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 2pp1_1_E DATA FIRST_RESID 4 DATA SEQUENCE SANSDAVTYA KXXXXRTAAE TGDRIEWVKL SLAFLPLATP VSDAKVLTGR DATA SEQUENCE QKPLTEVAII IAEIRSRDGF EGVGFSYSKR AGGQGIYAHA KEIADNLLGE DATA SEQUENCE DPNDIDKIYT KLLWAGASVG RSGMAVQAIS PIDIALWDMK AKRAGLPLAK DATA SEQUENCE LLGAHRDSVQ CYNTSGGFLH TPLDQVLKNV VISRENGIGG IKLKVGQPNC DATA SEQUENCE AEDIRRLTAV REALGDEFPL MVDANQQWDR ETAIRMGRKM EQFNLIWIEE DATA SEQUENCE PLDAYDIEGH AQLAAALDTP IATGEMLTSF REHEQLILGN ASDFVQPDAP DATA SEQUENCE RVGGISPFLK IMDLAAKHGR KLAPHFAMEV HLHLSAAYPL EPWLEHFEWL DATA SEQUENCE NPLFNEQLEL RDGRMWISDR HGLGFTLSEQ ARRWTQLTCE FGKRP 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 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.589 174.600 -0.018 0.000 1.055 4 S CA 0.000 58.192 58.200 -0.014 0.000 1.107 4 S CB 0.000 63.193 63.200 -0.011 0.000 0.593 5 A N 2.010 124.818 122.820 -0.020 0.000 2.195 5 A HA 0.409 4.729 4.320 -0.000 0.000 0.210 5 A C 0.493 178.056 177.584 -0.035 0.000 1.165 5 A CA 0.826 52.847 52.037 -0.026 0.000 0.806 5 A CB -0.236 18.750 19.000 -0.024 0.000 0.847 5 A HN 0.705 nan 8.150 nan 0.000 0.482 6 N N -0.974 117.707 118.700 -0.032 0.000 2.934 6 N HA 0.479 5.219 4.740 -0.000 0.000 0.253 6 N C -0.842 174.650 175.510 -0.030 0.000 1.466 6 N CA 0.378 53.405 53.050 -0.038 0.000 0.858 6 N CB 0.997 39.462 38.487 -0.037 0.000 1.459 6 N HN 0.218 nan 8.380 nan 0.000 0.532 7 S N -1.367 114.315 115.700 -0.030 0.000 2.840 7 S HA 0.433 4.903 4.470 -0.000 0.000 0.307 7 S C -0.368 174.222 174.600 -0.018 0.000 1.180 7 S CA -0.550 57.637 58.200 -0.021 0.000 0.846 7 S CB 1.279 64.468 63.200 -0.019 0.000 1.233 7 S HN 0.430 nan 8.310 nan 0.000 0.548 8 D N 0.675 121.068 120.400 -0.011 0.000 2.234 8 D HA 0.250 4.890 4.640 -0.000 0.000 0.205 8 D C 1.431 177.728 176.300 -0.005 0.000 0.962 8 D CA 1.361 55.357 54.000 -0.007 0.000 0.855 8 D CB -0.327 40.471 40.800 -0.003 0.000 0.951 8 D HN 0.586 nan 8.370 nan 0.000 0.500 9 A N 0.219 123.036 122.820 -0.004 0.000 3.909 9 A HA 0.515 4.835 4.320 -0.000 0.000 0.180 9 A C 0.117 177.697 177.584 -0.007 0.000 1.812 9 A CA -0.067 51.972 52.037 0.003 0.000 1.557 9 A CB 0.464 19.471 19.000 0.012 0.000 1.216 9 A HN 0.026 nan 8.150 nan 0.000 0.386 10 V N -0.357 119.554 119.914 -0.006 0.000 2.950 10 V HA 0.567 4.687 4.120 -0.000 0.000 0.295 10 V C -1.130 174.931 176.094 -0.055 0.000 1.297 10 V CA 0.265 62.535 62.300 -0.050 0.000 0.962 10 V CB 1.846 33.665 31.823 -0.006 0.000 1.081 10 V HN 1.416 nan 8.190 nan 0.000 0.432 11 T N 3.189 117.636 114.554 -0.177 0.000 2.893 11 T HA 0.816 5.166 4.350 -0.000 0.000 0.291 11 T C -1.338 173.163 174.700 -0.331 0.000 1.028 11 T CA -0.560 61.468 62.100 -0.121 0.000 0.995 11 T CB 1.767 70.600 68.868 -0.058 0.000 1.051 11 T HN 0.587 nan 8.240 nan 0.000 0.470 12 Y N 0.378 120.677 120.300 -0.001 0.000 2.425 12 Y HA 0.677 5.227 4.550 -0.000 0.000 0.344 12 Y C 0.546 176.446 175.900 -0.001 0.000 0.969 12 Y CA -1.020 57.079 58.100 -0.001 0.000 1.052 12 Y CB 2.072 40.531 38.460 -0.001 0.000 1.215 12 Y HN 1.131 nan 8.280 nan 0.000 0.451 13 A N 3.399 126.294 122.820 0.126 0.000 2.257 13 A HA 0.812 5.131 4.320 -0.000 0.000 0.289 13 A C -0.411 177.222 177.584 0.083 0.000 1.095 13 A CA -0.516 51.567 52.037 0.075 0.000 0.836 13 A CB 0.677 19.701 19.000 0.041 0.000 1.111 13 A HN 0.612 nan 8.150 nan 0.000 0.497 20 T N 0.199 114.755 114.554 0.003 0.000 2.927 20 T HA 0.562 4.912 4.350 -0.000 0.000 0.281 20 T C 1.283 175.984 174.700 0.001 0.000 0.998 20 T CA -0.120 61.981 62.100 0.002 0.000 1.019 20 T CB 1.852 70.721 68.868 0.001 0.000 1.061 20 T HN 0.550 nan 8.240 nan 0.000 0.518 21 A N 1.028 123.847 122.820 -0.001 0.000 1.969 21 A HA 0.253 4.573 4.320 -0.000 0.000 0.218 21 A C 2.537 180.119 177.584 -0.003 0.000 1.169 21 A CA 1.562 53.597 52.037 -0.003 0.000 0.635 21 A CB -1.418 17.578 19.000 -0.008 0.000 0.810 21 A HN 1.210 nan 8.150 nan 0.000 0.445 22 A N 0.959 123.778 122.820 -0.002 0.000 1.873 22 A HA -0.169 4.150 4.320 -0.000 0.000 0.215 22 A C 1.953 179.538 177.584 0.002 0.000 1.186 22 A CA 1.601 53.637 52.037 -0.002 0.000 0.616 22 A CB -0.575 18.424 19.000 -0.002 0.000 0.823 22 A HN 0.765 nan 8.150 nan 0.000 0.442 23 E N -0.369 119.833 120.200 0.003 0.000 2.358 23 E HA -0.092 4.258 4.350 -0.000 0.000 0.195 23 E C 1.417 178.022 176.600 0.009 0.000 1.010 23 E CA 1.379 57.782 56.400 0.006 0.000 0.856 23 E CB -0.462 29.241 29.700 0.005 0.000 0.795 23 E HN 0.629 nan 8.360 nan 0.000 0.504 24 T N -2.324 112.235 114.554 0.009 0.000 3.001 24 T HA 0.247 4.597 4.350 -0.000 0.000 0.251 24 T C 1.137 175.848 174.700 0.017 0.000 1.040 24 T CA -0.001 62.107 62.100 0.013 0.000 0.985 24 T CB 0.331 69.207 68.868 0.012 0.000 1.011 24 T HN 0.174 nan 8.240 nan 0.000 0.509 25 G N 1.352 110.158 108.800 0.011 0.000 2.630 25 G HA2 0.303 4.263 3.960 -0.000 0.000 0.236 25 G HA3 0.303 4.263 3.960 -0.000 0.000 0.236 25 G C -0.318 174.597 174.900 0.025 0.000 1.248 25 G CA -0.340 44.766 45.100 0.010 0.000 0.844 25 G HN 0.289 nan 8.290 nan 0.000 0.588 26 D N -0.469 119.951 120.400 0.032 0.000 2.363 26 D HA 0.265 4.905 4.640 -0.000 0.000 0.240 26 D C 0.388 176.715 176.300 0.047 0.000 1.236 26 D CA 0.197 54.234 54.000 0.062 0.000 0.927 26 D CB 0.538 41.393 40.800 0.092 0.000 1.150 26 D HN 0.146 nan 8.370 nan 0.000 0.458 27 R N 1.262 121.799 120.500 0.062 0.000 2.651 27 R HA 0.398 4.738 4.340 -0.000 0.000 0.278 27 R C -0.613 175.730 176.300 0.072 0.000 1.010 27 R CA -0.777 55.355 56.100 0.052 0.000 0.896 27 R CB 1.101 31.428 30.300 0.046 0.000 1.211 27 R HN 0.454 nan 8.270 nan 0.000 0.456 28 I N 2.406 123.014 120.570 0.063 0.000 2.496 28 I HA 0.050 4.220 4.170 -0.000 0.000 0.285 28 I C 1.197 177.376 176.117 0.103 0.000 1.080 28 I CA 0.592 61.943 61.300 0.084 0.000 1.404 28 I CB 0.705 38.737 38.000 0.053 0.000 1.403 28 I HN 0.565 nan 8.210 nan 0.000 0.539 29 E N 4.183 124.475 120.200 0.153 0.000 2.508 29 E HA 0.072 4.422 4.350 -0.000 0.000 0.217 29 E C -0.768 176.007 176.600 0.291 0.000 0.896 29 E CA -0.135 56.370 56.400 0.175 0.000 1.118 29 E CB 1.040 30.827 29.700 0.145 0.000 1.133 29 E HN 0.613 nan 8.360 nan 0.000 0.526 30 W N 0.791 122.133 121.300 0.071 0.000 3.256 30 W HA 0.452 5.112 4.660 -0.000 0.000 0.324 30 W C -1.912 174.674 176.519 0.112 0.000 1.196 30 W CA -0.513 56.886 57.345 0.091 0.000 1.206 30 W CB 1.330 30.832 29.460 0.070 0.000 1.385 30 W HN -0.363 nan 8.180 nan 0.000 0.522 31 V N 4.982 124.565 119.914 -0.553 0.000 2.808 31 V HA 0.473 4.593 4.120 -0.000 0.000 0.308 31 V C -0.966 174.607 176.094 -0.869 0.000 1.099 31 V CA -1.277 60.700 62.300 -0.538 0.000 0.920 31 V CB 1.881 33.610 31.823 -0.157 0.000 1.014 31 V HN 0.444 nan 8.190 nan 0.000 0.425 32 K N 4.517 124.438 120.400 -0.797 0.000 2.426 32 K HA 0.760 5.080 4.320 -0.000 0.000 0.254 32 K C -1.796 174.734 176.600 -0.115 0.000 0.936 32 K CA -0.614 55.367 56.287 -0.509 0.000 0.801 32 K CB 1.693 33.855 32.500 -0.564 0.000 1.139 32 K HN 0.654 nan 8.250 nan 0.000 0.424 33 L N 2.304 123.552 121.223 0.041 0.000 2.334 33 L HA 0.536 4.876 4.340 -0.000 0.000 0.276 33 L C -0.533 176.508 176.870 0.285 0.000 1.014 33 L CA -0.849 54.090 54.840 0.165 0.000 0.815 33 L CB 2.153 44.309 42.059 0.161 0.000 1.268 33 L HN 0.635 nan 8.230 nan 0.000 0.428 34 S N 2.630 118.492 115.700 0.271 0.000 2.541 34 S HA 0.605 5.075 4.470 -0.000 0.000 0.280 34 S C -1.239 173.374 174.600 0.023 0.000 1.112 34 S CA -0.509 57.776 58.200 0.142 0.000 0.925 34 S CB 2.398 65.643 63.200 0.075 0.000 1.067 34 S HN 0.398 nan 8.310 nan 0.000 0.479 35 L N 3.089 124.132 121.223 -0.300 0.000 2.316 35 L HA 0.878 5.218 4.340 -0.000 0.000 0.280 35 L C -0.354 176.340 176.870 -0.294 0.000 1.006 35 L CA -0.183 54.423 54.840 -0.389 0.000 0.836 35 L CB 0.393 42.012 42.059 -0.734 0.000 1.221 35 L HN 0.812 nan 8.230 nan 0.000 0.418 36 A N 4.108 126.747 122.820 -0.302 0.000 2.386 36 A HA 0.862 5.182 4.320 -0.000 0.000 0.308 36 A C -1.497 175.807 177.584 -0.467 0.000 1.128 36 A CA -0.435 51.488 52.037 -0.191 0.000 0.789 36 A CB 0.925 19.903 19.000 -0.036 0.000 1.325 36 A HN 0.540 nan 8.150 nan 0.000 0.437 37 F N 0.194 120.088 119.950 -0.095 0.000 2.507 37 F HA 0.471 4.998 4.527 -0.000 0.000 0.328 37 F C -0.303 175.196 175.800 -0.502 0.000 1.136 37 F CA -0.419 57.449 58.000 -0.220 0.000 0.930 37 F CB 2.092 40.975 39.000 -0.196 0.000 1.166 37 F HN 0.378 nan 8.300 nan 0.000 0.436 38 L N 7.636 128.630 121.223 -0.383 0.000 2.268 38 L HA 0.465 4.805 4.340 -0.000 0.000 0.289 38 L C -2.215 174.261 176.870 -0.657 0.000 1.064 38 L CA -2.033 52.362 54.840 -0.741 0.000 0.824 38 L CB 0.318 42.126 42.059 -0.418 0.000 1.202 38 L HN 0.229 nan 8.230 nan 0.000 0.433 39 P HA 0.118 nan 4.420 nan 0.000 0.276 39 P C -1.095 175.939 177.300 -0.444 0.000 1.230 39 P CA -0.188 62.604 63.100 -0.513 0.000 0.776 39 P CB 1.002 32.447 31.700 -0.426 0.000 0.888 40 L N 2.971 123.955 121.223 -0.398 0.000 2.301 40 L HA 0.325 4.665 4.340 -0.000 0.000 0.278 40 L C 1.700 178.397 176.870 -0.289 0.000 1.022 40 L CA -0.701 53.882 54.840 -0.428 0.000 0.854 40 L CB 1.308 43.007 42.059 -0.600 0.000 1.226 40 L HN 0.374 nan 8.230 nan 0.000 0.429 41 A N 2.143 124.841 122.820 -0.204 0.000 1.948 41 A HA -0.099 4.221 4.320 -0.000 0.000 0.220 41 A C 1.122 178.622 177.584 -0.139 0.000 1.177 41 A CA 1.481 53.439 52.037 -0.132 0.000 0.636 41 A CB -0.327 18.631 19.000 -0.071 0.000 0.815 41 A HN 0.587 nan 8.150 nan 0.000 0.449 42 T N 2.018 116.474 114.554 -0.164 0.000 2.781 42 T HA 0.466 4.816 4.350 -0.000 0.000 0.305 42 T C -2.705 171.809 174.700 -0.310 0.000 1.001 42 T CA -1.011 60.984 62.100 -0.174 0.000 0.950 42 T CB 1.183 70.004 68.868 -0.079 0.000 0.955 42 T HN 0.063 nan 8.240 nan 0.000 0.471 43 P HA 0.085 nan 4.420 nan 0.000 0.262 43 P C -0.710 176.230 177.300 -0.599 0.000 1.182 43 P CA -0.141 62.745 63.100 -0.357 0.000 0.761 43 P CB 0.422 31.974 31.700 -0.246 0.000 0.795 44 V N 3.874 123.499 119.914 -0.481 0.000 2.427 44 V HA 0.366 4.486 4.120 -0.000 0.000 0.286 44 V C 0.219 176.252 176.094 -0.101 0.000 1.034 44 V CA 0.019 62.048 62.300 -0.452 0.000 0.893 44 V CB 1.597 33.188 31.823 -0.386 0.000 0.982 44 V HN 0.450 nan 8.190 nan 0.000 0.452 45 S N 3.247 119.108 115.700 0.267 0.000 2.707 45 S HA 0.517 4.987 4.470 -0.000 0.000 0.303 45 S C -0.696 174.208 174.600 0.506 0.000 1.132 45 S CA -0.945 57.448 58.200 0.320 0.000 1.046 45 S CB 1.314 64.653 63.200 0.232 0.000 1.004 45 S HN 0.983 nan 8.310 nan 0.000 0.483 46 D N 1.817 122.474 120.400 0.429 0.000 2.564 46 D HA 0.634 5.274 4.640 -0.000 0.000 0.273 46 D C 1.308 177.691 176.300 0.138 0.000 1.192 46 D CA -0.724 53.465 54.000 0.314 0.000 1.080 46 D CB -0.023 40.946 40.800 0.281 0.000 1.160 46 D HN 0.342 nan 8.370 nan 0.000 0.607 47 A N -0.575 122.264 122.820 0.032 0.000 2.024 47 A HA -0.221 4.099 4.320 -0.000 0.000 0.220 47 A C 1.825 179.415 177.584 0.010 0.000 1.164 47 A CA 1.507 53.537 52.037 -0.013 0.000 0.643 47 A CB -0.857 18.070 19.000 -0.121 0.000 0.806 47 A HN 0.545 nan 8.150 nan 0.000 0.451 48 K N -0.578 119.841 120.400 0.031 0.000 2.209 48 K HA -0.063 4.257 4.320 -0.000 0.000 0.204 48 K C 1.691 178.319 176.600 0.046 0.000 1.048 48 K CA 1.348 57.657 56.287 0.035 0.000 0.940 48 K CB -0.215 32.315 32.500 0.049 0.000 0.729 48 K HN 0.379 nan 8.250 nan 0.000 0.451 49 V N 0.791 120.745 119.914 0.066 0.000 2.446 49 V HA -0.140 3.980 4.120 -0.000 0.000 0.244 49 V C 1.853 177.978 176.094 0.052 0.000 1.039 49 V CA 1.083 63.420 62.300 0.061 0.000 1.045 49 V CB -0.201 31.669 31.823 0.080 0.000 0.681 49 V HN 0.145 nan 8.190 nan 0.000 0.459 50 L N 0.990 122.247 121.223 0.057 0.000 2.362 50 L HA -0.088 4.252 4.340 -0.000 0.000 0.219 50 L C 2.437 179.330 176.870 0.039 0.000 1.134 50 L CA 2.192 57.061 54.840 0.049 0.000 0.807 50 L CB -1.015 41.075 42.059 0.051 0.000 0.927 50 L HN 0.598 nan 8.230 nan 0.000 0.447 51 T N -4.949 109.625 114.554 0.033 0.000 3.107 51 T HA 0.346 4.696 4.350 -0.000 0.000 0.249 51 T C 1.503 176.221 174.700 0.029 0.000 1.096 51 T CA 0.383 62.502 62.100 0.032 0.000 1.012 51 T CB 0.252 69.137 68.868 0.028 0.000 0.977 51 T HN 0.351 nan 8.240 nan 0.000 0.527 52 G N 1.887 110.705 108.800 0.029 0.000 2.176 52 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.253 52 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.253 52 G C 1.172 176.085 174.900 0.022 0.000 0.979 52 G CA 0.177 45.291 45.100 0.024 0.000 0.641 52 G HN 0.420 nan 8.290 nan 0.000 0.530 53 R N -0.007 120.507 120.500 0.024 0.000 2.115 53 R HA 0.077 4.417 4.340 -0.000 0.000 0.230 53 R C 1.331 177.645 176.300 0.023 0.000 1.111 53 R CA 1.473 57.586 56.100 0.023 0.000 0.976 53 R CB -0.125 30.189 30.300 0.025 0.000 0.870 53 R HN 0.709 nan 8.270 nan 0.000 0.445 54 Q N -0.703 119.113 119.800 0.026 0.000 2.615 54 Q HA 0.376 4.716 4.340 -0.000 0.000 0.298 54 Q C -0.792 175.220 176.000 0.021 0.000 1.023 54 Q CA -0.946 54.872 55.803 0.025 0.000 0.768 54 Q CB 2.170 30.928 28.738 0.034 0.000 1.500 54 Q HN -0.234 nan 8.270 nan 0.000 0.441 55 K N 0.803 121.210 120.400 0.011 0.000 2.106 55 K HA 0.509 4.828 4.320 -0.000 0.000 0.246 55 K C -2.473 174.124 176.600 -0.006 0.000 0.987 55 K CA -1.945 54.341 56.287 -0.001 0.000 0.904 55 K CB 0.432 32.923 32.500 -0.014 0.000 1.071 55 K HN 0.322 nan 8.250 nan 0.000 0.453 56 P HA -0.031 nan 4.420 nan 0.000 0.266 56 P C -0.503 176.752 177.300 -0.074 0.000 1.193 56 P CA -0.298 62.774 63.100 -0.047 0.000 0.770 56 P CB 0.336 31.988 31.700 -0.081 0.000 0.836 57 L N 3.341 124.506 121.223 -0.096 0.000 2.319 57 L HA 0.275 4.615 4.340 -0.000 0.000 0.280 57 L C 1.029 177.768 176.870 -0.218 0.000 1.099 57 L CA 0.863 55.627 54.840 -0.127 0.000 0.828 57 L CB 0.329 42.323 42.059 -0.109 0.000 1.150 57 L HN 0.494 nan 8.230 nan 0.000 0.442 58 T N 0.417 114.851 114.554 -0.200 0.000 3.040 58 T HA 0.330 4.679 4.350 -0.000 0.000 0.266 58 T C 0.090 174.632 174.700 -0.262 0.000 1.005 58 T CA 0.283 62.241 62.100 -0.235 0.000 0.906 58 T CB -0.201 68.558 68.868 -0.182 0.000 1.082 58 T HN 0.712 nan 8.240 nan 0.000 0.531 59 E N -0.324 119.736 120.200 -0.234 0.000 2.422 59 E HA 0.558 4.908 4.350 -0.000 0.000 0.280 59 E C -2.213 174.320 176.600 -0.112 0.000 1.091 59 E CA -1.197 55.078 56.400 -0.208 0.000 0.849 59 E CB 1.465 31.091 29.700 -0.124 0.000 1.353 59 E HN -0.019 nan 8.360 nan 0.000 0.449 60 V N 0.685 120.552 119.914 -0.079 0.000 2.577 60 V HA 0.673 4.793 4.120 -0.000 0.000 0.303 60 V C -0.153 175.936 176.094 -0.007 0.000 1.042 60 V CA -0.360 61.947 62.300 0.012 0.000 0.872 60 V CB 1.371 33.206 31.823 0.021 0.000 0.998 60 V HN 0.870 nan 8.190 nan 0.000 0.423 61 A N 6.372 129.186 122.820 -0.010 0.000 2.401 61 A HA 0.748 5.068 4.320 -0.000 0.000 0.259 61 A C -0.439 177.049 177.584 -0.160 0.000 1.103 61 A CA -0.124 51.674 52.037 -0.400 0.000 0.789 61 A CB 0.106 18.933 19.000 -0.288 0.000 1.035 61 A HN 0.621 nan 8.150 nan 0.000 0.491 62 I N 3.489 123.894 120.570 -0.275 0.000 2.439 62 I HA 0.293 4.463 4.170 -0.000 0.000 0.285 62 I C -1.017 175.072 176.117 -0.046 0.000 1.021 62 I CA -0.434 60.831 61.300 -0.058 0.000 1.091 62 I CB 1.306 39.225 38.000 -0.135 0.000 1.242 62 I HN 0.405 nan 8.210 nan 0.000 0.439 63 I N 7.457 128.093 120.570 0.109 0.000 2.330 63 I HA 0.404 4.574 4.170 -0.000 0.000 0.289 63 I C 0.205 176.451 176.117 0.216 0.000 1.001 63 I CA -0.011 61.375 61.300 0.143 0.000 1.193 63 I CB 0.957 39.059 38.000 0.169 0.000 1.345 63 I HN 0.291 nan 8.210 nan 0.000 0.461 64 I N 5.224 125.905 120.570 0.185 0.000 2.460 64 I HA 0.796 4.966 4.170 -0.000 0.000 0.298 64 I C 0.085 176.306 176.117 0.173 0.000 0.989 64 I CA -0.697 60.729 61.300 0.210 0.000 1.173 64 I CB 1.790 39.888 38.000 0.163 0.000 1.338 64 I HN 0.612 nan 8.210 nan 0.000 0.456 65 A N 4.870 127.789 122.820 0.165 0.000 2.371 65 A HA 0.742 5.062 4.320 -0.000 0.000 0.311 65 A C -0.929 176.721 177.584 0.110 0.000 1.068 65 A CA -0.527 51.569 52.037 0.099 0.000 0.744 65 A CB 1.092 20.131 19.000 0.065 0.000 1.239 65 A HN 0.758 nan 8.150 nan 0.000 0.435 66 E N 1.581 121.817 120.200 0.059 0.000 2.224 66 E HA 0.586 4.936 4.350 -0.000 0.000 0.265 66 E C -1.391 175.252 176.600 0.072 0.000 0.878 66 E CA -0.273 56.201 56.400 0.124 0.000 0.759 66 E CB 2.312 32.135 29.700 0.205 0.000 1.164 66 E HN 0.603 nan 8.360 nan 0.000 0.414 67 I N 2.443 123.113 120.570 0.165 0.000 2.498 67 I HA 0.468 4.638 4.170 -0.000 0.000 0.290 67 I C -0.327 175.959 176.117 0.281 0.000 1.032 67 I CA -0.793 60.611 61.300 0.172 0.000 1.073 67 I CB 1.843 39.901 38.000 0.096 0.000 1.251 67 I HN 0.258 nan 8.210 nan 0.000 0.426 68 R N 3.337 124.058 120.500 0.367 0.000 2.599 68 R HA 0.553 4.893 4.340 -0.000 0.000 0.295 68 R C -0.594 175.847 176.300 0.234 0.000 0.963 68 R CA -0.606 55.682 56.100 0.314 0.000 0.883 68 R CB 2.504 33.011 30.300 0.345 0.000 1.171 68 R HN 0.797 nan 8.270 nan 0.000 0.450 69 S N 1.201 117.015 115.700 0.190 0.000 2.690 69 S HA 0.264 4.734 4.470 -0.000 0.000 0.291 69 S C 1.047 175.716 174.600 0.116 0.000 1.138 69 S CA -0.933 57.365 58.200 0.163 0.000 1.013 69 S CB 2.220 65.544 63.200 0.207 0.000 1.053 69 S HN 0.797 nan 8.310 nan 0.000 0.539 70 R N 0.463 121.023 120.500 0.099 0.000 2.096 70 R HA -0.144 4.196 4.340 -0.000 0.000 0.240 70 R C 0.144 176.468 176.300 0.040 0.000 1.139 70 R CA 2.076 58.214 56.100 0.063 0.000 0.952 70 R CB -0.690 29.645 30.300 0.060 0.000 0.854 70 R HN 0.741 nan 8.270 nan 0.000 0.436 71 D N -0.936 119.509 120.400 0.074 0.000 2.338 71 D HA 0.090 4.730 4.640 -0.000 0.000 0.239 71 D C 0.824 177.027 176.300 -0.161 0.000 1.095 71 D CA 1.052 55.070 54.000 0.030 0.000 0.888 71 D CB 0.436 41.329 40.800 0.155 0.000 0.899 71 D HN 0.612 nan 8.370 nan 0.000 0.525 72 G N 0.042 108.755 108.800 -0.145 0.000 2.157 72 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.239 72 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.239 72 G C 0.052 174.718 174.900 -0.390 0.000 0.982 72 G CA -0.515 44.414 45.100 -0.285 0.000 0.650 72 G HN 0.232 nan 8.290 nan 0.000 0.527 73 F N 1.180 121.155 119.950 0.041 0.000 2.399 73 F HA 0.708 5.235 4.527 -0.000 0.000 0.328 73 F C 0.562 176.406 175.800 0.073 0.000 1.084 73 F CA -0.699 57.331 58.000 0.051 0.000 1.053 73 F CB 1.414 40.438 39.000 0.040 0.000 1.209 73 F HN 0.180 nan 8.300 nan 0.000 0.502 74 E N 1.085 121.452 120.200 0.279 0.000 2.340 74 E HA 0.673 5.023 4.350 -0.000 0.000 0.273 74 E C -1.510 175.214 176.600 0.206 0.000 0.891 74 E CA -0.923 55.611 56.400 0.223 0.000 0.757 74 E CB 1.972 31.784 29.700 0.185 0.000 1.231 74 E HN 0.707 nan 8.360 nan 0.000 0.439 75 G N 0.616 109.529 108.800 0.190 0.000 2.620 75 G HA2 0.566 4.526 3.960 -0.000 0.000 0.301 75 G HA3 0.566 4.526 3.960 -0.000 0.000 0.301 75 G C -1.530 173.475 174.900 0.175 0.000 1.347 75 G CA -0.518 44.680 45.100 0.163 0.000 0.971 75 G HN 0.420 nan 8.290 nan 0.000 0.488 76 V N 0.557 120.580 119.914 0.181 0.000 2.789 76 V HA 1.010 5.130 4.120 -0.000 0.000 0.311 76 V C 0.119 176.341 176.094 0.214 0.000 1.073 76 V CA 0.426 62.853 62.300 0.211 0.000 0.921 76 V CB 1.912 33.885 31.823 0.250 0.000 1.009 76 V HN 1.526 nan 8.190 nan 0.000 0.426 77 G N 4.250 113.189 108.800 0.233 0.000 2.660 77 G HA2 0.818 4.778 3.960 -0.000 0.000 0.290 77 G HA3 0.818 4.778 3.960 -0.000 0.000 0.290 77 G C -1.594 173.489 174.900 0.305 0.000 1.432 77 G CA -0.194 45.026 45.100 0.200 0.000 0.807 77 G HN 1.579 nan 8.290 nan 0.000 0.485 78 F N -0.764 119.256 119.950 0.117 0.000 2.713 78 F HA 0.868 5.395 4.527 -0.000 0.000 0.311 78 F C -0.297 175.585 175.800 0.135 0.000 1.141 78 F CA -0.783 57.291 58.000 0.125 0.000 0.939 78 F CB 1.455 40.544 39.000 0.147 0.000 1.325 78 F HN 0.942 nan 8.300 nan 0.000 0.453 79 S N 0.584 116.491 115.700 0.344 0.000 2.811 79 S HA 0.936 5.406 4.470 -0.000 0.000 0.311 79 S C -1.412 173.467 174.600 0.465 0.000 1.152 79 S CA -0.314 58.043 58.200 0.262 0.000 0.864 79 S CB 2.381 65.636 63.200 0.092 0.000 1.226 79 S HN 1.734 nan 8.310 nan 0.000 0.541 80 Y N -2.004 118.445 120.300 0.249 0.000 2.764 80 Y HA 0.845 5.395 4.550 -0.000 0.000 0.331 80 Y C -0.961 175.024 175.900 0.142 0.000 1.280 80 Y CA -0.819 57.405 58.100 0.207 0.000 1.065 80 Y CB 1.081 39.731 38.460 0.318 0.000 1.319 80 Y HN 0.920 nan 8.280 nan 0.000 0.453 81 S N 0.552 116.362 115.700 0.184 0.000 2.603 81 S HA 0.477 4.947 4.470 -0.000 0.000 0.274 81 S C -2.049 172.701 174.600 0.251 0.000 1.168 81 S CA -0.941 57.306 58.200 0.079 0.000 0.963 81 S CB 0.932 64.151 63.200 0.031 0.000 1.078 81 S HN 0.628 nan 8.310 nan 0.000 0.477 82 K N 3.781 124.324 120.400 0.239 0.000 2.292 82 K HA 0.589 4.909 4.320 -0.000 0.000 0.270 82 K C 0.009 176.672 176.600 0.106 0.000 1.062 82 K CA -0.552 55.838 56.287 0.171 0.000 0.916 82 K CB 0.871 33.469 32.500 0.164 0.000 1.166 82 K HN 0.753 nan 8.250 nan 0.000 0.458 83 R N 0.007 120.560 120.500 0.089 0.000 4.183 83 R HA -0.160 4.180 4.340 -0.000 0.000 0.290 83 R C -0.610 175.737 176.300 0.080 0.000 0.241 83 R CA 0.243 56.382 56.100 0.064 0.000 0.985 83 R CB -1.043 29.285 30.300 0.047 0.000 1.166 83 R HN 0.740 nan 8.270 nan 0.000 0.474 84 A N 0.561 123.416 122.820 0.058 0.000 2.567 84 A HA 0.406 4.726 4.320 -0.000 0.000 0.240 84 A C 1.302 178.922 177.584 0.060 0.000 1.053 84 A CA 1.494 53.569 52.037 0.062 0.000 0.755 84 A CB -0.141 18.884 19.000 0.040 0.000 0.978 84 A HN 1.246 nan 8.150 nan 0.000 0.507 85 G N 1.321 110.166 108.800 0.074 0.000 3.511 85 G HA2 0.028 3.988 3.960 -0.000 0.000 0.218 85 G HA3 0.028 3.988 3.960 -0.000 0.000 0.218 85 G C 1.221 176.164 174.900 0.071 0.000 1.001 85 G CA 0.577 45.709 45.100 0.054 0.000 0.877 85 G HN 1.546 nan 8.290 nan 0.000 0.450 86 G N 0.688 109.546 108.800 0.095 0.000 2.440 86 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.218 86 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.218 86 G C 1.620 176.601 174.900 0.135 0.000 1.154 86 G CA 1.796 46.943 45.100 0.079 0.000 0.767 86 G HN 0.419 nan 8.290 nan 0.000 0.552 87 Q N 0.429 120.336 119.800 0.179 0.000 2.084 87 Q HA -0.061 4.279 4.340 -0.000 0.000 0.202 87 Q C 2.807 178.921 176.000 0.190 0.000 0.978 87 Q CA 1.519 57.442 55.803 0.200 0.000 0.844 87 Q CB -0.959 27.879 28.738 0.167 0.000 0.898 87 Q HN 0.458 nan 8.270 nan 0.000 0.426 88 G N 0.806 109.685 108.800 0.133 0.000 2.402 88 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.216 88 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.216 88 G C 1.601 176.571 174.900 0.117 0.000 1.162 88 G CA 0.417 45.580 45.100 0.106 0.000 0.777 88 G HN 0.271 nan 8.290 nan 0.000 0.539 89 I N -0.700 119.938 120.570 0.113 0.000 2.179 89 I HA -0.167 4.003 4.170 -0.000 0.000 0.242 89 I C 2.461 178.661 176.117 0.139 0.000 1.088 89 I CA 1.275 62.640 61.300 0.108 0.000 1.357 89 I CB -0.340 37.708 38.000 0.081 0.000 1.051 89 I HN 0.221 nan 8.210 nan 0.000 0.409 90 Y N 1.896 122.227 120.300 0.052 0.000 2.145 90 Y HA -0.289 4.261 4.550 -0.000 0.000 0.286 90 Y C 2.544 178.482 175.900 0.063 0.000 1.145 90 Y CA 1.444 59.573 58.100 0.050 0.000 1.148 90 Y CB -0.496 37.990 38.460 0.043 0.000 0.981 90 Y HN 0.113 nan 8.280 nan 0.000 0.507 91 A N -0.551 122.303 122.820 0.058 0.000 1.883 91 A HA -0.298 4.021 4.320 -0.000 0.000 0.217 91 A C 2.096 179.648 177.584 -0.054 0.000 1.186 91 A CA 2.206 54.232 52.037 -0.019 0.000 0.624 91 A CB -1.371 17.691 19.000 0.104 0.000 0.822 91 A HN 0.726 nan 8.150 nan 0.000 0.444 92 H N -0.260 118.767 119.070 -0.072 0.000 2.357 92 H HA 0.110 4.666 4.556 -0.000 0.000 0.301 92 H C 2.226 177.478 175.328 -0.128 0.000 1.082 92 H CA 1.708 57.709 56.048 -0.078 0.000 1.342 92 H CB -0.335 29.397 29.762 -0.050 0.000 1.389 92 H HN 0.389 nan 8.280 nan 0.000 0.511 93 A N 0.911 123.632 122.820 -0.165 0.000 1.908 93 A HA -0.246 4.074 4.320 -0.000 0.000 0.218 93 A C 2.316 179.701 177.584 -0.333 0.000 1.181 93 A CA 2.023 53.915 52.037 -0.241 0.000 0.627 93 A CB -0.666 18.248 19.000 -0.142 0.000 0.818 93 A HN 0.528 nan 8.150 nan 0.000 0.445 94 K N -0.359 119.827 120.400 -0.356 0.000 2.097 94 K HA -0.172 4.148 4.320 -0.000 0.000 0.206 94 K C 1.932 178.419 176.600 -0.187 0.000 1.049 94 K CA 1.667 57.806 56.287 -0.247 0.000 0.933 94 K CB -0.156 32.134 32.500 -0.350 0.000 0.717 94 K HN 0.596 nan 8.250 nan 0.000 0.442 95 E N 0.497 120.556 120.200 -0.235 0.000 2.418 95 E HA -0.090 4.260 4.350 -0.000 0.000 0.197 95 E C 1.617 178.042 176.600 -0.291 0.000 1.026 95 E CA 0.872 57.150 56.400 -0.202 0.000 0.862 95 E CB 0.083 29.690 29.700 -0.154 0.000 0.799 95 E HN 0.620 nan 8.360 nan 0.000 0.518 96 I N -4.870 115.451 120.570 -0.415 0.000 4.288 96 I HA 0.392 4.562 4.170 -0.000 0.000 0.331 96 I C 2.008 177.873 176.117 -0.420 0.000 1.322 96 I CA 0.189 61.259 61.300 -0.384 0.000 1.149 96 I CB 0.297 38.047 38.000 -0.416 0.000 1.112 96 I HN -0.087 nan 8.210 nan 0.000 0.403 97 A N 2.957 125.425 122.820 -0.588 0.000 1.948 97 A HA -0.299 4.020 4.320 -0.000 0.000 0.220 97 A C 2.100 179.213 177.584 -0.785 0.000 1.177 97 A CA 2.371 53.955 52.037 -0.755 0.000 0.636 97 A CB -0.944 17.404 19.000 -1.087 0.000 0.815 97 A HN 0.751 nan 8.150 nan 0.000 0.449 98 D N -0.223 119.667 120.400 -0.850 0.000 2.351 98 D HA -0.174 4.466 4.640 -0.000 0.000 0.216 98 D C 1.087 177.255 176.300 -0.220 0.000 0.968 98 D CA 1.067 54.806 54.000 -0.435 0.000 0.899 98 D CB -0.758 39.940 40.800 -0.170 0.000 0.907 98 D HN 0.462 nan 8.370 nan 0.000 0.514 99 N N 0.436 119.002 118.700 -0.223 0.000 2.381 99 N HA -0.049 4.691 4.740 -0.000 0.000 0.182 99 N C 2.040 177.486 175.510 -0.106 0.000 1.025 99 N CA 0.305 53.277 53.050 -0.130 0.000 0.888 99 N CB 0.064 38.481 38.487 -0.117 0.000 0.965 99 N HN 0.383 nan 8.380 nan 0.000 0.438 100 L N 0.872 122.009 121.223 -0.143 0.000 2.156 100 L HA 0.007 4.347 4.340 -0.000 0.000 0.208 100 L C 0.780 177.622 176.870 -0.047 0.000 1.095 100 L CA 0.277 55.059 54.840 -0.096 0.000 0.770 100 L CB -0.282 41.704 42.059 -0.121 0.000 0.914 100 L HN 0.054 nan 8.230 nan 0.000 0.439 101 L N 0.812 122.011 121.223 -0.039 0.000 2.559 101 L HA 0.018 4.358 4.340 -0.000 0.000 0.274 101 L C 1.364 178.242 176.870 0.013 0.000 1.205 101 L CA 0.749 55.596 54.840 0.011 0.000 0.907 101 L CB -0.151 41.927 42.059 0.032 0.000 1.153 101 L HN 0.418 nan 8.230 nan 0.000 0.490 102 G N 1.531 110.348 108.800 0.027 0.000 2.176 102 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.253 102 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.253 102 G C 0.238 175.146 174.900 0.013 0.000 0.979 102 G CA -0.322 44.792 45.100 0.022 0.000 0.641 102 G HN 0.566 nan 8.290 nan 0.000 0.530 103 E N 0.887 121.090 120.200 0.006 0.000 2.319 103 E HA 0.342 4.692 4.350 -0.000 0.000 0.268 103 E C -0.432 176.168 176.600 0.001 0.000 1.050 103 E CA -0.624 55.775 56.400 -0.001 0.000 0.878 103 E CB 1.046 30.739 29.700 -0.012 0.000 1.066 103 E HN 0.259 nan 8.360 nan 0.000 0.406 104 D N 3.305 123.701 120.400 -0.007 0.000 2.338 104 D HA 0.040 4.680 4.640 -0.000 0.000 0.255 104 D C -1.518 174.763 176.300 -0.032 0.000 1.237 104 D CA -1.828 52.164 54.000 -0.013 0.000 0.883 104 D CB 0.990 41.778 40.800 -0.020 0.000 1.087 104 D HN 0.042 nan 8.370 nan 0.000 0.485 105 P HA -0.119 nan 4.420 nan 0.000 0.228 105 P C 0.334 177.565 177.300 -0.116 0.000 1.151 105 P CA 0.822 63.888 63.100 -0.056 0.000 0.770 105 P CB 0.328 32.013 31.700 -0.024 0.000 0.786 106 N N -0.183 118.445 118.700 -0.120 0.000 2.409 106 N HA -0.043 4.697 4.740 -0.000 0.000 0.179 106 N C 0.198 175.604 175.510 -0.173 0.000 1.032 106 N CA 0.463 53.410 53.050 -0.172 0.000 0.898 106 N CB -0.279 38.121 38.487 -0.145 0.000 0.971 106 N HN 0.037 nan 8.380 nan 0.000 0.441 107 D N 0.754 121.085 120.400 -0.115 0.000 2.713 107 D HA 0.131 4.771 4.640 -0.000 0.000 0.229 107 D C 1.092 177.342 176.300 -0.083 0.000 1.136 107 D CA -0.023 53.925 54.000 -0.087 0.000 1.010 107 D CB -0.078 40.695 40.800 -0.045 0.000 1.084 107 D HN 0.278 nan 8.370 nan 0.000 0.495 108 I N -0.187 120.291 120.570 -0.153 0.000 2.151 108 I HA -0.262 3.908 4.170 -0.000 0.000 0.243 108 I C 2.039 178.172 176.117 0.027 0.000 1.080 108 I CA 1.160 62.383 61.300 -0.127 0.000 1.339 108 I CB 0.068 37.854 38.000 -0.357 0.000 1.039 108 I HN 0.167 nan 8.210 nan 0.000 0.409 109 D N 0.733 121.146 120.400 0.022 0.000 2.149 109 D HA -0.187 4.453 4.640 -0.000 0.000 0.201 109 D C 2.163 178.519 176.300 0.094 0.000 0.972 109 D CA 1.025 55.068 54.000 0.072 0.000 0.835 109 D CB 0.134 40.948 40.800 0.023 0.000 0.966 109 D HN 0.270 nan 8.370 nan 0.000 0.476 110 K N 0.682 121.115 120.400 0.054 0.000 2.057 110 K HA -0.116 4.204 4.320 -0.000 0.000 0.207 110 K C 2.315 178.965 176.600 0.084 0.000 1.049 110 K CA 0.750 57.074 56.287 0.063 0.000 0.931 110 K CB -0.017 32.500 32.500 0.029 0.000 0.714 110 K HN 0.110 nan 8.250 nan 0.000 0.440 111 I N 0.005 120.613 120.570 0.063 0.000 2.252 111 I HA -0.274 3.896 4.170 -0.000 0.000 0.245 111 I C 2.130 178.294 176.117 0.078 0.000 1.102 111 I CA 1.115 62.443 61.300 0.046 0.000 1.385 111 I CB -0.271 37.730 38.000 0.003 0.000 1.064 111 I HN 0.238 nan 8.210 nan 0.000 0.414 112 Y N 1.515 121.820 120.300 0.009 0.000 2.128 112 Y HA -0.337 4.213 4.550 -0.000 0.000 0.284 112 Y C 2.785 178.694 175.900 0.015 0.000 1.154 112 Y CA 2.252 60.361 58.100 0.016 0.000 1.149 112 Y CB -0.209 38.268 38.460 0.028 0.000 0.976 112 Y HN 0.086 nan 8.280 nan 0.000 0.505 113 T N 0.063 114.779 114.554 0.269 0.000 2.746 113 T HA -0.222 4.128 4.350 -0.000 0.000 0.267 113 T C 1.840 176.673 174.700 0.222 0.000 1.039 113 T CA 1.675 63.892 62.100 0.196 0.000 1.142 113 T CB -0.247 68.737 68.868 0.194 0.000 0.866 113 T HN 0.278 nan 8.240 nan 0.000 0.444 114 K N 0.755 121.274 120.400 0.198 0.000 2.057 114 K HA -0.008 4.312 4.320 -0.000 0.000 0.207 114 K C 2.182 178.860 176.600 0.130 0.000 1.049 114 K CA 1.023 57.424 56.287 0.190 0.000 0.931 114 K CB -0.248 32.308 32.500 0.094 0.000 0.714 114 K HN 0.304 nan 8.250 nan 0.000 0.440 115 L N 0.855 122.098 121.223 0.034 0.000 2.093 115 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 115 L C 2.368 179.235 176.870 -0.005 0.000 1.085 115 L CA 0.820 55.635 54.840 -0.042 0.000 0.755 115 L CB -0.333 41.628 42.059 -0.164 0.000 0.904 115 L HN 0.224 nan 8.230 nan 0.000 0.435 116 L N -1.776 119.444 121.223 -0.004 0.000 2.056 116 L HA -0.199 4.141 4.340 -0.000 0.000 0.207 116 L C 2.403 179.228 176.870 -0.075 0.000 1.078 116 L CA 1.588 56.394 54.840 -0.057 0.000 0.749 116 L CB -0.466 41.523 42.059 -0.117 0.000 0.901 116 L HN 0.323 nan 8.230 nan 0.000 0.433 117 W N -0.395 120.929 121.300 0.039 0.000 2.388 117 W HA -0.155 4.505 4.660 -0.000 0.000 0.294 117 W C 2.634 179.163 176.519 0.017 0.000 1.212 117 W CA 0.776 58.137 57.345 0.027 0.000 1.271 117 W CB -0.165 29.306 29.460 0.018 0.000 1.126 117 W HN 0.085 nan 8.180 nan 0.000 0.535 118 A N -0.273 122.684 122.820 0.228 0.000 2.070 118 A HA 0.015 4.335 4.320 -0.000 0.000 0.220 118 A C 1.825 179.473 177.584 0.107 0.000 1.159 118 A CA 1.618 53.727 52.037 0.119 0.000 0.656 118 A CB -0.926 18.091 19.000 0.028 0.000 0.800 118 A HN 0.256 nan 8.150 nan 0.000 0.453 119 G N -1.971 106.906 108.800 0.127 0.000 4.432 119 G HA2 0.433 4.393 3.960 -0.000 0.000 0.294 119 G HA3 0.433 4.393 3.960 -0.000 0.000 0.294 119 G C 0.912 175.865 174.900 0.089 0.000 1.141 119 G CA 0.757 45.959 45.100 0.170 0.000 0.895 119 G HN 0.528 nan 8.290 nan 0.000 0.548 120 A N 0.406 123.278 122.820 0.087 0.000 1.986 120 A HA -0.089 4.231 4.320 -0.000 0.000 0.220 120 A C 2.514 180.107 177.584 0.016 0.000 1.171 120 A CA 2.305 54.356 52.037 0.024 0.000 0.640 120 A CB -0.405 18.678 19.000 0.139 0.000 0.811 120 A HN 0.476 nan 8.150 nan 0.000 0.451 121 S N -0.729 114.998 115.700 0.045 0.000 2.419 121 S HA -0.093 4.377 4.470 -0.000 0.000 0.233 121 S C 1.446 176.040 174.600 -0.010 0.000 1.016 121 S CA 1.506 59.722 58.200 0.026 0.000 0.974 121 S CB -0.474 62.749 63.200 0.039 0.000 0.786 121 S HN 0.893 nan 8.310 nan 0.000 0.492 122 V N -1.332 118.561 119.914 -0.036 0.000 3.342 122 V HA 0.653 4.773 4.120 -0.000 0.000 0.322 122 V C 0.807 176.844 176.094 -0.095 0.000 1.370 122 V CA -0.061 62.185 62.300 -0.089 0.000 1.170 122 V CB -1.063 30.646 31.823 -0.189 0.000 1.101 122 V HN 0.490 nan 8.190 nan 0.000 0.442 123 G N 1.556 110.315 108.800 -0.068 0.000 2.728 123 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.294 123 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.294 123 G C -0.081 174.784 174.900 -0.059 0.000 1.342 123 G CA -0.086 44.976 45.100 -0.063 0.000 0.866 123 G HN 0.458 nan 8.290 nan 0.000 0.534 124 R N 0.064 120.542 120.500 -0.037 0.000 2.629 124 R HA 0.478 4.818 4.340 -0.000 0.000 0.386 124 R C 0.555 176.875 176.300 0.034 0.000 1.071 124 R CA 0.510 56.606 56.100 -0.007 0.000 1.104 124 R CB 0.668 30.951 30.300 -0.029 0.000 1.370 124 R HN 1.043 nan 8.270 nan 0.000 0.574 125 S N -1.744 113.969 115.700 0.021 0.000 2.656 125 S HA 0.800 5.270 4.470 -0.000 0.000 0.273 125 S C 0.347 174.958 174.600 0.018 0.000 1.168 125 S CA -0.278 57.946 58.200 0.041 0.000 0.817 125 S CB 2.050 65.273 63.200 0.039 0.000 1.146 125 S HN 0.297 nan 8.310 nan 0.000 0.475 126 G N 1.319 110.137 108.800 0.030 0.000 2.562 126 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.250 126 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.250 126 G C 0.676 175.573 174.900 -0.006 0.000 1.269 126 G CA 0.433 45.539 45.100 0.009 0.000 0.919 126 G HN 1.419 nan 8.290 nan 0.000 0.574 127 M N 0.141 119.724 119.600 -0.029 0.000 2.089 127 M HA -0.113 4.367 4.480 -0.000 0.000 0.257 127 M C 2.871 179.137 176.300 -0.056 0.000 1.071 127 M CA 3.578 58.855 55.300 -0.038 0.000 1.096 127 M CB -0.633 31.939 32.600 -0.048 0.000 1.330 127 M HN 1.342 nan 8.290 nan 0.000 0.403 128 A N -0.367 122.374 122.820 -0.132 0.000 1.917 128 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 128 A C 2.044 179.624 177.584 -0.006 0.000 1.182 128 A CA 2.317 54.239 52.037 -0.191 0.000 0.633 128 A CB -1.469 17.353 19.000 -0.297 0.000 0.819 128 A HN 0.653 nan 8.150 nan 0.000 0.448 129 V N -2.915 117.010 119.914 0.017 0.000 2.871 129 V HA -0.168 3.952 4.120 -0.000 0.000 0.256 129 V C 1.923 178.056 176.094 0.066 0.000 1.082 129 V CA 1.972 64.315 62.300 0.072 0.000 1.105 129 V CB -0.967 30.952 31.823 0.161 0.000 0.713 129 V HN 0.590 nan 8.190 nan 0.000 0.473 130 Q N 0.516 120.343 119.800 0.045 0.000 2.369 130 Q HA 0.136 4.476 4.340 -0.000 0.000 0.206 130 Q C 2.272 178.293 176.000 0.035 0.000 0.963 130 Q CA 1.280 57.103 55.803 0.034 0.000 0.894 130 Q CB -0.163 28.574 28.738 -0.001 0.000 0.965 130 Q HN 0.807 nan 8.270 nan 0.000 0.475 131 A N 0.076 122.924 122.820 0.047 0.000 2.072 131 A HA 0.009 4.329 4.320 -0.000 0.000 0.216 131 A C 1.765 179.346 177.584 -0.005 0.000 1.156 131 A CA 0.454 52.525 52.037 0.056 0.000 0.701 131 A CB -0.031 19.062 19.000 0.154 0.000 0.816 131 A HN 0.260 nan 8.150 nan 0.000 0.458 132 I N -0.724 119.819 120.570 -0.044 0.000 2.852 132 I HA -0.105 4.065 4.170 -0.000 0.000 0.264 132 I C 2.340 178.402 176.117 -0.092 0.000 1.179 132 I CA 0.532 61.729 61.300 -0.171 0.000 1.480 132 I CB -0.062 37.676 38.000 -0.437 0.000 1.111 132 I HN 0.170 nan 8.210 nan 0.000 0.441 133 S N 1.712 117.416 115.700 0.006 0.000 2.368 133 S HA -0.153 4.317 4.470 -0.000 0.000 0.226 133 S C -0.402 174.221 174.600 0.037 0.000 1.044 133 S CA 1.839 60.073 58.200 0.058 0.000 1.062 133 S CB -1.440 61.795 63.200 0.058 0.000 0.931 133 S HN 0.306 nan 8.310 nan 0.000 0.440 134 P HA -0.059 nan 4.420 nan 0.000 0.215 134 P C 1.306 178.638 177.300 0.054 0.000 1.153 134 P CA 1.007 64.144 63.100 0.061 0.000 0.853 134 P CB -0.116 31.644 31.700 0.099 0.000 0.788 135 I N -0.538 120.040 120.570 0.015 0.000 2.202 135 I HA -0.242 3.928 4.170 -0.000 0.000 0.242 135 I C 2.231 178.370 176.117 0.036 0.000 1.091 135 I CA 1.837 63.134 61.300 -0.004 0.000 1.368 135 I CB -0.787 37.166 38.000 -0.078 0.000 1.058 135 I HN -0.046 nan 8.210 nan 0.000 0.410 136 D N 1.322 121.759 120.400 0.062 0.000 2.104 136 D HA -0.196 4.444 4.640 -0.000 0.000 0.194 136 D C 2.158 178.632 176.300 0.291 0.000 0.994 136 D CA 1.510 55.631 54.000 0.202 0.000 0.830 136 D CB -0.019 40.984 40.800 0.338 0.000 0.959 136 D HN 0.286 nan 8.370 nan 0.000 0.452 137 I N 0.341 121.028 120.570 0.196 0.000 2.252 137 I HA -0.217 3.953 4.170 -0.000 0.000 0.245 137 I C 2.493 178.711 176.117 0.168 0.000 1.102 137 I CA 0.969 62.368 61.300 0.165 0.000 1.385 137 I CB -0.368 37.630 38.000 -0.003 0.000 1.064 137 I HN 0.087 nan 8.210 nan 0.000 0.414 138 A N 1.016 123.911 122.820 0.126 0.000 1.933 138 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 138 A C 2.294 179.939 177.584 0.102 0.000 1.175 138 A CA 1.389 53.499 52.037 0.121 0.000 0.628 138 A CB -0.810 18.254 19.000 0.106 0.000 0.814 138 A HN 0.388 nan 8.150 nan 0.000 0.444 139 L N -2.853 118.411 121.223 0.069 0.000 2.083 139 L HA -0.203 4.137 4.340 -0.000 0.000 0.209 139 L C 2.566 179.393 176.870 -0.072 0.000 1.083 139 L CA 1.196 56.019 54.840 -0.028 0.000 0.752 139 L CB -0.475 41.525 42.059 -0.099 0.000 0.899 139 L HN 0.598 nan 8.230 nan 0.000 0.433 140 W N 0.633 121.932 121.300 -0.001 0.000 2.381 140 W HA -0.194 4.465 4.660 -0.000 0.000 0.301 140 W C 2.393 178.888 176.519 -0.040 0.000 1.205 140 W CA 1.368 58.699 57.345 -0.024 0.000 1.285 140 W CB -0.283 29.160 29.460 -0.029 0.000 1.133 140 W HN 0.226 nan 8.180 nan 0.000 0.521 141 D N -0.017 120.503 120.400 0.200 0.000 2.123 141 D HA -0.281 4.359 4.640 -0.000 0.000 0.196 141 D C 2.148 178.500 176.300 0.086 0.000 0.992 141 D CA 2.025 56.093 54.000 0.112 0.000 0.833 141 D CB -0.387 40.483 40.800 0.117 0.000 0.954 141 D HN 0.059 nan 8.370 nan 0.000 0.455 142 M N -0.148 119.494 119.600 0.070 0.000 2.086 142 M HA -0.177 4.303 4.480 -0.000 0.000 0.261 142 M C 2.184 178.451 176.300 -0.056 0.000 1.067 142 M CA 1.549 56.875 55.300 0.043 0.000 1.116 142 M CB -0.124 32.501 32.600 0.041 0.000 1.348 142 M HN -0.068 nan 8.290 nan 0.000 0.407 143 K N 0.112 120.452 120.400 -0.100 0.000 2.063 143 K HA -0.163 4.157 4.320 -0.000 0.000 0.208 143 K C 1.784 178.320 176.600 -0.107 0.000 1.048 143 K CA 1.574 57.762 56.287 -0.165 0.000 0.928 143 K CB -0.224 32.142 32.500 -0.223 0.000 0.713 143 K HN 0.445 nan 8.250 nan 0.000 0.442 144 A N 1.369 124.179 122.820 -0.017 0.000 1.883 144 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 144 A C 1.933 179.481 177.584 -0.061 0.000 1.186 144 A CA 1.864 53.889 52.037 -0.020 0.000 0.624 144 A CB -0.413 18.589 19.000 0.003 0.000 0.822 144 A HN 0.335 nan 8.150 nan 0.000 0.444 145 K N -0.890 119.509 120.400 -0.001 0.000 2.057 145 K HA -0.141 4.179 4.320 -0.000 0.000 0.207 145 K C 2.341 178.953 176.600 0.019 0.000 1.049 145 K CA 1.397 57.731 56.287 0.078 0.000 0.931 145 K CB -0.183 32.431 32.500 0.189 0.000 0.714 145 K HN 0.477 nan 8.250 nan 0.000 0.440 146 R N 0.690 121.085 120.500 -0.175 0.000 2.127 146 R HA -0.124 4.216 4.340 -0.000 0.000 0.238 146 R C 1.715 177.887 176.300 -0.214 0.000 1.134 146 R CA 1.540 57.359 56.100 -0.468 0.000 0.975 146 R CB -0.096 29.742 30.300 -0.770 0.000 0.865 146 R HN 0.180 nan 8.270 nan 0.000 0.447 147 A N -0.350 122.369 122.820 -0.167 0.000 2.275 147 A HA 0.237 4.557 4.320 -0.000 0.000 0.212 147 A C 1.104 178.587 177.584 -0.169 0.000 1.201 147 A CA 0.559 52.516 52.037 -0.132 0.000 0.843 147 A CB 0.032 18.966 19.000 -0.111 0.000 0.873 147 A HN 0.518 nan 8.150 nan 0.000 0.492 148 G N -0.551 108.095 108.800 -0.256 0.000 2.272 148 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.280 148 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.280 148 G C -0.228 174.164 174.900 -0.847 0.000 1.067 148 G CA 0.686 45.413 45.100 -0.621 0.000 0.902 148 G HN 0.566 nan 8.290 nan 0.000 0.500 149 L N -1.268 119.611 121.223 -0.574 0.000 2.393 149 L HA 0.549 4.889 4.340 -0.000 0.000 0.260 149 L C -2.417 174.391 176.870 -0.104 0.000 1.002 149 L CA -2.692 51.986 54.840 -0.270 0.000 0.818 149 L CB 2.555 44.540 42.059 -0.124 0.000 1.369 149 L HN -0.153 nan 8.230 nan 0.000 0.412 150 P HA 0.059 nan 4.420 nan 0.000 0.272 150 P C 0.421 177.701 177.300 -0.033 0.000 1.223 150 P CA -0.423 62.713 63.100 0.060 0.000 0.784 150 P CB 0.747 32.543 31.700 0.160 0.000 0.923 151 L N 3.754 124.821 121.223 -0.259 0.000 2.043 151 L HA -0.246 4.094 4.340 -0.000 0.000 0.212 151 L C 2.082 178.929 176.870 -0.038 0.000 1.075 151 L CA 2.444 57.135 54.840 -0.249 0.000 0.752 151 L CB -1.608 40.114 42.059 -0.561 0.000 0.891 151 L HN 0.424 nan 8.230 nan 0.000 0.432 152 A N -0.920 122.009 122.820 0.181 0.000 1.940 152 A HA -0.216 4.104 4.320 -0.000 0.000 0.219 152 A C 2.244 179.875 177.584 0.078 0.000 1.176 152 A CA 1.857 54.005 52.037 0.186 0.000 0.631 152 A CB -0.497 18.648 19.000 0.241 0.000 0.814 152 A HN 0.428 nan 8.150 nan 0.000 0.446 153 K N -0.839 119.599 120.400 0.064 0.000 2.167 153 K HA 0.005 4.325 4.320 -0.000 0.000 0.203 153 K C 1.858 178.466 176.600 0.012 0.000 1.052 153 K CA 0.977 57.279 56.287 0.025 0.000 0.956 153 K CB -0.644 31.868 32.500 0.019 0.000 0.735 153 K HN 0.489 nan 8.250 nan 0.000 0.451 154 L N 1.146 122.381 121.223 0.020 0.000 2.056 154 L HA -0.084 4.256 4.340 -0.000 0.000 0.207 154 L C 1.921 178.831 176.870 0.066 0.000 1.078 154 L CA 1.475 56.339 54.840 0.041 0.000 0.749 154 L CB -0.397 41.707 42.059 0.075 0.000 0.901 154 L HN 0.025 nan 8.230 nan 0.000 0.433 155 L N -0.126 121.127 121.223 0.050 0.000 2.156 155 L HA 0.222 4.562 4.340 -0.000 0.000 0.208 155 L C 0.897 177.775 176.870 0.013 0.000 1.095 155 L CA 0.450 55.308 54.840 0.029 0.000 0.770 155 L CB -0.894 41.148 42.059 -0.027 0.000 0.914 155 L HN 0.512 nan 8.230 nan 0.000 0.439 156 G N 0.159 108.957 108.800 -0.004 0.000 3.434 156 G HA2 0.154 4.114 3.960 -0.000 0.000 0.686 156 G HA3 0.154 4.114 3.960 -0.000 0.000 0.686 156 G C -0.654 174.199 174.900 -0.078 0.000 1.099 156 G CA -0.554 44.515 45.100 -0.053 0.000 0.931 156 G HN 0.376 nan 8.290 nan 0.000 0.520 157 A N 2.799 125.564 122.820 -0.093 0.000 2.294 157 A HA 0.881 5.201 4.320 -0.000 0.000 0.330 157 A C 0.657 178.125 177.584 -0.193 0.000 1.133 157 A CA -0.460 51.534 52.037 -0.072 0.000 0.836 157 A CB 0.952 19.947 19.000 -0.009 0.000 1.190 157 A HN 0.921 nan 8.150 nan 0.000 0.492 158 H N 0.338 119.407 119.070 -0.001 0.000 2.874 158 H HA 0.166 4.722 4.556 -0.000 0.000 0.264 158 H C 0.132 175.445 175.328 -0.026 0.000 1.007 158 H CA 0.772 56.811 56.048 -0.015 0.000 1.207 158 H CB 0.545 30.295 29.762 -0.020 0.000 1.487 158 H HN 0.759 nan 8.280 nan 0.000 0.505 159 R N -0.332 120.203 120.500 0.058 0.000 2.692 159 R HA 0.223 4.563 4.340 -0.000 0.000 0.269 159 R C -1.268 175.004 176.300 -0.048 0.000 1.030 159 R CA -0.633 55.458 56.100 -0.015 0.000 0.882 159 R CB 1.055 31.325 30.300 -0.050 0.000 1.250 159 R HN -0.263 nan 8.270 nan 0.000 0.465 160 D N 0.615 120.963 120.400 -0.087 0.000 2.369 160 D HA 0.097 4.737 4.640 -0.000 0.000 0.211 160 D C -0.256 175.920 176.300 -0.207 0.000 1.077 160 D CA 0.582 54.545 54.000 -0.062 0.000 0.842 160 D CB 0.731 41.567 40.800 0.058 0.000 0.947 160 D HN 0.586 nan 8.370 nan 0.000 0.509 161 S N -0.564 114.894 115.700 -0.402 0.000 2.567 161 S HA 0.565 5.035 4.470 -0.000 0.000 0.270 161 S C -0.880 173.452 174.600 -0.447 0.000 1.152 161 S CA -0.937 56.881 58.200 -0.637 0.000 0.835 161 S CB 2.218 64.445 63.200 -1.621 0.000 1.115 161 S HN -0.018 nan 8.310 nan 0.000 0.459 162 V N -0.650 119.043 119.914 -0.367 0.000 2.789 162 V HA 0.636 4.756 4.120 -0.000 0.000 0.311 162 V C -0.587 175.345 176.094 -0.270 0.000 1.073 162 V CA -0.929 61.212 62.300 -0.263 0.000 0.921 162 V CB 1.459 33.202 31.823 -0.133 0.000 1.009 162 V HN 1.054 nan 8.190 nan 0.000 0.426 163 Q N 2.031 121.604 119.800 -0.378 0.000 2.310 163 Q HA 0.266 4.606 4.340 -0.000 0.000 0.315 163 Q C -0.278 175.615 176.000 -0.178 0.000 1.081 163 Q CA 0.587 56.083 55.803 -0.512 0.000 0.981 163 Q CB 0.860 28.823 28.738 -1.293 0.000 1.184 163 Q HN 0.900 nan 8.270 nan 0.000 0.389 164 C N 4.082 123.415 119.300 0.055 0.000 2.547 164 C HA 0.707 5.167 4.460 -0.000 0.000 0.313 164 C C -1.396 173.851 174.990 0.427 0.000 1.191 164 C CA -0.660 58.514 59.018 0.259 0.000 1.474 164 C CB 0.238 28.042 27.740 0.106 0.000 2.081 164 C HN 0.844 nan 8.230 nan 0.000 0.476 165 Y N 4.441 124.951 120.300 0.350 0.000 2.524 165 Y HA 0.605 5.155 4.550 -0.000 0.000 0.344 165 Y C -0.460 175.497 175.900 0.096 0.000 1.012 165 Y CA -1.031 57.161 58.100 0.154 0.000 1.068 165 Y CB 0.824 39.221 38.460 -0.105 0.000 1.249 165 Y HN 0.724 nan 8.280 nan 0.000 0.468 166 N N 0.951 119.700 118.700 0.083 0.000 2.473 166 N HA 0.297 5.037 4.740 -0.000 0.000 0.291 166 N C -0.610 174.882 175.510 -0.030 0.000 1.083 166 N CA -0.116 52.924 53.050 -0.016 0.000 0.951 166 N CB 2.096 40.596 38.487 0.021 0.000 1.164 166 N HN 0.977 nan 8.380 nan 0.000 0.480 167 T N 0.239 114.623 114.554 -0.282 0.000 3.019 167 T HA -0.037 4.313 4.350 -0.000 0.000 0.247 167 T C 1.792 176.276 174.700 -0.360 0.000 0.992 167 T CA 0.575 62.469 62.100 -0.343 0.000 1.036 167 T CB -0.194 68.399 68.868 -0.458 0.000 1.063 167 T HN 0.714 nan 8.240 nan 0.000 0.476 168 S N 1.503 116.878 115.700 -0.540 0.000 2.440 168 S HA -0.010 4.460 4.470 -0.000 0.000 0.238 168 S C 2.021 176.750 174.600 0.214 0.000 1.010 168 S CA 1.162 59.310 58.200 -0.087 0.000 0.972 168 S CB -0.668 62.403 63.200 -0.215 0.000 0.774 168 S HN 0.483 nan 8.310 nan 0.000 0.501 169 G N 0.099 108.949 108.800 0.083 0.000 3.189 169 G HA2 0.467 4.427 3.960 -0.000 0.000 0.225 169 G HA3 0.467 4.427 3.960 -0.000 0.000 0.225 169 G C 0.647 175.574 174.900 0.045 0.000 1.159 169 G CA 0.067 45.220 45.100 0.089 0.000 0.763 169 G HN 0.637 nan 8.290 nan 0.000 0.549 170 G N 0.036 108.846 108.800 0.016 0.000 3.993 170 G HA2 0.428 4.388 3.960 -0.000 0.000 0.294 170 G HA3 0.428 4.388 3.960 -0.000 0.000 0.294 170 G C -0.316 174.489 174.900 -0.158 0.000 1.043 170 G CA -0.553 44.493 45.100 -0.089 0.000 0.839 170 G HN 0.153 nan 8.290 nan 0.000 0.516 171 F N -0.043 119.842 119.950 -0.108 0.000 2.406 171 F HA 0.325 4.852 4.527 -0.000 0.000 0.327 171 F C 1.681 177.368 175.800 -0.189 0.000 1.153 171 F CA -0.434 57.504 58.000 -0.104 0.000 1.218 171 F CB 1.333 40.317 39.000 -0.027 0.000 1.215 171 F HN -0.118 nan 8.300 nan 0.000 0.570 172 L N 1.009 122.297 121.223 0.109 0.000 2.465 172 L HA -0.174 4.166 4.340 -0.000 0.000 0.224 172 L C 1.796 178.705 176.870 0.065 0.000 1.145 172 L CA 0.729 55.602 54.840 0.055 0.000 0.834 172 L CB -0.688 41.418 42.059 0.078 0.000 0.944 172 L HN 0.731 nan 8.230 nan 0.000 0.451 173 H N -3.470 115.692 119.070 0.154 0.000 2.551 173 H HA 0.111 4.667 4.556 -0.000 0.000 0.266 173 H C 0.336 175.714 175.328 0.084 0.000 0.977 173 H CA -0.033 56.073 56.048 0.097 0.000 1.163 173 H CB -0.600 29.210 29.762 0.079 0.000 1.381 173 H HN -0.064 nan 8.280 nan 0.000 0.581 174 T N 3.436 117.815 114.554 -0.292 0.000 2.744 174 T HA 0.260 4.610 4.350 -0.000 0.000 0.291 174 T C -2.475 172.196 174.700 -0.049 0.000 0.957 174 T CA -1.467 60.540 62.100 -0.155 0.000 1.002 174 T CB 1.444 70.192 68.868 -0.200 0.000 0.919 174 T HN 0.172 nan 8.240 nan 0.000 0.468 175 P HA 0.073 nan 4.420 nan 0.000 0.269 175 P C 1.022 178.315 177.300 -0.012 0.000 1.209 175 P CA -0.548 62.553 63.100 0.001 0.000 0.776 175 P CB 0.498 32.206 31.700 0.014 0.000 0.876 176 L N 3.262 124.477 121.223 -0.013 0.000 2.051 176 L HA -0.250 4.090 4.340 -0.000 0.000 0.214 176 L C 1.842 178.701 176.870 -0.018 0.000 1.076 176 L CA 2.045 56.872 54.840 -0.021 0.000 0.758 176 L CB -1.197 40.851 42.059 -0.019 0.000 0.890 176 L HN 0.493 nan 8.230 nan 0.000 0.433 177 D N -1.251 119.144 120.400 -0.009 0.000 2.116 177 D HA -0.305 4.335 4.640 -0.000 0.000 0.193 177 D C 1.994 178.291 176.300 -0.006 0.000 0.998 177 D CA 1.790 55.786 54.000 -0.006 0.000 0.836 177 D CB 0.075 40.875 40.800 0.000 0.000 0.951 177 D HN 0.539 nan 8.370 nan 0.000 0.449 178 Q N 0.397 120.197 119.800 -0.001 0.000 2.167 178 Q HA -0.063 4.277 4.340 -0.000 0.000 0.202 178 Q C 2.219 178.217 176.000 -0.003 0.000 0.970 178 Q CA 1.004 56.810 55.803 0.004 0.000 0.855 178 Q CB -0.295 28.452 28.738 0.015 0.000 0.911 178 Q HN 0.198 nan 8.270 nan 0.000 0.438 179 V N 0.432 120.336 119.914 -0.016 0.000 2.343 179 V HA -0.258 3.862 4.120 -0.000 0.000 0.247 179 V C 2.250 178.326 176.094 -0.030 0.000 1.051 179 V CA 1.718 64.002 62.300 -0.026 0.000 1.036 179 V CB -0.579 31.218 31.823 -0.043 0.000 0.654 179 V HN 0.382 nan 8.190 nan 0.000 0.451 180 L N -0.652 120.553 121.223 -0.031 0.000 2.131 180 L HA -0.183 4.157 4.340 -0.000 0.000 0.210 180 L C 2.562 179.413 176.870 -0.032 0.000 1.092 180 L CA 1.585 56.403 54.840 -0.036 0.000 0.759 180 L CB -0.576 41.464 42.059 -0.032 0.000 0.903 180 L HN 0.297 nan 8.230 nan 0.000 0.435 181 K N -0.212 120.177 120.400 -0.019 0.000 2.057 181 K HA -0.103 4.217 4.320 -0.000 0.000 0.206 181 K C 1.915 178.508 176.600 -0.011 0.000 1.050 181 K CA 1.101 57.380 56.287 -0.013 0.000 0.935 181 K CB -0.120 32.380 32.500 -0.000 0.000 0.715 181 K HN 0.287 nan 8.250 nan 0.000 0.439 182 N N 0.765 119.462 118.700 -0.005 0.000 2.120 182 N HA -0.134 4.606 4.740 -0.000 0.000 0.188 182 N C 1.890 177.391 175.510 -0.016 0.000 1.024 182 N CA 0.969 54.021 53.050 0.003 0.000 0.852 182 N CB -0.471 38.026 38.487 0.017 0.000 1.003 182 N HN -0.064 nan 8.380 nan 0.000 0.424 183 V N 1.101 120.994 119.914 -0.035 0.000 2.324 183 V HA -0.199 3.921 4.120 -0.000 0.000 0.250 183 V C 2.463 178.505 176.094 -0.088 0.000 1.060 183 V CA 1.291 63.553 62.300 -0.063 0.000 1.042 183 V CB -0.548 31.225 31.823 -0.084 0.000 0.650 183 V HN 0.071 nan 8.190 nan 0.000 0.450 184 V N -0.267 119.602 119.914 -0.074 0.000 2.295 184 V HA -0.252 3.868 4.120 -0.000 0.000 0.246 184 V C 2.176 178.239 176.094 -0.052 0.000 1.049 184 V CA 2.227 64.482 62.300 -0.075 0.000 1.024 184 V CB -0.492 31.299 31.823 -0.053 0.000 0.648 184 V HN 0.437 nan 8.190 nan 0.000 0.447 185 I N 0.049 120.602 120.570 -0.028 0.000 2.163 185 I HA -0.258 3.912 4.170 -0.000 0.000 0.243 185 I C 2.602 178.710 176.117 -0.015 0.000 1.085 185 I CA 1.814 63.108 61.300 -0.010 0.000 1.347 185 I CB -0.494 37.511 38.000 0.009 0.000 1.044 185 I HN 0.268 nan 8.210 nan 0.000 0.408 186 S N 0.114 115.802 115.700 -0.020 0.000 2.356 186 S HA -0.202 4.268 4.470 -0.000 0.000 0.223 186 S C 2.085 176.678 174.600 -0.013 0.000 1.032 186 S CA 1.266 59.453 58.200 -0.022 0.000 1.005 186 S CB -0.337 62.858 63.200 -0.008 0.000 0.867 186 S HN 0.338 nan 8.310 nan 0.000 0.449 187 R N 1.077 121.547 120.500 -0.051 0.000 2.081 187 R HA -0.065 4.275 4.340 -0.000 0.000 0.235 187 R C 1.817 178.098 176.300 -0.032 0.000 1.131 187 R CA 1.198 57.249 56.100 -0.083 0.000 0.960 187 R CB -0.073 30.067 30.300 -0.268 0.000 0.856 187 R HN 0.208 nan 8.270 nan 0.000 0.436 188 E N 0.170 120.349 120.200 -0.035 0.000 2.338 188 E HA -0.097 4.253 4.350 -0.000 0.000 0.197 188 E C 0.751 177.355 176.600 0.006 0.000 1.007 188 E CA 0.644 57.036 56.400 -0.013 0.000 0.849 188 E CB -0.125 29.566 29.700 -0.015 0.000 0.774 188 E HN 0.361 nan 8.360 nan 0.000 0.506 189 N N -0.107 118.597 118.700 0.007 0.000 2.314 189 N HA 0.035 4.775 4.740 -0.000 0.000 0.200 189 N C 0.650 176.177 175.510 0.029 0.000 1.135 189 N CA 0.685 53.743 53.050 0.012 0.000 0.835 189 N CB 1.096 39.580 38.487 -0.005 0.000 0.989 189 N HN 0.210 nan 8.380 nan 0.000 0.478 190 G N 1.435 110.267 108.800 0.053 0.000 2.132 190 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.234 190 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.234 190 G C 0.161 175.133 174.900 0.120 0.000 0.989 190 G CA -0.225 44.931 45.100 0.093 0.000 0.676 190 G HN 0.318 nan 8.290 nan 0.000 0.522 191 I N 1.214 121.855 120.570 0.119 0.000 2.813 191 I HA 0.512 4.681 4.170 -0.000 0.000 0.287 191 I C 1.561 177.857 176.117 0.299 0.000 1.196 191 I CA 1.067 62.460 61.300 0.156 0.000 1.421 191 I CB 1.189 39.266 38.000 0.129 0.000 1.365 191 I HN 0.175 nan 8.210 nan 0.000 0.591 192 G N 4.552 113.491 108.800 0.232 0.000 3.126 192 G HA2 0.553 4.513 3.960 -0.000 0.000 0.224 192 G HA3 0.553 4.513 3.960 -0.000 0.000 0.224 192 G C 0.287 175.167 174.900 -0.034 0.000 1.142 192 G CA 0.451 45.629 45.100 0.131 0.000 0.759 192 G HN 1.054 nan 8.290 nan 0.000 0.550 193 G N -0.448 108.425 108.800 0.122 0.000 2.489 193 G HA2 0.447 4.407 3.960 -0.000 0.000 0.291 193 G HA3 0.447 4.407 3.960 -0.000 0.000 0.291 193 G C -1.971 173.031 174.900 0.170 0.000 1.487 193 G CA -0.668 44.400 45.100 -0.054 0.000 0.795 193 G HN 0.003 nan 8.290 nan 0.000 0.513 194 I N 0.592 121.186 120.570 0.040 0.000 2.498 194 I HA 0.505 4.675 4.170 -0.000 0.000 0.290 194 I C -0.331 175.679 176.117 -0.179 0.000 1.032 194 I CA -0.884 60.431 61.300 0.026 0.000 1.073 194 I CB 1.977 40.017 38.000 0.066 0.000 1.251 194 I HN 0.513 nan 8.210 nan 0.000 0.426 195 K N 5.887 126.214 120.400 -0.120 0.000 2.323 195 K HA 0.554 4.874 4.320 -0.000 0.000 0.259 195 K C -1.690 174.791 176.600 -0.198 0.000 0.947 195 K CA -0.655 55.481 56.287 -0.252 0.000 0.819 195 K CB 2.135 34.542 32.500 -0.155 0.000 1.109 195 K HN 0.436 nan 8.250 nan 0.000 0.429 196 L N 4.158 125.243 121.223 -0.230 0.000 2.307 196 L HA 0.404 4.744 4.340 -0.000 0.000 0.284 196 L C -0.816 175.920 176.870 -0.224 0.000 1.023 196 L CA -0.379 54.336 54.840 -0.208 0.000 0.810 196 L CB 1.181 43.127 42.059 -0.189 0.000 1.231 196 L HN 0.462 nan 8.230 nan 0.000 0.423 197 K N 4.500 124.745 120.400 -0.259 0.000 2.322 197 K HA 0.493 4.813 4.320 -0.000 0.000 0.283 197 K C -0.275 176.216 176.600 -0.181 0.000 1.042 197 K CA -0.068 56.061 56.287 -0.263 0.000 0.958 197 K CB 1.279 33.576 32.500 -0.338 0.000 0.984 197 K HN 0.588 nan 8.250 nan 0.000 0.473 198 V N -2.113 117.681 119.914 -0.200 0.000 3.084 198 V HA 0.860 4.980 4.120 -0.000 0.000 0.311 198 V C 0.678 176.594 176.094 -0.297 0.000 1.311 198 V CA -0.223 61.981 62.300 -0.159 0.000 1.062 198 V CB 1.196 32.979 31.823 -0.067 0.000 1.113 198 V HN 0.812 nan 8.190 nan 0.000 0.468 199 G N 0.388 109.022 108.800 -0.276 0.000 2.134 199 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.209 199 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.209 199 G C 0.051 174.880 174.900 -0.119 0.000 0.993 199 G CA 0.413 45.200 45.100 -0.522 0.000 0.669 199 G HN 1.480 nan 8.290 nan 0.000 0.519 200 Q N -0.318 119.495 119.800 0.022 0.000 2.312 200 Q HA 0.644 4.984 4.340 -0.000 0.000 0.236 200 Q C -1.409 174.658 176.000 0.113 0.000 0.965 200 Q CA -1.167 54.667 55.803 0.052 0.000 0.894 200 Q CB 1.234 30.000 28.738 0.047 0.000 1.225 200 Q HN 0.097 nan 8.270 nan 0.000 0.478 201 P HA -0.211 nan 4.420 nan 0.000 0.216 201 P C 0.035 177.392 177.300 0.094 0.000 1.157 201 P CA 1.455 64.611 63.100 0.094 0.000 0.880 201 P CB 0.032 31.770 31.700 0.064 0.000 0.791 202 N N -0.255 118.492 118.700 0.078 0.000 2.466 202 N HA -0.025 4.715 4.740 -0.000 0.000 0.263 202 N C 0.759 176.320 175.510 0.085 0.000 1.178 202 N CA 0.059 53.148 53.050 0.066 0.000 0.983 202 N CB -0.545 37.972 38.487 0.050 0.000 1.331 202 N HN 0.020 nan 8.380 nan 0.000 0.500 203 C N 2.254 121.609 119.300 0.091 0.000 2.413 203 C HA -0.146 4.314 4.460 -0.000 0.000 0.276 203 C C 2.584 177.618 174.990 0.072 0.000 1.248 203 C CA 1.173 60.253 59.018 0.102 0.000 1.742 203 C CB -1.255 26.512 27.740 0.044 0.000 2.017 203 C HN 0.836 nan 8.230 nan 0.000 0.481 204 A N 0.354 123.202 122.820 0.047 0.000 1.940 204 A HA -0.233 4.087 4.320 -0.000 0.000 0.219 204 A C 2.024 179.632 177.584 0.040 0.000 1.176 204 A CA 2.242 54.302 52.037 0.039 0.000 0.631 204 A CB -0.559 18.458 19.000 0.028 0.000 0.814 204 A HN 0.576 nan 8.150 nan 0.000 0.446 205 E N 0.539 120.764 120.200 0.041 0.000 2.110 205 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 205 E C 1.391 178.007 176.600 0.026 0.000 0.988 205 E CA 1.556 57.974 56.400 0.031 0.000 0.804 205 E CB -0.297 29.422 29.700 0.032 0.000 0.745 205 E HN 0.536 nan 8.360 nan 0.000 0.458 206 D N -0.141 120.287 120.400 0.047 0.000 2.117 206 D HA -0.133 4.507 4.640 -0.000 0.000 0.197 206 D C 1.835 178.142 176.300 0.010 0.000 0.987 206 D CA 0.773 54.797 54.000 0.040 0.000 0.829 206 D CB -0.099 40.769 40.800 0.114 0.000 0.961 206 D HN 0.229 nan 8.370 nan 0.000 0.460 207 I N 0.872 121.466 120.570 0.040 0.000 2.286 207 I HA -0.189 3.981 4.170 -0.000 0.000 0.248 207 I C 2.441 178.564 176.117 0.011 0.000 1.115 207 I CA 0.821 62.147 61.300 0.043 0.000 1.392 207 I CB -0.802 37.253 38.000 0.093 0.000 1.065 207 I HN 0.060 nan 8.210 nan 0.000 0.418 208 R N 1.267 121.775 120.500 0.014 0.000 2.070 208 R HA -0.160 4.180 4.340 -0.000 0.000 0.233 208 R C 2.463 178.744 176.300 -0.031 0.000 1.137 208 R CA 1.455 57.558 56.100 0.006 0.000 0.945 208 R CB -0.087 30.220 30.300 0.011 0.000 0.845 208 R HN 0.250 nan 8.270 nan 0.000 0.430 209 R N 0.281 120.753 120.500 -0.046 0.000 2.081 209 R HA -0.145 4.195 4.340 -0.000 0.000 0.235 209 R C 2.361 178.579 176.300 -0.135 0.000 1.131 209 R CA 1.382 57.439 56.100 -0.072 0.000 0.960 209 R CB -0.498 29.764 30.300 -0.063 0.000 0.856 209 R HN 0.193 nan 8.270 nan 0.000 0.436 210 L N 0.987 122.089 121.223 -0.202 0.000 2.046 210 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 210 L C 2.340 178.907 176.870 -0.505 0.000 1.077 210 L CA 2.375 56.978 54.840 -0.395 0.000 0.747 210 L CB -0.919 40.818 42.059 -0.535 0.000 0.896 210 L HN 0.335 nan 8.230 nan 0.000 0.432 211 T N -2.937 111.408 114.554 -0.348 0.000 2.788 211 T HA -0.127 4.223 4.350 -0.000 0.000 0.268 211 T C 1.912 176.590 174.700 -0.035 0.000 1.044 211 T CA 1.132 63.183 62.100 -0.081 0.000 1.139 211 T CB -0.921 68.040 68.868 0.154 0.000 0.867 211 T HN 0.368 nan 8.240 nan 0.000 0.454 212 A N 1.153 123.938 122.820 -0.058 0.000 1.902 212 A HA 0.084 4.404 4.320 -0.000 0.000 0.217 212 A C 2.657 180.207 177.584 -0.055 0.000 1.181 212 A CA 1.622 53.636 52.037 -0.039 0.000 0.623 212 A CB -1.083 17.894 19.000 -0.038 0.000 0.818 212 A HN 0.425 nan 8.150 nan 0.000 0.443 213 V N 0.248 120.104 119.914 -0.096 0.000 2.358 213 V HA -0.226 3.894 4.120 -0.000 0.000 0.246 213 V C 2.683 178.734 176.094 -0.072 0.000 1.047 213 V CA 2.318 64.561 62.300 -0.094 0.000 1.035 213 V CB -0.837 30.910 31.823 -0.126 0.000 0.658 213 V HN 0.665 nan 8.190 nan 0.000 0.452 214 R N 0.681 121.131 120.500 -0.084 0.000 2.096 214 R HA -0.153 4.187 4.340 -0.000 0.000 0.235 214 R C 2.195 178.516 176.300 0.036 0.000 1.127 214 R CA 1.679 57.780 56.100 0.000 0.000 0.968 214 R CB -0.743 29.608 30.300 0.085 0.000 0.861 214 R HN 0.466 nan 8.270 nan 0.000 0.440 215 E N 0.290 120.508 120.200 0.030 0.000 2.058 215 E HA -0.130 4.220 4.350 -0.000 0.000 0.194 215 E C 1.722 178.325 176.600 0.004 0.000 0.997 215 E CA 1.705 58.123 56.400 0.031 0.000 0.801 215 E CB -0.334 29.382 29.700 0.027 0.000 0.746 215 E HN 0.399 nan 8.360 nan 0.000 0.450 216 A N 0.784 123.593 122.820 -0.018 0.000 1.933 216 A HA -0.105 4.215 4.320 -0.000 0.000 0.218 216 A C 2.459 180.007 177.584 -0.059 0.000 1.175 216 A CA 1.078 53.091 52.037 -0.039 0.000 0.628 216 A CB -0.574 18.395 19.000 -0.052 0.000 0.814 216 A HN 0.283 nan 8.150 nan 0.000 0.444 217 L N -1.474 119.717 121.223 -0.053 0.000 2.240 217 L HA 0.202 4.542 4.340 -0.000 0.000 0.211 217 L C 1.345 178.211 176.870 -0.007 0.000 1.106 217 L CA 0.551 55.348 54.840 -0.073 0.000 0.793 217 L CB -0.720 41.339 42.059 0.001 0.000 0.927 217 L HN 0.662 nan 8.230 nan 0.000 0.446 218 G N -0.092 108.724 108.800 0.026 0.000 2.707 218 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.686 218 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.686 218 G C -0.335 174.614 174.900 0.081 0.000 1.315 218 G CA -0.209 44.920 45.100 0.048 0.000 0.832 218 G HN 0.136 nan 8.290 nan 0.000 0.573 219 D N 0.265 120.709 120.400 0.073 0.000 2.178 219 D HA -0.001 4.639 4.640 -0.000 0.000 0.201 219 D C 2.274 178.626 176.300 0.086 0.000 0.980 219 D CA 1.778 55.824 54.000 0.076 0.000 0.842 219 D CB 0.199 41.032 40.800 0.055 0.000 0.948 219 D HN 0.483 nan 8.370 nan 0.000 0.472 220 E N -0.099 120.164 120.200 0.104 0.000 2.086 220 E HA -0.032 4.318 4.350 -0.000 0.000 0.190 220 E C 0.535 177.212 176.600 0.128 0.000 0.975 220 E CA -0.123 56.341 56.400 0.106 0.000 0.813 220 E CB -0.566 29.198 29.700 0.107 0.000 0.768 220 E HN 0.251 nan 8.360 nan 0.000 0.457 221 F N 3.195 123.157 119.950 0.019 0.000 2.604 221 F HA -0.001 4.526 4.527 -0.000 0.000 0.393 221 F C -1.832 173.959 175.800 -0.015 0.000 1.043 221 F CA -1.795 56.214 58.000 0.015 0.000 1.227 221 F CB 0.254 39.256 39.000 0.002 0.000 1.016 221 F HN -0.190 nan 8.300 nan 0.000 0.556 222 P HA 0.082 nan 4.420 nan 0.000 0.262 222 P C -1.183 175.908 177.300 -0.348 0.000 1.199 222 P CA 0.202 63.086 63.100 -0.360 0.000 0.763 222 P CB 0.585 32.085 31.700 -0.333 0.000 0.790 223 L N 5.516 126.537 121.223 -0.337 0.000 2.408 223 L HA 0.661 5.001 4.340 -0.000 0.000 0.268 223 L C -0.903 175.644 176.870 -0.539 0.000 0.986 223 L CA -0.582 54.056 54.840 -0.337 0.000 0.820 223 L CB 1.546 43.510 42.059 -0.159 0.000 1.303 223 L HN 0.257 nan 8.230 nan 0.000 0.411 224 M N 4.952 124.150 119.600 -0.671 0.000 2.631 224 M HA 0.808 5.288 4.480 -0.000 0.000 0.288 224 M C -0.991 174.998 176.300 -0.519 0.000 1.260 224 M CA -0.890 53.907 55.300 -0.837 0.000 0.842 224 M CB 1.446 32.992 32.600 -1.756 0.000 1.743 224 M HN 0.415 nan 8.290 nan 0.000 0.461 225 V N -1.533 118.169 119.914 -0.352 0.000 3.001 225 V HA 0.869 4.989 4.120 -0.000 0.000 0.314 225 V C -1.576 174.460 176.094 -0.097 0.000 1.099 225 V CA -0.428 61.757 62.300 -0.191 0.000 0.989 225 V CB 2.239 34.004 31.823 -0.096 0.000 1.040 225 V HN 0.958 nan 8.190 nan 0.000 0.434 226 D N 1.646 121.968 120.400 -0.130 0.000 2.686 226 D HA 0.693 5.333 4.640 -0.000 0.000 0.249 226 D C 0.325 176.478 176.300 -0.245 0.000 1.260 226 D CA 0.156 54.087 54.000 -0.115 0.000 0.910 226 D CB 2.111 42.867 40.800 -0.075 0.000 1.323 226 D HN 0.897 nan 8.370 nan 0.000 0.561 227 A N 3.575 126.182 122.820 -0.355 0.000 2.238 227 A HA 0.100 4.420 4.320 -0.000 0.000 0.210 227 A C 0.898 178.255 177.584 -0.377 0.000 1.179 227 A CA -0.035 51.633 52.037 -0.615 0.000 0.827 227 A CB -0.249 18.020 19.000 -1.218 0.000 0.856 227 A HN 0.719 nan 8.150 nan 0.000 0.488 228 N N 0.245 118.822 118.700 -0.205 0.000 2.714 228 N HA -0.251 4.489 4.740 -0.000 0.000 0.252 228 N C -0.267 175.180 175.510 -0.104 0.000 1.014 228 N CA 1.276 54.259 53.050 -0.111 0.000 0.735 228 N CB -1.323 37.126 38.487 -0.063 0.000 0.924 228 N HN 0.795 nan 8.380 nan 0.000 0.540 229 Q N -3.048 116.687 119.800 -0.108 0.000 2.416 229 Q HA -0.271 4.069 4.340 -0.000 0.000 0.235 229 Q C 0.216 176.176 176.000 -0.067 0.000 0.773 229 Q CA 1.173 56.945 55.803 -0.052 0.000 1.286 229 Q CB -0.930 27.807 28.738 -0.001 0.000 1.556 229 Q HN 0.432 nan 8.270 nan 0.000 0.650 230 Q N -0.868 118.826 119.800 -0.176 0.000 2.415 230 Q HA 0.032 4.372 4.340 -0.000 0.000 0.206 230 Q C 0.015 176.007 176.000 -0.012 0.000 0.946 230 Q CA 0.708 56.433 55.803 -0.130 0.000 0.951 230 Q CB 0.267 28.899 28.738 -0.176 0.000 1.026 230 Q HN 0.316 nan 8.270 nan 0.000 0.510 231 W N 1.875 123.170 121.300 -0.009 0.000 2.578 231 W HA 0.247 4.907 4.660 -0.000 0.000 0.353 231 W C 0.174 176.678 176.519 -0.026 0.000 1.088 231 W CA -1.602 55.733 57.345 -0.017 0.000 1.235 231 W CB 0.747 30.192 29.460 -0.025 0.000 1.362 231 W HN -0.010 nan 8.180 nan 0.000 0.592 232 D N -0.375 120.152 120.400 0.212 0.000 2.432 232 D HA 0.303 4.943 4.640 -0.000 0.000 0.258 232 D C 1.098 177.432 176.300 0.057 0.000 1.146 232 D CA -0.539 53.519 54.000 0.097 0.000 1.015 232 D CB 0.937 41.772 40.800 0.058 0.000 1.107 232 D HN 0.222 nan 8.370 nan 0.000 0.529 233 R N -0.300 120.209 120.500 0.016 0.000 2.103 233 R HA -0.177 4.163 4.340 -0.000 0.000 0.242 233 R C 1.669 177.943 176.300 -0.044 0.000 1.142 233 R CA 1.606 57.696 56.100 -0.016 0.000 0.960 233 R CB -0.321 29.968 30.300 -0.019 0.000 0.858 233 R HN 0.504 nan 8.270 nan 0.000 0.439 234 E N -0.153 120.022 120.200 -0.042 0.000 2.038 234 E HA -0.148 4.202 4.350 -0.000 0.000 0.195 234 E C 2.080 178.607 176.600 -0.122 0.000 1.000 234 E CA 1.993 58.354 56.400 -0.065 0.000 0.803 234 E CB -0.454 29.218 29.700 -0.047 0.000 0.750 234 E HN 0.269 nan 8.360 nan 0.000 0.448 235 T N 0.509 114.976 114.554 -0.145 0.000 2.821 235 T HA -0.092 4.258 4.350 -0.000 0.000 0.267 235 T C 1.916 176.296 174.700 -0.534 0.000 1.046 235 T CA 1.170 63.084 62.100 -0.309 0.000 1.139 235 T CB -0.398 68.300 68.868 -0.284 0.000 0.871 235 T HN 0.284 nan 8.240 nan 0.000 0.454 236 A N 1.554 124.167 122.820 -0.344 0.000 1.865 236 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 236 A C 2.267 179.683 177.584 -0.280 0.000 1.191 236 A CA 1.568 53.424 52.037 -0.302 0.000 0.623 236 A CB -0.862 18.148 19.000 0.016 0.000 0.826 236 A HN 0.423 nan 8.150 nan 0.000 0.444 237 I N -0.612 119.854 120.570 -0.173 0.000 2.315 237 I HA -0.162 4.008 4.170 -0.000 0.000 0.248 237 I C 2.377 178.398 176.117 -0.160 0.000 1.117 237 I CA 1.476 62.699 61.300 -0.127 0.000 1.404 237 I CB -0.421 37.529 38.000 -0.082 0.000 1.071 237 I HN 0.330 nan 8.210 nan 0.000 0.419 238 R N -0.341 120.036 120.500 -0.205 0.000 2.070 238 R HA -0.162 4.178 4.340 -0.000 0.000 0.233 238 R C 2.203 178.365 176.300 -0.229 0.000 1.137 238 R CA 1.782 57.766 56.100 -0.192 0.000 0.945 238 R CB -0.224 29.957 30.300 -0.198 0.000 0.845 238 R HN 0.268 nan 8.270 nan 0.000 0.430 239 M N -0.431 118.930 119.600 -0.398 0.000 2.159 239 M HA -0.073 4.407 4.480 -0.000 0.000 0.263 239 M C 2.314 178.487 176.300 -0.211 0.000 1.063 239 M CA 1.579 56.636 55.300 -0.405 0.000 1.110 239 M CB -1.325 30.707 32.600 -0.946 0.000 1.374 239 M HN 0.330 nan 8.290 nan 0.000 0.411 240 G N 0.583 109.262 108.800 -0.201 0.000 2.459 240 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.217 240 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.217 240 G C 1.701 176.581 174.900 -0.034 0.000 1.183 240 G CA 0.542 45.607 45.100 -0.058 0.000 0.776 240 G HN 0.296 nan 8.290 nan 0.000 0.552 241 R N 0.564 121.027 120.500 -0.061 0.000 2.096 241 R HA -0.087 4.253 4.340 -0.000 0.000 0.240 241 R C 2.423 178.693 176.300 -0.049 0.000 1.139 241 R CA 1.550 57.620 56.100 -0.050 0.000 0.952 241 R CB -0.838 29.426 30.300 -0.061 0.000 0.854 241 R HN 0.437 nan 8.270 nan 0.000 0.436 242 K N 0.218 120.589 120.400 -0.049 0.000 2.283 242 K HA 0.003 4.323 4.320 -0.000 0.000 0.202 242 K C 1.809 178.413 176.600 0.008 0.000 1.048 242 K CA 0.956 57.224 56.287 -0.032 0.000 0.948 242 K CB 0.123 32.615 32.500 -0.013 0.000 0.742 242 K HN 0.113 nan 8.250 nan 0.000 0.458 243 M N 0.159 119.806 119.600 0.077 0.000 2.441 243 M HA 0.023 4.503 4.480 -0.000 0.000 0.244 243 M C 1.016 177.377 176.300 0.101 0.000 1.122 243 M CA 0.210 55.658 55.300 0.246 0.000 1.041 243 M CB 0.470 33.244 32.600 0.290 0.000 1.438 243 M HN 0.024 nan 8.290 nan 0.000 0.484 244 E N 1.623 121.818 120.200 -0.009 0.000 2.130 244 E HA -0.255 4.095 4.350 -0.000 0.000 0.196 244 E C 1.898 178.443 176.600 -0.092 0.000 0.998 244 E CA 1.599 57.983 56.400 -0.027 0.000 0.806 244 E CB -0.376 29.300 29.700 -0.039 0.000 0.738 244 E HN 0.730 nan 8.360 nan 0.000 0.459 245 Q N -0.354 119.299 119.800 -0.246 0.000 2.291 245 Q HA -0.124 4.216 4.340 -0.000 0.000 0.206 245 Q C 1.499 177.274 176.000 -0.375 0.000 0.976 245 Q CA 1.194 56.778 55.803 -0.365 0.000 0.875 245 Q CB -0.411 27.998 28.738 -0.548 0.000 0.927 245 Q HN 0.212 nan 8.270 nan 0.000 0.450 246 F N 1.264 121.204 119.950 -0.017 0.000 2.797 246 F HA 0.197 4.724 4.527 -0.000 0.000 0.302 246 F C -0.117 175.664 175.800 -0.031 0.000 1.130 246 F CA -0.075 57.911 58.000 -0.024 0.000 1.387 246 F CB -0.500 38.481 39.000 -0.031 0.000 1.107 246 F HN 0.083 nan 8.300 nan 0.000 0.577 247 N N 0.951 119.705 118.700 0.091 0.000 2.705 247 N HA -0.214 4.526 4.740 -0.000 0.000 0.255 247 N C -0.719 174.809 175.510 0.029 0.000 1.008 247 N CA -0.048 53.032 53.050 0.050 0.000 0.742 247 N CB -1.484 37.025 38.487 0.036 0.000 0.906 247 N HN 0.237 nan 8.380 nan 0.000 0.541 248 L N 0.275 121.513 121.223 0.025 0.000 2.467 248 L HA 0.089 4.429 4.340 -0.000 0.000 0.270 248 L C 1.885 178.674 176.870 -0.135 0.000 1.205 248 L CA -0.627 54.160 54.840 -0.089 0.000 0.828 248 L CB 0.289 42.299 42.059 -0.082 0.000 1.101 248 L HN 0.206 nan 8.230 nan 0.000 0.479 249 I N 0.481 120.847 120.570 -0.340 0.000 2.394 249 I HA -0.097 4.073 4.170 -0.000 0.000 0.251 249 I C 0.257 176.268 176.117 -0.177 0.000 1.136 249 I CA 1.208 62.305 61.300 -0.338 0.000 1.425 249 I CB -0.833 36.686 38.000 -0.801 0.000 1.079 249 I HN 0.812 nan 8.210 nan 0.000 0.425 250 W N -0.356 120.741 121.300 -0.338 0.000 3.064 250 W HA 0.554 5.214 4.660 -0.000 0.000 0.328 250 W C -2.110 174.287 176.519 -0.203 0.000 1.210 250 W CA -1.660 55.517 57.345 -0.279 0.000 1.178 250 W CB -0.221 28.916 29.460 -0.538 0.000 1.416 250 W HN -0.263 nan 8.180 nan 0.000 0.568 251 I N 2.453 123.214 120.570 0.319 0.000 2.382 251 I HA 0.276 4.446 4.170 -0.000 0.000 0.286 251 I C -0.188 176.086 176.117 0.261 0.000 1.002 251 I CA -0.821 60.627 61.300 0.247 0.000 1.135 251 I CB 1.703 39.833 38.000 0.218 0.000 1.288 251 I HN 0.556 nan 8.210 nan 0.000 0.448 252 E N 6.281 126.623 120.200 0.237 0.000 2.204 252 E HA 0.210 4.560 4.350 -0.000 0.000 0.276 252 E C -0.438 176.181 176.600 0.030 0.000 0.974 252 E CA -0.412 56.038 56.400 0.084 0.000 0.815 252 E CB 0.883 30.656 29.700 0.122 0.000 1.119 252 E HN 0.503 nan 8.360 nan 0.000 0.393 253 E N 2.707 122.933 120.200 0.044 0.000 2.149 253 E HA -0.183 4.167 4.350 -0.000 0.000 0.191 253 E C -1.817 174.802 176.600 0.032 0.000 1.384 253 E CA 0.108 56.558 56.400 0.083 0.000 0.698 253 E CB -0.448 29.242 29.700 -0.018 0.000 1.086 253 E HN 0.528 nan 8.360 nan 0.000 0.338 254 P HA -0.111 nan 4.420 nan 0.000 0.221 254 P C 0.620 177.958 177.300 0.063 0.000 1.150 254 P CA 1.260 64.430 63.100 0.118 0.000 0.800 254 P CB 0.379 32.225 31.700 0.243 0.000 0.787 255 L N -1.573 119.595 121.223 -0.092 0.000 2.230 255 L HA 0.442 4.782 4.340 -0.000 0.000 0.255 255 L C 0.147 177.055 176.870 0.064 0.000 1.039 255 L CA -1.370 53.424 54.840 -0.076 0.000 0.846 255 L CB 0.510 42.410 42.059 -0.265 0.000 1.419 255 L HN -0.309 nan 8.230 nan 0.000 0.435 256 D N 0.251 120.695 120.400 0.073 0.000 2.571 256 D HA 0.063 4.703 4.640 -0.000 0.000 0.231 256 D C 0.981 177.378 176.300 0.162 0.000 1.133 256 D CA 0.770 54.837 54.000 0.112 0.000 0.862 256 D CB 1.371 42.239 40.800 0.114 0.000 1.179 256 D HN 0.619 nan 8.370 nan 0.000 0.474 257 A N 3.512 126.366 122.820 0.056 0.000 2.084 257 A HA -0.205 4.115 4.320 -0.000 0.000 0.221 257 A C 1.270 178.615 177.584 -0.398 0.000 1.161 257 A CA 1.265 53.188 52.037 -0.191 0.000 0.653 257 A CB -0.604 18.198 19.000 -0.330 0.000 0.802 257 A HN 0.770 nan 8.150 nan 0.000 0.457 258 Y N -1.147 119.147 120.300 -0.009 0.000 2.458 258 Y HA 0.168 4.718 4.550 -0.000 0.000 0.256 258 Y C 0.526 176.437 175.900 0.019 0.000 1.159 258 Y CA -0.534 57.550 58.100 -0.028 0.000 1.261 258 Y CB 0.424 38.862 38.460 -0.037 0.000 1.119 258 Y HN 0.201 nan 8.280 nan 0.000 0.524 259 D N 1.256 121.763 120.400 0.180 0.000 2.551 259 D HA 0.099 4.739 4.640 -0.000 0.000 0.223 259 D C 1.153 177.571 176.300 0.197 0.000 1.144 259 D CA 0.273 54.368 54.000 0.158 0.000 1.025 259 D CB -0.292 40.572 40.800 0.107 0.000 1.085 259 D HN 0.317 nan 8.370 nan 0.000 0.506 260 I N 1.276 121.909 120.570 0.104 0.000 2.127 260 I HA -0.268 3.902 4.170 -0.000 0.000 0.241 260 I C 2.062 178.224 176.117 0.075 0.000 1.075 260 I CA 1.045 62.380 61.300 0.059 0.000 1.334 260 I CB -0.070 37.932 38.000 0.004 0.000 1.040 260 I HN 0.326 nan 8.210 nan 0.000 0.405 261 E N 0.876 121.108 120.200 0.052 0.000 2.150 261 E HA -0.137 4.213 4.350 -0.000 0.000 0.193 261 E C 2.305 178.928 176.600 0.037 0.000 0.985 261 E CA 1.078 57.501 56.400 0.037 0.000 0.814 261 E CB -0.308 29.406 29.700 0.023 0.000 0.752 261 E HN 0.627 nan 8.360 nan 0.000 0.466 262 G N 1.175 109.996 108.800 0.035 0.000 2.421 262 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.216 262 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.216 262 G C 1.349 176.225 174.900 -0.039 0.000 1.171 262 G CA 0.708 45.798 45.100 -0.016 0.000 0.775 262 G HN 0.272 nan 8.290 nan 0.000 0.543 263 H N 0.760 119.830 119.070 -0.000 0.000 2.293 263 H HA -0.022 4.534 4.556 -0.000 0.000 0.300 263 H C 3.051 178.378 175.328 -0.002 0.000 1.082 263 H CA 1.323 57.369 56.048 -0.003 0.000 1.308 263 H CB -0.385 29.357 29.762 -0.033 0.000 1.375 263 H HN 0.369 nan 8.280 nan 0.000 0.495 264 A N 1.148 124.040 122.820 0.120 0.000 1.892 264 A HA -0.289 4.031 4.320 -0.000 0.000 0.218 264 A C 2.409 180.018 177.584 0.043 0.000 1.188 264 A CA 2.199 54.273 52.037 0.061 0.000 0.631 264 A CB -0.840 18.182 19.000 0.037 0.000 0.822 264 A HN 0.546 nan 8.150 nan 0.000 0.447 265 Q N -0.496 119.323 119.800 0.030 0.000 2.084 265 Q HA -0.144 4.196 4.340 -0.000 0.000 0.202 265 Q C 2.009 178.017 176.000 0.013 0.000 0.978 265 Q CA 1.667 57.478 55.803 0.014 0.000 0.844 265 Q CB -0.248 28.491 28.738 0.003 0.000 0.898 265 Q HN 0.680 nan 8.270 nan 0.000 0.426 266 L N 0.181 121.411 121.223 0.013 0.000 2.056 266 L HA -0.135 4.205 4.340 -0.000 0.000 0.207 266 L C 2.626 179.520 176.870 0.041 0.000 1.078 266 L CA 0.926 55.776 54.840 0.017 0.000 0.749 266 L CB -0.599 41.467 42.059 0.010 0.000 0.901 266 L HN 0.333 nan 8.230 nan 0.000 0.433 267 A N 0.026 122.881 122.820 0.058 0.000 1.902 267 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 267 A C 2.471 180.082 177.584 0.046 0.000 1.181 267 A CA 1.847 53.923 52.037 0.064 0.000 0.623 267 A CB -0.678 18.362 19.000 0.067 0.000 0.818 267 A HN 0.411 nan 8.150 nan 0.000 0.443 268 A N -0.672 122.168 122.820 0.034 0.000 2.014 268 A HA 0.322 4.641 4.320 -0.000 0.000 0.218 268 A C 2.353 179.948 177.584 0.019 0.000 1.163 268 A CA 1.654 53.705 52.037 0.024 0.000 0.652 268 A CB -0.652 18.359 19.000 0.018 0.000 0.808 268 A HN 0.964 nan 8.150 nan 0.000 0.449 269 A N -0.856 121.974 122.820 0.017 0.000 2.021 269 A HA 0.425 4.745 4.320 -0.000 0.000 0.216 269 A C 0.908 178.499 177.584 0.011 0.000 1.163 269 A CA 0.339 52.381 52.037 0.009 0.000 0.676 269 A CB -0.183 18.817 19.000 -0.000 0.000 0.818 269 A HN 0.406 nan 8.150 nan 0.000 0.453 270 L N -0.769 120.468 121.223 0.023 0.000 2.334 270 L HA 0.370 4.710 4.340 -0.000 0.000 0.272 270 L C 0.241 177.135 176.870 0.041 0.000 1.020 270 L CA -0.856 54.001 54.840 0.029 0.000 0.812 270 L CB 1.300 43.383 42.059 0.039 0.000 1.264 270 L HN 0.027 nan 8.230 nan 0.000 0.439 271 D N -0.150 120.273 120.400 0.038 0.000 2.162 271 D HA -0.034 4.606 4.640 -0.000 0.000 0.203 271 D C 0.487 176.830 176.300 0.071 0.000 0.967 271 D CA 0.836 54.864 54.000 0.046 0.000 0.840 271 D CB 0.191 41.011 40.800 0.034 0.000 0.972 271 D HN 0.493 nan 8.370 nan 0.000 0.482 272 T N 3.147 117.745 114.554 0.074 0.000 2.908 272 T HA 0.107 4.457 4.350 -0.000 0.000 0.301 272 T C -2.335 172.450 174.700 0.143 0.000 1.019 272 T CA -0.808 61.353 62.100 0.102 0.000 1.152 272 T CB 1.071 69.995 68.868 0.093 0.000 0.966 272 T HN -0.052 nan 8.240 nan 0.000 0.540 273 P HA 0.211 nan 4.420 nan 0.000 0.269 273 P C -0.511 176.946 177.300 0.262 0.000 1.215 273 P CA -0.385 62.888 63.100 0.287 0.000 0.780 273 P CB 0.442 32.460 31.700 0.531 0.000 0.898 274 I N 1.415 122.119 120.570 0.225 0.000 2.441 274 I HA 0.603 4.772 4.170 -0.000 0.000 0.295 274 I C 0.159 176.334 176.117 0.097 0.000 0.994 274 I CA -0.943 60.456 61.300 0.165 0.000 1.144 274 I CB 1.125 39.217 38.000 0.153 0.000 1.314 274 I HN 0.327 nan 8.210 nan 0.000 0.445 275 A N 4.121 126.910 122.820 -0.053 0.000 2.386 275 A HA 0.892 5.212 4.320 -0.000 0.000 0.311 275 A C -0.372 177.079 177.584 -0.222 0.000 1.068 275 A CA -0.498 51.374 52.037 -0.275 0.000 0.743 275 A CB 2.135 20.565 19.000 -0.949 0.000 1.258 275 A HN 0.714 nan 8.150 nan 0.000 0.429 276 T N -0.738 113.662 114.554 -0.256 0.000 2.700 276 T HA 0.587 4.937 4.350 -0.000 0.000 0.307 276 T C 0.427 174.959 174.700 -0.281 0.000 1.580 276 T CA 0.736 62.665 62.100 -0.285 0.000 0.992 276 T CB 0.880 69.458 68.868 -0.483 0.000 1.577 276 T HN 2.480 nan 8.240 nan 0.000 0.496 277 G N 1.263 109.877 108.800 -0.310 0.000 2.336 277 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.194 277 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.194 277 G C 0.813 175.606 174.900 -0.178 0.000 0.999 277 G CA 1.239 46.157 45.100 -0.303 0.000 0.669 277 G HN 1.038 nan 8.290 nan 0.000 0.482 278 E N 0.333 120.434 120.200 -0.165 0.000 2.171 278 E HA -0.144 4.206 4.350 -0.000 0.000 0.197 278 E C 2.153 178.639 176.600 -0.191 0.000 0.997 278 E CA 1.750 58.029 56.400 -0.202 0.000 0.810 278 E CB -0.253 29.129 29.700 -0.531 0.000 0.738 278 E HN 0.437 nan 8.360 nan 0.000 0.467 279 M N 0.854 120.326 119.600 -0.213 0.000 2.562 279 M HA 0.176 4.655 4.480 -0.000 0.000 0.257 279 M C 0.809 177.031 176.300 -0.129 0.000 1.099 279 M CA 0.419 55.630 55.300 -0.148 0.000 1.099 279 M CB -0.572 31.948 32.600 -0.133 0.000 1.427 279 M HN 0.117 nan 8.290 nan 0.000 0.489 280 L N 1.260 122.342 121.223 -0.235 0.000 2.461 280 L HA 0.047 4.387 4.340 -0.000 0.000 0.272 280 L C 1.135 178.001 176.870 -0.007 0.000 1.197 280 L CA 0.111 54.805 54.840 -0.242 0.000 0.836 280 L CB 0.103 41.761 42.059 -0.669 0.000 1.105 280 L HN 0.267 nan 8.230 nan 0.000 0.477 281 T N -2.123 112.457 114.554 0.043 0.000 3.355 281 T HA 0.409 4.758 4.350 -0.000 0.000 0.276 281 T C -0.068 174.700 174.700 0.113 0.000 1.003 281 T CA -0.079 62.074 62.100 0.089 0.000 0.943 281 T CB -0.094 68.814 68.868 0.068 0.000 1.158 281 T HN 0.742 nan 8.240 nan 0.000 0.513 282 S N -0.469 115.319 115.700 0.146 0.000 2.686 282 S HA 0.376 4.846 4.470 -0.000 0.000 0.273 282 S C -0.019 174.697 174.600 0.194 0.000 1.060 282 S CA -0.844 57.453 58.200 0.161 0.000 0.845 282 S CB -0.017 63.255 63.200 0.121 0.000 1.086 282 S HN 0.105 nan 8.310 nan 0.000 0.461 283 F N 2.298 122.276 119.950 0.047 0.000 2.102 283 F HA 0.070 4.597 4.527 -0.000 0.000 0.298 283 F C 2.507 178.324 175.800 0.027 0.000 1.105 283 F CA 1.749 59.758 58.000 0.015 0.000 1.239 283 F CB -0.222 38.759 39.000 -0.031 0.000 0.991 283 F HN 0.611 nan 8.300 nan 0.000 0.474 284 R N 0.933 121.475 120.500 0.070 0.000 2.112 284 R HA -0.230 4.110 4.340 -0.000 0.000 0.242 284 R C 2.073 178.287 176.300 -0.144 0.000 1.137 284 R CA 2.235 58.311 56.100 -0.040 0.000 0.944 284 R CB -1.251 29.088 30.300 0.066 0.000 0.857 284 R HN 0.504 nan 8.270 nan 0.000 0.435 285 E N -0.577 119.575 120.200 -0.080 0.000 2.085 285 E HA -0.196 4.154 4.350 -0.000 0.000 0.194 285 E C 2.020 178.456 176.600 -0.274 0.000 0.994 285 E CA 1.323 57.649 56.400 -0.123 0.000 0.801 285 E CB -0.248 29.404 29.700 -0.080 0.000 0.743 285 E HN 0.532 nan 8.360 nan 0.000 0.453 286 H N 0.169 119.059 119.070 -0.298 0.000 2.423 286 H HA -0.072 4.483 4.556 -0.000 0.000 0.297 286 H C 2.060 177.125 175.328 -0.438 0.000 1.075 286 H CA 1.506 57.336 56.048 -0.363 0.000 1.342 286 H CB 0.134 29.674 29.762 -0.371 0.000 1.395 286 H HN 0.188 nan 8.280 nan 0.000 0.530 287 E N 0.235 120.152 120.200 -0.473 0.000 2.077 287 E HA -0.224 4.126 4.350 -0.000 0.000 0.193 287 E C 1.765 178.189 176.600 -0.294 0.000 0.989 287 E CA 0.901 57.001 56.400 -0.500 0.000 0.800 287 E CB 0.209 29.520 29.700 -0.649 0.000 0.746 287 E HN 0.398 nan 8.360 nan 0.000 0.452 288 Q N 0.133 119.797 119.800 -0.227 0.000 2.084 288 Q HA -0.154 4.186 4.340 -0.000 0.000 0.202 288 Q C 2.342 178.244 176.000 -0.164 0.000 0.978 288 Q CA 0.968 56.681 55.803 -0.150 0.000 0.844 288 Q CB -0.247 28.432 28.738 -0.098 0.000 0.898 288 Q HN 0.313 nan 8.270 nan 0.000 0.426 289 L N -0.038 121.054 121.223 -0.219 0.000 2.109 289 L HA -0.099 4.241 4.340 -0.000 0.000 0.207 289 L C 2.259 179.004 176.870 -0.209 0.000 1.086 289 L CA 1.055 55.761 54.840 -0.224 0.000 0.760 289 L CB -0.379 41.492 42.059 -0.314 0.000 0.910 289 L HN 0.147 nan 8.230 nan 0.000 0.437 290 I N -1.201 119.215 120.570 -0.256 0.000 2.252 290 I HA -0.289 3.881 4.170 -0.000 0.000 0.245 290 I C 2.196 178.121 176.117 -0.320 0.000 1.102 290 I CA 1.120 62.229 61.300 -0.318 0.000 1.385 290 I CB -0.235 37.502 38.000 -0.438 0.000 1.064 290 I HN 0.184 nan 8.210 nan 0.000 0.414 291 L N 0.367 121.436 121.223 -0.256 0.000 2.191 291 L HA -0.110 4.230 4.340 -0.000 0.000 0.212 291 L C 2.264 179.103 176.870 -0.052 0.000 1.103 291 L CA 1.246 56.016 54.840 -0.117 0.000 0.769 291 L CB -0.805 41.212 42.059 -0.070 0.000 0.908 291 L HN 0.322 nan 8.230 nan 0.000 0.438 292 G N -1.054 107.701 108.800 -0.075 0.000 3.088 292 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.212 292 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.212 292 G C 0.437 175.320 174.900 -0.028 0.000 1.173 292 G CA -0.157 44.919 45.100 -0.040 0.000 0.779 292 G HN 0.571 nan 8.290 nan 0.000 0.540 293 N N -1.028 117.648 118.700 -0.039 0.000 2.727 293 N HA -0.261 4.479 4.740 -0.000 0.000 0.249 293 N C 1.486 176.986 175.510 -0.017 0.000 1.048 293 N CA 0.146 53.185 53.050 -0.017 0.000 0.714 293 N CB -0.686 37.810 38.487 0.015 0.000 0.959 293 N HN 0.414 nan 8.380 nan 0.000 0.544 294 A N -0.332 122.458 122.820 -0.051 0.000 1.969 294 A HA 0.077 4.397 4.320 -0.000 0.000 0.218 294 A C 1.156 178.733 177.584 -0.012 0.000 1.169 294 A CA 1.755 53.773 52.037 -0.032 0.000 0.635 294 A CB 0.116 19.032 19.000 -0.139 0.000 0.810 294 A HN 0.653 nan 8.150 nan 0.000 0.445 295 S N -2.602 113.068 115.700 -0.050 0.000 2.596 295 S HA 0.421 4.891 4.470 -0.000 0.000 0.270 295 S C -0.483 174.106 174.600 -0.018 0.000 1.155 295 S CA -0.336 57.853 58.200 -0.018 0.000 0.827 295 S CB 1.059 64.220 63.200 -0.066 0.000 1.130 295 S HN 0.160 nan 8.310 nan 0.000 0.467 296 D N -0.074 120.344 120.400 0.030 0.000 2.194 296 D HA 0.144 4.784 4.640 -0.000 0.000 0.204 296 D C -0.442 175.760 176.300 -0.164 0.000 0.964 296 D CA 1.282 55.268 54.000 -0.023 0.000 0.846 296 D CB 0.020 40.865 40.800 0.075 0.000 0.962 296 D HN 0.421 nan 8.370 nan 0.000 0.490 297 F N 0.850 120.716 119.950 -0.141 0.000 2.444 297 F HA 0.282 4.809 4.527 -0.000 0.000 0.342 297 F C 0.093 175.728 175.800 -0.274 0.000 1.121 297 F CA -0.877 56.982 58.000 -0.235 0.000 0.997 297 F CB 1.972 40.701 39.000 -0.452 0.000 1.130 297 F HN -0.408 nan 8.300 nan 0.000 0.454 298 V N 3.781 123.631 119.914 -0.108 0.000 2.394 298 V HA 0.319 4.439 4.120 -0.000 0.000 0.282 298 V C -0.444 175.544 176.094 -0.176 0.000 1.031 298 V CA -0.664 61.545 62.300 -0.152 0.000 0.881 298 V CB 1.460 33.172 31.823 -0.184 0.000 0.982 298 V HN 0.677 nan 8.190 nan 0.000 0.451 299 Q N 5.922 125.638 119.800 -0.140 0.000 2.788 299 Q HA 0.331 4.671 4.340 -0.000 0.000 0.261 299 Q C -2.628 173.357 176.000 -0.026 0.000 1.029 299 Q CA -1.677 54.061 55.803 -0.109 0.000 0.848 299 Q CB 1.641 30.305 28.738 -0.122 0.000 1.185 299 Q HN 0.521 nan 8.270 nan 0.000 0.482 300 P HA 0.110 nan 4.420 nan 0.000 0.276 300 P C -0.790 176.580 177.300 0.117 0.000 1.261 300 P CA -0.342 62.596 63.100 -0.269 0.000 0.800 300 P CB 0.875 31.972 31.700 -1.006 0.000 1.066 301 D N -0.070 120.515 120.400 0.308 0.000 2.476 301 D HA 0.305 4.945 4.640 -0.000 0.000 0.251 301 D C 0.774 177.425 176.300 0.584 0.000 1.291 301 D CA -0.596 53.724 54.000 0.533 0.000 0.939 301 D CB 1.613 42.730 40.800 0.527 0.000 1.221 301 D HN 0.238 nan 8.370 nan 0.000 0.567 302 A N 5.339 128.607 122.820 0.748 0.000 1.873 302 A HA -0.095 4.225 4.320 -0.000 0.000 0.218 302 A C -0.752 176.969 177.584 0.228 0.000 1.193 302 A CA 1.468 53.745 52.037 0.400 0.000 0.629 302 A CB -1.205 17.774 19.000 -0.035 0.000 0.826 302 A HN 0.486 nan 8.150 nan 0.000 0.447 303 P HA -0.149 nan 4.420 nan 0.000 0.215 303 P C 1.589 178.950 177.300 0.102 0.000 1.157 303 P CA 1.237 64.403 63.100 0.111 0.000 0.868 303 P CB -0.132 31.686 31.700 0.196 0.000 0.788 304 R N -0.327 120.264 120.500 0.151 0.000 2.115 304 R HA -0.053 4.287 4.340 -0.000 0.000 0.230 304 R C 1.867 178.246 176.300 0.132 0.000 1.111 304 R CA 1.699 57.857 56.100 0.096 0.000 0.976 304 R CB -1.141 29.239 30.300 0.133 0.000 0.870 304 R HN 0.239 nan 8.270 nan 0.000 0.445 305 V N -3.352 116.678 119.914 0.193 0.000 3.649 305 V HA 0.381 4.501 4.120 -0.000 0.000 0.275 305 V C 1.016 177.229 176.094 0.199 0.000 1.281 305 V CA 0.823 63.238 62.300 0.192 0.000 1.143 305 V CB 0.292 32.231 31.823 0.193 0.000 0.892 305 V HN 0.422 nan 8.190 nan 0.000 0.441 306 G N -1.718 107.204 108.800 0.204 0.000 2.159 306 G HA2 0.357 4.317 3.960 -0.000 0.000 0.170 306 G HA3 0.357 4.317 3.960 -0.000 0.000 0.170 306 G C 0.889 175.987 174.900 0.329 0.000 1.007 306 G CA -0.064 45.202 45.100 0.276 0.000 0.672 306 G HN 2.235 nan 8.290 nan 0.000 0.507 307 G N -1.163 107.778 108.800 0.234 0.000 2.422 307 G HA2 0.104 4.064 3.960 -0.000 0.000 0.607 307 G HA3 0.104 4.064 3.960 -0.000 0.000 0.607 307 G C 0.762 175.755 174.900 0.155 0.000 1.270 307 G CA -0.071 45.147 45.100 0.197 0.000 0.992 307 G HN 0.876 nan 8.290 nan 0.000 0.499 308 I N 0.735 121.334 120.570 0.048 0.000 2.252 308 I HA -0.152 4.018 4.170 -0.000 0.000 0.245 308 I C 2.963 179.032 176.117 -0.080 0.000 1.102 308 I CA 2.031 63.230 61.300 -0.168 0.000 1.385 308 I CB -0.439 37.211 38.000 -0.584 0.000 1.064 308 I HN 0.529 nan 8.210 nan 0.000 0.414 309 S N 1.276 117.055 115.700 0.131 0.000 2.359 309 S HA -0.126 4.343 4.470 -0.000 0.000 0.222 309 S C -0.302 174.313 174.600 0.025 0.000 1.038 309 S CA 1.894 60.193 58.200 0.166 0.000 1.051 309 S CB -1.530 61.796 63.200 0.210 0.000 0.944 309 S HN 0.388 nan 8.310 nan 0.000 0.433 310 P HA -0.065 nan 4.420 nan 0.000 0.219 310 P C 1.345 178.706 177.300 0.101 0.000 1.150 310 P CA 0.908 64.011 63.100 0.004 0.000 0.814 310 P CB -0.163 31.558 31.700 0.036 0.000 0.787 311 F N 0.919 120.857 119.950 -0.021 0.000 2.161 311 F HA -0.174 4.353 4.527 -0.000 0.000 0.300 311 F C 2.262 178.035 175.800 -0.046 0.000 1.089 311 F CA 1.260 59.235 58.000 -0.041 0.000 1.282 311 F CB -0.640 38.337 39.000 -0.038 0.000 1.010 311 F HN -0.286 nan 8.300 nan 0.000 0.485 312 L N -0.024 121.321 121.223 0.202 0.000 2.046 312 L HA -0.250 4.090 4.340 -0.000 0.000 0.208 312 L C 2.377 179.283 176.870 0.059 0.000 1.077 312 L CA 1.563 56.469 54.840 0.110 0.000 0.747 312 L CB -0.671 41.387 42.059 -0.002 0.000 0.896 312 L HN 0.068 nan 8.230 nan 0.000 0.432 313 K N 0.194 120.608 120.400 0.023 0.000 2.097 313 K HA -0.126 4.194 4.320 -0.000 0.000 0.206 313 K C 2.045 178.760 176.600 0.192 0.000 1.049 313 K CA 1.240 57.531 56.287 0.007 0.000 0.933 313 K CB -0.139 32.199 32.500 -0.270 0.000 0.717 313 K HN 0.251 nan 8.250 nan 0.000 0.442 314 I N 0.745 121.400 120.570 0.143 0.000 2.226 314 I HA -0.296 3.874 4.170 -0.000 0.000 0.245 314 I C 2.426 178.478 176.117 -0.108 0.000 1.100 314 I CA 1.226 62.505 61.300 -0.034 0.000 1.374 314 I CB -0.216 37.535 38.000 -0.415 0.000 1.057 314 I HN 0.194 nan 8.210 nan 0.000 0.413 315 M N 0.374 119.905 119.600 -0.115 0.000 2.080 315 M HA -0.257 4.223 4.480 -0.000 0.000 0.260 315 M C 1.839 178.257 176.300 0.198 0.000 1.068 315 M CA 1.886 57.230 55.300 0.073 0.000 1.109 315 M CB -0.496 32.229 32.600 0.209 0.000 1.342 315 M HN 0.189 nan 8.290 nan 0.000 0.405 316 D N 0.325 120.799 120.400 0.123 0.000 2.117 316 D HA -0.141 4.498 4.640 -0.000 0.000 0.197 316 D C 1.788 178.157 176.300 0.115 0.000 0.987 316 D CA 1.046 55.103 54.000 0.096 0.000 0.829 316 D CB -0.415 40.428 40.800 0.072 0.000 0.961 316 D HN 0.193 nan 8.370 nan 0.000 0.460 317 L N 1.014 122.322 121.223 0.141 0.000 1.994 317 L HA -0.089 4.251 4.340 -0.000 0.000 0.208 317 L C 2.155 179.105 176.870 0.132 0.000 1.071 317 L CA 1.896 56.825 54.840 0.149 0.000 0.745 317 L CB -0.968 41.150 42.059 0.098 0.000 0.892 317 L HN -0.004 nan 8.230 nan 0.000 0.431 318 A N -0.381 122.476 122.820 0.062 0.000 1.873 318 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 318 A C 2.469 180.153 177.584 0.166 0.000 1.193 318 A CA 2.408 54.485 52.037 0.068 0.000 0.629 318 A CB -1.386 17.626 19.000 0.021 0.000 0.826 318 A HN 0.614 nan 8.150 nan 0.000 0.447 319 A N -0.475 122.457 122.820 0.187 0.000 1.883 319 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 319 A C 2.149 179.742 177.584 0.015 0.000 1.186 319 A CA 2.167 54.219 52.037 0.025 0.000 0.624 319 A CB -0.527 18.364 19.000 -0.183 0.000 0.822 319 A HN 0.573 nan 8.150 nan 0.000 0.444 320 K N -1.260 119.177 120.400 0.062 0.000 2.152 320 K HA -0.209 4.111 4.320 -0.000 0.000 0.206 320 K C 1.013 177.598 176.600 -0.025 0.000 1.048 320 K CA 1.670 57.972 56.287 0.025 0.000 0.933 320 K CB -0.199 32.343 32.500 0.069 0.000 0.721 320 K HN 0.649 nan 8.250 nan 0.000 0.447 321 H N -1.152 117.907 119.070 -0.018 0.000 2.538 321 H HA 0.207 4.763 4.556 -0.000 0.000 0.286 321 H C 0.641 175.949 175.328 -0.032 0.000 1.035 321 H CA 0.541 56.574 56.048 -0.025 0.000 1.169 321 H CB 0.547 30.291 29.762 -0.029 0.000 1.417 321 H HN 0.465 nan 8.280 nan 0.000 0.567 322 G N 1.259 110.085 108.800 0.042 0.000 2.258 322 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.274 322 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.274 322 G C 0.138 175.036 174.900 -0.004 0.000 1.021 322 G CA -0.072 45.028 45.100 -0.000 0.000 0.798 322 G HN 0.192 nan 8.290 nan 0.000 0.507 323 R N -0.302 120.213 120.500 0.025 0.000 2.500 323 R HA 0.533 4.873 4.340 -0.000 0.000 0.277 323 R C 0.605 176.883 176.300 -0.037 0.000 1.026 323 R CA -0.697 55.373 56.100 -0.049 0.000 1.058 323 R CB 0.655 30.920 30.300 -0.057 0.000 1.078 323 R HN 0.114 nan 8.270 nan 0.000 0.509 324 K N 1.130 121.363 120.400 -0.277 0.000 2.107 324 K HA 0.337 4.657 4.320 -0.000 0.000 0.251 324 K C -0.098 176.353 176.600 -0.248 0.000 1.012 324 K CA -0.894 55.223 56.287 -0.284 0.000 0.920 324 K CB 0.762 32.738 32.500 -0.874 0.000 1.033 324 K HN 0.281 nan 8.250 nan 0.000 0.478 325 L N 0.492 121.570 121.223 -0.241 0.000 2.341 325 L HA 0.494 4.834 4.340 -0.000 0.000 0.278 325 L C -1.057 175.825 176.870 0.020 0.000 1.005 325 L CA -0.061 54.556 54.840 -0.372 0.000 0.818 325 L CB 1.690 43.118 42.059 -1.052 0.000 1.259 325 L HN 0.704 nan 8.230 nan 0.000 0.418 326 A N 5.818 128.652 122.820 0.023 0.000 3.127 326 A HA 0.653 4.973 4.320 -0.000 0.000 0.319 326 A C -2.700 174.915 177.584 0.051 0.000 1.104 326 A CA -1.157 50.956 52.037 0.128 0.000 0.802 326 A CB -0.090 18.840 19.000 -0.116 0.000 1.193 326 A HN 0.514 nan 8.150 nan 0.000 0.479 327 P HA -0.022 nan 4.420 nan 0.000 0.267 327 P C -0.318 177.007 177.300 0.042 0.000 1.201 327 P CA 0.450 63.495 63.100 -0.091 0.000 0.775 327 P CB 0.276 31.785 31.700 -0.319 0.000 0.854 328 H N 4.512 123.567 119.070 -0.025 0.000 2.467 328 H HA 0.271 4.827 4.556 -0.000 0.000 0.326 328 H C 0.428 176.001 175.328 0.408 0.000 1.094 328 H CA -0.445 55.726 56.048 0.206 0.000 1.253 328 H CB 0.103 29.980 29.762 0.192 0.000 1.439 328 H HN 0.327 nan 8.280 nan 0.000 0.479 329 F N 2.814 122.492 119.950 -0.452 0.000 2.181 329 F HA -0.384 4.143 4.527 -0.000 0.000 0.317 329 F C 0.833 176.604 175.800 -0.049 0.000 0.129 329 F CA 2.040 59.739 58.000 -0.501 0.000 0.911 329 F CB -1.226 37.186 39.000 -0.980 0.000 4.128 329 F HN 0.927 nan 8.300 nan 0.000 0.142 330 A N 0.887 123.236 122.820 -0.786 0.000 2.253 330 A HA -0.232 4.088 4.320 -0.000 0.000 0.278 330 A C 1.419 178.800 177.584 -0.338 0.000 1.381 330 A CA 1.850 53.550 52.037 -0.561 0.000 0.771 330 A CB -1.856 16.915 19.000 -0.382 0.000 1.092 330 A HN 1.487 nan 8.150 nan 0.000 0.360 331 M N -1.758 117.700 119.600 -0.235 0.000 2.279 331 M HA -0.169 4.311 4.480 -0.000 0.000 0.264 331 M C 1.271 177.530 176.300 -0.068 0.000 1.062 331 M CA 2.318 57.578 55.300 -0.067 0.000 1.099 331 M CB -0.585 31.997 32.600 -0.030 0.000 1.394 331 M HN 0.390 nan 8.290 nan 0.000 0.426 332 E N 1.194 121.312 120.200 -0.136 0.000 2.209 332 E HA -0.102 4.248 4.350 -0.000 0.000 0.196 332 E C 2.010 178.643 176.600 0.055 0.000 0.993 332 E CA 1.437 57.776 56.400 -0.102 0.000 0.819 332 E CB -0.309 29.027 29.700 -0.608 0.000 0.745 332 E HN 0.510 nan 8.360 nan 0.000 0.477 333 V N -0.350 119.477 119.914 -0.144 0.000 2.690 333 V HA -0.065 4.055 4.120 -0.000 0.000 0.240 333 V C 1.636 177.623 176.094 -0.178 0.000 1.078 333 V CA 0.730 62.916 62.300 -0.189 0.000 1.102 333 V CB -0.341 31.185 31.823 -0.495 0.000 0.800 333 V HN 0.272 nan 8.190 nan 0.000 0.479 334 H N 0.209 119.201 119.070 -0.130 0.000 2.489 334 H HA -0.075 4.481 4.556 -0.000 0.000 0.293 334 H C 2.093 177.369 175.328 -0.085 0.000 1.066 334 H CA 1.409 57.367 56.048 -0.151 0.000 1.305 334 H CB -0.203 29.517 29.762 -0.071 0.000 1.386 334 H HN 0.307 nan 8.280 nan 0.000 0.551 335 L N 0.788 122.015 121.223 0.006 0.000 2.012 335 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 335 L C 2.267 179.046 176.870 -0.151 0.000 1.073 335 L CA 1.836 56.618 54.840 -0.096 0.000 0.748 335 L CB -0.620 41.319 42.059 -0.199 0.000 0.891 335 L HN 0.256 nan 8.230 nan 0.000 0.431 336 H N -0.562 118.504 119.070 -0.007 0.000 2.357 336 H HA -0.056 4.500 4.556 -0.000 0.000 0.301 336 H C 2.335 177.643 175.328 -0.033 0.000 1.082 336 H CA 1.960 57.992 56.048 -0.026 0.000 1.342 336 H CB -0.204 29.528 29.762 -0.050 0.000 1.389 336 H HN 0.378 nan 8.280 nan 0.000 0.511 337 L N 0.792 122.038 121.223 0.039 0.000 2.027 337 L HA -0.155 4.185 4.340 -0.000 0.000 0.206 337 L C 2.804 179.755 176.870 0.136 0.000 1.074 337 L CA 1.494 56.338 54.840 0.007 0.000 0.745 337 L CB -0.522 41.377 42.059 -0.267 0.000 0.898 337 L HN 0.278 nan 8.230 nan 0.000 0.433 338 S N 0.162 115.934 115.700 0.120 0.000 2.423 338 S HA -0.112 4.358 4.470 -0.000 0.000 0.231 338 S C 2.129 176.814 174.600 0.141 0.000 1.014 338 S CA 0.737 59.023 58.200 0.144 0.000 0.965 338 S CB -0.422 62.842 63.200 0.107 0.000 0.785 338 S HN 0.337 nan 8.310 nan 0.000 0.495 339 A N 1.604 124.474 122.820 0.084 0.000 2.019 339 A HA 0.402 4.722 4.320 -0.000 0.000 0.219 339 A C 2.322 179.986 177.584 0.133 0.000 1.164 339 A CA 1.385 53.461 52.037 0.065 0.000 0.644 339 A CB -1.061 17.948 19.000 0.015 0.000 0.805 339 A HN 0.875 nan 8.150 nan 0.000 0.449 340 A N -2.304 120.614 122.820 0.164 0.000 2.218 340 A HA 0.284 4.604 4.320 -0.000 0.000 0.209 340 A C 0.665 178.442 177.584 0.322 0.000 1.168 340 A CA -0.157 52.002 52.037 0.203 0.000 0.804 340 A CB -0.364 18.715 19.000 0.131 0.000 0.834 340 A HN 0.455 nan 8.150 nan 0.000 0.482 341 Y N 1.567 121.948 120.300 0.136 0.000 2.377 341 Y HA 0.231 4.781 4.550 -0.000 0.000 0.330 341 Y C -1.196 174.657 175.900 -0.078 0.000 1.108 341 Y CA -1.998 56.138 58.100 0.061 0.000 1.308 341 Y CB 0.983 39.471 38.460 0.046 0.000 1.216 341 Y HN 0.103 nan 8.280 nan 0.000 0.518 342 P HA -0.158 nan 4.420 nan 0.000 0.217 342 P C -0.219 176.751 177.300 -0.551 0.000 1.150 342 P CA 1.433 63.987 63.100 -0.910 0.000 0.832 342 P CB 0.505 31.762 31.700 -0.739 0.000 0.787 343 L N -0.266 120.702 121.223 -0.425 0.000 2.379 343 L HA 0.335 4.675 4.340 -0.000 0.000 0.269 343 L C 0.783 177.718 176.870 0.108 0.000 1.084 343 L CA -1.153 53.633 54.840 -0.089 0.000 0.802 343 L CB 0.310 42.370 42.059 0.001 0.000 1.175 343 L HN -0.189 nan 8.230 nan 0.000 0.448 344 E N 4.003 124.232 120.200 0.048 0.000 2.498 344 E HA 0.062 4.412 4.350 -0.000 0.000 0.252 344 E C -2.273 174.389 176.600 0.103 0.000 1.025 344 E CA -0.793 55.627 56.400 0.034 0.000 0.938 344 E CB 0.345 30.034 29.700 -0.020 0.000 0.947 344 E HN 0.181 nan 8.360 nan 0.000 0.478 345 P HA 0.399 nan 4.420 nan 0.000 0.307 345 P C -1.119 176.228 177.300 0.078 0.000 1.307 345 P CA -0.787 62.409 63.100 0.159 0.000 0.814 345 P CB 0.792 32.569 31.700 0.129 0.000 1.311 346 W N -0.743 120.710 121.300 0.255 0.000 2.844 346 W HA 0.566 5.226 4.660 -0.000 0.000 0.340 346 W C -0.888 175.797 176.519 0.276 0.000 1.093 346 W CA -0.519 57.016 57.345 0.317 0.000 1.212 346 W CB 1.886 31.661 29.460 0.525 0.000 1.422 346 W HN 0.125 nan 8.180 nan 0.000 0.515 347 L N 2.320 123.840 121.223 0.495 0.000 2.346 347 L HA 0.476 4.816 4.340 -0.000 0.000 0.276 347 L C -0.326 176.626 176.870 0.137 0.000 1.006 347 L CA -0.638 54.367 54.840 0.275 0.000 0.817 347 L CB 1.642 43.784 42.059 0.138 0.000 1.272 347 L HN 0.456 nan 8.230 nan 0.000 0.421 348 E N 3.805 124.011 120.200 0.010 0.000 2.227 348 E HA 0.180 4.530 4.350 -0.000 0.000 0.282 348 E C -1.297 175.222 176.600 -0.135 0.000 1.015 348 E CA -0.534 55.644 56.400 -0.371 0.000 0.823 348 E CB 0.576 30.251 29.700 -0.042 0.000 1.081 348 E HN 0.670 nan 8.360 nan 0.000 0.396 349 H N 5.149 124.018 119.070 -0.334 0.000 2.459 349 H HA 0.364 4.920 4.556 -0.000 0.000 0.332 349 H C -1.631 173.577 175.328 -0.200 0.000 1.094 349 H CA -0.378 55.580 56.048 -0.150 0.000 1.224 349 H CB 0.460 30.145 29.762 -0.129 0.000 1.449 349 H HN 0.468 nan 8.280 nan 0.000 0.484 350 F N 2.311 121.656 119.950 -1.009 0.000 2.601 350 F HA 0.124 4.651 4.527 -0.000 0.000 0.309 350 F C 1.108 176.382 175.800 -0.877 0.000 1.089 350 F CA -0.721 56.766 58.000 -0.856 0.000 0.940 350 F CB 2.035 40.606 39.000 -0.715 0.000 1.273 350 F HN 0.603 nan 8.300 nan 0.000 0.450 351 E N 0.807 120.870 120.200 -0.229 0.000 2.472 351 E HA -0.043 4.307 4.350 -0.000 0.000 0.196 351 E C 1.024 177.777 176.600 0.254 0.000 1.033 351 E CA 0.305 56.739 56.400 0.057 0.000 0.886 351 E CB -0.102 29.736 29.700 0.231 0.000 0.944 351 E HN 0.660 nan 8.360 nan 0.000 0.492 352 W N 2.058 123.411 121.300 0.090 0.000 2.290 352 W HA -0.145 4.515 4.660 -0.000 0.000 0.318 352 W C 2.083 178.591 176.519 -0.019 0.000 1.248 352 W CA 0.877 58.257 57.345 0.060 0.000 1.263 352 W CB -1.008 28.522 29.460 0.117 0.000 1.147 352 W HN 0.087 nan 8.180 nan 0.000 0.494 353 L N 0.448 121.756 121.223 0.141 0.000 2.591 353 L HA -0.002 4.338 4.340 -0.000 0.000 0.228 353 L C 1.806 178.663 176.870 -0.022 0.000 1.133 353 L CA 0.100 54.919 54.840 -0.035 0.000 0.880 353 L CB -0.816 41.146 42.059 -0.162 0.000 1.033 353 L HN -0.053 nan 8.230 nan 0.000 0.450 354 N N 1.310 120.062 118.700 0.087 0.000 2.094 354 N HA -0.156 4.584 4.740 -0.000 0.000 0.191 354 N C -0.719 174.841 175.510 0.085 0.000 1.023 354 N CA 1.502 54.632 53.050 0.134 0.000 0.857 354 N CB -1.416 37.166 38.487 0.159 0.000 1.013 354 N HN 0.257 nan 8.380 nan 0.000 0.426 355 P HA -0.017 nan 4.420 nan 0.000 0.225 355 P C 1.310 178.533 177.300 -0.129 0.000 1.148 355 P CA 0.669 63.785 63.100 0.026 0.000 0.779 355 P CB -0.004 31.806 31.700 0.184 0.000 0.780 356 L N -3.027 118.007 121.223 -0.314 0.000 2.291 356 L HA 0.005 4.345 4.340 -0.000 0.000 0.214 356 L C 0.513 176.909 176.870 -0.789 0.000 1.120 356 L CA 0.666 55.096 54.840 -0.684 0.000 0.799 356 L CB -0.361 40.962 42.059 -1.226 0.000 0.925 356 L HN -0.067 nan 8.230 nan 0.000 0.446 357 F N -1.747 118.193 119.950 -0.016 0.000 2.579 357 F HA 0.292 4.819 4.527 -0.000 0.000 0.324 357 F C 1.073 176.935 175.800 0.103 0.000 1.058 357 F CA -1.042 56.998 58.000 0.065 0.000 0.944 357 F CB 0.823 39.892 39.000 0.115 0.000 1.245 357 F HN -0.272 nan 8.300 nan 0.000 0.477 358 N N -0.386 118.511 118.700 0.327 0.000 2.409 358 N HA -0.025 4.715 4.740 -0.000 0.000 0.179 358 N C -0.636 175.002 175.510 0.212 0.000 1.032 358 N CA 0.525 53.695 53.050 0.200 0.000 0.898 358 N CB 0.121 38.694 38.487 0.144 0.000 0.971 358 N HN 0.541 nan 8.380 nan 0.000 0.441 359 E N 0.518 120.902 120.200 0.307 0.000 2.202 359 E HA 0.297 4.647 4.350 -0.000 0.000 0.272 359 E C -0.620 176.193 176.600 0.355 0.000 0.951 359 E CA -0.519 56.020 56.400 0.232 0.000 0.813 359 E CB 1.094 30.837 29.700 0.071 0.000 1.151 359 E HN -0.049 nan 8.360 nan 0.000 0.398 360 Q N 1.205 121.148 119.800 0.239 0.000 2.345 360 Q HA 0.454 4.794 4.340 -0.000 0.000 0.268 360 Q C -0.467 175.661 176.000 0.213 0.000 1.054 360 Q CA -0.670 55.296 55.803 0.272 0.000 0.835 360 Q CB 1.907 30.762 28.738 0.194 0.000 1.339 360 Q HN 0.517 nan 8.270 nan 0.000 0.447 361 L N 1.075 122.454 121.223 0.259 0.000 2.417 361 L HA 0.210 4.550 4.340 -0.000 0.000 0.268 361 L C 0.812 177.779 176.870 0.162 0.000 1.158 361 L CA -0.205 54.751 54.840 0.193 0.000 0.819 361 L CB 0.469 42.667 42.059 0.230 0.000 1.112 361 L HN 0.596 nan 8.230 nan 0.000 0.458 362 E N 3.265 123.556 120.200 0.152 0.000 2.152 362 E HA 0.242 4.592 4.350 -0.000 0.000 0.285 362 E C -1.272 175.464 176.600 0.228 0.000 1.043 362 E CA -0.809 55.682 56.400 0.152 0.000 0.839 362 E CB 1.206 30.968 29.700 0.104 0.000 1.069 362 E HN 0.316 nan 8.360 nan 0.000 0.399 363 L N 5.783 127.110 121.223 0.174 0.000 2.265 363 L HA 0.480 4.820 4.340 -0.000 0.000 0.289 363 L C -0.952 176.025 176.870 0.179 0.000 1.033 363 L CA -0.142 54.804 54.840 0.177 0.000 0.814 363 L CB 0.939 43.049 42.059 0.086 0.000 1.203 363 L HN 0.651 nan 8.230 nan 0.000 0.423 364 R N 3.620 124.288 120.500 0.280 0.000 2.566 364 R HA 0.283 4.623 4.340 -0.000 0.000 0.271 364 R C -0.782 175.699 176.300 0.301 0.000 1.071 364 R CA -0.409 55.829 56.100 0.230 0.000 0.915 364 R CB 1.053 31.422 30.300 0.113 0.000 1.228 364 R HN 0.678 nan 8.270 nan 0.000 0.449 365 D N 2.758 123.273 120.400 0.191 0.000 2.708 365 D HA -0.165 4.475 4.640 -0.000 0.000 0.236 365 D C 0.736 177.131 176.300 0.158 0.000 1.146 365 D CA 2.495 56.601 54.000 0.178 0.000 0.662 365 D CB -0.941 39.982 40.800 0.204 0.000 1.059 365 D HN 1.071 nan 8.370 nan 0.000 0.428 366 G N -0.653 108.234 108.800 0.145 0.000 2.184 366 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.264 366 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.264 366 G C 0.413 175.330 174.900 0.029 0.000 0.975 366 G CA 0.630 45.791 45.100 0.100 0.000 0.642 366 G HN 0.686 nan 8.290 nan 0.000 0.536 367 R N -1.344 119.181 120.500 0.043 0.000 2.807 367 R HA 0.744 5.084 4.340 -0.000 0.000 0.276 367 R C -0.741 175.526 176.300 -0.055 0.000 0.979 367 R CA -1.176 54.856 56.100 -0.114 0.000 0.928 367 R CB 1.308 31.396 30.300 -0.354 0.000 1.191 367 R HN 0.123 nan 8.270 nan 0.000 0.471 368 M N 1.729 121.249 119.600 -0.133 0.000 2.129 368 M HA 0.313 4.793 4.480 -0.000 0.000 0.348 368 M C -1.681 174.531 176.300 -0.148 0.000 1.116 368 M CA -0.613 54.683 55.300 -0.006 0.000 1.022 368 M CB 0.707 33.318 32.600 0.019 0.000 1.599 368 M HN 0.425 nan 8.290 nan 0.000 0.449 369 W N 5.694 126.989 121.300 -0.008 0.000 2.438 369 W HA 0.533 5.193 4.660 -0.000 0.000 0.324 369 W C -0.467 176.029 176.519 -0.040 0.000 1.119 369 W CA -0.417 56.916 57.345 -0.020 0.000 1.221 369 W CB 0.385 29.838 29.460 -0.010 0.000 1.253 369 W HN 0.461 nan 8.180 nan 0.000 0.555 370 I N 3.781 124.427 120.570 0.128 0.000 2.452 370 I HA 0.041 4.211 4.170 -0.000 0.000 0.287 370 I C 1.051 177.229 176.117 0.102 0.000 1.079 370 I CA -0.227 61.097 61.300 0.040 0.000 1.387 370 I CB 0.143 38.147 38.000 0.006 0.000 1.404 370 I HN 0.440 nan 8.210 nan 0.000 0.522 371 S N 3.989 119.719 115.700 0.051 0.000 2.634 371 S HA 0.051 4.521 4.470 -0.000 0.000 0.261 371 S C 0.866 175.500 174.600 0.057 0.000 1.271 371 S CA -0.470 57.754 58.200 0.040 0.000 0.985 371 S CB 0.992 64.175 63.200 -0.028 0.000 0.968 371 S HN 0.746 nan 8.310 nan 0.000 0.568 372 D N -0.690 119.738 120.400 0.046 0.000 2.340 372 D HA -0.022 4.618 4.640 -0.000 0.000 0.220 372 D C 0.334 176.689 176.300 0.092 0.000 1.039 372 D CA -0.089 53.957 54.000 0.076 0.000 0.866 372 D CB -0.319 40.517 40.800 0.059 0.000 0.913 372 D HN 0.431 nan 8.370 nan 0.000 0.523 373 R N 0.467 120.980 120.500 0.022 0.000 2.643 373 R HA 0.180 4.520 4.340 -0.000 0.000 0.270 373 R C 0.258 176.629 176.300 0.119 0.000 1.061 373 R CA -0.093 55.990 56.100 -0.027 0.000 1.107 373 R CB 0.402 30.634 30.300 -0.112 0.000 0.999 373 R HN 0.355 nan 8.270 nan 0.000 0.460 374 H N 0.163 119.226 119.070 -0.013 0.000 2.615 374 H HA 0.166 4.722 4.556 -0.000 0.000 0.363 374 H C 1.329 176.637 175.328 -0.034 0.000 1.148 374 H CA -0.058 55.986 56.048 -0.007 0.000 1.401 374 H CB 0.889 30.664 29.762 0.021 0.000 1.461 374 H HN 0.846 nan 8.280 nan 0.000 0.588 375 G N 0.788 109.626 108.800 0.063 0.000 2.596 375 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.295 375 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.295 375 G C 0.939 175.719 174.900 -0.199 0.000 1.240 375 G CA 0.455 45.531 45.100 -0.040 0.000 0.985 375 G HN 0.569 nan 8.290 nan 0.000 0.555 376 L N 1.805 122.961 121.223 -0.113 0.000 2.275 376 L HA 0.259 4.599 4.340 -0.000 0.000 0.215 376 L C 2.484 179.365 176.870 0.017 0.000 1.119 376 L CA 1.344 56.157 54.840 -0.046 0.000 0.790 376 L CB -0.700 41.457 42.059 0.162 0.000 0.919 376 L HN 2.111 nan 8.230 nan 0.000 0.443 377 G N -0.471 108.272 108.800 -0.094 0.000 2.149 377 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.235 377 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.235 377 G C -0.177 174.350 174.900 -0.622 0.000 1.018 377 G CA -0.270 44.650 45.100 -0.300 0.000 0.728 377 G HN 0.185 nan 8.290 nan 0.000 0.508 378 F N 0.071 119.995 119.950 -0.043 0.000 2.576 378 F HA 0.753 5.280 4.527 -0.000 0.000 0.313 378 F C 0.481 176.317 175.800 0.061 0.000 1.078 378 F CA -0.161 57.788 58.000 -0.085 0.000 0.921 378 F CB 2.383 41.078 39.000 -0.509 0.000 1.232 378 F HN 0.268 nan 8.300 nan 0.000 0.459 379 T N 0.094 114.866 114.554 0.364 0.000 2.876 379 T HA 0.683 5.033 4.350 -0.000 0.000 0.289 379 T C -0.709 174.216 174.700 0.375 0.000 1.014 379 T CA -0.899 61.380 62.100 0.298 0.000 0.986 379 T CB 1.181 70.158 68.868 0.182 0.000 1.021 379 T HN 0.511 nan 8.240 nan 0.000 0.458 380 L N 3.378 124.779 121.223 0.296 0.000 2.499 380 L HA 0.313 4.653 4.340 -0.000 0.000 0.273 380 L C 1.357 178.286 176.870 0.098 0.000 1.195 380 L CA -0.422 54.534 54.840 0.193 0.000 0.882 380 L CB 0.510 42.653 42.059 0.139 0.000 1.133 380 L HN 0.998 nan 8.230 nan 0.000 0.483 381 S N 1.092 116.799 115.700 0.012 0.000 2.669 381 S HA 0.119 4.589 4.470 -0.000 0.000 0.270 381 S C 0.781 175.335 174.600 -0.076 0.000 1.225 381 S CA -0.601 57.581 58.200 -0.029 0.000 0.991 381 S CB 1.685 64.838 63.200 -0.080 0.000 0.987 381 S HN 0.649 nan 8.310 nan 0.000 0.552 382 E N 0.381 120.527 120.200 -0.090 0.000 2.150 382 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 382 E C 1.971 178.451 176.600 -0.201 0.000 0.985 382 E CA 1.476 57.810 56.400 -0.110 0.000 0.814 382 E CB -0.464 29.178 29.700 -0.097 0.000 0.752 382 E HN 0.731 nan 8.360 nan 0.000 0.466 383 Q N 0.040 119.659 119.800 -0.302 0.000 2.124 383 Q HA -0.020 4.320 4.340 -0.000 0.000 0.202 383 Q C 1.925 177.598 176.000 -0.545 0.000 0.977 383 Q CA 1.938 57.393 55.803 -0.580 0.000 0.850 383 Q CB -0.659 27.637 28.738 -0.737 0.000 0.901 383 Q HN 0.335 nan 8.270 nan 0.000 0.429 384 A N 0.203 122.854 122.820 -0.282 0.000 1.933 384 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 384 A C 1.952 179.510 177.584 -0.045 0.000 1.175 384 A CA 1.380 53.350 52.037 -0.112 0.000 0.628 384 A CB -0.367 18.551 19.000 -0.136 0.000 0.814 384 A HN 0.232 nan 8.150 nan 0.000 0.444 385 R N -0.410 120.046 120.500 -0.073 0.000 2.075 385 R HA 0.001 4.341 4.340 -0.000 0.000 0.232 385 R C 2.174 178.456 176.300 -0.031 0.000 1.126 385 R CA 1.288 57.372 56.100 -0.028 0.000 0.963 385 R CB -0.730 29.555 30.300 -0.025 0.000 0.858 385 R HN 0.555 nan 8.270 nan 0.000 0.435 386 R N -0.504 119.926 120.500 -0.117 0.000 2.096 386 R HA -0.109 4.231 4.340 -0.000 0.000 0.235 386 R C 1.535 177.851 176.300 0.028 0.000 1.127 386 R CA 1.060 57.091 56.100 -0.116 0.000 0.968 386 R CB -0.034 30.100 30.300 -0.276 0.000 0.861 386 R HN 0.254 nan 8.270 nan 0.000 0.440 387 W N 0.624 121.905 121.300 -0.031 0.000 3.180 387 W HA 0.120 4.780 4.660 -0.000 0.000 0.254 387 W C 0.085 176.599 176.519 -0.008 0.000 1.318 387 W CA 0.045 57.380 57.345 -0.018 0.000 1.608 387 W CB -0.475 28.961 29.460 -0.040 0.000 1.124 387 W HN -0.160 nan 8.180 nan 0.000 0.694 388 T N 1.316 115.972 114.554 0.171 0.000 2.851 388 T HA 0.074 4.424 4.350 -0.000 0.000 0.298 388 T C 1.180 175.926 174.700 0.077 0.000 0.977 388 T CA 0.351 62.500 62.100 0.082 0.000 1.126 388 T CB 1.658 70.551 68.868 0.042 0.000 0.916 388 T HN 0.118 nan 8.240 nan 0.000 0.529 389 Q N 1.814 121.647 119.800 0.056 0.000 2.423 389 Q HA 0.333 4.673 4.340 -0.000 0.000 0.231 389 Q C 0.010 175.998 176.000 -0.021 0.000 0.894 389 Q CA 0.464 56.300 55.803 0.056 0.000 0.938 389 Q CB 0.514 29.339 28.738 0.146 0.000 1.079 389 Q HN 0.530 nan 8.270 nan 0.000 0.552 390 L N -0.437 120.707 121.223 -0.132 0.000 2.371 390 L HA 0.631 4.971 4.340 -0.000 0.000 0.262 390 L C -0.569 176.207 176.870 -0.157 0.000 1.006 390 L CA -0.640 54.090 54.840 -0.183 0.000 0.818 390 L CB 2.559 44.380 42.059 -0.397 0.000 1.354 390 L HN -0.201 nan 8.230 nan 0.000 0.415 391 T N 0.458 115.040 114.554 0.047 0.000 2.840 391 T HA 0.698 5.048 4.350 -0.000 0.000 0.317 391 T C -1.652 173.147 174.700 0.166 0.000 1.401 391 T CA -0.432 61.756 62.100 0.146 0.000 1.028 391 T CB 1.343 70.258 68.868 0.079 0.000 1.317 391 T HN 0.939 nan 8.240 nan 0.000 0.495 392 C N 1.592 120.960 119.300 0.113 0.000 3.311 392 C HA 0.941 5.401 4.460 -0.000 0.000 0.325 392 C C -1.230 173.608 174.990 -0.254 0.000 1.352 392 C CA -0.838 58.127 59.018 -0.088 0.000 1.308 392 C CB 1.082 28.754 27.740 -0.113 0.000 1.619 392 C HN 1.012 nan 8.230 nan 0.000 0.469 393 E N -0.112 119.769 120.200 -0.531 0.000 2.393 393 E HA 0.782 5.132 4.350 -0.000 0.000 0.273 393 E C -1.810 174.213 176.600 -0.962 0.000 0.918 393 E CA -0.367 55.694 56.400 -0.565 0.000 0.773 393 E CB 2.478 32.075 29.700 -0.171 0.000 1.275 393 E HN 0.611 nan 8.360 nan 0.000 0.451 394 F N 0.004 119.815 119.950 -0.232 0.000 2.588 394 F HA 0.598 5.125 4.527 -0.000 0.000 0.310 394 F C 0.799 176.578 175.800 -0.036 0.000 1.082 394 F CA -0.031 57.901 58.000 -0.113 0.000 0.929 394 F CB 2.154 41.072 39.000 -0.137 0.000 1.254 394 F HN 0.734 nan 8.300 nan 0.000 0.455 395 G N 2.129 111.058 108.800 0.214 0.000 2.553 395 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.242 395 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.242 395 G C -1.120 173.972 174.900 0.320 0.000 1.277 395 G CA -0.248 44.995 45.100 0.237 0.000 0.910 395 G HN 0.868 nan 8.290 nan 0.000 0.576 396 K N 0.116 120.722 120.400 0.342 0.000 2.535 396 K HA 0.488 4.808 4.320 -0.000 0.000 0.251 396 K C 0.210 176.869 176.600 0.098 0.000 0.942 396 K CA -0.824 55.605 56.287 0.237 0.000 0.798 396 K CB 1.231 33.795 32.500 0.107 0.000 1.267 396 K HN 0.686 nan 8.250 nan 0.000 0.434 397 R N 3.551 123.894 120.500 -0.262 0.000 2.504 397 R HA 0.016 4.356 4.340 -0.000 0.000 0.291 397 R C -2.005 174.179 176.300 -0.193 0.000 0.974 397 R CA -0.850 54.947 56.100 -0.504 0.000 1.077 397 R CB -0.237 29.629 30.300 -0.722 0.000 0.926 397 R HN 0.432 nan 8.270 nan 0.000 0.407 398 P HA 0.000 nan 4.420 nan 0.000 0.216 398 P CA 0.000 63.065 63.100 -0.058 0.000 0.800 398 P CB 0.000 31.685 31.700 -0.025 0.000 0.726