA -0.300 4.358 4.660 -0.003 0.000 0.328 614 W C 0.937 177.555 176.519 0.165 0.000 1.212 614 W CA 0.827 58.268 57.345 0.160 0.000 0.752 614 W CB -1.785 27.733 29.460 0.095 0.000 2.277 614 W HN 0.384 nan 8.180 nan 0.000 1.465 615 S N 0.238 116.073 115.700 0.224 0.000 2.632 615 S HA 0.533 5.001 4.470 -0.002 0.000 0.271 615 S C 1.149 175.770 174.600 0.036 0.000 1.260 615 S CA 0.304 58.580 58.200 0.127 0.000 1.010 615 S CB 1.175 64.410 63.200 0.059 0.000 0.965 615 S HN 0.288 nan 8.310 nan 0.000 0.534 616 T N 0.442 114.933 114.554 -0.106 0.000 3.182 616 T HA 0.478 4.827 4.350 -0.002 0.000 0.277 616 T C 0.686 175.287 174.700 -0.164 0.000 1.013 616 T CA -0.015 61.865 62.100 -0.367 0.000 0.900 616 T CB 0.049 68.473 68.868 -0.740 0.000 1.098 616 T HN 0.610 nan 8.240 nan 0.000 0.543 617 G N 1.577 110.331 108.800 -0.077 0.000 3.019 617 G HA2 0.426 4.384 3.960 -0.002 0.000 0.152 617 G HA3 0.426 4.384 3.960 -0.002 0.000 0.152 617 G C 1.022 175.888 174.900 -0.056 0.000 1.320 617 G CA 0.014 45.070 45.100 -0.073 0.000 1.013 617 G HN 0.299 nan 8.290 nan 0.000 0.593 618 S N -0.373 115.306 115.700 -0.034 0.000 2.547 618 S HA -0.087 4.381 4.470 -0.002 0.000 0.235 618 S C 1.773 176.370 174.600 -0.005 0.000 0.980 618 S CA 1.709 59.899 58.200 -0.016 0.000 0.941 618 S CB -0.451 62.743 63.200 -0.009 0.000 0.763 618 S HN 0.682 nan 8.310 nan 0.000 0.532 619 T N -0.877 113.674 114.554 -0.006 0.000 3.060 619 T HA 0.575 4.924 4.350 -0.002 0.000 0.249 619 T C 0.680 175.376 174.700 -0.006 0.000 1.079 619 T CA 0.142 62.240 62.100 -0.004 0.000 1.013 619 T CB -0.070 68.796 68.868 -0.003 0.000 0.975 619 T HN 0.474 nan 8.240 nan 0.000 0.518 620 A N 2.142 124.967 122.820 0.008 0.000 2.351 620 A HA 0.580 4.899 4.320 -0.002 0.000 0.257 620 A C 0.291 177.868 177.584 -0.013 0.000 1.087 620 A CA -0.644 51.410 52.037 0.029 0.000 0.798 620 A CB 0.017 19.103 19.000 0.144 0.000 1.033 620 A HN 0.365 nan 8.150 nan 0.000 0.488 621 I N 1.545 122.057 120.570 -0.097 0.000 2.441 621 I HA 0.553 4.721 4.170 -0.002 0.000 0.287 621 I C 0.991 176.919 176.117 -0.316 0.000 1.049 621 I CA 1.219 62.397 61.300 -0.203 0.000 1.381 621 I CB -0.187 37.645 38.000 -0.280 0.000 1.409 621 I HN 1.025 nan 8.210 nan 0.000 0.523 622 G N 8.284 116.777 108.800 -0.511 0.000 2.346 622 G HA2 0.090 4.048 3.960 -0.002 0.000 0.294 622 G HA3 0.090 4.048 3.960 -0.002 0.000 0.294 622 G C -3.141 171.458 174.900 -0.502 0.000 1.294 622 G CA -0.887 43.731 45.100 -0.803 0.000 0.962 622 G HN 0.447 nan 8.290 nan 0.000 0.508 623 P HA 0.529 nan 4.420 nan 0.000 0.276 623 P C 0.471 177.335 177.300 -0.727 0.000 1.230 623 P CA 0.644 63.166 63.100 -0.964 0.000 0.776 623 P CB 1.156 32.469 31.700 -0.645 0.000 0.888 624 A N 3.288 125.738 122.820 -0.618 0.000 2.475 624 A HA 0.286 4.605 4.320 -0.002 0.000 0.239 624 A C -0.051 177.573 177.584 0.066 0.000 1.087 624 A CA 0.211 52.088 52.037 -0.267 0.000 0.779 624 A CB -0.441 18.607 19.000 0.079 0.000 1.036 624 A HN 0.418 nan 8.150 nan 0.000 0.506 625 F N 0.138 120.134 119.950 0.078 0.000 2.403 625 F HA 0.461 4.986 4.527 -0.002 0.000 0.326 625 F C 0.943 176.601 175.800 -0.237 0.000 1.081 625 F CA -0.608 57.271 58.000 -0.202 0.000 1.041 625 F CB 1.319 39.930 39.000 -0.649 0.000 1.234 625 F HN 0.640 nan 8.300 nan 0.000 0.503 626 N N -0.876 117.832 118.700 0.014 0.000 2.423 626 N HA 0.101 4.839 4.740 -0.002 0.000 0.262 626 N C -0.461 175.033 175.510 -0.026 0.000 1.467 626 N CA -0.186 52.781 53.050 -0.138 0.000 0.847 626 N CB -0.065 37.882 38.487 -0.901 0.000 1.394 626 N HN 0.677 nan 8.380 nan 0.000 0.495 627 Q N -0.641 119.217 119.800 0.097 0.000 2.589 627 Q HA 0.288 4.627 4.340 -0.002 0.000 0.216 627 Q C 1.059 177.057 176.000 -0.004 0.000 0.774 627 Q CA 0.284 56.095 55.803 0.012 0.000 0.909 627 Q CB 0.604 29.322 28.738 -0.033 0.000 1.283 627 Q HN 0.067 nan 8.270 nan 0.000 0.597 628 V N 1.890 121.806 119.914 0.004 0.000 2.239 628 V HA -0.189 3.929 4.120 -0.002 0.000 0.236 628 V C 2.170 178.109 176.094 -0.259 0.000 1.040 628 V CA 1.417 63.657 62.300 -0.099 0.000 0.996 628 V CB -0.430 31.352 31.823 -0.068 0.000 0.640 628 V HN 0.314 nan 8.190 nan 0.000 0.456 629 I N -0.910 119.358 120.570 -0.505 0.000 2.315 629 I HA -0.050 4.118 4.170 -0.002 0.000 0.248 629 I C 0.908 176.471 176.117 -0.922 0.000 1.117 629 I CA 1.483 62.277 61.300 -0.843 0.000 1.404 629 I CB -1.131 36.129 38.000 -1.234 0.000 1.071 629 I HN 0.406 nan 8.210 nan 0.000 0.419 630 H N 0.415 119.136 119.070 -0.582 0.000 2.865 630 H HA 0.458 5.012 4.556 -0.002 0.000 0.362 630 H C -0.551 174.738 175.328 -0.064 0.000 1.114 630 H CA -0.722 55.166 56.048 -0.266 0.000 1.208 630 H CB 1.746 31.374 29.762 -0.223 0.000 1.727 630 H HN 0.008 nan 8.280 nan 0.000 0.534 631 Q N 0.988 120.814 119.800 0.044 0.000 2.222 631 Q HA 0.180 4.518 4.340 -0.002 0.000 0.252 631 Q C -0.539 175.449 176.000 -0.020 0.000 0.926 631 Q CA -0.755 55.053 55.803 0.009 0.000 0.899 631 Q CB 1.124 29.858 28.738 -0.007 0.000 1.250 631 Q HN 0.476 nan 8.270 nan 0.000 0.441 632 Y N 4.015 124.183 120.300 -0.220 0.000 2.805 632 Y HA 0.009 4.557 4.550 -0.003 0.000 0.337 632 Y C -1.223 174.605 175.900 -0.119 0.000 1.252 632 Y CA -0.878 57.042 58.100 -0.300 0.000 1.515 632 Y CB 0.675 38.934 38.460 -0.335 0.000 1.305 632 Y HN 0.584 nan 8.280 nan 0.000 0.600 633 P HA 0.030 nan 4.420 nan 0.000 0.256 633 P C -0.642 176.522 177.300 -0.227 0.000 1.335 633 P CA 0.249 62.793 63.100 -0.927 0.000 0.808 633 P CB -0.066 31.160 31.700 -0.789 0.000 1.305 634 T N 0.559 115.028 114.554 -0.141 0.000 2.875 634 T HA 0.376 4.725 4.350 -0.002 0.000 0.284 634 T C -0.682 174.059 174.700 0.068 0.000 0.995 634 T CA 0.043 62.164 62.100 0.036 0.000 1.060 634 T CB 0.803 69.672 68.868 0.001 0.000 0.967 634 T HN 0.025 nan 8.240 nan 0.000 0.476 635 W N 2.145 123.448 121.300 0.004 0.000 2.902 635 W HA 0.676 5.335 4.660 -0.002 0.000 0.346 635 W C -0.864 175.783 176.519 0.213 0.000 1.139 635 W CA -0.929 56.484 57.345 0.114 0.000 1.139 635 W CB 0.971 30.417 29.460 -0.022 0.000 1.439 635 W HN 0.731 nan 8.180 nan 0.000 0.558 636 Y N -0.878 119.642 120.300 0.366 0.000 2.656 636 Y HA 0.771 5.320 4.550 -0.002 0.000 0.334 636 Y C -2.133 174.031 175.900 0.440 0.000 1.179 636 Y CA -2.582 55.711 58.100 0.322 0.000 1.050 636 Y CB 1.360 39.956 38.460 0.227 0.000 1.308 636 Y HN 0.474 nan 8.280 nan 0.000 0.456 637 Y N 0.605 121.042 120.300 0.229 0.000 2.465 637 Y HA 0.360 4.909 4.550 -0.002 0.000 0.323 637 Y C -1.831 174.238 175.900 0.281 0.000 1.191 637 Y CA -1.343 56.814 58.100 0.096 0.000 1.082 637 Y CB 1.737 40.141 38.460 -0.094 0.000 1.334 637 Y HN 0.783 nan 8.280 nan 0.000 0.449 638 D N 4.020 124.440 120.400 0.034 0.000 2.280 638 D HA 0.537 5.176 4.640 -0.002 0.000 0.243 638 D C -0.883 175.533 176.300 0.194 0.000 1.129 638 D CA 0.134 54.256 54.000 0.203 0.000 0.848 638 D CB 1.735 42.687 40.800 0.254 0.000 1.107 638 D HN 0.201 nan 8.370 nan 0.000 0.471 639 V N 1.091 121.180 119.914 0.292 0.000 2.656 639 V HA 0.345 4.463 4.120 -0.002 0.000 0.307 639 V C 0.324 176.545 176.094 0.213 0.000 1.051 639 V CA -0.984 61.462 62.300 0.243 0.000 0.893 639 V CB 2.054 33.985 31.823 0.179 0.000 0.999 639 V HN 0.458 nan 8.190 nan 0.000 0.426 640 S N 2.727 118.514 115.700 0.144 0.000 2.499 640 S HA 0.650 5.118 4.470 -0.002 0.000 0.275 640 S C -0.649 174.014 174.600 0.104 0.000 1.257 640 S CA -0.185 58.080 58.200 0.107 0.000 1.050 640 S CB 0.899 64.129 63.200 0.050 0.000 0.937 640 S HN 0.744 nan 8.310 nan 0.000 0.490 641 V N 6.456 126.441 119.914 0.119 0.000 3.114 641 V HA 0.654 4.772 4.120 -0.002 0.000 0.308 641 V C -2.479 173.673 176.094 0.097 0.000 1.168 641 V CA -2.242 60.129 62.300 0.118 0.000 1.015 641 V CB 2.702 34.642 31.823 0.194 0.000 1.050 641 V HN 0.794 nan 8.190 nan 0.000 0.433 642 P HA 0.158 nan 4.420 nan 0.000 0.264 642 P C -0.624 176.715 177.300 0.064 0.000 1.193 642 P CA 0.223 63.361 63.100 0.064 0.000 0.763 642 P CB 0.609 32.343 31.700 0.056 0.000 0.810 643 A N 3.397 126.247 122.820 0.050 0.000 2.462 643 A HA 0.456 4.775 4.320 -0.002 0.000 0.243 643 A C 1.406 179.004 177.584 0.023 0.000 1.076 643 A CA 0.380 52.442 52.037 0.041 0.000 0.773 643 A CB -1.040 17.983 19.000 0.037 0.000 1.010 643 A HN 0.833 nan 8.150 nan 0.000 0.493 644 G N 0.919 109.723 108.800 0.005 0.000 2.366 644 G HA2 -0.242 3.717 3.960 -0.002 0.000 0.299 644 G HA3 -0.242 3.717 3.960 -0.002 0.000 0.299 644 G C -0.021 174.873 174.900 -0.011 0.000 1.020 644 G CA 1.170 46.261 45.100 -0.015 0.000 1.026 644 G HN 1.012 nan 8.290 nan 0.000 0.512 645 K N -0.674 119.721 120.400 -0.008 0.000 2.371 645 K HA 0.552 4.871 4.320 -0.002 0.000 0.251 645 K C 0.121 176.728 176.600 0.012 0.000 0.934 645 K CA -0.862 55.434 56.287 0.015 0.000 0.798 645 K CB 1.252 33.778 32.500 0.043 0.000 1.204 645 K HN 0.223 nan 8.250 nan 0.000 0.427 646 Q N 4.402 124.221 119.800 0.032 0.000 2.279 646 Q HA 0.326 4.665 4.340 -0.002 0.000 0.256 646 Q C -1.261 174.817 176.000 0.130 0.000 0.937 646 Q CA -0.417 55.420 55.803 0.056 0.000 0.933 646 Q CB 0.620 29.391 28.738 0.054 0.000 1.189 646 Q HN 0.504 nan 8.270 nan 0.000 0.417 647 L N 3.281 124.632 121.223 0.214 0.000 2.346 647 L HA 0.550 4.889 4.340 -0.002 0.000 0.274 647 L C -0.377 176.739 176.870 0.409 0.000 1.007 647 L CA -0.771 54.253 54.840 0.306 0.000 0.818 647 L CB 2.066 44.356 42.059 0.385 0.000 1.284 647 L HN 0.674 nan 8.230 nan 0.000 0.424 648 E N 2.445 122.865 120.200 0.365 0.000 2.199 648 E HA 0.650 4.998 4.350 -0.002 0.000 0.269 648 E C -1.537 175.306 176.600 0.405 0.000 0.899 648 E CA -0.496 56.127 56.400 0.372 0.000 0.772 648 E CB 2.341 32.292 29.700 0.418 0.000 1.155 648 E HN 0.393 nan 8.360 nan 0.000 0.408 649 F N 0.039 120.170 119.950 0.302 0.000 2.713 649 F HA 0.650 5.175 4.527 -0.003 0.000 0.311 649 F C -1.468 174.569 175.800 0.395 0.000 1.141 649 F CA -1.046 57.036 58.000 0.137 0.000 0.939 649 F CB 1.462 40.464 39.000 0.002 0.000 1.325 649 F HN 0.122 nan 8.300 nan 0.000 0.453 650 K N 1.251 121.960 120.400 0.516 0.000 2.551 650 K HA 0.560 4.879 4.320 -0.002 0.000 0.269 650 K C -1.980 174.876 176.600 0.427 0.000 0.949 650 K CA -0.696 55.931 56.287 0.565 0.000 0.849 650 K CB 2.725 35.648 32.500 0.704 0.000 1.411 650 K HN 0.598 nan 8.250 nan 0.000 0.432 651 F N 1.843 122.039 119.950 0.410 0.000 2.380 651 F HA 0.560 5.085 4.527 -0.002 0.000 0.321 651 F C 0.043 176.070 175.800 0.379 0.000 1.103 651 F CA -0.156 58.018 58.000 0.291 0.000 1.067 651 F CB 0.867 40.056 39.000 0.315 0.000 1.265 651 F HN 0.400 nan 8.300 nan 0.000 0.517 652 F N -0.914 119.241 119.950 0.342 0.000 2.650 652 F HA 0.592 5.117 4.527 -0.002 0.000 0.310 652 F C -1.894 173.974 175.800 0.112 0.000 1.112 652 F CA -1.601 56.477 58.000 0.130 0.000 0.986 652 F CB 1.071 39.728 39.000 -0.572 0.000 1.285 652 F HN 0.259 nan 8.300 nan 0.000 0.440 653 K N 2.849 123.426 120.400 0.294 0.000 2.156 653 K HA 0.554 4.872 4.320 -0.002 0.000 0.271 653 K C -1.148 175.571 176.600 0.200 0.000 0.995 653 K CA -0.955 55.383 56.287 0.085 0.000 0.890 653 K CB 2.109 34.588 32.500 -0.034 0.000 1.073 653 K HN 0.751 nan 8.250 nan 0.000 0.454 654 K N 2.424 122.934 120.400 0.182 0.000 2.482 654 K HA 0.158 4.477 4.320 -0.002 0.000 0.251 654 K C -0.717 175.962 176.600 0.132 0.000 0.936 654 K CA -0.408 55.978 56.287 0.165 0.000 0.791 654 K CB 0.980 33.571 32.500 0.151 0.000 1.213 654 K HN 0.742 nan 8.250 nan 0.000 0.428 655 N N 2.285 121.036 118.700 0.085 0.000 2.683 655 N HA 0.246 4.984 4.740 -0.002 0.000 0.220 655 N C 1.197 176.741 175.510 0.057 0.000 1.163 655 N CA 0.082 53.175 53.050 0.072 0.000 1.149 655 N CB -0.407 38.113 38.487 0.055 0.000 1.495 655 N HN 0.444 nan 8.380 nan 0.000 0.550 656 G N -0.021 108.804 108.800 0.041 0.000 2.832 656 G HA2 0.092 4.051 3.960 -0.002 0.000 0.187 656 G HA3 0.092 4.051 3.960 -0.002 0.000 0.187 656 G C 0.910 175.821 174.900 0.018 0.000 1.817 656 G CA 0.857 45.974 45.100 0.029 0.000 0.896 656 G HN 0.506 nan 8.290 nan 0.000 0.453 657 S N -0.875 114.833 115.700 0.013 0.000 2.523 657 S HA 0.158 4.627 4.470 -0.002 0.000 0.217 657 S C 1.074 175.677 174.600 0.004 0.000 0.996 657 S CA 0.712 58.913 58.200 0.002 0.000 0.921 657 S CB -0.042 63.159 63.200 0.001 0.000 0.829 657 S HN 0.706 nan 8.310 nan 0.000 0.495 658 T N 2.588 117.154 114.554 0.020 0.000 2.794 658 T HA 0.525 4.873 4.350 -0.002 0.000 0.296 658 T C -0.259 174.461 174.700 0.033 0.000 0.949 658 T CA -0.605 61.513 62.100 0.030 0.000 1.101 658 T CB -0.014 68.879 68.868 0.043 0.000 0.905 658 T HN 0.109 nan 8.240 nan 0.000 0.516 659 I N 4.769 125.352 120.570 0.022 0.000 2.377 659 I HA 0.373 4.541 4.170 -0.002 0.000 0.293 659 I C 0.697 176.858 176.117 0.074 0.000 0.987 659 I CA -0.405 60.885 61.300 -0.017 0.000 1.185 659 I CB 1.372 39.261 38.000 -0.184 0.000 1.341 659 I HN 0.916 nan 8.210 nan 0.000 0.455 660 T N 4.601 119.230 114.554 0.125 0.000 2.847 660 T HA 0.483 4.831 4.350 -0.002 0.000 0.291 660 T C -0.949 173.984 174.700 0.387 0.000 0.998 660 T CA -0.428 61.829 62.100 0.262 0.000 0.967 660 T CB 0.409 69.425 68.868 0.247 0.000 0.954 660 T HN 0.349 nan 8.240 nan 0.000 0.441 661 W N 2.096 123.554 121.300 0.264 0.000 2.298 661 W HA 0.508 5.166 4.660 -0.002 0.000 0.358 661 W C 0.842 177.412 176.519 0.085 0.000 1.241 661 W CA -0.906 56.586 57.345 0.244 0.000 1.385 661 W CB 0.569 30.089 29.460 0.099 0.000 1.225 661 W HN 0.611 nan 8.180 nan 0.000 0.654 662 E N 0.802 121.059 120.200 0.096 0.000 2.383 662 E HA 0.127 4.476 4.350 -0.002 0.000 0.264 662 E C 0.468 176.982 176.600 -0.145 0.000 1.050 662 E CA -0.144 55.968 56.400 -0.480 0.000 0.896 662 E CB 0.863 30.261 29.700 -0.504 0.000 0.982 662 E HN 0.416 nan 8.360 nan 0.000 0.424 663 S N 1.842 117.433 115.700 -0.182 0.000 2.481 663 S HA 0.659 5.128 4.470 -0.002 0.000 0.267 663 S C 0.882 175.388 174.600 -0.157 0.000 1.174 663 S CA -0.240 57.896 58.200 -0.107 0.000 1.027 663 S CB 0.512 63.681 63.200 -0.052 0.000 1.117 663 S HN 0.867 nan 8.310 nan 0.000 0.495 664 G N 0.180 108.900 108.800 -0.133 0.000 2.641 664 G HA2 -0.145 3.813 3.960 -0.002 0.000 0.254 664 G HA3 -0.145 3.813 3.960 -0.002 0.000 0.254 664 G C -0.070 174.722 174.900 -0.180 0.000 1.315 664 G CA -0.112 44.899 45.100 -0.148 0.000 0.907 664 G HN 1.256 nan 8.290 nan 0.000 0.572 665 S N 0.471 116.056 115.700 -0.192 0.000 2.669 665 S HA 0.517 4.986 4.470 -0.002 0.000 0.270 665 S C 0.607 175.054 174.600 -0.254 0.000 1.225 665 S CA -0.634 57.450 58.200 -0.194 0.000 0.991 665 S CB 0.793 63.903 63.200 -0.150 0.000 0.987 665 S HN 0.723 nan 8.310 nan 0.000 0.552 666 N N 1.714 120.304 118.700 -0.183 0.000 2.482 666 N HA 0.126 4.865 4.740 -0.002 0.000 0.260 666 N C -0.234 175.131 175.510 -0.241 0.000 1.236 666 N CA 0.179 53.151 53.050 -0.129 0.000 0.938 666 N CB 0.105 38.631 38.487 0.065 0.000 1.128 666 N HN 0.528 nan 8.380 nan 0.000 0.448 667 H N -0.133 118.758 119.070 -0.298 0.000 2.551 667 H HA 0.303 4.857 4.556 -0.002 0.000 0.358 667 H C 0.125 175.238 175.328 -0.358 0.000 1.151 667 H CA 0.186 55.967 56.048 -0.446 0.000 1.374 667 H CB 0.814 30.011 29.762 -0.943 0.000 1.473 667 H HN 0.482 nan 8.280 nan 0.000 0.574 668 T N -0.088 114.509 114.554 0.072 0.000 2.906 668 T HA 0.558 4.906 4.350 -0.002 0.000 0.295 668 T C -0.913 174.070 174.700 0.471 0.000 1.061 668 T CA -0.901 61.351 62.100 0.254 0.000 1.000 668 T CB 1.974 70.947 68.868 0.174 0.000 1.103 668 T HN 0.425 nan 8.240 nan 0.000 0.486 669 F N 0.583 120.724 119.950 0.318 0.000 2.650 669 F HA 0.555 5.080 4.527 -0.002 0.000 0.310 669 F C -1.335 174.569 175.800 0.174 0.000 1.112 669 F CA -0.465 57.685 58.000 0.250 0.000 0.986 669 F CB 1.883 41.068 39.000 0.308 0.000 1.285 669 F HN 0.724 nan 8.300 nan 0.000 0.440 670 T N 3.560 117.704 114.554 -0.683 0.000 2.771 670 T HA 0.488 4.836 4.350 -0.002 0.000 0.281 670 T C -0.140 174.015 174.700 -0.909 0.000 0.982 670 T CA -0.468 61.327 62.100 -0.508 0.000 0.978 670 T CB 1.049 69.751 68.868 -0.278 0.000 0.930 670 T HN 0.725 nan 8.240 nan 0.000 0.447 671 T N 2.338 116.621 114.554 -0.451 0.000 2.904 671 T HA 0.471 4.820 4.350 -0.002 0.000 0.290 671 T C -2.364 172.249 174.700 -0.145 0.000 1.018 671 T CA -1.755 60.189 62.100 -0.260 0.000 1.075 671 T CB 0.541 69.416 68.868 0.011 0.000 0.986 671 T HN 0.263 nan 8.240 nan 0.000 0.523 672 P HA 0.228 nan 4.420 nan 0.000 0.272 672 P C 0.646 177.953 177.300 0.011 0.000 1.240 672 P CA -0.443 62.654 63.100 -0.005 0.000 0.791 672 P CB 0.502 32.234 31.700 0.053 0.000 0.978 673 A N 1.177 124.005 122.820 0.014 0.000 2.015 673 A HA 0.046 4.364 4.320 -0.002 0.000 0.219 673 A C 1.064 178.669 177.584 0.035 0.000 1.163 673 A CA 1.671 53.719 52.037 0.019 0.000 0.646 673 A CB -0.722 18.287 19.000 0.015 0.000 0.806 673 A HN 0.778 nan 8.150 nan 0.000 0.448 674 S N -4.906 110.822 115.700 0.048 0.000 2.611 674 S HA 0.628 5.096 4.470 -0.002 0.000 0.268 674 S C 0.287 174.938 174.600 0.085 0.000 1.156 674 S CA 0.231 58.468 58.200 0.063 0.000 0.817 674 S CB 0.796 64.028 63.200 0.054 0.000 1.122 674 S HN 2.133 nan 8.310 nan 0.000 0.466 675 G N 0.756 109.621 108.800 0.108 0.000 2.520 675 G HA2 0.206 4.165 3.960 -0.002 0.000 0.248 675 G HA3 0.206 4.165 3.960 -0.002 0.000 0.248 675 G C 0.052 175.051 174.900 0.165 0.000 1.161 675 G CA 0.697 45.880 45.100 0.138 0.000 0.946 675 G HN 2.483 nan 8.290 nan 0.000 0.565 676 T N -2.486 112.164 114.554 0.161 0.000 2.841 676 T HA 1.006 5.354 4.350 -0.002 0.000 0.296 676 T C -0.276 174.514 174.700 0.151 0.000 1.166 676 T CA 0.524 62.729 62.100 0.175 0.000 1.007 676 T CB 1.627 70.613 68.868 0.197 0.000 1.253 676 T HN 2.675 nan 8.240 nan 0.000 0.511 677 A N 0.402 123.308 122.820 0.143 0.000 2.601 677 A HA 0.790 5.108 4.320 -0.002 0.000 0.291 677 A C -0.738 176.858 177.584 0.019 0.000 1.075 677 A CA -0.916 51.196 52.037 0.124 0.000 0.671 677 A CB 1.333 20.485 19.000 0.252 0.000 1.277 677 A HN 0.991 nan 8.150 nan 0.000 0.417 678 T N 0.414 114.944 114.554 -0.040 0.000 2.876 678 T HA 0.641 4.990 4.350 -0.002 0.000 0.289 678 T C -1.350 173.161 174.700 -0.316 0.000 1.014 678 T CA -0.460 61.556 62.100 -0.139 0.000 0.986 678 T CB 1.529 70.378 68.868 -0.033 0.000 1.021 678 T HN 1.595 nan 8.240 nan 0.000 0.458 679 V N 3.172 122.786 119.914 -0.501 0.000 2.623 679 V HA 0.671 4.790 4.120 -0.002 0.000 0.304 679 V C -0.938 174.999 176.094 -0.262 0.000 1.054 679 V CA -0.235 61.710 62.300 -0.592 0.000 0.882 679 V CB 2.008 33.018 31.823 -1.355 0.000 1.002 679 V HN 0.988 nan 8.190 nan 0.000 0.424 680 T N 6.674 121.162 114.554 -0.111 0.000 2.779 680 T HA 0.718 5.066 4.350 -0.002 0.000 0.280 680 T C -0.366 174.353 174.700 0.032 0.000 0.987 680 T CA -0.298 61.784 62.100 -0.031 0.000 0.966 680 T CB 1.405 70.251 68.868 -0.035 0.000 0.933 680 T HN 1.099 nan 8.240 nan 0.000 0.442 681 V N 0.899 120.841 119.914 0.048 0.000 3.141 681 V HA 0.738 4.857 4.120 -0.002 0.000 0.312 681 V C -0.961 175.164 176.094 0.051 0.000 1.157 681 V CA -1.221 61.110 62.300 0.051 0.000 1.041 681 V CB 2.338 34.093 31.823 -0.114 0.000 1.071 681 V HN 0.700 nan 8.190 nan 0.000 0.441 682 N N 1.739 120.513 118.700 0.124 0.000 2.372 682 N HA 0.239 4.977 4.740 -0.002 0.000 0.291 682 N C -0.734 174.905 175.510 0.215 0.000 1.024 682 N CA -0.294 52.843 53.050 0.145 0.000 0.873 682 N CB 2.046 40.613 38.487 0.132 0.000 1.206 682 N HN 1.027 nan 8.380 nan 0.000 0.486 683 W N 3.125 124.446 121.300 0.035 0.000 2.295 683 W HA -0.018 4.641 4.660 -0.003 0.000 0.335 683 W C -0.368 176.224 176.519 0.122 0.000 1.351 683 W CA 0.468 57.854 57.345 0.068 0.000 1.273 683 W CB 0.495 29.947 29.460 -0.014 0.000 1.214 683 W HN 0.492 nan 8.180 nan 0.000 0.563 684 Q N 0.000 119.439 119.800 -0.602 0.000 2.315 684 Q HA 0.000 4.339 4.340 -0.002 0.000 0.214 684 Q CA 0.000 55.577 55.803 -0.377 0.000 1.022 684 Q CB 0.000 28.569 28.738 -0.282 0.000 1.108 684 Q HN 0.000 nan 8.270 nan 0.000 0.481