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 2df7_1_I DATA FIRST_RESID 11 DATA SEQUENCE IVPFIRSLLM PTTGPASIPD DTLEKHTLRS ETSTYNLTVG DTGSGLIVFF DATA SEQUENCE PGFPGSIVGA HYTLQSNGNY KFDQMLLTAQ NLPASYNYCR LVSRSLTVRS DATA SEQUENCE STLPXXXXXL NGTINAVTFQ GSLSELTDVS YNGLMSATAN INDKIGNVLV DATA SEQUENCE GEGVTVLSLP TSYDLGYVRL GDPIPAIGLD PKMVATCDSS DRPRVYTITA DATA SEQUENCE ADDYQFSSQY QSGGVTITLF SANIDAITSL SIGGELVFHT SVHGLALDAT DATA SEQUENCE IYLIGFDGTT VITRAVASDN GLTTGIDNLM PFNLVIPTNE ITQPITSIKL DATA SEQUENCE EIVTSKSGGQ AGDQMSWSAS GSLAVTIHGG NYPGALRPVT LVAYERVATG DATA SEQUENCE SVVTVAGVSN FELIPNPELA KNLVTEYGRF DPGAMNYTKL ILSERERLGI DATA SEQUENCE KTVWPTREYT DFREYFME 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 11 I HA 0.000 nan 4.170 nan 0.000 0.288 11 I C 0.000 176.049 176.117 -0.113 0.000 1.063 11 I CA 0.000 61.203 61.300 -0.161 0.000 1.566 11 I CB 0.000 37.931 38.000 -0.115 0.000 1.214 12 V N 7.734 127.607 119.914 -0.068 0.000 2.334 12 V HA 0.401 4.521 4.120 -0.000 0.000 0.281 12 V C -1.879 174.260 176.094 0.076 0.000 1.016 12 V CA -1.251 61.047 62.300 -0.002 0.000 0.832 12 V CB 1.006 32.842 31.823 0.022 0.000 0.999 12 V HN 0.725 nan 8.190 nan 0.000 0.439 13 P HA -0.246 nan 4.420 nan 0.000 0.217 13 P C 1.608 178.962 177.300 0.091 0.000 1.158 13 P CA 1.574 64.719 63.100 0.075 0.000 0.887 13 P CB 0.071 31.816 31.700 0.075 0.000 0.792 14 F N -0.041 119.929 119.950 0.033 0.000 2.134 14 F HA -0.187 4.340 4.527 -0.000 0.000 0.299 14 F C 1.978 177.815 175.800 0.061 0.000 1.097 14 F CA 1.367 59.385 58.000 0.030 0.000 1.264 14 F CB -0.683 38.318 39.000 0.001 0.000 1.001 14 F HN -0.224 nan 8.300 nan 0.000 0.479 15 I N 0.491 121.047 120.570 -0.023 0.000 2.226 15 I HA -0.278 3.892 4.170 -0.000 0.000 0.245 15 I C 2.566 178.611 176.117 -0.120 0.000 1.100 15 I CA 1.445 62.730 61.300 -0.024 0.000 1.374 15 I CB -1.347 36.842 38.000 0.314 0.000 1.057 15 I HN 0.224 nan 8.210 nan 0.000 0.413 16 R N 0.468 120.956 120.500 -0.020 0.000 2.081 16 R HA -0.176 4.164 4.340 -0.000 0.000 0.235 16 R C 2.584 178.780 176.300 -0.173 0.000 1.131 16 R CA 1.990 58.059 56.100 -0.052 0.000 0.960 16 R CB -0.145 30.195 30.300 0.068 0.000 0.856 16 R HN 0.216 nan 8.270 nan 0.000 0.436 17 S N 0.141 115.717 115.700 -0.207 0.000 2.371 17 S HA -0.099 4.371 4.470 -0.000 0.000 0.224 17 S C 1.855 176.273 174.600 -0.303 0.000 1.029 17 S CA 0.931 59.000 58.200 -0.218 0.000 0.978 17 S CB -0.228 62.864 63.200 -0.180 0.000 0.833 17 S HN 0.343 nan 8.310 nan 0.000 0.466 18 L N 1.530 122.445 121.223 -0.512 0.000 1.994 18 L HA 0.101 4.441 4.340 -0.000 0.000 0.208 18 L C 1.971 178.715 176.870 -0.209 0.000 1.071 18 L CA 1.879 56.462 54.840 -0.428 0.000 0.745 18 L CB -0.558 41.153 42.059 -0.579 0.000 0.892 18 L HN 0.387 nan 8.230 nan 0.000 0.431 19 L N -1.585 119.510 121.223 -0.213 0.000 2.446 19 L HA 0.063 4.403 4.340 -0.000 0.000 0.219 19 L C 0.751 177.570 176.870 -0.085 0.000 1.116 19 L CA 0.331 55.097 54.840 -0.123 0.000 0.844 19 L CB -0.047 41.900 42.059 -0.187 0.000 0.970 19 L HN 0.236 nan 8.230 nan 0.000 0.457 20 M N -0.787 118.724 119.600 -0.149 0.000 2.720 20 M HA 0.230 4.709 4.480 -0.000 0.000 0.250 20 M C -1.961 174.296 176.300 -0.072 0.000 1.280 20 M CA -1.242 54.015 55.300 -0.071 0.000 0.579 20 M CB 1.608 34.123 32.600 -0.141 0.000 1.469 20 M HN -0.256 nan 8.290 nan 0.000 0.416 21 P HA -0.189 nan 4.420 nan 0.000 0.217 21 P C 1.352 178.615 177.300 -0.061 0.000 1.148 21 P CA 1.630 64.677 63.100 -0.089 0.000 0.834 21 P CB -0.153 31.482 31.700 -0.110 0.000 0.783 22 T N -4.591 109.939 114.554 -0.040 0.000 3.098 22 T HA -0.106 4.244 4.350 -0.000 0.000 0.266 22 T C 1.467 176.158 174.700 -0.015 0.000 1.145 22 T CA 1.576 63.662 62.100 -0.023 0.000 1.092 22 T CB -1.503 67.361 68.868 -0.008 0.000 0.908 22 T HN 0.229 nan 8.240 nan 0.000 0.526 23 T N -1.971 112.570 114.554 -0.023 0.000 3.100 23 T HA 0.518 4.868 4.350 -0.000 0.000 0.253 23 T C 1.134 175.830 174.700 -0.007 0.000 1.118 23 T CA 0.135 62.227 62.100 -0.013 0.000 1.058 23 T CB -0.319 68.539 68.868 -0.016 0.000 0.953 23 T HN 1.069 nan 8.240 nan 0.000 0.515 24 G N 1.618 110.411 108.800 -0.012 0.000 2.381 24 G HA2 0.250 4.210 3.960 -0.000 0.000 0.672 24 G HA3 0.250 4.210 3.960 -0.000 0.000 0.672 24 G C -3.403 171.496 174.900 -0.001 0.000 1.324 24 G CA -0.643 44.458 45.100 0.003 0.000 0.975 24 G HN 0.276 nan 8.290 nan 0.000 0.593 25 P HA 0.732 nan 4.420 nan 0.000 0.283 25 P C -0.383 176.966 177.300 0.081 0.000 1.278 25 P CA 0.303 63.430 63.100 0.045 0.000 0.834 25 P CB 2.115 33.858 31.700 0.072 0.000 1.150 26 A N 0.137 123.039 122.820 0.136 0.000 2.612 26 A HA 0.567 4.887 4.320 -0.000 0.000 0.293 26 A C -0.622 177.118 177.584 0.261 0.000 1.075 26 A CA -0.518 51.635 52.037 0.192 0.000 0.680 26 A CB 0.616 19.738 19.000 0.205 0.000 1.279 26 A HN 0.382 nan 8.150 nan 0.000 0.411 27 S N 0.494 116.337 115.700 0.238 0.000 2.584 27 S HA 0.470 4.940 4.470 -0.000 0.000 0.273 27 S C 0.245 174.844 174.600 -0.002 0.000 1.311 27 S CA -0.290 58.025 58.200 0.191 0.000 1.034 27 S CB 0.338 63.702 63.200 0.274 0.000 0.939 27 S HN 0.471 nan 8.310 nan 0.000 0.513 28 I N 4.661 125.107 120.570 -0.207 0.000 2.533 28 I HA 0.126 4.296 4.170 -0.000 0.000 0.284 28 I C -1.490 174.298 176.117 -0.549 0.000 1.109 28 I CA -1.512 59.368 61.300 -0.700 0.000 1.412 28 I CB 0.528 38.172 38.000 -0.593 0.000 1.396 28 I HN 0.425 nan 8.210 nan 0.000 0.543 29 P HA 0.071 nan 4.420 nan 0.000 0.220 29 P C -1.032 176.112 177.300 -0.260 0.000 1.778 29 P CA -0.199 62.701 63.100 -0.333 0.000 0.912 29 P CB -0.393 31.143 31.700 -0.272 0.000 1.861 30 D N -0.897 119.357 120.400 -0.244 0.000 2.538 30 D HA 0.137 4.777 4.640 -0.000 0.000 0.262 30 D C 0.488 176.767 176.300 -0.036 0.000 1.186 30 D CA -0.373 53.548 54.000 -0.132 0.000 1.090 30 D CB -0.144 40.578 40.800 -0.130 0.000 1.187 30 D HN -0.204 nan 8.370 nan 0.000 0.614 31 D N -1.339 119.058 120.400 -0.005 0.000 2.363 31 D HA 0.061 4.700 4.640 -0.000 0.000 0.214 31 D C -0.026 176.298 176.300 0.040 0.000 1.093 31 D CA 0.290 54.300 54.000 0.016 0.000 0.837 31 D CB 0.100 40.909 40.800 0.015 0.000 0.948 31 D HN 0.254 nan 8.370 nan 0.000 0.507 32 T N 2.072 116.659 114.554 0.055 0.000 4.098 32 T HA 0.179 4.529 4.350 -0.000 0.000 0.291 32 T C 0.979 175.780 174.700 0.168 0.000 1.440 32 T CA -0.172 61.994 62.100 0.109 0.000 1.164 32 T CB -0.363 68.573 68.868 0.115 0.000 1.313 32 T HN 0.040 nan 8.240 nan 0.000 0.951 33 L N 3.201 124.515 121.223 0.151 0.000 2.505 33 L HA 0.214 4.554 4.340 -0.000 0.000 0.279 33 L C 0.745 177.842 176.870 0.379 0.000 1.211 33 L CA 0.306 55.293 54.840 0.246 0.000 1.059 33 L CB -0.296 41.819 42.059 0.095 0.000 1.340 33 L HN 0.379 nan 8.230 nan 0.000 0.447 34 E N 2.839 123.247 120.200 0.346 0.000 2.227 34 E HA 0.355 4.705 4.350 -0.000 0.000 0.268 34 E C -0.670 175.936 176.600 0.010 0.000 0.907 34 E CA -1.011 55.455 56.400 0.111 0.000 0.786 34 E CB 2.564 32.130 29.700 -0.224 0.000 1.191 34 E HN 0.317 nan 8.360 nan 0.000 0.411 35 K N 3.050 123.213 120.400 -0.396 0.000 2.379 35 K HA 0.090 4.410 4.320 -0.000 0.000 0.284 35 K C 0.099 176.611 176.600 -0.146 0.000 1.044 35 K CA 0.209 56.200 56.287 -0.492 0.000 0.974 35 K CB 0.252 32.425 32.500 -0.544 0.000 0.962 35 K HN 0.535 nan 8.250 nan 0.000 0.474 36 H N -0.400 118.607 119.070 -0.105 0.000 2.942 36 H HA 0.439 4.994 4.556 -0.000 0.000 0.316 36 H C -1.168 174.197 175.328 0.062 0.000 1.323 36 H CA -0.794 55.265 56.048 0.018 0.000 1.144 36 H CB 1.811 31.678 29.762 0.174 0.000 1.866 36 H HN 0.478 nan 8.280 nan 0.000 0.545 37 T N 0.312 114.985 114.554 0.199 0.000 2.916 37 T HA 0.594 4.944 4.350 -0.000 0.000 0.292 37 T C -0.957 173.898 174.700 0.258 0.000 1.064 37 T CA -0.781 61.401 62.100 0.136 0.000 1.011 37 T CB 1.114 70.073 68.868 0.152 0.000 1.152 37 T HN 0.427 nan 8.240 nan 0.000 0.510 38 L N 3.492 124.828 121.223 0.188 0.000 2.329 38 L HA 0.744 5.084 4.340 -0.000 0.000 0.279 38 L C 0.049 177.007 176.870 0.146 0.000 1.014 38 L CA -1.061 53.898 54.840 0.198 0.000 0.814 38 L CB 1.564 43.731 42.059 0.180 0.000 1.257 38 L HN 0.492 nan 8.230 nan 0.000 0.424 39 R N 1.308 121.900 120.500 0.153 0.000 2.774 39 R HA 0.598 4.938 4.340 -0.000 0.000 0.272 39 R C -1.424 174.986 176.300 0.183 0.000 1.000 39 R CA -0.890 55.298 56.100 0.148 0.000 0.906 39 R CB 2.392 32.751 30.300 0.100 0.000 1.227 39 R HN 0.477 nan 8.270 nan 0.000 0.468 40 S N 1.271 117.063 115.700 0.152 0.000 2.519 40 S HA 0.423 4.893 4.470 -0.000 0.000 0.309 40 S C -0.909 173.790 174.600 0.166 0.000 1.100 40 S CA -0.739 57.537 58.200 0.127 0.000 1.059 40 S CB 1.880 65.122 63.200 0.069 0.000 1.008 40 S HN 0.228 nan 8.310 nan 0.000 0.478 41 E N 2.686 123.019 120.200 0.223 0.000 2.176 41 E HA 0.358 4.708 4.350 -0.000 0.000 0.267 41 E C -0.018 176.676 176.600 0.157 0.000 0.893 41 E CA -0.423 56.109 56.400 0.219 0.000 0.761 41 E CB 1.859 31.761 29.700 0.337 0.000 1.133 41 E HN 0.717 nan 8.360 nan 0.000 0.409 42 T N -0.522 114.098 114.554 0.109 0.000 2.847 42 T HA 0.561 4.911 4.350 -0.000 0.000 0.279 42 T C 0.272 175.034 174.700 0.104 0.000 0.984 42 T CA -0.624 61.526 62.100 0.082 0.000 0.988 42 T CB 0.995 69.891 68.868 0.047 0.000 1.040 42 T HN 0.114 nan 8.240 nan 0.000 0.528 43 S N 0.935 116.697 115.700 0.103 0.000 2.672 43 S HA 0.670 5.139 4.470 -0.000 0.000 0.291 43 S C -0.666 174.003 174.600 0.114 0.000 1.145 43 S CA -0.904 57.399 58.200 0.171 0.000 1.013 43 S CB 1.523 64.883 63.200 0.266 0.000 1.017 43 S HN 1.114 nan 8.310 nan 0.000 0.487 44 T N 1.107 115.627 114.554 -0.055 0.000 2.928 44 T HA 0.762 5.111 4.350 -0.000 0.000 0.296 44 T C -1.424 173.021 174.700 -0.425 0.000 1.000 44 T CA -0.553 61.478 62.100 -0.114 0.000 0.989 44 T CB 0.719 69.514 68.868 -0.122 0.000 1.005 44 T HN 0.411 nan 8.240 nan 0.000 0.442 45 Y N 0.984 121.288 120.300 0.007 0.000 2.534 45 Y HA 0.562 5.112 4.550 -0.000 0.000 0.345 45 Y C -0.372 175.509 175.900 -0.031 0.000 1.031 45 Y CA -1.236 56.858 58.100 -0.010 0.000 1.022 45 Y CB 2.428 40.879 38.460 -0.014 0.000 1.292 45 Y HN 0.593 nan 8.280 nan 0.000 0.459 46 N N 3.447 122.197 118.700 0.083 0.000 2.626 46 N HA 0.399 5.139 4.740 -0.000 0.000 0.249 46 N C -1.319 174.208 175.510 0.027 0.000 1.021 46 N CA -0.275 52.791 53.050 0.027 0.000 0.886 46 N CB 1.028 39.516 38.487 0.000 0.000 1.149 46 N HN 0.543 nan 8.380 nan 0.000 0.517 47 L N 0.855 122.064 121.223 -0.022 0.000 2.395 47 L HA 0.435 4.775 4.340 -0.000 0.000 0.269 47 L C 0.748 177.607 176.870 -0.017 0.000 1.133 47 L CA -0.248 54.562 54.840 -0.049 0.000 0.812 47 L CB 0.770 42.640 42.059 -0.314 0.000 1.125 47 L HN 0.168 nan 8.230 nan 0.000 0.452 48 T N 1.366 115.963 114.554 0.071 0.000 2.794 48 T HA 0.367 4.716 4.350 -0.000 0.000 0.280 48 T C -0.073 174.709 174.700 0.136 0.000 0.987 48 T CA -0.485 61.656 62.100 0.068 0.000 0.993 48 T CB 1.853 70.755 68.868 0.056 0.000 0.939 48 T HN 0.192 nan 8.240 nan 0.000 0.449 49 V N 3.409 123.377 119.914 0.090 0.000 2.530 49 V HA 0.447 4.567 4.120 -0.000 0.000 0.282 49 V C 1.263 177.437 176.094 0.133 0.000 1.048 49 V CA -0.273 62.120 62.300 0.156 0.000 0.997 49 V CB 0.962 32.839 31.823 0.091 0.000 0.987 49 V HN 1.051 nan 8.190 nan 0.000 0.477 50 G N 2.993 111.888 108.800 0.158 0.000 2.611 50 G HA2 0.155 4.114 3.960 -0.000 0.000 0.273 50 G HA3 0.155 4.114 3.960 -0.000 0.000 0.273 50 G C 0.681 175.621 174.900 0.068 0.000 1.305 50 G CA 0.314 45.468 45.100 0.090 0.000 1.010 50 G HN 0.882 nan 8.290 nan 0.000 0.509 51 D N -2.043 118.380 120.400 0.038 0.000 2.310 51 D HA -0.143 4.497 4.640 -0.000 0.000 0.212 51 D C 2.087 178.398 176.300 0.018 0.000 0.965 51 D CA 1.581 55.596 54.000 0.024 0.000 0.879 51 D CB -0.568 40.238 40.800 0.010 0.000 0.921 51 D HN 0.417 nan 8.370 nan 0.000 0.510 52 T N -4.139 110.424 114.554 0.015 0.000 3.088 52 T HA 0.278 4.627 4.350 -0.000 0.000 0.259 52 T C 1.855 176.566 174.700 0.018 0.000 1.122 52 T CA 0.527 62.625 62.100 -0.003 0.000 1.095 52 T CB -0.475 68.372 68.868 -0.035 0.000 0.930 52 T HN 0.421 nan 8.240 nan 0.000 0.508 53 G N 0.333 109.174 108.800 0.069 0.000 2.155 53 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.257 53 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.257 53 G C 0.128 175.139 174.900 0.184 0.000 0.983 53 G CA 0.274 45.446 45.100 0.120 0.000 0.676 53 G HN 0.781 nan 8.290 nan 0.000 0.528 54 S N -0.792 114.964 115.700 0.093 0.000 2.536 54 S HA 0.894 5.364 4.470 -0.000 0.000 0.298 54 S C 0.400 174.831 174.600 -0.281 0.000 1.083 54 S CA 0.209 58.355 58.200 -0.091 0.000 0.995 54 S CB 2.137 65.265 63.200 -0.119 0.000 1.058 54 S HN 1.615 nan 8.310 nan 0.000 0.488 55 G N 0.603 108.825 108.800 -0.963 0.000 2.550 55 G HA2 0.622 4.582 3.960 -0.000 0.000 0.293 55 G HA3 0.622 4.582 3.960 -0.000 0.000 0.293 55 G C -2.462 172.118 174.900 -0.535 0.000 1.402 55 G CA -0.519 44.155 45.100 -0.709 0.000 0.784 55 G HN 0.629 nan 8.290 nan 0.000 0.482 56 L N -0.149 121.072 121.223 -0.003 0.000 2.464 56 L HA 0.780 5.120 4.340 -0.000 0.000 0.266 56 L C -1.271 175.702 176.870 0.172 0.000 0.965 56 L CA -0.671 54.198 54.840 0.049 0.000 0.833 56 L CB 1.806 43.802 42.059 -0.106 0.000 1.296 56 L HN 0.496 nan 8.230 nan 0.000 0.405 57 I N 5.248 125.849 120.570 0.052 0.000 2.378 57 I HA 0.476 4.646 4.170 -0.000 0.000 0.291 57 I C -0.693 175.185 176.117 -0.398 0.000 0.992 57 I CA -0.853 60.339 61.300 -0.179 0.000 1.154 57 I CB 1.911 39.676 38.000 -0.392 0.000 1.315 57 I HN 0.250 nan 8.210 nan 0.000 0.448 58 V N 7.131 126.770 119.914 -0.458 0.000 2.350 58 V HA 0.382 4.501 4.120 -0.000 0.000 0.276 58 V C -0.307 175.311 176.094 -0.792 0.000 1.028 58 V CA -0.400 61.582 62.300 -0.530 0.000 0.860 58 V CB 0.762 32.291 31.823 -0.489 0.000 0.990 58 V HN 0.396 nan 8.190 nan 0.000 0.453 59 F N 3.861 123.537 119.950 -0.456 0.000 2.458 59 F HA 0.576 5.103 4.527 -0.000 0.000 0.330 59 F C 0.087 175.550 175.800 -0.562 0.000 1.082 59 F CA -0.592 57.135 58.000 -0.454 0.000 0.995 59 F CB 1.725 40.615 39.000 -0.183 0.000 1.170 59 F HN 0.358 nan 8.300 nan 0.000 0.478 60 F N 3.691 123.802 119.950 0.270 0.000 2.366 60 F HA 0.252 4.778 4.527 -0.000 0.000 0.328 60 F C -1.469 174.471 175.800 0.233 0.000 1.180 60 F CA -1.756 56.378 58.000 0.225 0.000 1.232 60 F CB 0.133 39.265 39.000 0.221 0.000 1.513 60 F HN 0.297 nan 8.300 nan 0.000 0.540 61 P HA -0.222 nan 4.420 nan 0.000 0.218 61 P C 1.411 178.812 177.300 0.169 0.000 1.152 61 P CA 1.734 64.921 63.100 0.144 0.000 0.857 61 P CB 0.251 31.994 31.700 0.072 0.000 0.787 62 G N -2.028 106.901 108.800 0.214 0.000 3.284 62 G HA2 0.060 4.020 3.960 -0.000 0.000 0.236 62 G HA3 0.060 4.020 3.960 -0.000 0.000 0.236 62 G C -0.072 174.987 174.900 0.264 0.000 1.158 62 G CA -0.483 44.727 45.100 0.185 0.000 0.774 62 G HN 0.164 nan 8.290 nan 0.000 0.545 63 F N 3.078 123.168 119.950 0.233 0.000 2.590 63 F HA 0.231 4.758 4.527 -0.000 0.000 0.389 63 F C -1.416 174.540 175.800 0.259 0.000 1.049 63 F CA -2.176 55.965 58.000 0.236 0.000 1.199 63 F CB 1.035 40.185 39.000 0.251 0.000 1.058 63 F HN -0.029 nan 8.300 nan 0.000 0.556 64 P HA 0.297 nan 4.420 nan 0.000 0.225 64 P C -0.122 177.142 177.300 -0.061 0.000 1.813 64 P CA 0.351 63.411 63.100 -0.066 0.000 1.013 64 P CB 0.124 31.711 31.700 -0.188 0.000 1.961 65 G N 0.154 109.185 108.800 0.385 0.000 2.360 65 G HA2 0.041 4.001 3.960 -0.000 0.000 0.276 65 G HA3 0.041 4.001 3.960 -0.000 0.000 0.276 65 G C 0.307 175.454 174.900 0.411 0.000 1.256 65 G CA -0.344 44.926 45.100 0.282 0.000 0.890 65 G HN -0.073 nan 8.290 nan 0.000 0.486 66 S N -0.275 115.569 115.700 0.240 0.000 2.561 66 S HA 0.211 4.681 4.470 -0.000 0.000 0.225 66 S C 1.114 175.777 174.600 0.106 0.000 0.977 66 S CA 0.158 58.459 58.200 0.169 0.000 0.926 66 S CB -0.240 63.014 63.200 0.089 0.000 0.769 66 S HN 0.348 nan 8.310 nan 0.000 0.533 67 I N 2.146 122.642 120.570 -0.124 0.000 2.363 67 I HA 0.095 4.265 4.170 -0.000 0.000 0.292 67 I C 0.874 176.938 176.117 -0.087 0.000 1.075 67 I CA -0.146 60.946 61.300 -0.348 0.000 1.333 67 I CB 1.099 38.485 38.000 -1.024 0.000 1.415 67 I HN 0.005 nan 8.210 nan 0.000 0.502 68 V N 5.869 125.854 119.914 0.117 0.000 2.685 68 V HA 0.309 4.429 4.120 -0.000 0.000 0.244 68 V C 1.042 177.297 176.094 0.268 0.000 1.054 68 V CA 1.079 63.526 62.300 0.245 0.000 1.076 68 V CB 0.151 32.120 31.823 0.243 0.000 0.725 68 V HN 0.966 nan 8.190 nan 0.000 0.467 69 G N -1.257 107.610 108.800 0.111 0.000 2.341 69 G HA2 0.664 4.624 3.960 -0.000 0.000 0.299 69 G HA3 0.664 4.624 3.960 -0.000 0.000 0.299 69 G C -1.920 172.905 174.900 -0.126 0.000 1.274 69 G CA 0.091 45.092 45.100 -0.166 0.000 0.853 69 G HN 0.628 nan 8.290 nan 0.000 0.493 70 A N -0.480 122.195 122.820 -0.241 0.000 2.488 70 A HA 0.773 5.093 4.320 -0.000 0.000 0.298 70 A C -1.175 176.313 177.584 -0.161 0.000 1.044 70 A CA -0.455 51.523 52.037 -0.099 0.000 0.693 70 A CB 1.361 20.418 19.000 0.096 0.000 1.272 70 A HN 1.121 nan 8.150 nan 0.000 0.402 71 H N 1.467 120.329 119.070 -0.346 0.000 2.458 71 H HA 0.654 5.210 4.556 -0.000 0.000 0.330 71 H C -1.713 173.425 175.328 -0.317 0.000 1.111 71 H CA -0.287 55.607 56.048 -0.255 0.000 1.245 71 H CB 0.856 30.487 29.762 -0.219 0.000 1.456 71 H HN 0.623 nan 8.280 nan 0.000 0.488 72 Y N 1.786 121.940 120.300 -0.242 0.000 2.442 72 Y HA 0.176 4.726 4.550 -0.000 0.000 0.344 72 Y C 0.269 176.048 175.900 -0.203 0.000 0.976 72 Y CA -0.781 57.225 58.100 -0.157 0.000 1.040 72 Y CB 2.266 40.778 38.460 0.087 0.000 1.228 72 Y HN 0.612 nan 8.280 nan 0.000 0.451 73 T N 0.405 114.967 114.554 0.013 0.000 2.902 73 T HA 0.584 4.934 4.350 -0.000 0.000 0.283 73 T C -0.966 173.823 174.700 0.149 0.000 1.009 73 T CA -0.794 61.336 62.100 0.050 0.000 1.051 73 T CB 1.390 70.257 68.868 -0.002 0.000 0.999 73 T HN 0.448 nan 8.240 nan 0.000 0.474 74 L N 2.497 123.740 121.223 0.033 0.000 2.276 74 L HA 0.398 4.738 4.340 -0.000 0.000 0.286 74 L C 0.117 176.912 176.870 -0.124 0.000 1.061 74 L CA 0.065 54.797 54.840 -0.181 0.000 0.807 74 L CB 0.764 42.659 42.059 -0.274 0.000 1.177 74 L HN 0.776 nan 8.230 nan 0.000 0.429 75 Q N 1.931 121.646 119.800 -0.142 0.000 2.212 75 Q HA 0.270 4.610 4.340 -0.000 0.000 0.238 75 Q C 1.262 177.202 176.000 -0.100 0.000 0.955 75 Q CA 0.138 55.889 55.803 -0.087 0.000 0.906 75 Q CB 1.295 29.996 28.738 -0.062 0.000 1.215 75 Q HN 0.847 nan 8.270 nan 0.000 0.478 76 S N 0.924 116.584 115.700 -0.067 0.000 2.402 76 S HA -0.242 4.228 4.470 -0.000 0.000 0.233 76 S C 1.240 175.796 174.600 -0.073 0.000 1.030 76 S CA 1.821 59.983 58.200 -0.063 0.000 1.003 76 S CB -0.487 62.688 63.200 -0.042 0.000 0.813 76 S HN 0.811 nan 8.310 nan 0.000 0.477 77 N N 1.668 120.324 118.700 -0.075 0.000 2.521 77 N HA 0.210 4.950 4.740 -0.000 0.000 0.188 77 N C 1.246 176.693 175.510 -0.104 0.000 1.146 77 N CA 0.892 53.897 53.050 -0.076 0.000 0.893 77 N CB -0.669 37.780 38.487 -0.063 0.000 0.975 77 N HN 0.649 nan 8.380 nan 0.000 0.451 78 G N -1.217 107.498 108.800 -0.142 0.000 2.194 78 G HA2 -0.261 3.698 3.960 -0.000 0.000 0.236 78 G HA3 -0.261 3.698 3.960 -0.000 0.000 0.236 78 G C -0.332 174.408 174.900 -0.268 0.000 0.987 78 G CA -0.043 44.943 45.100 -0.191 0.000 0.635 78 G HN 0.476 nan 8.290 nan 0.000 0.520 79 N N -0.150 118.417 118.700 -0.222 0.000 2.495 79 N HA 0.589 5.329 4.740 -0.000 0.000 0.280 79 N C -0.395 174.962 175.510 -0.254 0.000 1.168 79 N CA -0.222 52.696 53.050 -0.220 0.000 0.978 79 N CB 0.687 39.106 38.487 -0.113 0.000 1.191 79 N HN 0.236 nan 8.380 nan 0.000 0.497 80 Y N 0.130 120.351 120.300 -0.132 0.000 2.354 80 Y HA 0.307 4.857 4.550 -0.000 0.000 0.322 80 Y C 0.844 176.779 175.900 0.058 0.000 1.253 80 Y CA -0.138 57.935 58.100 -0.046 0.000 1.272 80 Y CB 1.290 39.670 38.460 -0.133 0.000 1.255 80 Y HN 0.152 nan 8.280 nan 0.000 0.500 81 K N 2.625 123.235 120.400 0.351 0.000 2.507 81 K HA 0.233 4.552 4.320 -0.000 0.000 0.251 81 K C -1.576 175.222 176.600 0.329 0.000 0.943 81 K CA -0.799 55.654 56.287 0.278 0.000 0.794 81 K CB 1.091 33.666 32.500 0.126 0.000 1.188 81 K HN 0.546 nan 8.250 nan 0.000 0.428 82 F N 3.700 123.745 119.950 0.157 0.000 2.572 82 F HA -0.004 4.523 4.527 -0.000 0.000 0.370 82 F C 0.902 176.602 175.800 -0.167 0.000 1.103 82 F CA 0.548 58.463 58.000 -0.142 0.000 1.286 82 F CB 0.781 39.725 39.000 -0.092 0.000 1.105 82 F HN 0.784 nan 8.300 nan 0.000 0.583 83 D N 2.367 122.174 120.400 -0.989 0.000 3.032 83 D HA 0.121 4.761 4.640 -0.000 0.000 0.280 83 D C -0.602 174.981 176.300 -1.194 0.000 1.381 83 D CA 0.945 54.474 54.000 -0.786 0.000 1.068 83 D CB 0.229 40.728 40.800 -0.500 0.000 1.148 83 D HN 0.683 nan 8.370 nan 0.000 0.401 84 Q N -1.166 117.877 119.800 -1.261 0.000 2.756 84 Q HA 0.322 4.662 4.340 -0.000 0.000 0.295 84 Q C -1.046 174.728 176.000 -0.376 0.000 0.903 84 Q CA -1.014 54.271 55.803 -0.863 0.000 0.768 84 Q CB 1.063 29.598 28.738 -0.339 0.000 1.472 84 Q HN -0.013 nan 8.270 nan 0.000 0.416 85 M N 1.269 120.856 119.600 -0.021 0.000 2.247 85 M HA 0.451 4.930 4.480 -0.000 0.000 0.326 85 M C -0.563 175.617 176.300 -0.199 0.000 1.134 85 M CA -0.253 55.063 55.300 0.027 0.000 1.136 85 M CB 0.254 32.919 32.600 0.110 0.000 1.454 85 M HN 0.624 nan 8.290 nan 0.000 0.467 86 L N 3.474 124.544 121.223 -0.255 0.000 2.305 86 L HA 0.572 4.912 4.340 -0.000 0.000 0.284 86 L C -0.460 176.345 176.870 -0.108 0.000 1.013 86 L CA -0.279 54.228 54.840 -0.555 0.000 0.819 86 L CB 0.968 42.727 42.059 -0.501 0.000 1.227 86 L HN 0.558 nan 8.230 nan 0.000 0.417 87 L N 0.883 122.179 121.223 0.123 0.000 2.216 87 L HA 0.692 5.031 4.340 -0.000 0.000 0.260 87 L C 0.486 177.534 176.870 0.297 0.000 1.036 87 L CA -0.904 54.058 54.840 0.203 0.000 0.914 87 L CB 1.895 44.060 42.059 0.177 0.000 1.501 87 L HN 0.527 nan 8.230 nan 0.000 0.485 88 T N -2.674 112.016 114.554 0.226 0.000 2.874 88 T HA 0.422 4.772 4.350 -0.000 0.000 0.281 88 T C 1.061 175.857 174.700 0.160 0.000 0.994 88 T CA -0.079 62.151 62.100 0.216 0.000 1.015 88 T CB 1.552 70.554 68.868 0.222 0.000 1.028 88 T HN 0.639 nan 8.240 nan 0.000 0.523 89 A N 1.105 123.997 122.820 0.120 0.000 1.903 89 A HA -0.083 4.237 4.320 -0.000 0.000 0.219 89 A C 1.275 178.901 177.584 0.070 0.000 1.191 89 A CA 1.709 53.786 52.037 0.067 0.000 0.638 89 A CB -0.954 18.078 19.000 0.054 0.000 0.823 89 A HN 0.979 nan 8.150 nan 0.000 0.451 90 Q N -1.713 118.139 119.800 0.086 0.000 2.416 90 Q HA 0.526 4.866 4.340 -0.000 0.000 0.279 90 Q C -1.021 175.027 176.000 0.080 0.000 1.101 90 Q CA -0.992 54.857 55.803 0.077 0.000 0.830 90 Q CB 0.785 29.571 28.738 0.079 0.000 1.402 90 Q HN 0.194 nan 8.270 nan 0.000 0.445 91 N N 1.239 119.980 118.700 0.069 0.000 2.439 91 N HA 0.136 4.876 4.740 -0.000 0.000 0.243 91 N C 0.292 175.842 175.510 0.067 0.000 1.088 91 N CA -0.083 53.004 53.050 0.062 0.000 0.940 91 N CB 0.364 38.882 38.487 0.051 0.000 1.180 91 N HN 0.792 nan 8.380 nan 0.000 0.505 92 L N 4.495 125.749 121.223 0.052 0.000 2.043 92 L HA -0.100 4.240 4.340 -0.000 0.000 0.212 92 L C -0.657 176.286 176.870 0.122 0.000 1.075 92 L CA 1.255 56.143 54.840 0.080 0.000 0.752 92 L CB -1.079 40.911 42.059 -0.115 0.000 0.891 92 L HN 0.517 nan 8.230 nan 0.000 0.432 93 P HA -0.158 nan 4.420 nan 0.000 0.226 93 P C 1.100 178.412 177.300 0.020 0.000 1.146 93 P CA 1.403 64.522 63.100 0.031 0.000 0.773 93 P CB -0.021 31.687 31.700 0.012 0.000 0.772 94 A N -1.491 121.345 122.820 0.026 0.000 2.119 94 A HA 0.021 4.341 4.320 -0.000 0.000 0.216 94 A C 2.034 179.590 177.584 -0.048 0.000 1.152 94 A CA 1.454 53.489 52.037 -0.004 0.000 0.708 94 A CB -0.518 18.485 19.000 0.005 0.000 0.805 94 A HN 0.118 nan 8.150 nan 0.000 0.460 95 S N -2.570 113.092 115.700 -0.065 0.000 2.589 95 S HA 0.359 4.829 4.470 -0.000 0.000 0.235 95 S C -0.547 173.730 174.600 -0.538 0.000 1.051 95 S CA -0.233 57.784 58.200 -0.305 0.000 0.978 95 S CB 0.169 63.138 63.200 -0.386 0.000 0.929 95 S HN 0.502 nan 8.310 nan 0.000 0.523 96 Y N 0.752 121.037 120.300 -0.024 0.000 2.545 96 Y HA 0.509 5.059 4.550 -0.000 0.000 0.348 96 Y C 0.640 176.508 175.900 -0.053 0.000 1.002 96 Y CA -1.123 56.968 58.100 -0.015 0.000 1.039 96 Y CB 1.061 39.516 38.460 -0.007 0.000 1.271 96 Y HN -0.168 nan 8.280 nan 0.000 0.467 97 N N -0.046 118.719 118.700 0.108 0.000 2.414 97 N HA 0.080 4.820 4.740 -0.000 0.000 0.177 97 N C -1.100 174.194 175.510 -0.361 0.000 1.062 97 N CA 0.555 53.523 53.050 -0.136 0.000 0.890 97 N CB 0.446 38.847 38.487 -0.143 0.000 1.070 97 N HN 0.520 nan 8.380 nan 0.000 0.454 98 Y N -0.935 119.431 120.300 0.110 0.000 2.536 98 Y HA 0.550 5.100 4.550 -0.000 0.000 0.347 98 Y C -0.026 175.986 175.900 0.187 0.000 1.000 98 Y CA -1.149 57.032 58.100 0.135 0.000 1.051 98 Y CB 2.090 40.636 38.460 0.143 0.000 1.259 98 Y HN -0.119 nan 8.280 nan 0.000 0.468 99 C N 2.266 121.761 119.300 0.324 0.000 3.285 99 C HA 0.867 5.327 4.460 -0.000 0.000 0.325 99 C C -1.722 173.246 174.990 -0.037 0.000 1.304 99 C CA -0.729 58.367 59.018 0.131 0.000 1.319 99 C CB 1.947 29.660 27.740 -0.044 0.000 1.640 99 C HN 1.027 nan 8.230 nan 0.000 0.477 100 R N 2.374 122.826 120.500 -0.080 0.000 2.584 100 R HA 0.666 5.006 4.340 -0.000 0.000 0.276 100 R C -1.793 174.572 176.300 0.108 0.000 1.046 100 R CA -0.617 55.403 56.100 -0.133 0.000 0.906 100 R CB 1.602 31.571 30.300 -0.551 0.000 1.215 100 R HN 0.813 nan 8.270 nan 0.000 0.449 101 L N 4.777 126.091 121.223 0.151 0.000 2.319 101 L HA 0.234 4.574 4.340 -0.000 0.000 0.280 101 L C 0.049 176.946 176.870 0.045 0.000 1.099 101 L CA 0.451 55.347 54.840 0.094 0.000 0.828 101 L CB 1.607 43.729 42.059 0.104 0.000 1.150 101 L HN 0.659 nan 8.230 nan 0.000 0.442 102 V N 2.627 122.525 119.914 -0.028 0.000 2.581 102 V HA 0.264 4.384 4.120 -0.000 0.000 0.240 102 V C 0.562 176.715 176.094 0.097 0.000 1.054 102 V CA 1.135 63.494 62.300 0.100 0.000 1.076 102 V CB 0.201 32.079 31.823 0.092 0.000 0.748 102 V HN 0.943 nan 8.190 nan 0.000 0.474 103 S N -0.253 115.406 115.700 -0.068 0.000 2.578 103 S HA 0.749 5.219 4.470 -0.000 0.000 0.272 103 S C -0.916 173.588 174.600 -0.160 0.000 1.145 103 S CA -0.885 57.261 58.200 -0.090 0.000 0.835 103 S CB 2.802 65.926 63.200 -0.127 0.000 1.104 103 S HN 0.493 nan 8.310 nan 0.000 0.458 104 R N 0.167 120.589 120.500 -0.130 0.000 2.634 104 R HA 0.716 5.056 4.340 -0.000 0.000 0.263 104 R C -1.865 174.345 176.300 -0.151 0.000 1.060 104 R CA 0.062 56.075 56.100 -0.145 0.000 0.898 104 R CB 1.616 31.839 30.300 -0.128 0.000 1.253 104 R HN 1.515 nan 8.270 nan 0.000 0.461 105 S N 3.303 118.899 115.700 -0.172 0.000 2.537 105 S HA 0.711 5.180 4.470 -0.000 0.000 0.271 105 S C -1.662 172.795 174.600 -0.238 0.000 1.148 105 S CA -0.821 57.238 58.200 -0.235 0.000 0.868 105 S CB 1.656 64.691 63.200 -0.274 0.000 1.115 105 S HN 0.457 nan 8.310 nan 0.000 0.461 106 L N 2.097 123.132 121.223 -0.314 0.000 2.422 106 L HA 0.773 5.113 4.340 -0.000 0.000 0.264 106 L C -0.119 176.604 176.870 -0.246 0.000 0.984 106 L CA -0.444 54.227 54.840 -0.282 0.000 0.819 106 L CB 2.784 44.561 42.059 -0.470 0.000 1.330 106 L HN 1.020 nan 8.230 nan 0.000 0.410 107 T N -0.475 113.998 114.554 -0.134 0.000 2.888 107 T HA 0.849 5.199 4.350 -0.000 0.000 0.284 107 T C -0.776 173.919 174.700 -0.008 0.000 1.017 107 T CA -0.766 61.283 62.100 -0.086 0.000 1.022 107 T CB 1.824 70.653 68.868 -0.065 0.000 1.013 107 T HN 0.226 nan 8.240 nan 0.000 0.465 108 V N 3.920 123.848 119.914 0.024 0.000 2.483 108 V HA 0.805 4.925 4.120 -0.000 0.000 0.297 108 V C -0.165 175.948 176.094 0.031 0.000 1.027 108 V CA -0.883 61.452 62.300 0.058 0.000 0.855 108 V CB 1.325 33.228 31.823 0.132 0.000 0.995 108 V HN 1.201 nan 8.190 nan 0.000 0.424 109 R N 2.151 122.653 120.500 0.003 0.000 2.690 109 R HA 0.621 4.961 4.340 -0.000 0.000 0.269 109 R C -1.169 175.109 176.300 -0.036 0.000 1.037 109 R CA -0.587 55.509 56.100 -0.006 0.000 0.877 109 R CB 1.708 32.013 30.300 0.007 0.000 1.255 109 R HN 0.467 nan 8.270 nan 0.000 0.467 110 S N -0.086 115.591 115.700 -0.039 0.000 2.565 110 S HA 0.195 4.664 4.470 -0.000 0.000 0.276 110 S C 0.682 175.263 174.600 -0.031 0.000 1.326 110 S CA 0.113 58.280 58.200 -0.055 0.000 1.045 110 S CB 0.851 64.020 63.200 -0.052 0.000 0.918 110 S HN 0.672 nan 8.310 nan 0.000 0.505 111 S N 2.224 117.904 115.700 -0.033 0.000 2.666 111 S HA 0.328 4.798 4.470 -0.000 0.000 0.239 111 S C 0.324 174.913 174.600 -0.017 0.000 1.031 111 S CA -0.381 57.807 58.200 -0.020 0.000 1.015 111 S CB 0.447 63.636 63.200 -0.018 0.000 0.981 111 S HN 0.535 nan 8.310 nan 0.000 0.547 112 T N 1.483 116.024 114.554 -0.022 0.000 2.883 112 T HA 0.684 5.034 4.350 -0.000 0.000 0.301 112 T C -2.005 172.687 174.700 -0.014 0.000 1.158 112 T CA -0.605 61.485 62.100 -0.016 0.000 1.007 112 T CB 1.573 70.431 68.868 -0.016 0.000 1.186 112 T HN 0.263 nan 8.240 nan 0.000 0.499 113 L N 3.892 125.110 121.223 -0.008 0.000 2.404 113 L HA 0.545 4.885 4.340 -0.000 0.000 0.272 113 L C -1.836 175.032 176.870 -0.003 0.000 0.980 113 L CA -1.375 53.462 54.840 -0.005 0.000 0.836 113 L CB 1.917 43.974 42.059 -0.003 0.000 1.238 113 L HN 0.520 nan 8.230 nan 0.000 0.408 121 N N 2.602 121.309 118.700 0.013 0.000 3.049 121 N HA 0.605 5.345 4.740 -0.000 0.000 0.241 121 N C -0.456 175.064 175.510 0.017 0.000 1.323 121 N CA 0.254 53.311 53.050 0.011 0.000 0.824 121 N CB 1.338 39.829 38.487 0.007 0.000 1.557 121 N HN 1.527 nan 8.380 nan 0.000 0.612 122 G N 0.695 109.508 108.800 0.021 0.000 2.539 122 G HA2 0.292 4.252 3.960 -0.000 0.000 0.686 122 G HA3 0.292 4.252 3.960 -0.000 0.000 0.686 122 G C -0.915 174.021 174.900 0.059 0.000 1.258 122 G CA -0.340 44.780 45.100 0.033 0.000 0.846 122 G HN 1.426 nan 8.290 nan 0.000 0.647 123 T N -1.966 112.638 114.554 0.085 0.000 2.883 123 T HA 0.825 5.175 4.350 -0.000 0.000 0.296 123 T C -0.397 174.487 174.700 0.306 0.000 1.117 123 T CA -0.825 61.373 62.100 0.164 0.000 1.006 123 T CB 2.230 71.204 68.868 0.175 0.000 1.191 123 T HN 1.104 nan 8.240 nan 0.000 0.508 124 I N 1.456 122.225 120.570 0.332 0.000 2.608 124 I HA 0.499 4.669 4.170 -0.000 0.000 0.295 124 I C -0.993 175.249 176.117 0.209 0.000 1.049 124 I CA -0.996 60.518 61.300 0.357 0.000 1.063 124 I CB 2.326 40.463 38.000 0.228 0.000 1.248 124 I HN 0.563 nan 8.210 nan 0.000 0.424 125 N N 3.793 122.500 118.700 0.011 0.000 2.284 125 N HA 0.820 5.560 4.740 -0.000 0.000 0.300 125 N C -1.281 174.162 175.510 -0.112 0.000 1.047 125 N CA -0.432 52.460 53.050 -0.263 0.000 0.821 125 N CB 2.336 40.309 38.487 -0.857 0.000 1.337 125 N HN 0.721 nan 8.380 nan 0.000 0.482 126 A N 0.927 123.706 122.820 -0.068 0.000 2.515 126 A HA 0.819 5.139 4.320 -0.000 0.000 0.298 126 A C -1.352 176.211 177.584 -0.034 0.000 1.059 126 A CA -0.671 51.355 52.037 -0.018 0.000 0.698 126 A CB 1.508 20.531 19.000 0.039 0.000 1.289 126 A HN 0.445 nan 8.150 nan 0.000 0.404 127 V N 0.582 120.486 119.914 -0.016 0.000 3.120 127 V HA 0.760 4.880 4.120 -0.000 0.000 0.303 127 V C -1.030 175.083 176.094 0.031 0.000 1.238 127 V CA -0.200 62.094 62.300 -0.010 0.000 1.008 127 V CB 2.573 34.380 31.823 -0.026 0.000 1.064 127 V HN 1.039 nan 8.190 nan 0.000 0.434 128 T N 5.982 120.562 114.554 0.043 0.000 2.772 128 T HA 0.529 4.879 4.350 -0.000 0.000 0.288 128 T C -1.034 173.753 174.700 0.144 0.000 0.994 128 T CA 0.031 62.177 62.100 0.076 0.000 0.951 128 T CB 0.693 69.577 68.868 0.026 0.000 0.933 128 T HN 0.554 nan 8.240 nan 0.000 0.447 129 F N 2.760 122.702 119.950 -0.014 0.000 2.420 129 F HA 0.337 4.864 4.527 -0.000 0.000 0.342 129 F C 1.129 176.930 175.800 0.001 0.000 1.113 129 F CA -0.966 57.028 58.000 -0.010 0.000 1.059 129 F CB 1.431 40.425 39.000 -0.009 0.000 1.128 129 F HN 0.499 nan 8.300 nan 0.000 0.475 130 Q N 3.921 123.453 119.800 -0.446 0.000 2.387 130 Q HA 0.190 4.530 4.340 -0.000 0.000 0.211 130 Q C 0.562 176.160 176.000 -0.670 0.000 0.952 130 Q CA 0.242 55.779 55.803 -0.444 0.000 0.957 130 Q CB 0.142 28.708 28.738 -0.286 0.000 1.002 130 Q HN 0.895 nan 8.270 nan 0.000 0.502 131 G N -0.047 107.998 108.800 -1.258 0.000 3.209 131 G HA2 0.453 4.412 3.960 -0.000 0.000 0.236 131 G HA3 0.453 4.412 3.960 -0.000 0.000 0.236 131 G C -0.666 174.167 174.900 -0.113 0.000 1.329 131 G CA -0.505 44.166 45.100 -0.716 0.000 1.015 131 G HN 0.206 nan 8.290 nan 0.000 0.571 132 S N -1.023 114.764 115.700 0.144 0.000 2.722 132 S HA 0.405 4.875 4.470 -0.000 0.000 0.292 132 S C 1.256 176.062 174.600 0.343 0.000 1.135 132 S CA -0.508 57.840 58.200 0.246 0.000 1.003 132 S CB 1.642 64.955 63.200 0.187 0.000 1.067 132 S HN 0.690 nan 8.310 nan 0.000 0.546 133 L N 1.897 123.276 121.223 0.260 0.000 1.991 133 L HA -0.177 4.163 4.340 -0.000 0.000 0.221 133 L C 2.509 179.448 176.870 0.115 0.000 1.079 133 L CA 2.841 57.759 54.840 0.130 0.000 0.778 133 L CB -1.358 40.729 42.059 0.047 0.000 0.893 133 L HN 1.015 nan 8.230 nan 0.000 0.437 134 S N -1.630 114.158 115.700 0.147 0.000 2.595 134 S HA -0.107 4.363 4.470 -0.000 0.000 0.235 134 S C 1.459 176.146 174.600 0.145 0.000 0.974 134 S CA 0.946 59.229 58.200 0.138 0.000 0.942 134 S CB -0.734 62.530 63.200 0.106 0.000 0.766 134 S HN 0.728 nan 8.310 nan 0.000 0.536 135 E N 0.476 120.811 120.200 0.226 0.000 2.442 135 E HA 0.218 4.568 4.350 -0.000 0.000 0.195 135 E C -0.040 176.692 176.600 0.219 0.000 1.030 135 E CA -0.205 56.363 56.400 0.280 0.000 0.869 135 E CB -0.037 29.893 29.700 0.383 0.000 0.857 135 E HN 0.538 nan 8.360 nan 0.000 0.505 136 L N 2.103 123.300 121.223 -0.044 0.000 2.490 136 L HA -0.029 4.311 4.340 -0.000 0.000 0.274 136 L C 1.870 178.649 176.870 -0.152 0.000 1.201 136 L CA 0.223 54.810 54.840 -0.422 0.000 0.869 136 L CB 0.675 42.438 42.059 -0.492 0.000 1.123 136 L HN 0.147 nan 8.230 nan 0.000 0.484 137 T N -2.350 112.118 114.554 -0.143 0.000 3.054 137 T HA 0.014 4.364 4.350 -0.000 0.000 0.259 137 T C 0.318 174.984 174.700 -0.057 0.000 1.092 137 T CA 0.163 62.231 62.100 -0.054 0.000 1.121 137 T CB 0.152 69.007 68.868 -0.023 0.000 0.912 137 T HN 0.548 nan 8.240 nan 0.000 0.489 138 D N 0.684 121.029 120.400 -0.090 0.000 2.891 138 D HA 0.277 4.917 4.640 -0.000 0.000 0.224 138 D C 0.116 176.383 176.300 -0.056 0.000 1.321 138 D CA -0.661 53.307 54.000 -0.053 0.000 0.929 138 D CB 2.196 42.968 40.800 -0.046 0.000 1.551 138 D HN 0.089 nan 8.370 nan 0.000 0.574 139 V N 1.475 121.397 119.914 0.013 0.000 3.214 139 V HA 0.334 4.454 4.120 -0.000 0.000 0.330 139 V C 0.691 176.869 176.094 0.140 0.000 1.403 139 V CA -0.043 62.292 62.300 0.058 0.000 1.143 139 V CB -0.504 31.406 31.823 0.145 0.000 1.098 139 V HN 0.453 nan 8.190 nan 0.000 0.463 140 S N -0.790 114.965 115.700 0.092 0.000 2.603 140 S HA 0.315 4.785 4.470 -0.000 0.000 0.268 140 S C 0.833 175.500 174.600 0.112 0.000 1.317 140 S CA 0.140 58.407 58.200 0.111 0.000 1.012 140 S CB 0.843 64.078 63.200 0.059 0.000 0.926 140 S HN 0.459 nan 8.310 nan 0.000 0.539 141 Y N 2.613 122.930 120.300 0.028 0.000 2.069 141 Y HA -0.279 4.271 4.550 -0.000 0.000 0.278 141 Y C 2.086 177.992 175.900 0.011 0.000 1.175 141 Y CA 2.613 60.724 58.100 0.018 0.000 1.134 141 Y CB -0.487 37.977 38.460 0.008 0.000 0.965 141 Y HN 0.720 nan 8.280 nan 0.000 0.498 142 N N -0.264 118.501 118.700 0.108 0.000 2.300 142 N HA -0.059 4.681 4.740 -0.000 0.000 0.179 142 N C 2.013 177.497 175.510 -0.043 0.000 1.016 142 N CA 1.128 54.181 53.050 0.006 0.000 0.876 142 N CB -0.789 37.756 38.487 0.095 0.000 0.979 142 N HN 0.542 nan 8.380 nan 0.000 0.432 143 G N 1.697 110.485 108.800 -0.020 0.000 2.448 143 G HA2 -0.142 3.817 3.960 -0.000 0.000 0.219 143 G HA3 -0.142 3.817 3.960 -0.000 0.000 0.219 143 G C 1.649 176.508 174.900 -0.068 0.000 1.127 143 G CA 0.181 45.260 45.100 -0.035 0.000 0.766 143 G HN 0.207 nan 8.290 nan 0.000 0.552 144 L N 0.178 121.344 121.223 -0.095 0.000 2.127 144 L HA -0.107 4.233 4.340 -0.000 0.000 0.211 144 L C 2.760 179.568 176.870 -0.103 0.000 1.089 144 L CA 0.659 55.428 54.840 -0.117 0.000 0.757 144 L CB -0.405 41.570 42.059 -0.140 0.000 0.899 144 L HN 0.188 nan 8.230 nan 0.000 0.434 145 M N -1.067 118.468 119.600 -0.109 0.000 2.623 145 M HA -0.134 4.346 4.480 -0.000 0.000 0.258 145 M C 1.786 178.055 176.300 -0.051 0.000 1.067 145 M CA 1.187 56.436 55.300 -0.085 0.000 1.068 145 M CB -1.056 31.492 32.600 -0.086 0.000 1.409 145 M HN 0.104 nan 8.290 nan 0.000 0.504 146 S N -0.502 115.172 115.700 -0.045 0.000 2.559 146 S HA 0.319 4.789 4.470 -0.000 0.000 0.226 146 S C 1.802 176.399 174.600 -0.004 0.000 1.000 146 S CA 0.320 58.507 58.200 -0.022 0.000 0.948 146 S CB 0.276 63.464 63.200 -0.019 0.000 0.870 146 S HN 0.501 nan 8.310 nan 0.000 0.497 147 A N 1.458 124.266 122.820 -0.019 0.000 2.084 147 A HA -0.009 4.311 4.320 -0.000 0.000 0.221 147 A C 1.350 179.031 177.584 0.161 0.000 1.161 147 A CA 1.623 53.672 52.037 0.020 0.000 0.653 147 A CB -0.210 18.745 19.000 -0.074 0.000 0.802 147 A HN 0.416 nan 8.150 nan 0.000 0.457 148 T N -4.135 110.473 114.554 0.090 0.000 2.883 148 T HA 0.563 4.913 4.350 -0.000 0.000 0.301 148 T C 0.383 175.098 174.700 0.025 0.000 1.158 148 T CA 0.096 62.242 62.100 0.076 0.000 1.007 148 T CB 1.708 70.615 68.868 0.064 0.000 1.186 148 T HN 0.470 nan 8.240 nan 0.000 0.499 149 A N 2.693 125.520 122.820 0.012 0.000 2.195 149 A HA 0.300 4.620 4.320 -0.000 0.000 0.210 149 A C 0.679 178.251 177.584 -0.020 0.000 1.165 149 A CA -0.050 51.984 52.037 -0.005 0.000 0.806 149 A CB -0.242 18.756 19.000 -0.004 0.000 0.847 149 A HN 0.739 nan 8.150 nan 0.000 0.482 150 N N 0.850 119.535 118.700 -0.025 0.000 2.431 150 N HA 0.096 4.836 4.740 -0.000 0.000 0.265 150 N C 0.595 176.070 175.510 -0.058 0.000 1.184 150 N CA -0.189 52.835 53.050 -0.044 0.000 0.943 150 N CB 1.155 39.612 38.487 -0.050 0.000 1.080 150 N HN 0.235 nan 8.380 nan 0.000 0.477 151 I N 2.330 122.862 120.570 -0.064 0.000 2.454 151 I HA -0.176 3.994 4.170 -0.000 0.000 0.254 151 I C 1.139 177.186 176.117 -0.117 0.000 1.156 151 I CA 1.301 62.554 61.300 -0.077 0.000 1.433 151 I CB -0.106 37.853 38.000 -0.068 0.000 1.082 151 I HN 0.408 nan 8.210 nan 0.000 0.432 152 N N 0.588 119.205 118.700 -0.139 0.000 2.383 152 N HA -0.014 4.726 4.740 -0.000 0.000 0.192 152 N C 0.124 175.508 175.510 -0.210 0.000 1.141 152 N CA 0.454 53.376 53.050 -0.213 0.000 0.851 152 N CB 0.022 38.376 38.487 -0.222 0.000 0.976 152 N HN 0.446 nan 8.380 nan 0.000 0.465 153 D N 0.327 120.645 120.400 -0.137 0.000 2.535 153 D HA 0.085 4.725 4.640 -0.000 0.000 0.229 153 D C 0.085 176.340 176.300 -0.075 0.000 1.238 153 D CA 0.171 54.110 54.000 -0.102 0.000 0.824 153 D CB 0.873 41.637 40.800 -0.060 0.000 1.045 153 D HN 0.385 nan 8.370 nan 0.000 0.500 154 K N -0.215 120.130 120.400 -0.092 0.000 2.532 154 K HA 0.687 5.007 4.320 -0.000 0.000 0.265 154 K C -1.500 175.051 176.600 -0.082 0.000 0.948 154 K CA -0.906 55.338 56.287 -0.072 0.000 0.842 154 K CB 2.651 35.115 32.500 -0.060 0.000 1.392 154 K HN -0.149 nan 8.250 nan 0.000 0.436 155 I N 0.452 120.985 120.570 -0.063 0.000 2.680 155 I HA 0.499 4.669 4.170 -0.000 0.000 0.291 155 I C -1.330 174.764 176.117 -0.038 0.000 1.244 155 I CA 0.046 61.319 61.300 -0.045 0.000 1.042 155 I CB 2.419 40.404 38.000 -0.024 0.000 1.277 155 I HN 0.882 nan 8.210 nan 0.000 0.423 156 G N 4.044 112.831 108.800 -0.023 0.000 2.495 156 G HA2 0.420 4.379 3.960 -0.000 0.000 0.318 156 G HA3 0.420 4.379 3.960 -0.000 0.000 0.318 156 G C -0.374 174.548 174.900 0.038 0.000 1.257 156 G CA -0.513 44.575 45.100 -0.020 0.000 0.962 156 G HN 0.673 nan 8.290 nan 0.000 0.483 157 N N -0.675 118.077 118.700 0.087 0.000 2.721 157 N HA -0.167 4.573 4.740 -0.000 0.000 0.249 157 N C 0.343 175.927 175.510 0.122 0.000 1.072 157 N CA 0.654 53.798 53.050 0.157 0.000 0.710 157 N CB -0.978 37.588 38.487 0.131 0.000 0.993 157 N HN 0.388 nan 8.380 nan 0.000 0.547 158 V N 1.223 121.206 119.914 0.116 0.000 2.637 158 V HA 0.090 4.209 4.120 -0.000 0.000 0.296 158 V C 1.289 177.448 176.094 0.108 0.000 1.046 158 V CA -0.473 61.887 62.300 0.100 0.000 1.066 158 V CB 1.033 32.914 31.823 0.096 0.000 0.968 158 V HN 0.137 nan 8.190 nan 0.000 0.483 159 L N 5.677 126.951 121.223 0.085 0.000 2.455 159 L HA 0.062 4.402 4.340 -0.000 0.000 0.272 159 L C 1.606 178.518 176.870 0.070 0.000 1.174 159 L CA -0.041 54.843 54.840 0.073 0.000 0.869 159 L CB 0.813 42.905 42.059 0.055 0.000 1.130 159 L HN 0.749 nan 8.230 nan 0.000 0.474 160 V N 1.128 121.082 119.914 0.067 0.000 2.453 160 V HA -0.184 3.936 4.120 -0.000 0.000 0.252 160 V C 2.114 178.224 176.094 0.027 0.000 1.068 160 V CA 1.999 64.328 62.300 0.048 0.000 1.070 160 V CB -1.293 30.545 31.823 0.024 0.000 0.664 160 V HN 0.998 nan 8.190 nan 0.000 0.461 161 G N -0.326 108.489 108.800 0.025 0.000 2.422 161 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.218 161 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.218 161 G C 1.465 176.381 174.900 0.026 0.000 1.140 161 G CA 0.825 45.936 45.100 0.018 0.000 0.775 161 G HN 0.618 nan 8.290 nan 0.000 0.545 162 E N -0.460 119.763 120.200 0.038 0.000 2.076 162 E HA 0.315 4.665 4.350 -0.000 0.000 0.190 162 E C 1.416 178.045 176.600 0.049 0.000 0.979 162 E CA 0.303 56.730 56.400 0.045 0.000 0.807 162 E CB 0.048 29.781 29.700 0.055 0.000 0.761 162 E HN 0.460 nan 8.360 nan 0.000 0.454 163 G N 0.075 108.907 108.800 0.053 0.000 2.746 163 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.685 163 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.685 163 G C -0.732 174.210 174.900 0.070 0.000 1.350 163 G CA -0.537 44.595 45.100 0.054 0.000 0.837 163 G HN 0.135 nan 8.290 nan 0.000 0.564 164 V N 0.296 120.249 119.914 0.065 0.000 2.769 164 V HA 0.852 4.972 4.120 -0.000 0.000 0.312 164 V C 0.383 176.487 176.094 0.017 0.000 1.061 164 V CA -0.245 62.098 62.300 0.072 0.000 0.931 164 V CB 2.393 34.270 31.823 0.090 0.000 1.010 164 V HN 1.140 nan 8.190 nan 0.000 0.433 165 T N 2.852 117.405 114.554 -0.002 0.000 2.812 165 T HA 0.516 4.866 4.350 -0.000 0.000 0.282 165 T C -0.615 174.013 174.700 -0.120 0.000 0.990 165 T CA -0.318 61.681 62.100 -0.169 0.000 0.960 165 T CB 1.515 70.110 68.868 -0.454 0.000 0.948 165 T HN 0.347 nan 8.240 nan 0.000 0.438 166 V N 4.742 124.530 119.914 -0.211 0.000 2.383 166 V HA 0.492 4.612 4.120 -0.000 0.000 0.275 166 V C -0.294 175.666 176.094 -0.222 0.000 1.036 166 V CA -0.734 61.455 62.300 -0.186 0.000 0.889 166 V CB 1.142 32.747 31.823 -0.364 0.000 0.985 166 V HN 0.650 nan 8.190 nan 0.000 0.459 167 L N 4.590 125.760 121.223 -0.088 0.000 2.333 167 L HA 0.576 4.915 4.340 -0.000 0.000 0.280 167 L C 0.232 177.081 176.870 -0.035 0.000 1.004 167 L CA 0.301 55.087 54.840 -0.090 0.000 0.820 167 L CB 2.063 44.140 42.059 0.030 0.000 1.247 167 L HN 0.635 nan 8.230 nan 0.000 0.416 168 S N 5.463 121.128 115.700 -0.059 0.000 2.474 168 S HA 0.554 5.024 4.470 -0.000 0.000 0.276 168 S C -0.413 174.186 174.600 -0.002 0.000 1.227 168 S CA -0.467 57.717 58.200 -0.027 0.000 1.050 168 S CB -0.214 62.968 63.200 -0.031 0.000 0.939 168 S HN 0.565 nan 8.310 nan 0.000 0.490 169 L N 6.588 127.811 121.223 -0.000 0.000 2.334 169 L HA 0.561 4.901 4.340 -0.000 0.000 0.273 169 L C -1.723 175.127 176.870 -0.032 0.000 1.013 169 L CA -2.358 52.482 54.840 -0.000 0.000 0.816 169 L CB 1.540 43.594 42.059 -0.008 0.000 1.278 169 L HN 0.526 nan 8.230 nan 0.000 0.431 170 P HA 0.021 nan 4.420 nan 0.000 0.266 170 P C -0.341 176.821 177.300 -0.231 0.000 1.195 170 P CA -0.043 62.928 63.100 -0.215 0.000 0.768 170 P CB 0.596 31.969 31.700 -0.544 0.000 0.838 171 T N -1.826 112.585 114.554 -0.238 0.000 3.514 171 T HA 0.475 4.825 4.350 -0.000 0.000 0.259 171 T C -0.199 174.347 174.700 -0.257 0.000 1.466 171 T CA -0.535 61.443 62.100 -0.203 0.000 1.562 171 T CB -0.951 67.832 68.868 -0.141 0.000 0.924 171 T HN 0.717 nan 8.240 nan 0.000 0.678 172 S N 0.479 115.975 115.700 -0.339 0.000 2.922 172 S HA -0.078 4.392 4.470 -0.000 0.000 0.854 172 S C -1.066 173.314 174.600 -0.366 0.000 0.921 172 S CA -0.780 57.235 58.200 -0.308 0.000 1.418 172 S CB -1.028 62.048 63.200 -0.207 0.000 1.015 172 S HN 0.688 nan 8.310 nan 0.000 0.230 173 Y N 1.637 121.899 120.300 -0.064 0.000 2.732 173 Y HA 0.470 5.020 4.550 -0.000 0.000 0.327 173 Y C 1.111 176.971 175.900 -0.066 0.000 1.162 173 Y CA -0.409 57.650 58.100 -0.069 0.000 1.238 173 Y CB 0.650 39.069 38.460 -0.069 0.000 1.443 173 Y HN 0.831 nan 8.280 nan 0.000 0.584 174 D N 0.958 121.455 120.400 0.161 0.000 2.751 174 D HA -0.187 4.453 4.640 -0.000 0.000 0.233 174 D C -1.077 175.256 176.300 0.055 0.000 1.149 174 D CA 0.777 54.820 54.000 0.072 0.000 0.682 174 D CB -1.060 39.773 40.800 0.055 0.000 1.068 174 D HN 0.264 nan 8.370 nan 0.000 0.429 175 L N -0.036 121.220 121.223 0.055 0.000 2.395 175 L HA 0.451 4.791 4.340 -0.000 0.000 0.269 175 L C 1.801 178.759 176.870 0.145 0.000 1.133 175 L CA -0.131 54.736 54.840 0.045 0.000 0.812 175 L CB 1.073 43.107 42.059 -0.041 0.000 1.125 175 L HN 0.035 nan 8.230 nan 0.000 0.452 176 G N 0.611 109.561 108.800 0.251 0.000 2.599 176 G HA2 0.209 4.169 3.960 -0.000 0.000 0.264 176 G HA3 0.209 4.169 3.960 -0.000 0.000 0.264 176 G C -0.972 174.074 174.900 0.243 0.000 1.200 176 G CA -0.322 44.927 45.100 0.249 0.000 0.896 176 G HN 0.329 nan 8.290 nan 0.000 0.536 177 Y N -0.982 119.367 120.300 0.081 0.000 2.397 177 Y HA 0.310 4.860 4.550 -0.000 0.000 0.335 177 Y C 0.814 176.749 175.900 0.058 0.000 1.213 177 Y CA 0.057 58.201 58.100 0.073 0.000 1.391 177 Y CB 1.323 39.812 38.460 0.048 0.000 1.293 177 Y HN 0.152 nan 8.280 nan 0.000 0.557 178 V N 4.518 124.474 119.914 0.070 0.000 2.472 178 V HA 0.369 4.489 4.120 -0.000 0.000 0.290 178 V C -0.074 176.012 176.094 -0.015 0.000 1.037 178 V CA -1.160 61.058 62.300 -0.136 0.000 0.908 178 V CB 1.500 33.011 31.823 -0.519 0.000 0.985 178 V HN 0.566 nan 8.190 nan 0.000 0.454 179 R N 2.965 123.402 120.500 -0.106 0.000 2.491 179 R HA 0.255 4.595 4.340 -0.000 0.000 0.283 179 R C 0.584 176.738 176.300 -0.244 0.000 1.072 179 R CA 0.241 56.121 56.100 -0.367 0.000 1.048 179 R CB 0.276 30.396 30.300 -0.300 0.000 0.983 179 R HN 0.713 nan 8.270 nan 0.000 0.450 180 L N 3.280 124.358 121.223 -0.240 0.000 2.591 180 L HA 0.213 4.553 4.340 -0.000 0.000 0.228 180 L C 1.042 177.870 176.870 -0.071 0.000 1.133 180 L CA 0.701 55.467 54.840 -0.123 0.000 0.880 180 L CB 0.068 42.077 42.059 -0.084 0.000 1.033 180 L HN 1.098 nan 8.230 nan 0.000 0.450 181 G N 0.831 109.574 108.800 -0.095 0.000 2.149 181 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.235 181 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.235 181 G C -0.027 174.846 174.900 -0.045 0.000 1.018 181 G CA 0.203 45.272 45.100 -0.051 0.000 0.728 181 G HN 0.532 nan 8.290 nan 0.000 0.508 182 D N 0.289 120.645 120.400 -0.072 0.000 2.368 182 D HA 0.342 4.982 4.640 -0.000 0.000 0.240 182 D C -2.053 174.219 176.300 -0.047 0.000 1.169 182 D CA -1.170 52.797 54.000 -0.056 0.000 0.906 182 D CB 1.240 41.994 40.800 -0.076 0.000 1.187 182 D HN 0.267 nan 8.370 nan 0.000 0.435 183 P HA 0.202 nan 4.420 nan 0.000 0.275 183 P C -0.085 177.197 177.300 -0.031 0.000 1.228 183 P CA -0.401 62.683 63.100 -0.027 0.000 0.786 183 P CB 1.053 32.742 31.700 -0.019 0.000 0.927 184 I N -0.289 120.265 120.570 -0.026 0.000 2.707 184 I HA 0.634 4.804 4.170 -0.000 0.000 0.309 184 I C -2.574 173.532 176.117 -0.018 0.000 1.001 184 I CA -3.420 57.865 61.300 -0.025 0.000 1.129 184 I CB 1.113 39.098 38.000 -0.025 0.000 1.308 184 I HN 0.046 nan 8.210 nan 0.000 0.466 185 P HA 0.403 nan 4.420 nan 0.000 0.267 185 P C -0.974 176.319 177.300 -0.011 0.000 1.209 185 P CA 0.113 63.206 63.100 -0.013 0.000 0.763 185 P CB 0.796 32.489 31.700 -0.011 0.000 0.816 186 A N 3.283 126.097 122.820 -0.009 0.000 2.605 186 A HA 0.768 5.088 4.320 -0.000 0.000 0.294 186 A C -1.236 176.345 177.584 -0.006 0.000 1.062 186 A CA -0.625 51.407 52.037 -0.007 0.000 0.682 186 A CB 1.049 20.044 19.000 -0.008 0.000 1.278 186 A HN 0.517 nan 8.150 nan 0.000 0.410 187 I N -1.320 119.247 120.570 -0.005 0.000 2.769 187 I HA 0.957 5.127 4.170 -0.000 0.000 0.298 187 I C 0.013 176.128 176.117 -0.003 0.000 1.128 187 I CA -0.874 60.423 61.300 -0.004 0.000 1.031 187 I CB 2.396 40.394 38.000 -0.004 0.000 1.235 187 I HN 1.070 nan 8.210 nan 0.000 0.423 188 G N 3.522 112.320 108.800 -0.003 0.000 2.698 188 G HA2 0.489 4.449 3.960 -0.000 0.000 0.293 188 G HA3 0.489 4.449 3.960 -0.000 0.000 0.293 188 G C -0.130 174.769 174.900 -0.002 0.000 1.437 188 G CA -0.890 44.209 45.100 -0.002 0.000 0.852 188 G HN 0.715 nan 8.290 nan 0.000 0.499 189 L N -0.350 120.872 121.223 -0.002 0.000 2.141 189 L HA 0.044 4.383 4.340 -0.000 0.000 0.209 189 L C 0.936 177.805 176.870 -0.001 0.000 1.094 189 L CA 0.714 55.553 54.840 -0.001 0.000 0.763 189 L CB 0.055 42.113 42.059 -0.002 0.000 0.908 189 L HN 0.388 nan 8.230 nan 0.000 0.437 190 D N -0.024 120.376 120.400 -0.001 0.000 2.317 190 D HA 0.096 4.736 4.640 -0.000 0.000 0.252 190 D C -1.703 174.597 176.300 0.000 0.000 1.174 190 D CA -1.879 52.121 54.000 -0.000 0.000 0.866 190 D CB 1.805 42.605 40.800 -0.001 0.000 1.127 190 D HN -0.112 nan 8.370 nan 0.000 0.467 191 P HA -0.020 nan 4.420 nan 0.000 0.223 191 P C 0.549 177.851 177.300 0.002 0.000 1.151 191 P CA 0.888 63.989 63.100 0.001 0.000 0.787 191 P CB 0.322 32.023 31.700 0.002 0.000 0.788 192 K N -1.293 119.108 120.400 0.002 0.000 2.458 192 K HA 0.139 4.459 4.320 -0.000 0.000 0.194 192 K C 0.875 177.477 176.600 0.003 0.000 1.024 192 K CA -0.203 56.086 56.287 0.003 0.000 1.108 192 K CB -0.138 32.364 32.500 0.004 0.000 0.846 192 K HN 0.239 nan 8.250 nan 0.000 0.518 193 M N 2.079 121.680 119.600 0.002 0.000 2.248 193 M HA 0.039 4.519 4.480 -0.000 0.000 0.345 193 M C -0.925 175.376 176.300 0.001 0.000 1.243 193 M CA 0.625 55.925 55.300 0.001 0.000 1.090 193 M CB 0.581 33.180 32.600 -0.000 0.000 1.683 193 M HN -0.221 nan 8.290 nan 0.000 0.450 194 V N 4.196 124.110 119.914 0.001 0.000 2.760 194 V HA 0.827 4.947 4.120 -0.000 0.000 0.309 194 V C -0.762 175.331 176.094 -0.001 0.000 1.077 194 V CA -0.847 61.453 62.300 0.001 0.000 0.910 194 V CB 1.721 33.547 31.823 0.004 0.000 1.008 194 V HN 0.969 nan 8.190 nan 0.000 0.424 195 A N 2.975 125.792 122.820 -0.005 0.000 2.408 195 A HA 0.955 5.275 4.320 -0.000 0.000 0.295 195 A C -0.315 177.260 177.584 -0.016 0.000 1.040 195 A CA -0.215 51.816 52.037 -0.010 0.000 0.707 195 A CB 1.898 20.892 19.000 -0.011 0.000 1.235 195 A HN 1.050 nan 8.150 nan 0.000 0.418 196 T N -2.078 112.464 114.554 -0.021 0.000 2.841 196 T HA 0.594 4.944 4.350 -0.000 0.000 0.296 196 T C -0.806 173.866 174.700 -0.047 0.000 1.166 196 T CA -0.714 61.368 62.100 -0.031 0.000 1.007 196 T CB 1.360 70.214 68.868 -0.024 0.000 1.253 196 T HN 1.237 nan 8.240 nan 0.000 0.511 197 C N 2.353 121.613 119.300 -0.065 0.000 2.271 197 C HA 0.641 5.101 4.460 -0.000 0.000 0.323 197 C C -0.646 174.283 174.990 -0.101 0.000 1.245 197 C CA -0.420 58.546 59.018 -0.086 0.000 1.548 197 C CB -1.246 26.433 27.740 -0.101 0.000 2.214 197 C HN 0.861 nan 8.230 nan 0.000 0.477 198 D N 2.829 123.170 120.400 -0.098 0.000 2.332 198 D HA 0.298 4.938 4.640 -0.000 0.000 0.252 198 D C -0.010 176.237 176.300 -0.090 0.000 1.050 198 D CA 0.050 54.001 54.000 -0.083 0.000 0.970 198 D CB 1.507 42.272 40.800 -0.058 0.000 1.141 198 D HN 0.538 nan 8.370 nan 0.000 0.485 199 S N -0.131 115.528 115.700 -0.068 0.000 2.515 199 S HA 0.160 4.630 4.470 -0.000 0.000 0.285 199 S C 1.069 175.653 174.600 -0.027 0.000 1.265 199 S CA -0.166 57.983 58.200 -0.085 0.000 1.079 199 S CB 0.341 63.477 63.200 -0.107 0.000 0.877 199 S HN 0.531 nan 8.310 nan 0.000 0.493 200 S N 1.184 116.868 115.700 -0.027 0.000 3.084 200 S HA 0.122 4.591 4.470 -0.000 0.000 0.262 200 S C -0.402 174.227 174.600 0.048 0.000 1.081 200 S CA -0.507 57.702 58.200 0.016 0.000 0.855 200 S CB -0.433 62.738 63.200 -0.048 0.000 0.857 200 S HN 0.552 nan 8.310 nan 0.000 0.449 201 D N 3.361 123.784 120.400 0.038 0.000 2.525 201 D HA 0.260 4.900 4.640 -0.000 0.000 0.235 201 D C 0.144 176.504 176.300 0.100 0.000 1.137 201 D CA 0.705 54.748 54.000 0.070 0.000 0.868 201 D CB -0.047 40.806 40.800 0.089 0.000 1.180 201 D HN 0.210 nan 8.370 nan 0.000 0.465 202 R N -0.347 120.208 120.500 0.093 0.000 3.184 202 R HA -0.102 4.238 4.340 -0.000 0.000 0.257 202 R C -2.456 173.885 176.300 0.068 0.000 0.999 202 R CA -0.041 56.111 56.100 0.086 0.000 0.670 202 R CB -1.722 28.661 30.300 0.139 0.000 1.197 202 R HN 0.460 nan 8.270 nan 0.000 0.419 203 P HA 0.070 nan 4.420 nan 0.000 0.272 203 P C -0.361 176.929 177.300 -0.017 0.000 1.240 203 P CA -0.113 63.012 63.100 0.043 0.000 0.791 203 P CB 0.727 32.466 31.700 0.066 0.000 0.978 204 R N 0.807 121.274 120.500 -0.055 0.000 2.532 204 R HA 0.569 4.909 4.340 -0.000 0.000 0.295 204 R C -1.468 174.716 176.300 -0.193 0.000 0.968 204 R CA -0.770 55.240 56.100 -0.150 0.000 0.916 204 R CB 1.071 31.264 30.300 -0.179 0.000 1.124 204 R HN 0.266 nan 8.270 nan 0.000 0.463 205 V N 4.963 124.720 119.914 -0.262 0.000 2.577 205 V HA 0.387 4.507 4.120 -0.000 0.000 0.303 205 V C -1.381 174.541 176.094 -0.288 0.000 1.042 205 V CA -0.669 61.513 62.300 -0.197 0.000 0.872 205 V CB 1.687 33.450 31.823 -0.099 0.000 0.998 205 V HN 0.703 nan 8.190 nan 0.000 0.423 206 Y N 1.790 122.066 120.300 -0.040 0.000 2.352 206 Y HA 0.598 5.148 4.550 -0.000 0.000 0.339 206 Y C 0.669 176.528 175.900 -0.069 0.000 0.992 206 Y CA -0.502 57.571 58.100 -0.045 0.000 1.100 206 Y CB 2.219 40.658 38.460 -0.034 0.000 1.192 206 Y HN 0.489 nan 8.280 nan 0.000 0.458 207 T N 5.462 120.054 114.554 0.064 0.000 2.786 207 T HA 0.589 4.938 4.350 -0.000 0.000 0.283 207 T C -0.546 174.108 174.700 -0.076 0.000 0.992 207 T CA -0.505 61.581 62.100 -0.023 0.000 0.954 207 T CB 0.248 69.091 68.868 -0.042 0.000 0.934 207 T HN 0.378 nan 8.240 nan 0.000 0.440 208 I N 2.857 123.329 120.570 -0.164 0.000 2.418 208 I HA 0.282 4.452 4.170 -0.000 0.000 0.287 208 I C 0.177 176.099 176.117 -0.325 0.000 1.008 208 I CA -0.713 60.405 61.300 -0.303 0.000 1.104 208 I CB 1.969 39.645 38.000 -0.540 0.000 1.264 208 I HN 0.456 nan 8.210 nan 0.000 0.438 209 T N 5.719 120.109 114.554 -0.273 0.000 2.891 209 T HA 0.246 4.596 4.350 -0.000 0.000 0.315 209 T C 1.137 175.675 174.700 -0.270 0.000 1.054 209 T CA -0.312 61.657 62.100 -0.219 0.000 0.958 209 T CB 1.209 69.993 68.868 -0.140 0.000 1.008 209 T HN 0.763 nan 8.240 nan 0.000 0.521 210 A N 2.848 125.484 122.820 -0.307 0.000 2.015 210 A HA 0.533 4.853 4.320 -0.000 0.000 0.219 210 A C 1.224 178.743 177.584 -0.107 0.000 1.163 210 A CA 0.706 52.594 52.037 -0.249 0.000 0.646 210 A CB 0.051 18.997 19.000 -0.091 0.000 0.806 210 A HN 0.891 nan 8.150 nan 0.000 0.448 211 A N -1.022 121.745 122.820 -0.087 0.000 2.566 211 A HA 0.545 4.865 4.320 -0.000 0.000 0.297 211 A C -1.890 175.684 177.584 -0.017 0.000 1.059 211 A CA -0.265 51.757 52.037 -0.025 0.000 0.691 211 A CB 1.040 20.059 19.000 0.032 0.000 1.282 211 A HN 0.048 nan 8.150 nan 0.000 0.401 212 D N 1.897 122.315 120.400 0.029 0.000 2.378 212 D HA 0.423 5.063 4.640 -0.000 0.000 0.265 212 D C -0.726 175.611 176.300 0.061 0.000 1.229 212 D CA 0.297 54.309 54.000 0.019 0.000 0.914 212 D CB 0.203 41.006 40.800 0.006 0.000 1.140 212 D HN 0.458 nan 8.370 nan 0.000 0.516 213 D N 2.031 122.465 120.400 0.057 0.000 2.716 213 D HA -0.282 4.358 4.640 -0.000 0.000 0.239 213 D C -0.715 175.669 176.300 0.141 0.000 1.125 213 D CA 0.453 54.498 54.000 0.075 0.000 0.681 213 D CB -1.432 39.401 40.800 0.056 0.000 1.070 213 D HN 0.456 nan 8.370 nan 0.000 0.432 214 Y N 1.262 121.595 120.300 0.054 0.000 2.377 214 Y HA 0.252 4.802 4.550 -0.000 0.000 0.330 214 Y C 0.342 176.312 175.900 0.117 0.000 1.108 214 Y CA -0.004 58.148 58.100 0.086 0.000 1.308 214 Y CB 0.698 39.231 38.460 0.123 0.000 1.216 214 Y HN -0.072 nan 8.280 nan 0.000 0.518 215 Q N 7.496 126.943 119.800 -0.589 0.000 2.331 215 Q HA 0.185 4.525 4.340 -0.000 0.000 0.257 215 Q C -1.431 173.991 176.000 -0.964 0.000 0.957 215 Q CA -0.412 55.050 55.803 -0.568 0.000 0.923 215 Q CB 1.360 29.917 28.738 -0.303 0.000 1.212 215 Q HN 0.719 nan 8.270 nan 0.000 0.443 216 F N 1.644 121.018 119.950 -0.961 0.000 2.436 216 F HA 0.520 5.047 4.527 -0.000 0.000 0.340 216 F C -0.566 174.825 175.800 -0.682 0.000 1.113 216 F CA -0.560 56.829 58.000 -1.018 0.000 1.022 216 F CB 1.553 39.456 39.000 -1.829 0.000 1.128 216 F HN 0.319 nan 8.300 nan 0.000 0.466 217 S N 4.372 119.177 115.700 -1.491 0.000 2.572 217 S HA 0.724 5.194 4.470 -0.000 0.000 0.274 217 S C -1.378 172.587 174.600 -1.058 0.000 1.150 217 S CA -0.352 57.195 58.200 -1.089 0.000 0.944 217 S CB 1.273 64.149 63.200 -0.539 0.000 1.071 217 S HN 0.997 nan 8.310 nan 0.000 0.479 218 S N 2.707 117.953 115.700 -0.756 0.000 2.565 218 S HA 0.397 4.866 4.470 -0.000 0.000 0.274 218 S C -1.497 173.012 174.600 -0.152 0.000 1.144 218 S CA -0.588 57.371 58.200 -0.402 0.000 0.849 218 S CB 1.650 64.644 63.200 -0.343 0.000 1.103 218 S HN 0.890 nan 8.310 nan 0.000 0.455 219 Q N 2.130 121.888 119.800 -0.071 0.000 2.340 219 Q HA 0.373 4.712 4.340 -0.000 0.000 0.249 219 Q C -0.513 175.527 176.000 0.066 0.000 0.957 219 Q CA -0.442 55.369 55.803 0.014 0.000 0.882 219 Q CB 0.455 29.201 28.738 0.013 0.000 1.235 219 Q HN 0.708 nan 8.270 nan 0.000 0.439 220 Y N 2.513 122.827 120.300 0.023 0.000 2.641 220 Y HA -0.084 4.465 4.550 -0.000 0.000 0.351 220 Y C -0.618 175.308 175.900 0.043 0.000 1.269 220 Y CA 0.969 59.097 58.100 0.047 0.000 1.485 220 Y CB 0.488 38.972 38.460 0.041 0.000 1.364 220 Y HN 0.714 nan 8.280 nan 0.000 0.651 221 Q N 3.550 122.612 119.800 -1.229 0.000 2.507 221 Q HA 0.197 4.537 4.340 -0.000 0.000 0.248 221 Q C -1.583 173.847 176.000 -0.950 0.000 0.941 221 Q CA -0.532 54.792 55.803 -0.798 0.000 1.003 221 Q CB 1.286 29.840 28.738 -0.305 0.000 1.517 221 Q HN 0.833 nan 8.270 nan 0.000 0.443 222 S N 1.664 117.002 115.700 -0.603 0.000 2.558 222 S HA 0.392 4.861 4.470 -0.000 0.000 0.293 222 S C 1.238 175.746 174.600 -0.153 0.000 1.292 222 S CA 2.134 60.200 58.200 -0.223 0.000 1.063 222 S CB 0.062 63.266 63.200 0.006 0.000 0.831 222 S HN 1.344 nan 8.310 nan 0.000 0.499 223 G N 2.668 111.427 108.800 -0.069 0.000 2.199 223 G HA2 0.034 3.994 3.960 -0.000 0.000 0.254 223 G HA3 0.034 3.994 3.960 -0.000 0.000 0.254 223 G C 1.133 176.009 174.900 -0.041 0.000 0.982 223 G CA 0.305 45.383 45.100 -0.037 0.000 0.632 223 G HN 2.139 nan 8.290 nan 0.000 0.529 224 G N -2.368 106.381 108.800 -0.085 0.000 2.746 224 G HA2 0.269 4.229 3.960 -0.000 0.000 0.685 224 G HA3 0.269 4.229 3.960 -0.000 0.000 0.685 224 G C -0.451 174.441 174.900 -0.015 0.000 1.350 224 G CA 0.017 45.097 45.100 -0.034 0.000 0.837 224 G HN 1.543 nan 8.290 nan 0.000 0.564 225 V N 1.012 120.954 119.914 0.046 0.000 2.448 225 V HA 0.704 4.824 4.120 -0.000 0.000 0.295 225 V C 0.561 176.701 176.094 0.076 0.000 1.025 225 V CA -0.184 62.167 62.300 0.085 0.000 0.859 225 V CB 1.816 33.757 31.823 0.197 0.000 0.988 225 V HN 1.040 nan 8.190 nan 0.000 0.431 226 T N 6.657 121.249 114.554 0.063 0.000 2.829 226 T HA 0.750 5.100 4.350 -0.000 0.000 0.282 226 T C -0.240 174.504 174.700 0.073 0.000 0.990 226 T CA -0.167 61.965 62.100 0.054 0.000 1.028 226 T CB 1.027 69.917 68.868 0.036 0.000 0.951 226 T HN 0.663 nan 8.240 nan 0.000 0.460 227 I N -1.025 119.591 120.570 0.077 0.000 2.934 227 I HA 0.707 4.877 4.170 -0.000 0.000 0.306 227 I C -0.827 175.331 176.117 0.067 0.000 1.110 227 I CA -0.970 60.389 61.300 0.099 0.000 1.019 227 I CB 2.595 40.697 38.000 0.170 0.000 1.227 227 I HN 0.330 nan 8.210 nan 0.000 0.434 228 T N 4.339 118.915 114.554 0.037 0.000 2.874 228 T HA 0.281 4.631 4.350 -0.000 0.000 0.321 228 T C 0.646 175.345 174.700 -0.002 0.000 1.075 228 T CA -0.267 61.823 62.100 -0.017 0.000 0.966 228 T CB 1.251 70.073 68.868 -0.078 0.000 1.001 228 T HN 0.564 nan 8.240 nan 0.000 0.476 229 L N 4.181 125.420 121.223 0.026 0.000 2.046 229 L HA 0.212 4.552 4.340 -0.000 0.000 0.208 229 L C 0.245 177.190 176.870 0.125 0.000 1.077 229 L CA 1.861 56.743 54.840 0.070 0.000 0.747 229 L CB -0.334 41.834 42.059 0.180 0.000 0.896 229 L HN 0.747 nan 8.230 nan 0.000 0.432 230 F N -3.905 116.031 119.950 -0.024 0.000 2.773 230 F HA 0.596 5.123 4.527 -0.000 0.000 0.314 230 F C -0.803 174.983 175.800 -0.024 0.000 1.160 230 F CA -0.985 56.991 58.000 -0.040 0.000 0.920 230 F CB 0.710 39.678 39.000 -0.053 0.000 1.323 230 F HN -0.355 nan 8.300 nan 0.000 0.457 231 S N 1.243 117.033 115.700 0.150 0.000 2.614 231 S HA 0.887 5.357 4.470 -0.000 0.000 0.275 231 S C -1.450 173.281 174.600 0.218 0.000 1.161 231 S CA 0.156 58.373 58.200 0.028 0.000 0.969 231 S CB 1.124 64.298 63.200 -0.045 0.000 1.059 231 S HN 1.643 nan 8.310 nan 0.000 0.482 232 A N 3.956 126.901 122.820 0.207 0.000 2.475 232 A HA 0.764 5.084 4.320 -0.000 0.000 0.301 232 A C -1.081 176.503 177.584 -0.001 0.000 1.059 232 A CA -0.899 51.206 52.037 0.113 0.000 0.710 232 A CB 1.089 20.162 19.000 0.121 0.000 1.288 232 A HN 0.719 nan 8.150 nan 0.000 0.408 233 N N 1.144 119.824 118.700 -0.033 0.000 2.458 233 N HA 0.581 5.321 4.740 -0.000 0.000 0.270 233 N C -0.385 175.002 175.510 -0.204 0.000 1.102 233 N CA 0.194 53.208 53.050 -0.061 0.000 0.967 233 N CB 0.676 39.164 38.487 0.001 0.000 1.078 233 N HN 0.723 nan 8.380 nan 0.000 0.471 234 I N -2.201 118.216 120.570 -0.255 0.000 3.191 234 I HA 0.594 4.764 4.170 -0.000 0.000 0.313 234 I C -1.189 174.857 176.117 -0.117 0.000 1.193 234 I CA -0.962 60.015 61.300 -0.539 0.000 0.968 234 I CB 2.768 40.241 38.000 -0.877 0.000 1.262 234 I HN 0.034 nan 8.210 nan 0.000 0.456 235 D N 2.236 122.681 120.400 0.074 0.000 2.646 235 D HA 0.746 5.386 4.640 -0.000 0.000 0.245 235 D C -1.127 175.243 176.300 0.117 0.000 1.099 235 D CA -0.256 53.816 54.000 0.120 0.000 0.849 235 D CB 2.456 43.357 40.800 0.169 0.000 1.448 235 D HN 0.922 nan 8.370 nan 0.000 0.489 236 A N 1.816 124.670 122.820 0.057 0.000 2.540 236 A HA 0.532 4.851 4.320 -0.000 0.000 0.297 236 A C -0.340 177.236 177.584 -0.014 0.000 1.056 236 A CA -0.513 51.545 52.037 0.034 0.000 0.700 236 A CB 0.933 19.954 19.000 0.036 0.000 1.280 236 A HN 0.553 nan 8.150 nan 0.000 0.398 237 I N 0.390 120.939 120.570 -0.035 0.000 4.338 237 I HA 0.132 4.302 4.170 -0.000 0.000 0.315 237 I C 1.119 177.221 176.117 -0.025 0.000 1.262 237 I CA 1.039 62.286 61.300 -0.088 0.000 1.298 237 I CB 0.859 38.730 38.000 -0.216 0.000 1.257 237 I HN 0.811 nan 8.210 nan 0.000 0.444 238 T N -1.628 112.943 114.554 0.029 0.000 2.773 238 T HA 0.398 4.748 4.350 -0.000 0.000 0.278 238 T C 0.238 174.978 174.700 0.065 0.000 1.011 238 T CA -0.457 61.679 62.100 0.059 0.000 1.014 238 T CB 1.295 70.225 68.868 0.104 0.000 1.293 238 T HN 0.107 nan 8.240 nan 0.000 0.554 239 S N 0.613 116.369 115.700 0.093 0.000 2.571 239 S HA 0.293 4.763 4.470 -0.000 0.000 0.298 239 S C 0.054 174.719 174.600 0.108 0.000 1.280 239 S CA -0.191 58.087 58.200 0.130 0.000 1.052 239 S CB -1.122 62.193 63.200 0.191 0.000 0.799 239 S HN 1.306 nan 8.310 nan 0.000 0.501 240 L N -0.158 121.080 121.223 0.025 0.000 2.479 240 L HA 0.939 5.279 4.340 -0.000 0.000 0.255 240 L C -0.594 176.215 176.870 -0.102 0.000 1.026 240 L CA -0.940 53.800 54.840 -0.166 0.000 0.842 240 L CB 1.865 43.881 42.059 -0.073 0.000 1.444 240 L HN 0.852 nan 8.230 nan 0.000 0.409 241 S N 0.343 115.944 115.700 -0.163 0.000 2.599 241 S HA 0.852 5.321 4.470 -0.000 0.000 0.287 241 S C -0.912 173.688 174.600 0.001 0.000 1.105 241 S CA -0.682 57.507 58.200 -0.018 0.000 0.899 241 S CB 1.815 65.046 63.200 0.051 0.000 1.100 241 S HN 0.694 nan 8.310 nan 0.000 0.482 242 I N 1.685 122.285 120.570 0.050 0.000 2.468 242 I HA 0.629 4.799 4.170 -0.000 0.000 0.285 242 I C 0.390 176.567 176.117 0.100 0.000 1.039 242 I CA -0.554 60.784 61.300 0.062 0.000 1.074 242 I CB 1.837 39.895 38.000 0.098 0.000 1.228 242 I HN 0.944 nan 8.210 nan 0.000 0.436 243 G N 3.041 111.872 108.800 0.051 0.000 2.816 243 G HA2 0.906 4.866 3.960 -0.000 0.000 0.288 243 G HA3 0.906 4.866 3.960 -0.000 0.000 0.288 243 G C -0.463 174.438 174.900 0.002 0.000 1.334 243 G CA -0.495 44.655 45.100 0.084 0.000 0.978 243 G HN 0.993 nan 8.290 nan 0.000 0.493 244 G N -0.986 107.852 108.800 0.063 0.000 2.331 244 G HA2 0.499 4.459 3.960 -0.000 0.000 0.479 244 G HA3 0.499 4.459 3.960 -0.000 0.000 0.479 244 G C -0.797 174.206 174.900 0.171 0.000 1.262 244 G CA 0.322 45.424 45.100 0.003 0.000 1.029 244 G HN 1.615 nan 8.290 nan 0.000 0.487 245 E N -1.458 118.816 120.200 0.123 0.000 2.388 245 E HA 0.641 4.991 4.350 -0.000 0.000 0.280 245 E C -1.624 175.098 176.600 0.203 0.000 1.019 245 E CA -1.150 55.422 56.400 0.285 0.000 0.806 245 E CB 1.481 31.283 29.700 0.170 0.000 1.246 245 E HN 0.693 nan 8.360 nan 0.000 0.443 246 L N 1.679 123.083 121.223 0.302 0.000 2.334 246 L HA 0.676 5.016 4.340 -0.000 0.000 0.273 246 L C -0.836 176.067 176.870 0.056 0.000 1.013 246 L CA -1.406 53.500 54.840 0.111 0.000 0.816 246 L CB 2.054 44.211 42.059 0.163 0.000 1.278 246 L HN 0.448 nan 8.230 nan 0.000 0.431 247 V N 2.411 122.247 119.914 -0.130 0.000 2.487 247 V HA 0.444 4.564 4.120 -0.000 0.000 0.298 247 V C -0.735 175.205 176.094 -0.256 0.000 1.028 247 V CA -0.459 61.799 62.300 -0.070 0.000 0.860 247 V CB 1.686 33.456 31.823 -0.089 0.000 0.991 247 V HN 0.360 nan 8.190 nan 0.000 0.427 248 F N 2.960 122.837 119.950 -0.122 0.000 2.443 248 F HA 0.603 5.130 4.527 -0.000 0.000 0.335 248 F C 0.485 176.345 175.800 0.099 0.000 1.104 248 F CA -0.389 57.553 58.000 -0.097 0.000 1.013 248 F CB 1.287 40.156 39.000 -0.218 0.000 1.136 248 F HN 0.465 nan 8.300 nan 0.000 0.470 249 H N 0.140 119.372 119.070 0.270 0.000 2.572 249 H HA 0.622 5.178 4.556 -0.000 0.000 0.359 249 H C -0.674 174.801 175.328 0.244 0.000 1.134 249 H CA -0.906 55.260 56.048 0.196 0.000 1.187 249 H CB 2.466 32.310 29.762 0.137 0.000 1.597 249 H HN 0.586 nan 8.280 nan 0.000 0.524 250 T N 0.084 114.804 114.554 0.276 0.000 2.889 250 T HA 0.154 4.504 4.350 -0.000 0.000 0.315 250 T C 0.330 175.068 174.700 0.063 0.000 1.291 250 T CA -0.375 61.850 62.100 0.208 0.000 1.028 250 T CB 1.230 70.239 68.868 0.235 0.000 1.235 250 T HN 0.657 nan 8.240 nan 0.000 0.491 251 S N 1.195 116.920 115.700 0.042 0.000 2.526 251 S HA 0.311 4.781 4.470 -0.000 0.000 0.220 251 S C 0.486 175.044 174.600 -0.071 0.000 1.017 251 S CA -0.163 58.023 58.200 -0.025 0.000 0.930 251 S CB 0.136 63.343 63.200 0.013 0.000 0.856 251 S HN 0.513 nan 8.310 nan 0.000 0.497 252 V N 3.667 123.571 119.914 -0.018 0.000 2.607 252 V HA 0.325 4.445 4.120 -0.000 0.000 0.289 252 V C 0.200 176.255 176.094 -0.065 0.000 1.053 252 V CA -0.505 61.805 62.300 0.018 0.000 0.996 252 V CB 0.697 32.576 31.823 0.092 0.000 0.995 252 V HN 0.492 nan 8.190 nan 0.000 0.476 253 H N 2.088 121.196 119.070 0.064 0.000 2.496 253 H HA 0.398 4.954 4.556 -0.000 0.000 0.342 253 H C 1.166 176.528 175.328 0.056 0.000 1.170 253 H CA 0.539 56.620 56.048 0.054 0.000 1.274 253 H CB 1.596 31.378 29.762 0.033 0.000 1.538 253 H HN 0.942 nan 8.280 nan 0.000 0.542 254 G N 1.721 110.624 108.800 0.173 0.000 2.160 254 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.251 254 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.251 254 G C -0.005 174.957 174.900 0.103 0.000 1.008 254 G CA 0.065 45.233 45.100 0.114 0.000 0.724 254 G HN 0.384 nan 8.290 nan 0.000 0.514 255 L N -0.134 121.150 121.223 0.102 0.000 2.343 255 L HA 0.784 5.124 4.340 -0.000 0.000 0.275 255 L C 0.568 177.463 176.870 0.043 0.000 1.056 255 L CA -0.308 54.600 54.840 0.113 0.000 0.804 255 L CB 1.833 44.001 42.059 0.181 0.000 1.203 255 L HN 0.385 nan 8.230 nan 0.000 0.440 256 A N 3.630 126.464 122.820 0.024 0.000 2.449 256 A HA 0.804 5.124 4.320 -0.000 0.000 0.302 256 A C -1.095 176.431 177.584 -0.097 0.000 1.048 256 A CA -0.511 51.496 52.037 -0.051 0.000 0.708 256 A CB 1.442 20.427 19.000 -0.025 0.000 1.274 256 A HN 0.604 nan 8.150 nan 0.000 0.410 257 L N 1.172 122.268 121.223 -0.212 0.000 2.330 257 L HA 0.636 4.976 4.340 -0.000 0.000 0.271 257 L C -1.062 175.685 176.870 -0.206 0.000 1.013 257 L CA -0.875 53.802 54.840 -0.271 0.000 0.816 257 L CB 2.069 43.787 42.059 -0.570 0.000 1.287 257 L HN 0.588 nan 8.230 nan 0.000 0.435 258 D N 1.380 121.686 120.400 -0.157 0.000 2.649 258 D HA 0.712 5.352 4.640 -0.000 0.000 0.249 258 D C -1.000 175.237 176.300 -0.105 0.000 1.112 258 D CA -0.062 53.868 54.000 -0.117 0.000 0.850 258 D CB 2.283 43.043 40.800 -0.067 0.000 1.399 258 D HN 0.623 nan 8.370 nan 0.000 0.503 259 A N 1.569 124.319 122.820 -0.116 0.000 2.422 259 A HA 0.793 5.113 4.320 -0.000 0.000 0.302 259 A C -0.660 176.869 177.584 -0.090 0.000 1.041 259 A CA -0.558 51.433 52.037 -0.077 0.000 0.708 259 A CB 1.624 20.568 19.000 -0.094 0.000 1.257 259 A HN 0.361 nan 8.150 nan 0.000 0.414 260 T N 2.686 117.213 114.554 -0.045 0.000 2.893 260 T HA 0.513 4.863 4.350 -0.000 0.000 0.293 260 T C -0.655 173.955 174.700 -0.150 0.000 1.027 260 T CA -0.340 61.668 62.100 -0.154 0.000 0.988 260 T CB 1.001 69.717 68.868 -0.254 0.000 1.043 260 T HN 0.474 nan 8.240 nan 0.000 0.461 261 I N 3.047 123.489 120.570 -0.213 0.000 2.392 261 I HA 0.427 4.597 4.170 -0.000 0.000 0.295 261 I C -0.941 174.992 176.117 -0.307 0.000 0.985 261 I CA -0.751 60.491 61.300 -0.097 0.000 1.221 261 I CB 1.213 39.237 38.000 0.041 0.000 1.366 261 I HN 0.655 nan 8.210 nan 0.000 0.467 262 Y N 5.705 125.979 120.300 -0.043 0.000 2.409 262 Y HA 0.530 5.080 4.550 -0.000 0.000 0.343 262 Y C -0.140 175.735 175.900 -0.042 0.000 0.973 262 Y CA -0.790 57.284 58.100 -0.043 0.000 1.064 262 Y CB 1.729 40.153 38.460 -0.059 0.000 1.207 262 Y HN 0.255 nan 8.280 nan 0.000 0.452 263 L N 5.189 126.476 121.223 0.105 0.000 2.305 263 L HA 0.501 4.841 4.340 -0.000 0.000 0.284 263 L C -0.981 175.924 176.870 0.059 0.000 1.013 263 L CA -0.718 54.156 54.840 0.056 0.000 0.819 263 L CB 0.999 43.074 42.059 0.027 0.000 1.227 263 L HN 0.467 nan 8.230 nan 0.000 0.417 264 I N 2.217 122.812 120.570 0.041 0.000 2.437 264 I HA 0.443 4.613 4.170 -0.000 0.000 0.298 264 I C 0.901 177.038 176.117 0.033 0.000 0.984 264 I CA -0.315 61.004 61.300 0.031 0.000 1.214 264 I CB 1.455 39.459 38.000 0.007 0.000 1.365 264 I HN 0.535 nan 8.210 nan 0.000 0.469 265 G N 3.029 111.852 108.800 0.038 0.000 2.562 265 G HA2 0.203 4.163 3.960 -0.000 0.000 0.275 265 G HA3 0.203 4.163 3.960 -0.000 0.000 0.275 265 G C 0.416 175.393 174.900 0.129 0.000 1.196 265 G CA -0.333 44.810 45.100 0.072 0.000 0.908 265 G HN 0.577 nan 8.290 nan 0.000 0.524 266 F N 0.739 120.692 119.950 0.006 0.000 2.202 266 F HA -0.155 4.372 4.527 -0.000 0.000 0.301 266 F C 2.189 177.957 175.800 -0.054 0.000 1.082 266 F CA 2.015 59.962 58.000 -0.087 0.000 1.313 266 F CB 0.193 39.024 39.000 -0.282 0.000 1.024 266 F HN 0.442 nan 8.300 nan 0.000 0.495 267 D N -1.025 119.440 120.400 0.109 0.000 2.319 267 D HA 0.152 4.792 4.640 -0.000 0.000 0.230 267 D C 1.838 178.134 176.300 -0.005 0.000 1.094 267 D CA 0.742 54.770 54.000 0.047 0.000 0.856 267 D CB -0.515 40.462 40.800 0.295 0.000 0.915 267 D HN 0.427 nan 8.370 nan 0.000 0.517 268 G N 0.130 108.912 108.800 -0.030 0.000 2.225 268 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.254 268 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.254 268 G C 0.581 175.477 174.900 -0.006 0.000 0.988 268 G CA 0.620 45.699 45.100 -0.036 0.000 0.625 268 G HN 0.828 nan 8.290 nan 0.000 0.527 269 T N -0.870 113.701 114.554 0.028 0.000 2.868 269 T HA 0.546 4.896 4.350 -0.000 0.000 0.292 269 T C 0.356 175.077 174.700 0.035 0.000 1.028 269 T CA 0.619 62.740 62.100 0.035 0.000 1.059 269 T CB 1.620 70.524 68.868 0.059 0.000 0.991 269 T HN 0.311 nan 8.240 nan 0.000 0.531 270 T N 2.288 116.869 114.554 0.045 0.000 2.749 270 T HA 0.332 4.682 4.350 -0.000 0.000 0.295 270 T C 1.271 176.005 174.700 0.055 0.000 0.936 270 T CA -0.693 61.450 62.100 0.072 0.000 1.060 270 T CB 0.972 69.915 68.868 0.125 0.000 0.904 270 T HN 0.543 nan 8.240 nan 0.000 0.500 271 V N 3.941 123.880 119.914 0.042 0.000 2.795 271 V HA 0.270 4.390 4.120 -0.000 0.000 0.243 271 V C 0.564 176.667 176.094 0.016 0.000 1.069 271 V CA 0.655 62.964 62.300 0.015 0.000 1.089 271 V CB 0.077 31.895 31.823 -0.010 0.000 0.756 271 V HN 0.697 nan 8.190 nan 0.000 0.471 272 I N 0.396 120.979 120.570 0.022 0.000 2.752 272 I HA 0.442 4.612 4.170 -0.000 0.000 0.295 272 I C -0.600 175.494 176.117 -0.038 0.000 1.219 272 I CA 0.056 61.354 61.300 -0.004 0.000 1.030 272 I CB 2.107 40.104 38.000 -0.006 0.000 1.259 272 I HN 0.238 nan 8.210 nan 0.000 0.423 273 T N 3.810 118.307 114.554 -0.094 0.000 2.916 273 T HA 0.748 5.098 4.350 -0.000 0.000 0.298 273 T C -0.735 173.848 174.700 -0.195 0.000 1.031 273 T CA -0.783 61.170 62.100 -0.246 0.000 0.993 273 T CB 2.452 71.146 68.868 -0.291 0.000 1.045 273 T HN 0.505 nan 8.240 nan 0.000 0.454 274 R N 1.797 122.156 120.500 -0.234 0.000 2.574 274 R HA 0.725 5.065 4.340 -0.000 0.000 0.288 274 R C -0.455 175.743 176.300 -0.170 0.000 1.004 274 R CA -0.695 55.315 56.100 -0.150 0.000 0.895 274 R CB 1.909 32.160 30.300 -0.081 0.000 1.191 274 R HN 0.991 nan 8.270 nan 0.000 0.444 275 A N 2.170 124.906 122.820 -0.140 0.000 2.409 275 A HA 0.349 4.669 4.320 -0.000 0.000 0.262 275 A C 0.758 178.248 177.584 -0.157 0.000 1.113 275 A CA -0.254 51.698 52.037 -0.142 0.000 0.790 275 A CB 0.575 19.507 19.000 -0.113 0.000 1.046 275 A HN 0.484 nan 8.150 nan 0.000 0.496 276 V N 1.470 121.260 119.914 -0.206 0.000 3.455 276 V HA 0.413 4.533 4.120 -0.000 0.000 0.250 276 V C 0.925 176.834 176.094 -0.309 0.000 1.230 276 V CA 1.345 63.452 62.300 -0.323 0.000 1.105 276 V CB 0.216 31.725 31.823 -0.523 0.000 0.850 276 V HN 1.128 nan 8.190 nan 0.000 0.461 277 A N -0.615 122.063 122.820 -0.237 0.000 2.459 277 A HA 0.767 5.087 4.320 -0.000 0.000 0.296 277 A C -0.696 176.794 177.584 -0.156 0.000 1.039 277 A CA -0.244 51.669 52.037 -0.208 0.000 0.698 277 A CB 1.975 20.826 19.000 -0.248 0.000 1.261 277 A HN 0.034 nan 8.150 nan 0.000 0.405 278 S N 1.822 117.444 115.700 -0.131 0.000 2.756 278 S HA 0.498 4.968 4.470 -0.000 0.000 0.303 278 S C -0.384 174.162 174.600 -0.090 0.000 1.135 278 S CA 0.290 58.431 58.200 -0.099 0.000 1.066 278 S CB 0.664 63.816 63.200 -0.080 0.000 1.008 278 S HN 1.513 nan 8.310 nan 0.000 0.482 279 D N 3.389 123.738 120.400 -0.084 0.000 2.689 279 D HA -0.210 4.430 4.640 -0.000 0.000 0.237 279 D C -0.496 175.751 176.300 -0.088 0.000 1.148 279 D CA 0.681 54.639 54.000 -0.070 0.000 0.656 279 D CB -1.260 39.512 40.800 -0.045 0.000 1.050 279 D HN 0.488 nan 8.370 nan 0.000 0.426 280 N N 0.349 118.971 118.700 -0.131 0.000 2.402 280 N HA 0.383 5.123 4.740 -0.000 0.000 0.252 280 N C 0.361 175.779 175.510 -0.154 0.000 1.118 280 N CA 0.607 53.566 53.050 -0.152 0.000 0.945 280 N CB 0.579 38.936 38.487 -0.218 0.000 1.147 280 N HN 0.380 nan 8.380 nan 0.000 0.495 281 G N 3.066 111.807 108.800 -0.098 0.000 2.442 281 G HA2 0.376 4.336 3.960 -0.000 0.000 0.249 281 G HA3 0.376 4.336 3.960 -0.000 0.000 0.249 281 G C -0.002 174.850 174.900 -0.081 0.000 1.263 281 G CA -0.426 44.632 45.100 -0.071 0.000 0.846 281 G HN 0.592 nan 8.290 nan 0.000 0.555 282 L N 1.617 122.801 121.223 -0.065 0.000 2.282 282 L HA 0.352 4.692 4.340 -0.000 0.000 0.288 282 L C 0.356 177.223 176.870 -0.004 0.000 1.033 282 L CA -0.619 54.192 54.840 -0.049 0.000 0.807 282 L CB 1.770 43.798 42.059 -0.051 0.000 1.209 282 L HN 0.370 nan 8.230 nan 0.000 0.423 283 T N 1.103 115.660 114.554 0.005 0.000 2.837 283 T HA 0.177 4.527 4.350 -0.000 0.000 0.285 283 T C 0.321 175.013 174.700 -0.014 0.000 0.984 283 T CA -0.260 61.845 62.100 0.009 0.000 1.049 283 T CB 1.462 70.343 68.868 0.021 0.000 0.947 283 T HN 0.494 nan 8.240 nan 0.000 0.472 284 T N 2.195 116.702 114.554 -0.078 0.000 2.926 284 T HA 0.399 4.749 4.350 -0.000 0.000 0.307 284 T C 1.352 176.015 174.700 -0.063 0.000 1.059 284 T CA 1.095 63.113 62.100 -0.137 0.000 1.122 284 T CB 0.160 68.789 68.868 -0.397 0.000 0.972 284 T HN 0.980 nan 8.240 nan 0.000 0.545 285 G N 2.594 111.352 108.800 -0.070 0.000 2.283 285 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.280 285 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.280 285 G C -0.124 174.718 174.900 -0.097 0.000 1.029 285 G CA 0.387 45.436 45.100 -0.085 0.000 0.840 285 G HN 0.618 nan 8.290 nan 0.000 0.505 286 I N -0.973 119.542 120.570 -0.091 0.000 3.102 286 I HA 0.383 4.553 4.170 -0.000 0.000 0.310 286 I C -0.908 175.226 176.117 0.028 0.000 1.246 286 I CA -1.115 60.158 61.300 -0.044 0.000 0.979 286 I CB 1.817 39.821 38.000 0.008 0.000 1.267 286 I HN -0.074 nan 8.210 nan 0.000 0.451 287 D N 3.558 124.029 120.400 0.119 0.000 2.325 287 D HA 0.191 4.831 4.640 -0.000 0.000 0.251 287 D C -0.667 175.751 176.300 0.197 0.000 1.196 287 D CA 0.042 54.226 54.000 0.305 0.000 0.866 287 D CB 0.548 41.502 40.800 0.255 0.000 1.101 287 D HN 0.301 nan 8.370 nan 0.000 0.476 288 N N 2.977 121.813 118.700 0.226 0.000 2.426 288 N HA 0.217 4.957 4.740 -0.000 0.000 0.257 288 N C -0.202 175.397 175.510 0.148 0.000 1.002 288 N CA -0.337 52.797 53.050 0.140 0.000 0.942 288 N CB 1.756 40.310 38.487 0.112 0.000 1.112 288 N HN 0.250 nan 8.380 nan 0.000 0.499 289 L N 2.378 123.657 121.223 0.093 0.000 2.276 289 L HA 0.459 4.798 4.340 -0.000 0.000 0.286 289 L C 0.444 177.353 176.870 0.065 0.000 1.061 289 L CA -0.211 54.684 54.840 0.093 0.000 0.807 289 L CB 1.083 43.182 42.059 0.068 0.000 1.177 289 L HN 0.370 nan 8.230 nan 0.000 0.429 290 M N 7.177 126.843 119.600 0.112 0.000 2.016 290 M HA 0.404 4.884 4.480 -0.000 0.000 0.315 290 M C -2.588 173.749 176.300 0.062 0.000 0.930 290 M CA -1.615 53.709 55.300 0.039 0.000 0.899 290 M CB 1.573 34.230 32.600 0.095 0.000 1.401 290 M HN 0.225 nan 8.290 nan 0.000 0.386 291 P HA 0.354 nan 4.420 nan 0.000 0.278 291 P C -1.411 175.887 177.300 -0.002 0.000 1.258 291 P CA -0.160 63.010 63.100 0.117 0.000 0.811 291 P CB 0.895 32.638 31.700 0.071 0.000 1.063 292 F N 0.828 120.791 119.950 0.022 0.000 2.477 292 F HA 0.383 4.910 4.527 -0.000 0.000 0.335 292 F C 0.327 176.138 175.800 0.017 0.000 1.130 292 F CA -0.303 57.710 58.000 0.020 0.000 0.948 292 F CB 1.157 40.176 39.000 0.031 0.000 1.154 292 F HN 0.169 nan 8.300 nan 0.000 0.439 293 N N 3.934 122.718 118.700 0.140 0.000 2.733 293 N HA 0.377 5.117 4.740 -0.000 0.000 0.271 293 N C -1.519 174.038 175.510 0.078 0.000 1.720 293 N CA -0.244 52.864 53.050 0.096 0.000 0.803 293 N CB 0.746 39.263 38.487 0.050 0.000 1.208 293 N HN 0.345 nan 8.380 nan 0.000 0.498 294 L N 0.208 121.494 121.223 0.106 0.000 2.317 294 L HA 0.725 5.065 4.340 -0.000 0.000 0.281 294 L C -0.443 176.469 176.870 0.070 0.000 1.024 294 L CA -1.214 53.672 54.840 0.076 0.000 0.810 294 L CB 1.709 43.821 42.059 0.089 0.000 1.240 294 L HN -0.056 nan 8.230 nan 0.000 0.427 295 V N 4.260 124.209 119.914 0.057 0.000 2.443 295 V HA 0.370 4.490 4.120 -0.000 0.000 0.293 295 V C -0.416 175.711 176.094 0.054 0.000 1.021 295 V CA -0.309 62.033 62.300 0.070 0.000 0.848 295 V CB 2.073 33.940 31.823 0.073 0.000 0.998 295 V HN 0.448 nan 8.190 nan 0.000 0.424 296 I N 8.937 129.539 120.570 0.053 0.000 2.306 296 I HA 0.410 4.580 4.170 -0.000 0.000 0.288 296 I C -1.981 174.167 176.117 0.052 0.000 1.036 296 I CA -2.140 59.184 61.300 0.039 0.000 1.221 296 I CB 1.660 39.675 38.000 0.027 0.000 1.385 296 I HN 0.416 nan 8.210 nan 0.000 0.472 297 P HA 0.133 nan 4.420 nan 0.000 0.274 297 P C 0.554 177.877 177.300 0.038 0.000 1.231 297 P CA -0.235 62.892 63.100 0.045 0.000 0.790 297 P CB 0.949 32.668 31.700 0.031 0.000 0.951 298 T N 0.953 115.531 114.554 0.041 0.000 2.699 298 T HA -0.155 4.195 4.350 -0.000 0.000 0.268 298 T C 1.632 176.345 174.700 0.023 0.000 1.036 298 T CA 1.988 64.109 62.100 0.034 0.000 1.147 298 T CB -0.864 68.027 68.868 0.039 0.000 0.862 298 T HN 0.633 nan 8.240 nan 0.000 0.446 299 N N 1.500 120.213 118.700 0.022 0.000 2.443 299 N HA -0.149 4.591 4.740 -0.000 0.000 0.184 299 N C 1.327 176.847 175.510 0.017 0.000 1.037 299 N CA 0.992 54.054 53.050 0.020 0.000 0.896 299 N CB -0.238 38.260 38.487 0.018 0.000 0.959 299 N HN 0.508 nan 8.380 nan 0.000 0.442 300 E N 0.107 120.316 120.200 0.015 0.000 2.385 300 E HA 0.194 4.544 4.350 -0.000 0.000 0.194 300 E C 0.119 176.721 176.600 0.003 0.000 1.013 300 E CA -0.056 56.350 56.400 0.010 0.000 0.866 300 E CB 0.298 30.003 29.700 0.009 0.000 0.832 300 E HN 0.400 nan 8.360 nan 0.000 0.500 301 I N 2.199 122.768 120.570 -0.000 0.000 2.347 301 I HA -0.028 4.142 4.170 -0.000 0.000 0.294 301 I C 1.313 177.410 176.117 -0.033 0.000 1.090 301 I CA 0.037 61.325 61.300 -0.019 0.000 1.314 301 I CB 1.088 39.077 38.000 -0.018 0.000 1.423 301 I HN 0.025 nan 8.210 nan 0.000 0.503 302 T N 1.737 116.259 114.554 -0.053 0.000 3.065 302 T HA 0.097 4.447 4.350 -0.000 0.000 0.252 302 T C 0.389 174.958 174.700 -0.219 0.000 1.099 302 T CA -0.013 62.054 62.100 -0.055 0.000 1.063 302 T CB -0.013 68.855 68.868 -0.001 0.000 0.948 302 T HN 0.719 nan 8.240 nan 0.000 0.506 303 Q N -0.433 119.168 119.800 -0.332 0.000 2.578 303 Q HA 0.536 4.876 4.340 -0.000 0.000 0.284 303 Q C -3.497 172.347 176.000 -0.260 0.000 0.960 303 Q CA -2.364 53.061 55.803 -0.630 0.000 0.809 303 Q CB 0.738 28.632 28.738 -1.406 0.000 1.462 303 Q HN -0.113 nan 8.270 nan 0.000 0.392 304 P HA 0.015 nan 4.420 nan 0.000 0.264 304 P C -0.674 176.636 177.300 0.017 0.000 1.183 304 P CA 0.140 63.239 63.100 -0.002 0.000 0.763 304 P CB 0.328 32.108 31.700 0.133 0.000 0.807 305 I N 3.109 123.689 120.570 0.016 0.000 2.365 305 I HA 0.127 4.297 4.170 -0.000 0.000 0.291 305 I C 1.423 177.570 176.117 0.050 0.000 1.004 305 I CA 0.274 61.590 61.300 0.026 0.000 1.311 305 I CB 0.951 38.957 38.000 0.011 0.000 1.401 305 I HN 0.440 nan 8.210 nan 0.000 0.491 306 T N 0.246 114.838 114.554 0.063 0.000 3.043 306 T HA 0.221 4.570 4.350 -0.000 0.000 0.272 306 T C 0.392 175.104 174.700 0.021 0.000 0.990 306 T CA -0.071 62.071 62.100 0.071 0.000 0.897 306 T CB 0.161 69.119 68.868 0.151 0.000 1.111 306 T HN 0.621 nan 8.240 nan 0.000 0.529 307 S N 0.307 116.009 115.700 0.002 0.000 2.588 307 S HA 0.727 5.197 4.470 -0.000 0.000 0.269 307 S C -1.622 172.968 174.600 -0.016 0.000 1.157 307 S CA -1.014 57.174 58.200 -0.021 0.000 0.824 307 S CB 1.850 65.042 63.200 -0.014 0.000 1.126 307 S HN 0.472 nan 8.310 nan 0.000 0.464 308 I N 1.371 121.933 120.570 -0.015 0.000 2.582 308 I HA 0.710 4.880 4.170 -0.000 0.000 0.292 308 I C -1.569 174.497 176.117 -0.086 0.000 1.066 308 I CA -0.694 60.606 61.300 -0.001 0.000 1.053 308 I CB 1.863 39.887 38.000 0.041 0.000 1.241 308 I HN 1.045 nan 8.210 nan 0.000 0.421 309 K N 6.487 126.793 120.400 -0.156 0.000 2.502 309 K HA 0.567 4.887 4.320 -0.000 0.000 0.257 309 K C -2.266 174.132 176.600 -0.335 0.000 0.938 309 K CA -0.908 55.126 56.287 -0.422 0.000 0.819 309 K CB 2.508 34.846 32.500 -0.268 0.000 1.333 309 K HN 0.466 nan 8.250 nan 0.000 0.434 310 L N 1.393 122.240 121.223 -0.626 0.000 2.313 310 L HA 0.456 4.796 4.340 -0.000 0.000 0.283 310 L C -1.016 175.828 176.870 -0.044 0.000 1.013 310 L CA -0.017 54.704 54.840 -0.198 0.000 0.816 310 L CB 1.688 43.690 42.059 -0.096 0.000 1.236 310 L HN 0.828 nan 8.230 nan 0.000 0.419 311 E N 4.860 125.132 120.200 0.120 0.000 2.183 311 E HA 0.581 4.931 4.350 -0.000 0.000 0.271 311 E C -1.269 175.397 176.600 0.110 0.000 0.919 311 E CA -0.535 55.942 56.400 0.127 0.000 0.781 311 E CB 1.878 31.721 29.700 0.239 0.000 1.140 311 E HN 0.556 nan 8.360 nan 0.000 0.402 312 I N 2.829 123.459 120.570 0.100 0.000 2.498 312 I HA 0.302 4.472 4.170 -0.000 0.000 0.290 312 I C -0.916 175.230 176.117 0.049 0.000 1.032 312 I CA -0.990 60.356 61.300 0.077 0.000 1.073 312 I CB 2.089 40.178 38.000 0.148 0.000 1.251 312 I HN 0.186 nan 8.210 nan 0.000 0.426 313 V N 4.600 124.519 119.914 0.008 0.000 2.357 313 V HA 0.353 4.473 4.120 -0.000 0.000 0.284 313 V C 0.018 176.111 176.094 -0.002 0.000 1.018 313 V CA -0.404 61.901 62.300 0.008 0.000 0.841 313 V CB 1.628 33.456 31.823 0.007 0.000 0.991 313 V HN 0.719 nan 8.190 nan 0.000 0.437 314 T N 4.289 118.861 114.554 0.030 0.000 2.799 314 T HA 0.583 4.933 4.350 -0.000 0.000 0.286 314 T C 0.049 174.823 174.700 0.123 0.000 0.973 314 T CA -0.298 61.867 62.100 0.108 0.000 1.035 314 T CB 1.187 70.178 68.868 0.205 0.000 0.932 314 T HN 0.881 nan 8.240 nan 0.000 0.469 315 S N 2.672 118.442 115.700 0.117 0.000 2.569 315 S HA 0.649 5.118 4.470 -0.000 0.000 0.280 315 S C -1.135 173.569 174.600 0.172 0.000 1.111 315 S CA -1.106 57.170 58.200 0.126 0.000 0.887 315 S CB 1.969 65.215 63.200 0.076 0.000 1.095 315 S HN 0.593 nan 8.310 nan 0.000 0.476 316 K N 1.864 122.418 120.400 0.258 0.000 2.464 316 K HA 0.384 4.704 4.320 -0.000 0.000 0.252 316 K C 1.263 178.001 176.600 0.231 0.000 1.000 316 K CA -0.240 56.197 56.287 0.248 0.000 0.951 316 K CB 0.938 33.616 32.500 0.297 0.000 1.183 316 K HN 0.817 nan 8.250 nan 0.000 0.445 317 S N 2.572 118.353 115.700 0.135 0.000 2.378 317 S HA -0.147 4.323 4.470 -0.000 0.000 0.221 317 S C 1.272 175.911 174.600 0.066 0.000 1.037 317 S CA 1.176 59.436 58.200 0.101 0.000 1.069 317 S CB -0.591 62.645 63.200 0.060 0.000 1.006 317 S HN 0.630 nan 8.310 nan 0.000 0.423 318 G N 1.797 110.610 108.800 0.022 0.000 3.506 318 G HA2 0.553 4.513 3.960 -0.000 0.000 0.268 318 G HA3 0.553 4.513 3.960 -0.000 0.000 0.268 318 G C 0.041 174.873 174.900 -0.113 0.000 0.959 318 G CA -0.140 44.940 45.100 -0.032 0.000 1.823 318 G HN 0.754 nan 8.290 nan 0.000 0.615 319 G N 0.055 108.700 108.800 -0.258 0.000 2.511 319 G HA2 0.656 4.616 3.960 -0.000 0.000 0.318 319 G HA3 0.656 4.616 3.960 -0.000 0.000 0.318 319 G C -0.634 173.704 174.900 -0.936 0.000 1.210 319 G CA -0.704 44.034 45.100 -0.604 0.000 0.969 319 G HN 0.619 nan 8.290 nan 0.000 0.484 320 Q N -0.138 119.199 119.800 -0.772 0.000 2.423 320 Q HA 0.677 5.017 4.340 -0.000 0.000 0.278 320 Q C -0.289 175.557 176.000 -0.256 0.000 1.097 320 Q CA -0.948 54.579 55.803 -0.461 0.000 0.809 320 Q CB 2.107 30.725 28.738 -0.199 0.000 1.391 320 Q HN 0.918 nan 8.270 nan 0.000 0.428 321 A N 0.680 123.503 122.820 0.005 0.000 2.598 321 A HA 0.356 4.676 4.320 -0.000 0.000 0.239 321 A C 1.256 178.886 177.584 0.075 0.000 1.032 321 A CA 1.387 53.514 52.037 0.150 0.000 0.760 321 A CB -1.076 17.989 19.000 0.108 0.000 0.946 321 A HN 1.746 nan 8.150 nan 0.000 0.512 322 G N 1.764 110.627 108.800 0.105 0.000 2.254 322 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.225 322 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.225 322 G C 0.018 174.951 174.900 0.055 0.000 1.003 322 G CA 0.236 45.370 45.100 0.057 0.000 0.622 322 G HN 0.845 nan 8.290 nan 0.000 0.507 323 D N 2.114 122.556 120.400 0.070 0.000 2.401 323 D HA 0.351 4.991 4.640 -0.000 0.000 0.254 323 D C 0.516 176.881 176.300 0.109 0.000 1.192 323 D CA 0.506 54.545 54.000 0.065 0.000 0.885 323 D CB 0.742 41.549 40.800 0.011 0.000 1.147 323 D HN 0.214 nan 8.370 nan 0.000 0.478 324 Q N 2.376 122.211 119.800 0.058 0.000 2.279 324 Q HA 0.300 4.640 4.340 -0.000 0.000 0.256 324 Q C 0.077 176.107 176.000 0.050 0.000 0.937 324 Q CA -0.075 55.744 55.803 0.027 0.000 0.933 324 Q CB 1.514 30.241 28.738 -0.019 0.000 1.189 324 Q HN 0.388 nan 8.270 nan 0.000 0.417 325 M N 1.866 121.498 119.600 0.054 0.000 2.180 325 M HA 0.356 4.836 4.480 -0.000 0.000 0.350 325 M C -0.292 176.011 176.300 0.006 0.000 1.125 325 M CA -0.278 55.102 55.300 0.135 0.000 1.031 325 M CB 1.604 34.370 32.600 0.278 0.000 1.623 325 M HN 0.681 nan 8.290 nan 0.000 0.451 326 S N 3.377 119.124 115.700 0.078 0.000 2.565 326 S HA 0.859 5.329 4.470 -0.000 0.000 0.269 326 S C -1.836 172.882 174.600 0.197 0.000 1.153 326 S CA -0.900 57.265 58.200 -0.059 0.000 0.835 326 S CB 1.949 65.065 63.200 -0.141 0.000 1.122 326 S HN 0.943 nan 8.310 nan 0.000 0.462 327 W N -0.035 121.432 121.300 0.278 0.000 3.161 327 W HA 0.637 5.297 4.660 -0.000 0.000 0.314 327 W C -1.464 175.179 176.519 0.206 0.000 1.245 327 W CA -0.597 56.905 57.345 0.263 0.000 1.191 327 W CB 0.626 30.302 29.460 0.359 0.000 1.392 327 W HN 1.072 nan 8.180 nan 0.000 0.568 328 S N 1.156 117.214 115.700 0.596 0.000 2.532 328 S HA 0.911 5.381 4.470 -0.000 0.000 0.301 328 S C -0.714 174.075 174.600 0.316 0.000 1.083 328 S CA -0.542 57.883 58.200 0.374 0.000 1.025 328 S CB 2.236 65.557 63.200 0.202 0.000 1.056 328 S HN 1.210 nan 8.310 nan 0.000 0.494 329 A N 1.490 124.423 122.820 0.189 0.000 2.475 329 A HA 0.895 5.215 4.320 -0.000 0.000 0.301 329 A C -0.514 176.995 177.584 -0.124 0.000 1.059 329 A CA -0.764 51.154 52.037 -0.198 0.000 0.710 329 A CB 1.850 20.547 19.000 -0.506 0.000 1.288 329 A HN 0.818 nan 8.150 nan 0.000 0.408 330 S N -0.805 114.752 115.700 -0.238 0.000 2.540 330 S HA 0.914 5.384 4.470 -0.000 0.000 0.275 330 S C -0.270 174.241 174.600 -0.148 0.000 1.123 330 S CA 0.069 58.184 58.200 -0.140 0.000 0.907 330 S CB 2.012 65.142 63.200 -0.116 0.000 1.081 330 S HN 2.170 nan 8.310 nan 0.000 0.476 331 G N 1.043 109.779 108.800 -0.107 0.000 2.340 331 G HA2 0.494 4.454 3.960 -0.000 0.000 0.298 331 G HA3 0.494 4.454 3.960 -0.000 0.000 0.298 331 G C -1.680 173.149 174.900 -0.119 0.000 1.498 331 G CA -0.522 44.521 45.100 -0.095 0.000 0.847 331 G HN 0.654 nan 8.290 nan 0.000 0.594 332 S N -0.843 114.781 115.700 -0.126 0.000 2.548 332 S HA 0.843 5.313 4.470 -0.000 0.000 0.286 332 S C -0.475 173.992 174.600 -0.220 0.000 1.098 332 S CA -0.647 57.451 58.200 -0.170 0.000 0.930 332 S CB 1.509 64.635 63.200 -0.122 0.000 1.070 332 S HN 0.637 nan 8.310 nan 0.000 0.480 333 L N 1.366 122.427 121.223 -0.270 0.000 2.323 333 L HA 0.934 5.274 4.340 -0.000 0.000 0.265 333 L C -0.478 176.291 176.870 -0.168 0.000 1.012 333 L CA -1.087 53.572 54.840 -0.301 0.000 0.820 333 L CB 1.853 43.652 42.059 -0.433 0.000 1.334 333 L HN 0.715 nan 8.230 nan 0.000 0.427 334 A N 1.543 124.296 122.820 -0.113 0.000 2.332 334 A HA 0.722 5.042 4.320 -0.000 0.000 0.300 334 A C -0.967 176.610 177.584 -0.012 0.000 1.153 334 A CA -0.461 51.549 52.037 -0.045 0.000 0.764 334 A CB 1.421 20.401 19.000 -0.032 0.000 1.174 334 A HN 0.351 nan 8.150 nan 0.000 0.467 335 V N 2.747 122.687 119.914 0.044 0.000 2.350 335 V HA 0.439 4.559 4.120 -0.000 0.000 0.276 335 V C 0.144 176.278 176.094 0.067 0.000 1.028 335 V CA -0.194 62.150 62.300 0.073 0.000 0.860 335 V CB 1.331 33.234 31.823 0.134 0.000 0.990 335 V HN 0.863 nan 8.190 nan 0.000 0.453 336 T N 6.589 121.127 114.554 -0.027 0.000 2.756 336 T HA 0.500 4.850 4.350 -0.000 0.000 0.290 336 T C -0.117 174.447 174.700 -0.226 0.000 0.985 336 T CA -0.279 61.756 62.100 -0.109 0.000 0.955 336 T CB 0.569 69.360 68.868 -0.127 0.000 0.930 336 T HN 0.325 nan 8.240 nan 0.000 0.451 337 I N 3.991 124.486 120.570 -0.124 0.000 2.291 337 I HA 0.199 4.369 4.170 -0.000 0.000 0.290 337 I C 0.659 176.724 176.117 -0.087 0.000 1.050 337 I CA -0.831 60.408 61.300 -0.101 0.000 1.245 337 I CB -0.507 37.508 38.000 0.023 0.000 1.405 337 I HN 0.678 nan 8.210 nan 0.000 0.478 338 H N 4.713 123.801 119.070 0.031 0.000 3.070 338 H HA 0.202 4.758 4.556 -0.000 0.000 0.313 338 H C 1.456 176.789 175.328 0.009 0.000 0.997 338 H CA 0.953 57.011 56.048 0.016 0.000 1.438 338 H CB 0.417 30.186 29.762 0.012 0.000 1.455 338 H HN 0.965 nan 8.280 nan 0.000 0.575 339 G N 2.583 111.460 108.800 0.129 0.000 2.175 339 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.265 339 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.265 339 G C 1.582 176.528 174.900 0.077 0.000 0.979 339 G CA 0.626 45.770 45.100 0.074 0.000 0.663 339 G HN 0.917 nan 8.290 nan 0.000 0.533 340 G N 0.343 109.178 108.800 0.058 0.000 2.469 340 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.220 340 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.220 340 G C 1.313 176.233 174.900 0.034 0.000 1.136 340 G CA 1.359 46.483 45.100 0.041 0.000 0.759 340 G HN 0.535 nan 8.290 nan 0.000 0.562 341 N N -0.767 117.947 118.700 0.024 0.000 2.383 341 N HA 0.056 4.796 4.740 -0.000 0.000 0.192 341 N C -0.292 175.238 175.510 0.033 0.000 1.141 341 N CA -0.410 52.642 53.050 0.003 0.000 0.851 341 N CB -0.094 38.375 38.487 -0.030 0.000 0.976 341 N HN 0.435 nan 8.380 nan 0.000 0.465 342 Y N 2.750 123.025 120.300 -0.041 0.000 2.569 342 Y HA 0.164 4.714 4.550 -0.000 0.000 0.332 342 Y C -2.115 173.755 175.900 -0.050 0.000 1.120 342 Y CA -2.149 55.924 58.100 -0.046 0.000 1.416 342 Y CB 0.503 38.927 38.460 -0.060 0.000 1.210 342 Y HN -0.009 nan 8.280 nan 0.000 0.528 343 P HA 0.066 nan 4.420 nan 0.000 0.256 343 P C 0.514 177.692 177.300 -0.204 0.000 1.173 343 P CA 2.058 64.969 63.100 -0.314 0.000 0.768 343 P CB 0.284 31.761 31.700 -0.372 0.000 0.758 344 G N 3.212 112.000 108.800 -0.021 0.000 2.259 344 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.217 344 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.217 344 G C 1.147 176.144 174.900 0.162 0.000 1.001 344 G CA 0.295 45.450 45.100 0.091 0.000 0.627 344 G HN 0.620 nan 8.290 nan 0.000 0.501 345 A N -0.306 122.590 122.820 0.127 0.000 1.968 345 A HA 0.579 4.899 4.320 -0.000 0.000 0.217 345 A C 2.225 179.890 177.584 0.135 0.000 1.169 345 A CA 1.941 54.019 52.037 0.069 0.000 0.638 345 A CB -0.169 18.858 19.000 0.045 0.000 0.812 345 A HN 0.842 nan 8.150 nan 0.000 0.446 346 L N -2.318 118.974 121.223 0.116 0.000 2.885 346 L HA 0.211 4.551 4.340 -0.000 0.000 0.251 346 L C 0.746 177.718 176.870 0.170 0.000 1.071 346 L CA -0.069 54.835 54.840 0.107 0.000 0.956 346 L CB 0.343 42.452 42.059 0.083 0.000 1.483 346 L HN 0.439 nan 8.230 nan 0.000 0.525 347 R N 0.779 121.350 120.500 0.119 0.000 2.807 347 R HA 0.587 4.927 4.340 -0.000 0.000 0.276 347 R C -2.979 173.367 176.300 0.076 0.000 0.979 347 R CA -1.706 54.445 56.100 0.086 0.000 0.928 347 R CB 1.724 32.015 30.300 -0.016 0.000 1.191 347 R HN -0.279 nan 8.270 nan 0.000 0.471 348 P HA 0.269 nan 4.420 nan 0.000 0.297 348 P C -0.869 176.533 177.300 0.169 0.000 1.307 348 P CA -0.610 62.524 63.100 0.056 0.000 0.773 348 P CB 1.094 32.798 31.700 0.005 0.000 1.265 349 V N -0.593 119.429 119.914 0.182 0.000 2.709 349 V HA 0.360 4.480 4.120 -0.000 0.000 0.308 349 V C -0.193 175.982 176.094 0.136 0.000 1.062 349 V CA -0.290 62.120 62.300 0.184 0.000 0.901 349 V CB 2.166 34.123 31.823 0.223 0.000 1.003 349 V HN 0.533 nan 8.190 nan 0.000 0.425 350 T N 6.189 120.798 114.554 0.091 0.000 2.770 350 T HA 0.600 4.950 4.350 -0.000 0.000 0.283 350 T C -0.541 174.206 174.700 0.078 0.000 0.988 350 T CA -0.299 61.862 62.100 0.102 0.000 0.957 350 T CB 0.694 69.635 68.868 0.122 0.000 0.930 350 T HN 0.315 nan 8.240 nan 0.000 0.443 351 L N 3.528 124.768 121.223 0.029 0.000 2.307 351 L HA 0.632 4.972 4.340 -0.000 0.000 0.284 351 L C -0.511 176.379 176.870 0.034 0.000 1.023 351 L CA -1.075 53.746 54.840 -0.031 0.000 0.810 351 L CB 1.741 43.740 42.059 -0.099 0.000 1.231 351 L HN 0.326 nan 8.230 nan 0.000 0.423 352 V N 2.896 122.843 119.914 0.055 0.000 2.326 352 V HA 0.541 4.661 4.120 -0.000 0.000 0.281 352 V C 0.296 176.473 176.094 0.137 0.000 1.015 352 V CA -0.443 61.935 62.300 0.130 0.000 0.823 352 V CB 1.420 33.391 31.823 0.247 0.000 1.009 352 V HN 0.874 nan 8.190 nan 0.000 0.436 353 A N 5.523 128.419 122.820 0.127 0.000 2.325 353 A HA 0.957 5.277 4.320 -0.000 0.000 0.333 353 A C -0.996 176.833 177.584 0.410 0.000 1.155 353 A CA -0.483 51.662 52.037 0.180 0.000 0.814 353 A CB 1.059 20.145 19.000 0.142 0.000 1.206 353 A HN 1.024 nan 8.150 nan 0.000 0.482 354 Y N -0.513 119.990 120.300 0.338 0.000 2.512 354 Y HA 0.755 5.305 4.550 -0.000 0.000 0.348 354 Y C -0.525 175.422 175.900 0.079 0.000 0.990 354 Y CA -1.034 57.216 58.100 0.251 0.000 1.033 354 Y CB 1.302 39.853 38.460 0.152 0.000 1.259 354 Y HN 0.863 nan 8.280 nan 0.000 0.461 355 E N 1.316 121.532 120.200 0.026 0.000 2.413 355 E HA 0.617 4.967 4.350 -0.000 0.000 0.277 355 E C -0.646 175.904 176.600 -0.085 0.000 0.958 355 E CA -1.368 54.936 56.400 -0.160 0.000 0.779 355 E CB 1.595 30.971 29.700 -0.541 0.000 1.278 355 E HN 0.567 nan 8.360 nan 0.000 0.456 356 R N -0.850 119.620 120.500 -0.051 0.000 3.878 356 R HA -0.098 4.242 4.340 -0.000 0.000 0.330 356 R C -0.604 175.710 176.300 0.022 0.000 1.186 356 R CA 0.753 56.837 56.100 -0.026 0.000 0.885 356 R CB -2.841 27.425 30.300 -0.057 0.000 1.377 356 R HN 0.473 nan 8.270 nan 0.000 0.523 357 V N 1.057 121.017 119.914 0.077 0.000 2.607 357 V HA 0.535 4.654 4.120 -0.000 0.000 0.289 357 V C 1.390 177.511 176.094 0.045 0.000 1.053 357 V CA -0.291 62.044 62.300 0.058 0.000 0.996 357 V CB 1.714 33.571 31.823 0.057 0.000 0.995 357 V HN 0.380 nan 8.190 nan 0.000 0.476 358 A N 3.644 126.477 122.820 0.021 0.000 2.546 358 A HA 0.306 4.626 4.320 -0.000 0.000 0.243 358 A C 0.795 178.393 177.584 0.025 0.000 1.063 358 A CA 0.053 52.100 52.037 0.017 0.000 0.757 358 A CB -0.430 18.574 19.000 0.008 0.000 0.991 358 A HN 0.892 nan 8.150 nan 0.000 0.503 359 T N 1.903 116.474 114.554 0.028 0.000 2.946 359 T HA 0.402 4.752 4.350 -0.000 0.000 0.311 359 T C 1.596 176.311 174.700 0.025 0.000 1.063 359 T CA 1.312 63.433 62.100 0.035 0.000 1.139 359 T CB 0.559 69.444 68.868 0.028 0.000 0.994 359 T HN 2.069 nan 8.240 nan 0.000 0.547 360 G N 2.604 111.422 108.800 0.029 0.000 2.179 360 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.260 360 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.260 360 G C 0.444 175.348 174.900 0.007 0.000 0.977 360 G CA 0.158 45.269 45.100 0.019 0.000 0.641 360 G HN 0.816 nan 8.290 nan 0.000 0.533 361 S N -0.859 114.841 115.700 0.000 0.000 2.600 361 S HA 0.528 4.998 4.470 -0.000 0.000 0.265 361 S C 0.469 175.049 174.600 -0.035 0.000 1.325 361 S CA -0.078 58.110 58.200 -0.020 0.000 1.002 361 S CB 2.100 65.279 63.200 -0.034 0.000 0.921 361 S HN 0.706 nan 8.310 nan 0.000 0.554 362 V N 2.085 121.971 119.914 -0.046 0.000 2.398 362 V HA 0.334 4.454 4.120 -0.000 0.000 0.286 362 V C -0.307 175.729 176.094 -0.097 0.000 1.026 362 V CA -0.570 61.697 62.300 -0.056 0.000 0.868 362 V CB 1.581 33.384 31.823 -0.034 0.000 0.982 362 V HN 0.617 nan 8.190 nan 0.000 0.443 363 V N 4.624 124.450 119.914 -0.146 0.000 2.333 363 V HA 0.324 4.444 4.120 -0.000 0.000 0.274 363 V C 0.403 176.426 176.094 -0.118 0.000 1.028 363 V CA -0.129 62.052 62.300 -0.197 0.000 0.851 363 V CB 1.917 33.504 31.823 -0.393 0.000 1.000 363 V HN 0.973 nan 8.190 nan 0.000 0.456 364 T N 5.530 120.045 114.554 -0.065 0.000 2.771 364 T HA 0.493 4.843 4.350 -0.000 0.000 0.291 364 T C -0.169 174.541 174.700 0.018 0.000 0.954 364 T CA -0.188 61.903 62.100 -0.015 0.000 1.045 364 T CB 1.268 70.129 68.868 -0.011 0.000 0.917 364 T HN 0.329 nan 8.240 nan 0.000 0.484 365 V N 2.645 122.601 119.914 0.070 0.000 2.513 365 V HA 0.859 4.979 4.120 -0.000 0.000 0.299 365 V C -0.061 176.102 176.094 0.115 0.000 1.035 365 V CA -0.789 61.585 62.300 0.123 0.000 0.889 365 V CB 1.498 33.448 31.823 0.211 0.000 0.988 365 V HN 1.066 nan 8.190 nan 0.000 0.440 366 A N 3.175 126.038 122.820 0.072 0.000 2.465 366 A HA 0.954 5.274 4.320 -0.000 0.000 0.292 366 A C -0.255 177.335 177.584 0.009 0.000 1.041 366 A CA 0.138 52.201 52.037 0.043 0.000 0.718 366 A CB 1.798 20.808 19.000 0.015 0.000 1.266 366 A HN 1.342 nan 8.150 nan 0.000 0.403 367 G N -0.391 108.420 108.800 0.018 0.000 2.600 367 G HA2 0.686 4.646 3.960 -0.000 0.000 0.293 367 G HA3 0.686 4.646 3.960 -0.000 0.000 0.293 367 G C -1.751 173.148 174.900 -0.001 0.000 1.408 367 G CA -0.277 44.810 45.100 -0.023 0.000 0.782 367 G HN 1.383 nan 8.290 nan 0.000 0.482 368 V N -0.186 119.709 119.914 -0.032 0.000 2.760 368 V HA 0.747 4.867 4.120 -0.000 0.000 0.309 368 V C -0.319 175.737 176.094 -0.063 0.000 1.077 368 V CA -0.832 61.456 62.300 -0.020 0.000 0.910 368 V CB 1.883 33.688 31.823 -0.029 0.000 1.008 368 V HN 0.757 nan 8.190 nan 0.000 0.424 369 S N 3.451 119.116 115.700 -0.058 0.000 2.519 369 S HA 0.566 5.036 4.470 -0.000 0.000 0.309 369 S C -0.684 173.642 174.600 -0.456 0.000 1.100 369 S CA -0.757 57.280 58.200 -0.272 0.000 1.059 369 S CB 1.072 64.185 63.200 -0.144 0.000 1.008 369 S HN 0.763 nan 8.310 nan 0.000 0.478 370 N N 2.208 120.546 118.700 -0.604 0.000 2.372 370 N HA 0.619 5.359 4.740 -0.000 0.000 0.291 370 N C -1.352 173.801 175.510 -0.595 0.000 1.024 370 N CA -0.190 52.622 53.050 -0.396 0.000 0.873 370 N CB 1.262 39.650 38.487 -0.165 0.000 1.206 370 N HN 0.381 nan 8.380 nan 0.000 0.486 371 F N -0.214 119.750 119.950 0.024 0.000 2.620 371 F HA 0.406 4.933 4.527 -0.000 0.000 0.320 371 F C 0.544 176.353 175.800 0.014 0.000 1.069 371 F CA -0.905 57.095 58.000 0.000 0.000 0.953 371 F CB 1.719 40.694 39.000 -0.041 0.000 1.322 371 F HN 0.126 nan 8.300 nan 0.000 0.479 372 E N 1.871 122.187 120.200 0.192 0.000 2.166 372 E HA 0.694 5.044 4.350 -0.000 0.000 0.275 372 E C -1.301 175.443 176.600 0.239 0.000 0.941 372 E CA -0.533 55.958 56.400 0.151 0.000 0.784 372 E CB 2.019 31.592 29.700 -0.211 0.000 1.115 372 E HN 0.425 nan 8.360 nan 0.000 0.399 373 L N 3.162 124.565 121.223 0.299 0.000 2.376 373 L HA 0.582 4.922 4.340 -0.000 0.000 0.258 373 L C -0.741 176.323 176.870 0.323 0.000 1.013 373 L CA -0.872 54.100 54.840 0.220 0.000 0.822 373 L CB 2.054 43.955 42.059 -0.263 0.000 1.388 373 L HN 0.433 nan 8.230 nan 0.000 0.413 374 I N 3.314 124.089 120.570 0.342 0.000 2.382 374 I HA 0.337 4.507 4.170 -0.000 0.000 0.286 374 I C -2.221 174.123 176.117 0.378 0.000 1.002 374 I CA -1.891 59.577 61.300 0.279 0.000 1.135 374 I CB 2.171 40.282 38.000 0.186 0.000 1.288 374 I HN 0.250 nan 8.210 nan 0.000 0.448 375 P HA 0.048 nan 4.420 nan 0.000 0.272 375 P C -0.958 176.359 177.300 0.027 0.000 1.223 375 P CA -0.325 62.839 63.100 0.107 0.000 0.784 375 P CB 0.524 32.225 31.700 0.002 0.000 0.923 376 N N 2.203 120.853 118.700 -0.083 0.000 2.317 376 N HA 0.094 4.834 4.740 -0.000 0.000 0.245 376 N C -1.973 173.511 175.510 -0.043 0.000 1.294 376 N CA -1.670 51.351 53.050 -0.048 0.000 0.924 376 N CB -1.530 36.908 38.487 -0.081 0.000 1.186 376 N HN 0.154 nan 8.380 nan 0.000 0.495 377 P HA -0.153 nan 4.420 nan 0.000 0.216 377 P C 1.044 178.323 177.300 -0.036 0.000 1.153 377 P CA 1.518 64.605 63.100 -0.023 0.000 0.858 377 P CB 0.170 31.860 31.700 -0.016 0.000 0.789 378 E N -0.629 119.542 120.200 -0.048 0.000 2.047 378 E HA -0.149 4.201 4.350 -0.000 0.000 0.191 378 E C 1.767 178.331 176.600 -0.061 0.000 0.987 378 E CA 0.864 57.235 56.400 -0.049 0.000 0.799 378 E CB -1.192 28.477 29.700 -0.051 0.000 0.752 378 E HN 0.011 nan 8.360 nan 0.000 0.449 379 L N 0.041 121.207 121.223 -0.094 0.000 2.201 379 L HA 0.072 4.412 4.340 -0.000 0.000 0.212 379 L C 1.975 178.802 176.870 -0.071 0.000 1.105 379 L CA 1.750 56.523 54.840 -0.112 0.000 0.775 379 L CB -0.706 41.219 42.059 -0.224 0.000 0.913 379 L HN 0.158 nan 8.230 nan 0.000 0.440 380 A N -0.880 121.909 122.820 -0.052 0.000 2.070 380 A HA -0.208 4.112 4.320 -0.000 0.000 0.220 380 A C 2.251 179.822 177.584 -0.021 0.000 1.159 380 A CA 1.527 53.549 52.037 -0.025 0.000 0.656 380 A CB -0.494 18.497 19.000 -0.015 0.000 0.800 380 A HN 0.496 nan 8.150 nan 0.000 0.453 381 K N -0.520 119.865 120.400 -0.025 0.000 2.362 381 K HA -0.011 4.309 4.320 -0.000 0.000 0.200 381 K C 0.612 177.202 176.600 -0.016 0.000 1.046 381 K CA 1.031 57.306 56.287 -0.020 0.000 0.952 381 K CB 0.032 32.519 32.500 -0.020 0.000 0.753 381 K HN 0.433 nan 8.250 nan 0.000 0.466 382 N N -0.353 118.336 118.700 -0.018 0.000 2.118 382 N HA 0.086 4.826 4.740 -0.000 0.000 0.226 382 N C -0.786 174.722 175.510 -0.003 0.000 1.305 382 N CA 0.009 53.053 53.050 -0.011 0.000 0.890 382 N CB 1.183 39.662 38.487 -0.013 0.000 1.118 382 N HN 0.028 nan 8.380 nan 0.000 0.511 383 L N 2.022 123.244 121.223 -0.002 0.000 2.295 383 L HA 0.391 4.731 4.340 -0.000 0.000 0.281 383 L C -0.400 176.479 176.870 0.014 0.000 1.018 383 L CA -0.451 54.400 54.840 0.018 0.000 0.841 383 L CB 1.775 43.854 42.059 0.034 0.000 1.218 383 L HN -0.287 nan 8.230 nan 0.000 0.424 384 V N 3.223 123.142 119.914 0.009 0.000 2.715 384 V HA 0.234 4.354 4.120 -0.000 0.000 0.299 384 V C 0.600 176.683 176.094 -0.019 0.000 1.054 384 V CA 0.072 62.367 62.300 -0.009 0.000 1.077 384 V CB 1.527 33.344 31.823 -0.009 0.000 0.972 384 V HN 0.867 nan 8.190 nan 0.000 0.484 385 T N 2.611 117.134 114.554 -0.052 0.000 2.887 385 T HA 0.806 5.156 4.350 -0.000 0.000 0.288 385 T C -0.824 173.777 174.700 -0.164 0.000 1.021 385 T CA -0.911 61.132 62.100 -0.095 0.000 1.000 385 T CB 2.270 71.083 68.868 -0.093 0.000 1.034 385 T HN 0.713 nan 8.240 nan 0.000 0.467 386 E N 0.553 120.608 120.200 -0.241 0.000 2.456 386 E HA 0.302 4.652 4.350 -0.000 0.000 0.276 386 E C -0.501 175.906 176.600 -0.321 0.000 0.981 386 E CA -1.035 55.219 56.400 -0.244 0.000 0.814 386 E CB 1.230 30.859 29.700 -0.119 0.000 1.382 386 E HN 0.620 nan 8.360 nan 0.000 0.459 387 Y N 0.835 121.094 120.300 -0.068 0.000 2.457 387 Y HA 0.162 4.712 4.550 -0.000 0.000 0.292 387 Y C 1.185 177.104 175.900 0.031 0.000 1.125 387 Y CA 1.274 59.377 58.100 0.005 0.000 1.254 387 Y CB 0.563 39.041 38.460 0.030 0.000 1.012 387 Y HN 0.796 nan 8.280 nan 0.000 0.555 388 G N 1.427 110.294 108.800 0.112 0.000 3.190 388 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.686 388 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.686 388 G C -0.513 174.490 174.900 0.171 0.000 1.033 388 G CA -0.548 44.627 45.100 0.126 0.000 0.797 388 G HN 0.504 nan 8.290 nan 0.000 0.567 389 R N 1.457 122.037 120.500 0.134 0.000 2.543 389 R HA 0.074 4.414 4.340 -0.000 0.000 0.280 389 R C -0.023 176.386 176.300 0.182 0.000 0.885 389 R CA 0.169 56.349 56.100 0.133 0.000 1.130 389 R CB 0.094 30.445 30.300 0.086 0.000 0.871 389 R HN 1.202 nan 8.270 nan 0.000 0.424 390 F N 4.155 124.125 119.950 0.034 0.000 2.427 390 F HA 0.249 4.776 4.527 -0.000 0.000 0.352 390 F C -0.472 175.338 175.800 0.018 0.000 1.100 390 F CA -1.003 57.009 58.000 0.020 0.000 1.191 390 F CB 0.968 39.973 39.000 0.008 0.000 1.128 390 F HN 0.689 nan 8.300 nan 0.000 0.533 391 D N 8.715 128.753 120.400 -0.604 0.000 2.363 391 D HA 0.209 4.849 4.640 -0.000 0.000 0.258 391 D C -1.926 173.975 176.300 -0.665 0.000 1.259 391 D CA -1.256 52.403 54.000 -0.567 0.000 0.921 391 D CB 1.698 42.380 40.800 -0.197 0.000 1.201 391 D HN 0.265 nan 8.370 nan 0.000 0.524 392 P HA -0.162 nan 4.420 nan 0.000 0.222 392 P C 1.164 178.377 177.300 -0.145 0.000 1.157 392 P CA 1.269 64.069 63.100 -0.500 0.000 0.905 392 P CB 0.338 31.832 31.700 -0.343 0.000 0.792 393 G N -2.245 106.477 108.800 -0.130 0.000 3.277 393 G HA2 0.287 4.246 3.960 -0.000 0.000 0.243 393 G HA3 0.287 4.246 3.960 -0.000 0.000 0.243 393 G C 1.343 176.269 174.900 0.043 0.000 1.107 393 G CA 0.500 45.590 45.100 -0.017 0.000 0.771 393 G HN 0.340 nan 8.290 nan 0.000 0.544 394 A N 0.828 123.651 122.820 0.005 0.000 1.902 394 A HA -0.049 4.271 4.320 -0.000 0.000 0.217 394 A C 2.177 179.842 177.584 0.134 0.000 1.181 394 A CA 2.056 54.148 52.037 0.092 0.000 0.623 394 A CB -0.236 18.792 19.000 0.047 0.000 0.818 394 A HN 0.396 nan 8.150 nan 0.000 0.443 395 M N 0.316 119.946 119.600 0.050 0.000 2.132 395 M HA -0.059 4.421 4.480 -0.000 0.000 0.263 395 M C 1.423 177.786 176.300 0.104 0.000 1.065 395 M CA 1.657 56.982 55.300 0.041 0.000 1.122 395 M CB -0.908 31.690 32.600 -0.004 0.000 1.365 395 M HN 0.367 nan 8.290 nan 0.000 0.411 396 N N -0.975 117.790 118.700 0.109 0.000 2.166 396 N HA -0.172 4.568 4.740 -0.000 0.000 0.186 396 N C 1.658 177.252 175.510 0.140 0.000 1.019 396 N CA 1.224 54.342 53.050 0.112 0.000 0.856 396 N CB -0.533 38.017 38.487 0.104 0.000 0.993 396 N HN 0.507 nan 8.380 nan 0.000 0.426 397 Y N 1.569 121.910 120.300 0.069 0.000 2.263 397 Y HA -0.098 4.452 4.550 -0.000 0.000 0.292 397 Y C 2.252 178.227 175.900 0.125 0.000 1.130 397 Y CA 1.310 59.460 58.100 0.085 0.000 1.179 397 Y CB -0.443 38.064 38.460 0.078 0.000 0.998 397 Y HN 0.008 nan 8.280 nan 0.000 0.532 398 T N 0.195 114.865 114.554 0.192 0.000 2.708 398 T HA -0.182 4.168 4.350 -0.000 0.000 0.266 398 T C 1.829 176.596 174.700 0.112 0.000 1.037 398 T CA 1.827 64.048 62.100 0.201 0.000 1.146 398 T CB -0.168 68.907 68.868 0.344 0.000 0.865 398 T HN 0.259 nan 8.240 nan 0.000 0.435 399 K N 0.492 120.953 120.400 0.102 0.000 2.063 399 K HA -0.058 4.262 4.320 -0.000 0.000 0.208 399 K C 2.227 178.833 176.600 0.010 0.000 1.048 399 K CA 0.962 57.289 56.287 0.066 0.000 0.928 399 K CB -0.408 32.131 32.500 0.065 0.000 0.713 399 K HN 0.139 nan 8.250 nan 0.000 0.442 400 L N 1.711 122.912 121.223 -0.036 0.000 1.994 400 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 400 L C 1.954 178.764 176.870 -0.101 0.000 1.071 400 L CA 1.570 56.361 54.840 -0.081 0.000 0.745 400 L CB -0.361 41.614 42.059 -0.140 0.000 0.892 400 L HN 0.146 nan 8.230 nan 0.000 0.431 401 I N -0.830 119.641 120.570 -0.165 0.000 2.163 401 I HA -0.352 3.818 4.170 -0.000 0.000 0.243 401 I C 2.456 178.568 176.117 -0.008 0.000 1.085 401 I CA 1.639 62.881 61.300 -0.096 0.000 1.347 401 I CB -0.442 37.500 38.000 -0.097 0.000 1.044 401 I HN 0.308 nan 8.210 nan 0.000 0.408 402 L N 0.483 121.713 121.223 0.012 0.000 2.141 402 L HA -0.168 4.172 4.340 -0.000 0.000 0.209 402 L C 2.793 179.664 176.870 0.001 0.000 1.094 402 L CA 1.564 56.416 54.840 0.019 0.000 0.763 402 L CB -0.635 41.445 42.059 0.034 0.000 0.908 402 L HN 0.380 nan 8.230 nan 0.000 0.437 403 S N -1.078 114.620 115.700 -0.003 0.000 2.428 403 S HA -0.102 4.368 4.470 -0.000 0.000 0.230 403 S C 1.506 176.103 174.600 -0.006 0.000 1.014 403 S CA 0.648 58.844 58.200 -0.007 0.000 0.957 403 S CB -0.109 63.088 63.200 -0.005 0.000 0.784 403 S HN 0.346 nan 8.310 nan 0.000 0.499 404 E N 1.100 121.298 120.200 -0.004 0.000 2.419 404 E HA 0.181 4.531 4.350 -0.000 0.000 0.190 404 E C 1.593 178.202 176.600 0.015 0.000 1.040 404 E CA -0.221 56.183 56.400 0.006 0.000 0.900 404 E CB -0.129 29.578 29.700 0.011 0.000 1.054 404 E HN 0.608 nan 8.360 nan 0.000 0.462 405 R N 1.264 121.766 120.500 0.003 0.000 2.113 405 R HA -0.241 4.099 4.340 -0.000 0.000 0.244 405 R C 1.175 177.461 176.300 -0.022 0.000 1.142 405 R CA 1.802 57.899 56.100 -0.006 0.000 0.953 405 R CB 0.259 30.543 30.300 -0.027 0.000 0.860 405 R HN -0.020 nan 8.270 nan 0.000 0.438 406 E N -0.138 120.047 120.200 -0.026 0.000 2.047 406 E HA -0.172 4.178 4.350 -0.000 0.000 0.191 406 E C 2.010 178.603 176.600 -0.012 0.000 0.987 406 E CA 1.516 57.895 56.400 -0.034 0.000 0.799 406 E CB -0.254 29.427 29.700 -0.031 0.000 0.752 406 E HN 0.352 nan 8.360 nan 0.000 0.449 407 R N 0.493 120.999 120.500 0.009 0.000 2.096 407 R HA -0.082 4.258 4.340 -0.000 0.000 0.235 407 R C 1.789 178.127 176.300 0.064 0.000 1.127 407 R CA 1.170 57.288 56.100 0.030 0.000 0.968 407 R CB -0.248 30.073 30.300 0.034 0.000 0.861 407 R HN 0.217 nan 8.270 nan 0.000 0.440 408 L N 0.041 121.313 121.223 0.081 0.000 2.509 408 L HA 0.206 4.546 4.340 -0.000 0.000 0.222 408 L C 0.991 177.954 176.870 0.155 0.000 1.123 408 L CA 0.516 55.453 54.840 0.162 0.000 0.856 408 L CB 0.094 42.268 42.059 0.192 0.000 0.985 408 L HN 0.617 nan 8.230 nan 0.000 0.456 409 G N 1.554 110.370 108.800 0.027 0.000 2.246 409 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.273 409 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.273 409 G C 0.004 174.747 174.900 -0.261 0.000 1.055 409 G CA -0.134 44.910 45.100 -0.093 0.000 0.851 409 G HN 0.294 nan 8.290 nan 0.000 0.500 410 I N 0.617 121.073 120.570 -0.189 0.000 2.322 410 I HA 0.267 4.437 4.170 -0.000 0.000 0.292 410 I C 0.843 176.731 176.117 -0.382 0.000 1.060 410 I CA -0.081 61.081 61.300 -0.230 0.000 1.309 410 I CB 0.648 38.642 38.000 -0.009 0.000 1.415 410 I HN 0.098 nan 8.210 nan 0.000 0.492 411 K N 3.218 123.098 120.400 -0.867 0.000 2.132 411 K HA 0.411 4.731 4.320 -0.000 0.000 0.241 411 K C 1.062 177.450 176.600 -0.353 0.000 1.000 411 K CA -0.531 55.243 56.287 -0.856 0.000 0.911 411 K CB 1.148 32.700 32.500 -1.580 0.000 1.093 411 K HN 0.594 nan 8.250 nan 0.000 0.460 412 T N -3.322 111.092 114.554 -0.234 0.000 3.037 412 T HA 0.073 4.423 4.350 -0.000 0.000 0.252 412 T C 0.595 175.300 174.700 0.010 0.000 1.073 412 T CA -0.138 61.939 62.100 -0.038 0.000 1.091 412 T CB -0.065 68.777 68.868 -0.043 0.000 0.935 412 T HN 0.359 nan 8.240 nan 0.000 0.488 413 V N -1.448 118.403 119.914 -0.105 0.000 2.531 413 V HA 0.847 4.967 4.120 -0.000 0.000 0.301 413 V C -1.832 174.241 176.094 -0.035 0.000 1.034 413 V CA -1.608 60.696 62.300 0.007 0.000 0.865 413 V CB 0.981 32.795 31.823 -0.015 0.000 0.995 413 V HN 0.360 nan 8.190 nan 0.000 0.424 414 W N 3.144 124.394 121.300 -0.082 0.000 2.962 414 W HA 0.770 5.430 4.660 -0.000 0.000 0.341 414 W C -2.898 173.620 176.519 -0.003 0.000 1.155 414 W CA -2.542 54.783 57.345 -0.033 0.000 1.165 414 W CB 1.487 30.947 29.460 -0.001 0.000 1.435 414 W HN 0.327 nan 8.180 nan 0.000 0.546 415 P HA 0.168 nan 4.420 nan 0.000 0.281 415 P C 0.800 178.234 177.300 0.223 0.000 1.252 415 P CA 0.173 63.387 63.100 0.189 0.000 0.778 415 P CB 1.073 32.867 31.700 0.157 0.000 0.895 416 T N 2.420 117.066 114.554 0.152 0.000 2.737 416 T HA -0.199 4.151 4.350 -0.000 0.000 0.269 416 T C 1.775 176.571 174.700 0.160 0.000 1.040 416 T CA 1.283 63.466 62.100 0.138 0.000 1.142 416 T CB -0.296 68.620 68.868 0.080 0.000 0.861 416 T HN 0.414 nan 8.240 nan 0.000 0.456 417 R N 0.626 121.206 120.500 0.133 0.000 2.105 417 R HA -0.087 4.253 4.340 -0.000 0.000 0.239 417 R C 2.412 178.797 176.300 0.142 0.000 1.135 417 R CA 1.359 57.527 56.100 0.114 0.000 0.967 417 R CB -0.152 30.203 30.300 0.092 0.000 0.861 417 R HN 0.569 nan 8.270 nan 0.000 0.442 418 E N -0.911 119.413 120.200 0.207 0.000 2.107 418 E HA -0.205 4.145 4.350 -0.000 0.000 0.191 418 E C 1.686 178.478 176.600 0.320 0.000 0.982 418 E CA 0.895 57.461 56.400 0.277 0.000 0.809 418 E CB -0.138 29.767 29.700 0.343 0.000 0.756 418 E HN 0.309 nan 8.360 nan 0.000 0.459 419 Y N 1.584 121.951 120.300 0.111 0.000 2.224 419 Y HA -0.217 4.333 4.550 -0.000 0.000 0.289 419 Y C 2.336 178.163 175.900 -0.121 0.000 1.146 419 Y CA 1.706 59.619 58.100 -0.312 0.000 1.182 419 Y CB -0.377 37.736 38.460 -0.578 0.000 0.983 419 Y HN -0.094 nan 8.280 nan 0.000 0.524 420 T N 0.256 114.783 114.554 -0.046 0.000 2.746 420 T HA -0.162 4.188 4.350 -0.000 0.000 0.267 420 T C 1.359 176.013 174.700 -0.077 0.000 1.039 420 T CA 1.629 63.674 62.100 -0.092 0.000 1.142 420 T CB -0.295 68.584 68.868 0.017 0.000 0.866 420 T HN 0.392 nan 8.240 nan 0.000 0.444 421 D N 0.466 120.877 120.400 0.018 0.000 2.117 421 D HA -0.032 4.608 4.640 -0.000 0.000 0.198 421 D C 1.694 178.036 176.300 0.070 0.000 0.982 421 D CA 0.653 54.684 54.000 0.051 0.000 0.828 421 D CB -0.424 40.433 40.800 0.095 0.000 0.967 421 D HN 0.371 nan 8.370 nan 0.000 0.464 422 F N 2.033 121.948 119.950 -0.058 0.000 2.171 422 F HA -0.126 4.401 4.527 -0.000 0.000 0.300 422 F C 2.229 177.959 175.800 -0.117 0.000 1.090 422 F CA 1.277 59.266 58.000 -0.018 0.000 1.293 422 F CB 0.066 39.011 39.000 -0.092 0.000 1.013 422 F HN -0.209 nan 8.300 nan 0.000 0.486 423 R N 0.094 120.365 120.500 -0.382 0.000 2.075 423 R HA -0.170 4.170 4.340 -0.000 0.000 0.232 423 R C 2.254 178.437 176.300 -0.195 0.000 1.126 423 R CA 1.705 57.567 56.100 -0.396 0.000 0.963 423 R CB -0.528 29.539 30.300 -0.388 0.000 0.858 423 R HN 0.411 nan 8.270 nan 0.000 0.435 424 E N -0.035 120.094 120.200 -0.118 0.000 2.028 424 E HA -0.227 4.123 4.350 -0.000 0.000 0.191 424 E C 1.619 178.211 176.600 -0.014 0.000 0.988 424 E CA 1.001 57.375 56.400 -0.043 0.000 0.799 424 E CB -0.137 29.558 29.700 -0.008 0.000 0.755 424 E HN 0.243 nan 8.360 nan 0.000 0.447 425 Y N -0.197 120.015 120.300 -0.146 0.000 2.465 425 Y HA -0.215 4.334 4.550 -0.000 0.000 0.289 425 Y C 1.495 177.290 175.900 -0.175 0.000 1.150 425 Y CA 1.206 59.223 58.100 -0.138 0.000 1.293 425 Y CB -0.233 38.162 38.460 -0.108 0.000 0.977 425 Y HN 0.174 nan 8.280 nan 0.000 0.556 426 F N -0.556 119.096 119.950 -0.496 0.000 2.274 426 F HA 0.023 4.550 4.527 0.000 0.000 0.288 426 F C 1.907 177.508 175.800 -0.333 0.000 1.069 426 F CA 0.855 58.537 58.000 -0.531 0.000 1.343 426 F CB -0.241 38.386 39.000 -0.622 0.000 1.089 426 F HN -0.146 nan 8.300 nan 0.000 0.517 427 M N 0.645 120.170 119.600 -0.126 0.000 2.748 427 M HA -0.000 4.480 4.480 -0.000 0.000 0.241 427 M C -0.493 175.687 176.300 -0.200 0.000 1.080 427 M CA 1.019 56.231 55.300 -0.146 0.000 1.068 427 M CB -0.620 31.961 32.600 -0.032 0.000 1.536 427 M HN 0.175 nan 8.290 nan 0.000 0.540 428 E N 0.000 120.047 120.200 -0.255 0.000 2.725 428 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 428 E CA 0.000 56.283 56.400 -0.195 0.000 0.976 428 E CB 0.000 29.643 29.700 -0.095 0.000 0.812 428 E HN 0.000 nan 8.360 nan 0.000 0.440