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 3ifg_1_E DATA FIRST_RESID 3 DATA SEQUENCE GSMKDPSLLR HQAYIGGEWQ AADSDATFEV FDPATGESLG TVPKMGAAET DATA SEQUENCE ARAIEAAQAA WAGWRMKTAK ERAAILRRWF DLVIANSDDL ALILTTEQGK DATA SEQUENCE PLAEAKGEIA YAASFIEWFA EEGKRVAGDT LPTPDANKRI VVVKEPIGVC DATA SEQUENCE AAITPWNFPA AMIARKVGPA LAAGCPIVVK PAESTPFSAL AMAFLAERAG DATA SEQUENCE VPKGVLSVVI GDPKAIGTEI TSNPIVRKLS FTGSTAVGRL LMAQSAPTVK DATA SEQUENCE KLTLELGGNA PFIVFDDADL DAAVEGAIAS KYRNNGQTCV CTNRFFVHER DATA SEQUENCE VYDAFADKLA AAVSKLKVGR GTESGATLGP LINEAAVKKV ESHIADALAK DATA SEQUENCE GASLMTGGKR HALGHGFFEP TVLTGVKPDM DVAKEETFGP LAPLFRFASE DATA SEQUENCE EELVRLANDT EFGLAAYLYS RDIGRVWRVA EALEYGMVGI NTGLISNEVA DATA SEQUENCE PFGGVKQSGL GREGSHYGID DYVVIKYLCV AV 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 3 G HA2 0.000 nan 3.960 nan 0.000 0.244 3 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 3 G C 0.000 174.874 174.900 -0.043 0.000 0.946 3 G CA 0.000 45.068 45.100 -0.053 0.000 0.502 4 S N 0.567 116.241 115.700 -0.042 0.000 2.497 4 S HA 0.789 5.259 4.470 -0.000 0.000 0.176 4 S C -0.327 174.253 174.600 -0.034 0.000 1.445 4 S CA -0.299 57.882 58.200 -0.032 0.000 1.092 4 S CB 0.169 63.354 63.200 -0.025 0.000 1.216 4 S HN 0.362 nan 8.310 nan 0.000 0.486 5 M N 1.841 121.420 119.600 -0.036 0.000 2.324 5 M HA 0.408 4.888 4.480 -0.000 0.000 0.288 5 M C 0.221 176.508 176.300 -0.022 0.000 1.097 5 M CA -0.631 54.650 55.300 -0.032 0.000 0.928 5 M CB 2.239 34.810 32.600 -0.049 0.000 1.648 5 M HN 0.218 nan 8.290 nan 0.000 0.460 6 K N 0.491 120.884 120.400 -0.012 0.000 2.228 6 K HA -0.149 4.171 4.320 -0.000 0.000 0.205 6 K C -0.054 176.546 176.600 -0.000 0.000 1.045 6 K CA 1.273 57.557 56.287 -0.004 0.000 0.931 6 K CB -0.024 32.476 32.500 0.001 0.000 0.727 6 K HN 0.397 nan 8.250 nan 0.000 0.458 7 D N -1.840 118.559 120.400 -0.002 0.000 2.328 7 D HA 0.167 4.807 4.640 -0.000 0.000 0.243 7 D C -2.431 173.854 176.300 -0.025 0.000 1.324 7 D CA -2.112 51.892 54.000 0.006 0.000 0.966 7 D CB 1.247 42.074 40.800 0.046 0.000 1.324 7 D HN -0.248 nan 8.370 nan 0.000 0.549 8 P HA -0.094 nan 4.420 nan 0.000 0.225 8 P C 1.211 178.422 177.300 -0.149 0.000 1.148 8 P CA 0.792 63.838 63.100 -0.091 0.000 0.779 8 P CB 0.213 31.867 31.700 -0.077 0.000 0.780 9 S N -1.407 114.201 115.700 -0.153 0.000 2.515 9 S HA -0.022 4.448 4.470 -0.000 0.000 0.231 9 S C 1.729 176.023 174.600 -0.510 0.000 0.987 9 S CA 0.532 58.541 58.200 -0.318 0.000 0.936 9 S CB -1.363 61.687 63.200 -0.249 0.000 0.766 9 S HN 0.120 nan 8.310 nan 0.000 0.528 10 L N 0.055 121.132 121.223 -0.243 0.000 2.217 10 L HA 0.220 4.560 4.340 -0.000 0.000 0.211 10 L C 0.832 177.563 176.870 -0.232 0.000 1.107 10 L CA 0.279 55.026 54.840 -0.154 0.000 0.783 10 L CB -0.261 41.812 42.059 0.023 0.000 0.919 10 L HN 0.322 nan 8.230 nan 0.000 0.442 11 L N 1.641 122.683 121.223 -0.302 0.000 2.325 11 L HA 0.185 4.525 4.340 -0.000 0.000 0.284 11 L C -0.056 176.505 176.870 -0.515 0.000 1.089 11 L CA 0.265 54.852 54.840 -0.420 0.000 0.836 11 L CB 0.008 41.775 42.059 -0.488 0.000 1.184 11 L HN 0.005 nan 8.230 nan 0.000 0.444 12 R N 4.348 124.599 120.500 -0.415 0.000 2.532 12 R HA 0.380 4.719 4.340 -0.000 0.000 0.295 12 R C -0.161 175.935 176.300 -0.340 0.000 0.968 12 R CA -0.536 55.309 56.100 -0.425 0.000 0.916 12 R CB 1.085 31.149 30.300 -0.394 0.000 1.124 12 R HN 0.612 nan 8.270 nan 0.000 0.463 13 H N 0.623 119.681 119.070 -0.019 0.000 2.581 13 H HA 0.283 4.839 4.556 -0.000 0.000 0.275 13 H C -0.181 175.160 175.328 0.021 0.000 1.126 13 H CA -0.034 56.040 56.048 0.043 0.000 1.097 13 H CB 1.436 31.197 29.762 -0.003 0.000 1.626 13 H HN 0.394 nan 8.280 nan 0.000 0.565 14 Q N 0.180 120.059 119.800 0.132 0.000 2.399 14 Q HA 0.697 5.036 4.340 -0.000 0.000 0.276 14 Q C -0.588 175.672 176.000 0.433 0.000 1.098 14 Q CA -0.997 54.957 55.803 0.253 0.000 0.827 14 Q CB 3.100 32.025 28.738 0.311 0.000 1.386 14 Q HN 0.243 nan 8.270 nan 0.000 0.443 15 A N 0.703 123.726 122.820 0.337 0.000 2.286 15 A HA 0.376 4.696 4.320 -0.000 0.000 0.286 15 A C -1.542 176.143 177.584 0.168 0.000 1.097 15 A CA -0.166 52.024 52.037 0.256 0.000 0.821 15 A CB 0.359 19.428 19.000 0.115 0.000 1.076 15 A HN 0.654 nan 8.150 nan 0.000 0.490 16 Y N 2.430 122.566 120.300 -0.273 0.000 2.518 16 Y HA 0.436 4.986 4.550 -0.000 0.000 0.344 16 Y C -0.652 175.034 175.900 -0.356 0.000 0.982 16 Y CA -1.174 56.530 58.100 -0.660 0.000 1.234 16 Y CB 0.580 38.532 38.460 -0.845 0.000 1.114 16 Y HN 0.361 nan 8.280 nan 0.000 0.515 17 I N 5.115 125.377 120.570 -0.513 0.000 2.390 17 I HA 0.282 4.452 4.170 -0.000 0.000 0.283 17 I C 0.919 176.770 176.117 -0.443 0.000 1.016 17 I CA -0.680 60.407 61.300 -0.355 0.000 1.151 17 I CB 0.786 38.678 38.000 -0.179 0.000 1.293 17 I HN 0.835 nan 8.210 nan 0.000 0.458 18 G N 4.741 113.286 108.800 -0.425 0.000 2.249 18 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.273 18 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.273 18 G C 1.044 175.667 174.900 -0.461 0.000 1.036 18 G CA 0.700 45.588 45.100 -0.354 0.000 0.824 18 G HN 1.538 nan 8.290 nan 0.000 0.504 19 G N -1.748 106.536 108.800 -0.860 0.000 2.195 19 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.246 19 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.246 19 G C 0.114 174.540 174.900 -0.790 0.000 0.984 19 G CA 1.038 45.629 45.100 -0.849 0.000 0.633 19 G HN 1.127 nan 8.290 nan 0.000 0.525 20 E N -0.399 119.373 120.200 -0.713 0.000 2.179 20 E HA 0.590 4.940 4.350 -0.000 0.000 0.275 20 E C -0.540 175.836 176.600 -0.373 0.000 0.945 20 E CA -0.798 55.387 56.400 -0.358 0.000 0.792 20 E CB 0.466 30.059 29.700 -0.179 0.000 1.125 20 E HN 0.298 nan 8.360 nan 0.000 0.397 21 W N 2.975 124.300 121.300 0.043 0.000 2.335 21 W HA 0.321 4.981 4.660 -0.000 0.000 0.306 21 W C 0.243 176.786 176.519 0.040 0.000 1.216 21 W CA -0.219 57.188 57.345 0.105 0.000 1.237 21 W CB 0.723 30.272 29.460 0.147 0.000 1.243 21 W HN 0.292 nan 8.180 nan 0.000 0.493 22 Q N 1.894 121.842 119.800 0.247 0.000 2.495 22 Q HA 0.772 5.112 4.340 -0.000 0.000 0.287 22 Q C -0.577 175.502 176.000 0.132 0.000 1.078 22 Q CA -1.109 54.777 55.803 0.137 0.000 0.793 22 Q CB 2.415 31.184 28.738 0.051 0.000 1.459 22 Q HN 0.538 nan 8.270 nan 0.000 0.422 23 A N 0.598 123.470 122.820 0.086 0.000 2.256 23 A HA 0.846 5.166 4.320 -0.000 0.000 0.318 23 A C -0.517 177.095 177.584 0.045 0.000 1.103 23 A CA -0.230 51.844 52.037 0.063 0.000 0.860 23 A CB 0.606 19.633 19.000 0.045 0.000 1.182 23 A HN 0.747 nan 8.150 nan 0.000 0.501 24 A N -0.040 122.803 122.820 0.038 0.000 2.483 24 A HA 0.321 4.641 4.320 -0.000 0.000 0.238 24 A C 0.560 178.160 177.584 0.027 0.000 1.070 24 A CA 0.169 52.227 52.037 0.035 0.000 0.770 24 A CB -0.141 18.884 19.000 0.041 0.000 1.008 24 A HN 0.754 nan 8.150 nan 0.000 0.497 25 D N 1.066 121.479 120.400 0.022 0.000 2.190 25 D HA -0.147 4.493 4.640 -0.000 0.000 0.200 25 D C 1.989 178.299 176.300 0.017 0.000 0.992 25 D CA 2.137 56.147 54.000 0.017 0.000 0.854 25 D CB -0.128 40.679 40.800 0.012 0.000 0.936 25 D HN 0.650 nan 8.370 nan 0.000 0.462 26 S N -0.902 114.811 115.700 0.021 0.000 2.556 26 S HA 0.065 4.535 4.470 -0.000 0.000 0.216 26 S C 0.354 174.967 174.600 0.022 0.000 0.970 26 S CA 0.187 58.400 58.200 0.021 0.000 0.912 26 S CB 0.447 63.662 63.200 0.024 0.000 0.790 26 S HN -0.027 nan 8.310 nan 0.000 0.504 27 D N 0.370 120.783 120.400 0.022 0.000 2.978 27 D HA -0.144 4.496 4.640 -0.000 0.000 0.205 27 D C 0.346 176.659 176.300 0.021 0.000 1.093 27 D CA 1.055 55.067 54.000 0.019 0.000 1.006 27 D CB -1.624 39.185 40.800 0.014 0.000 1.116 27 D HN 0.818 nan 8.370 nan 0.000 0.419 28 A N 0.335 123.174 122.820 0.032 0.000 2.483 28 A HA 0.514 4.834 4.320 -0.000 0.000 0.238 28 A C 0.910 178.519 177.584 0.042 0.000 1.070 28 A CA 1.065 53.129 52.037 0.044 0.000 0.770 28 A CB 0.432 19.469 19.000 0.061 0.000 1.008 28 A HN 0.439 nan 8.150 nan 0.000 0.497 29 T N -0.558 114.020 114.554 0.040 0.000 2.900 29 T HA 0.707 5.057 4.350 -0.000 0.000 0.303 29 T C -0.477 174.259 174.700 0.060 0.000 1.142 29 T CA -0.541 61.548 62.100 -0.018 0.000 1.007 29 T CB 1.097 69.920 68.868 -0.076 0.000 1.156 29 T HN 1.214 nan 8.240 nan 0.000 0.490 30 F N -0.333 119.621 119.950 0.008 0.000 2.613 30 F HA 0.910 5.437 4.527 -0.000 0.000 0.342 30 F C -0.058 175.732 175.800 -0.017 0.000 1.066 30 F CA -1.443 56.563 58.000 0.010 0.000 1.002 30 F CB 1.009 40.021 39.000 0.020 0.000 1.319 30 F HN 0.758 nan 8.300 nan 0.000 0.495 31 E N 0.496 120.827 120.200 0.217 0.000 2.191 31 E HA 0.616 4.965 4.350 -0.000 0.000 0.274 31 E C -1.661 174.918 176.600 -0.035 0.000 0.948 31 E CA -0.978 55.386 56.400 -0.060 0.000 0.802 31 E CB 2.014 31.627 29.700 -0.145 0.000 1.137 31 E HN 0.592 nan 8.360 nan 0.000 0.397 32 V N 4.543 124.301 119.914 -0.260 0.000 2.459 32 V HA 0.462 4.582 4.120 -0.000 0.000 0.295 32 V C -0.814 175.096 176.094 -0.306 0.000 1.029 32 V CA -0.583 61.657 62.300 -0.101 0.000 0.874 32 V CB 0.846 32.651 31.823 -0.029 0.000 0.985 32 V HN 0.549 nan 8.190 nan 0.000 0.438 33 F N 1.387 121.402 119.950 0.108 0.000 2.546 33 F HA 0.454 4.980 4.527 -0.000 0.000 0.320 33 F C 0.224 176.049 175.800 0.042 0.000 1.076 33 F CA -0.874 57.167 58.000 0.068 0.000 0.928 33 F CB 1.455 40.478 39.000 0.039 0.000 1.189 33 F HN 0.430 nan 8.300 nan 0.000 0.465 34 D N 4.035 124.557 120.400 0.203 0.000 2.343 34 D HA 0.133 4.773 4.640 -0.000 0.000 0.255 34 D C -1.640 174.673 176.300 0.021 0.000 1.187 34 D CA -2.214 51.838 54.000 0.086 0.000 0.875 34 D CB 1.355 42.183 40.800 0.048 0.000 1.136 34 D HN 0.160 nan 8.370 nan 0.000 0.469 35 P HA -0.007 nan 4.420 nan 0.000 0.237 35 P C 0.548 177.729 177.300 -0.198 0.000 1.178 35 P CA 0.346 63.381 63.100 -0.109 0.000 0.766 35 P CB 0.376 31.991 31.700 -0.141 0.000 0.876 36 A N 0.140 122.865 122.820 -0.159 0.000 2.044 36 A HA 0.070 4.390 4.320 -0.000 0.000 0.213 36 A C 1.885 179.426 177.584 -0.072 0.000 1.169 36 A CA 1.650 53.656 52.037 -0.052 0.000 0.724 36 A CB -0.732 18.340 19.000 0.120 0.000 0.840 36 A HN 0.328 nan 8.150 nan 0.000 0.463 37 T N -6.614 107.745 114.554 -0.325 0.000 3.009 37 T HA 0.424 4.774 4.350 -0.000 0.000 0.267 37 T C 1.382 175.743 174.700 -0.564 0.000 0.942 37 T CA 1.060 62.920 62.100 -0.400 0.000 0.883 37 T CB 0.345 69.169 68.868 -0.073 0.000 1.192 37 T HN 1.636 nan 8.240 nan 0.000 0.524 38 G N 2.629 111.153 108.800 -0.459 0.000 2.184 38 G HA2 -0.297 3.662 3.960 -0.000 0.000 0.264 38 G HA3 -0.297 3.662 3.960 -0.000 0.000 0.264 38 G C -0.062 174.940 174.900 0.170 0.000 0.975 38 G CA 0.466 45.519 45.100 -0.080 0.000 0.642 38 G HN 1.096 nan 8.290 nan 0.000 0.536 39 E N 0.370 120.657 120.200 0.145 0.000 2.373 39 E HA 0.548 4.898 4.350 -0.000 0.000 0.263 39 E C 0.156 176.913 176.600 0.262 0.000 1.073 39 E CA 0.004 56.522 56.400 0.197 0.000 0.894 39 E CB 1.108 30.863 29.700 0.092 0.000 1.008 39 E HN 0.168 nan 8.360 nan 0.000 0.420 40 S N 0.448 116.246 115.700 0.164 0.000 2.549 40 S HA 0.288 4.758 4.470 -0.000 0.000 0.279 40 S C 0.305 174.855 174.600 -0.083 0.000 1.321 40 S CA -0.005 58.133 58.200 -0.105 0.000 1.054 40 S CB 0.322 63.462 63.200 -0.101 0.000 0.899 40 S HN 0.611 nan 8.310 nan 0.000 0.497 41 L N 2.979 124.131 121.223 -0.117 0.000 3.168 41 L HA 0.733 5.073 4.340 -0.000 0.000 0.277 41 L C 0.994 177.903 176.870 0.065 0.000 1.245 41 L CA 0.307 55.140 54.840 -0.013 0.000 1.035 41 L CB -1.079 41.016 42.059 0.059 0.000 1.399 41 L HN 1.302 nan 8.230 nan 0.000 0.580 42 G N -0.846 107.946 108.800 -0.014 0.000 2.566 42 G HA2 0.338 4.298 3.960 -0.000 0.000 0.599 42 G HA3 0.338 4.298 3.960 -0.000 0.000 0.599 42 G C -0.126 174.784 174.900 0.017 0.000 1.292 42 G CA 0.331 45.426 45.100 -0.008 0.000 0.922 42 G HN 1.864 nan 8.290 nan 0.000 0.514 43 T N -2.599 111.945 114.554 -0.017 0.000 2.942 43 T HA 0.951 5.300 4.350 -0.000 0.000 0.289 43 T C 0.150 174.830 174.700 -0.034 0.000 1.044 43 T CA -0.032 62.015 62.100 -0.090 0.000 1.023 43 T CB 1.839 70.625 68.868 -0.138 0.000 1.123 43 T HN 2.254 nan 8.240 nan 0.000 0.512 44 V N -2.796 116.921 119.914 -0.328 0.000 3.078 44 V HA 0.772 4.892 4.120 -0.000 0.000 0.311 44 V C -3.201 172.671 176.094 -0.370 0.000 1.138 44 V CA -3.222 58.877 62.300 -0.336 0.000 1.007 44 V CB 1.308 32.824 31.823 -0.511 0.000 1.045 44 V HN 0.712 nan 8.190 nan 0.000 0.432 45 P HA 0.179 nan 4.420 nan 0.000 0.269 45 P C -0.962 176.335 177.300 -0.004 0.000 1.217 45 P CA 0.032 63.099 63.100 -0.055 0.000 0.783 45 P CB 0.347 32.060 31.700 0.022 0.000 0.898 46 K N 2.978 123.439 120.400 0.101 0.000 2.606 46 K HA 0.301 4.621 4.320 -0.000 0.000 0.196 46 K C -0.290 176.394 176.600 0.140 0.000 1.048 46 K CA -0.173 56.256 56.287 0.238 0.000 1.017 46 K CB -0.122 32.547 32.500 0.282 0.000 1.413 46 K HN 0.409 nan 8.250 nan 0.000 0.568 47 M N 0.449 120.121 119.600 0.121 0.000 2.245 47 M HA 0.477 4.957 4.480 -0.000 0.000 0.292 47 M C 0.802 177.138 176.300 0.061 0.000 1.176 47 M CA -0.544 54.800 55.300 0.074 0.000 1.035 47 M CB 1.340 33.976 32.600 0.059 0.000 1.440 47 M HN 0.581 nan 8.290 nan 0.000 0.494 48 G N -0.678 108.145 108.800 0.038 0.000 3.100 48 G HA2 0.544 4.503 3.960 -0.000 0.000 0.174 48 G HA3 0.544 4.503 3.960 -0.000 0.000 0.174 48 G C 0.368 175.276 174.900 0.014 0.000 1.136 48 G CA 0.181 45.296 45.100 0.025 0.000 0.881 48 G HN 0.696 nan 8.290 nan 0.000 0.616 49 A N -0.253 122.571 122.820 0.008 0.000 1.902 49 A HA 0.284 4.603 4.320 -0.000 0.000 0.217 49 A C 2.696 180.279 177.584 -0.001 0.000 1.181 49 A CA 2.859 54.897 52.037 0.001 0.000 0.623 49 A CB -1.043 17.957 19.000 -0.001 0.000 0.818 49 A HN 1.484 nan 8.150 nan 0.000 0.443 50 A N 0.068 122.889 122.820 0.001 0.000 1.877 50 A HA -0.168 4.152 4.320 -0.000 0.000 0.216 50 A C 1.883 179.463 177.584 -0.007 0.000 1.186 50 A CA 1.957 53.993 52.037 -0.002 0.000 0.620 50 A CB -0.526 18.475 19.000 0.001 0.000 0.822 50 A HN 0.540 nan 8.150 nan 0.000 0.443 51 E N -0.660 119.537 120.200 -0.004 0.000 2.216 51 E HA -0.031 4.319 4.350 -0.000 0.000 0.192 51 E C 1.953 178.540 176.600 -0.021 0.000 0.988 51 E CA 1.316 57.709 56.400 -0.013 0.000 0.834 51 E CB -0.428 29.270 29.700 -0.003 0.000 0.772 51 E HN 0.570 nan 8.360 nan 0.000 0.479 52 T N 0.595 115.142 114.554 -0.012 0.000 2.821 52 T HA -0.120 4.230 4.350 -0.000 0.000 0.267 52 T C 1.997 176.682 174.700 -0.024 0.000 1.046 52 T CA 1.175 63.265 62.100 -0.017 0.000 1.139 52 T CB -0.267 68.596 68.868 -0.008 0.000 0.871 52 T HN 0.285 nan 8.240 nan 0.000 0.454 53 A N 1.647 124.455 122.820 -0.020 0.000 1.898 53 A HA -0.065 4.255 4.320 -0.000 0.000 0.216 53 A C 2.386 179.953 177.584 -0.028 0.000 1.181 53 A CA 1.348 53.372 52.037 -0.021 0.000 0.620 53 A CB -0.454 18.537 19.000 -0.015 0.000 0.819 53 A HN 0.355 nan 8.150 nan 0.000 0.442 54 R N -0.596 119.884 120.500 -0.033 0.000 2.092 54 R HA -0.008 4.332 4.340 -0.000 0.000 0.231 54 R C 2.466 178.729 176.300 -0.062 0.000 1.119 54 R CA 1.142 57.216 56.100 -0.043 0.000 0.970 54 R CB -0.399 29.874 30.300 -0.045 0.000 0.864 54 R HN 0.516 nan 8.270 nan 0.000 0.440 55 A N 1.040 123.819 122.820 -0.068 0.000 1.858 55 A HA -0.168 4.152 4.320 -0.000 0.000 0.216 55 A C 2.117 179.656 177.584 -0.075 0.000 1.190 55 A CA 1.366 53.351 52.037 -0.088 0.000 0.617 55 A CB -0.550 18.403 19.000 -0.079 0.000 0.827 55 A HN 0.202 nan 8.150 nan 0.000 0.443 56 I N -0.563 119.974 120.570 -0.055 0.000 2.208 56 I HA -0.281 3.889 4.170 -0.000 0.000 0.245 56 I C 2.545 178.639 176.117 -0.038 0.000 1.097 56 I CA 1.764 63.035 61.300 -0.049 0.000 1.363 56 I CB -0.430 37.547 38.000 -0.038 0.000 1.051 56 I HN 0.426 nan 8.210 nan 0.000 0.413 57 E N 0.787 120.968 120.200 -0.032 0.000 2.051 57 E HA -0.215 4.135 4.350 -0.000 0.000 0.192 57 E C 2.367 178.956 176.600 -0.018 0.000 0.991 57 E CA 1.307 57.696 56.400 -0.018 0.000 0.799 57 E CB -0.214 29.476 29.700 -0.016 0.000 0.748 57 E HN 0.511 nan 8.360 nan 0.000 0.449 58 A N 1.237 124.031 122.820 -0.043 0.000 1.940 58 A HA -0.173 4.147 4.320 -0.000 0.000 0.219 58 A C 2.337 179.896 177.584 -0.042 0.000 1.176 58 A CA 1.760 53.764 52.037 -0.054 0.000 0.631 58 A CB -0.634 18.306 19.000 -0.100 0.000 0.814 58 A HN 0.314 nan 8.150 nan 0.000 0.446 59 A N -1.010 121.779 122.820 -0.051 0.000 1.930 59 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 59 A C 2.180 179.781 177.584 0.028 0.000 1.175 59 A CA 1.694 53.702 52.037 -0.048 0.000 0.627 59 A CB -0.517 18.431 19.000 -0.086 0.000 0.815 59 A HN 0.654 nan 8.150 nan 0.000 0.443 60 Q N -0.619 119.208 119.800 0.045 0.000 2.119 60 Q HA -0.106 4.234 4.340 -0.000 0.000 0.201 60 Q C 2.187 178.290 176.000 0.171 0.000 0.972 60 Q CA 1.378 57.263 55.803 0.136 0.000 0.847 60 Q CB -0.295 28.501 28.738 0.097 0.000 0.903 60 Q HN 0.616 nan 8.270 nan 0.000 0.433 61 A N 0.489 123.364 122.820 0.092 0.000 1.930 61 A HA -0.043 4.277 4.320 -0.000 0.000 0.217 61 A C 2.136 179.777 177.584 0.095 0.000 1.175 61 A CA 1.502 53.584 52.037 0.074 0.000 0.627 61 A CB -0.653 18.365 19.000 0.030 0.000 0.815 61 A HN 0.498 nan 8.150 nan 0.000 0.443 62 A N -2.252 120.626 122.820 0.097 0.000 2.167 62 A HA 0.045 4.365 4.320 -0.000 0.000 0.214 62 A C 1.738 179.466 177.584 0.239 0.000 1.151 62 A CA 1.035 53.138 52.037 0.110 0.000 0.735 62 A CB -0.633 18.384 19.000 0.027 0.000 0.802 62 A HN 0.796 nan 8.150 nan 0.000 0.467 63 W N 1.121 122.457 121.300 0.059 0.000 2.379 63 W HA -0.101 4.559 4.660 -0.000 0.000 0.307 63 W C 2.282 178.883 176.519 0.137 0.000 1.200 63 W CA 1.406 58.820 57.345 0.115 0.000 1.297 63 W CB -0.678 28.830 29.460 0.080 0.000 1.140 63 W HN 0.332 nan 8.180 nan 0.000 0.507 64 A N 0.548 123.362 122.820 -0.009 0.000 1.948 64 A HA -0.093 4.227 4.320 -0.000 0.000 0.220 64 A C 2.279 179.823 177.584 -0.066 0.000 1.177 64 A CA 2.287 54.212 52.037 -0.187 0.000 0.636 64 A CB -1.540 17.382 19.000 -0.131 0.000 0.815 64 A HN 0.415 nan 8.150 nan 0.000 0.449 65 G N -2.358 106.475 108.800 0.055 0.000 2.494 65 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.216 65 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.216 65 G C 1.462 176.457 174.900 0.159 0.000 1.140 65 G CA 0.677 45.826 45.100 0.082 0.000 0.801 65 G HN 0.678 nan 8.290 nan 0.000 0.536 66 W N 2.675 123.998 121.300 0.039 0.000 2.443 66 W HA -0.060 4.600 4.660 -0.000 0.000 0.296 66 W C 2.611 179.172 176.519 0.069 0.000 1.202 66 W CA 1.060 58.449 57.345 0.073 0.000 1.312 66 W CB 0.079 29.619 29.460 0.133 0.000 1.120 66 W HN 0.297 nan 8.180 nan 0.000 0.536 67 R N 0.261 120.817 120.500 0.092 0.000 2.189 67 R HA -0.142 4.198 4.340 -0.000 0.000 0.223 67 R C 2.111 178.328 176.300 -0.138 0.000 1.092 67 R CA 1.466 57.532 56.100 -0.056 0.000 0.989 67 R CB -1.057 29.188 30.300 -0.092 0.000 0.876 67 R HN 0.208 nan 8.270 nan 0.000 0.457 68 M N 1.169 120.697 119.600 -0.120 0.000 2.319 68 M HA 0.020 4.500 4.480 -0.000 0.000 0.265 68 M C 0.119 176.347 176.300 -0.120 0.000 1.068 68 M CA 1.128 56.362 55.300 -0.109 0.000 1.118 68 M CB 0.243 32.796 32.600 -0.078 0.000 1.395 68 M HN 0.057 nan 8.290 nan 0.000 0.435 69 K N 1.103 121.401 120.400 -0.169 0.000 2.380 69 K HA 0.036 4.356 4.320 -0.000 0.000 0.267 69 K C 0.475 176.949 176.600 -0.209 0.000 0.990 69 K CA 0.146 56.311 56.287 -0.203 0.000 0.946 69 K CB 0.349 32.657 32.500 -0.320 0.000 0.937 69 K HN 0.238 nan 8.250 nan 0.000 0.491 70 T N -1.560 112.897 114.554 -0.161 0.000 2.828 70 T HA 0.218 4.568 4.350 -0.000 0.000 0.290 70 T C 1.340 175.940 174.700 -0.166 0.000 1.019 70 T CA -0.303 61.717 62.100 -0.134 0.000 1.031 70 T CB 1.366 70.180 68.868 -0.091 0.000 1.001 70 T HN 0.557 nan 8.240 nan 0.000 0.531 71 A N 0.971 123.716 122.820 -0.125 0.000 1.902 71 A HA -0.069 4.251 4.320 -0.000 0.000 0.217 71 A C 2.391 179.916 177.584 -0.098 0.000 1.181 71 A CA 1.907 53.876 52.037 -0.114 0.000 0.623 71 A CB -0.982 17.977 19.000 -0.069 0.000 0.818 71 A HN 0.984 nan 8.150 nan 0.000 0.443 72 K N -0.301 120.051 120.400 -0.080 0.000 2.020 72 K HA -0.245 4.075 4.320 -0.000 0.000 0.212 72 K C 2.011 178.576 176.600 -0.058 0.000 1.050 72 K CA 2.041 58.292 56.287 -0.060 0.000 0.929 72 K CB -0.211 32.258 32.500 -0.051 0.000 0.714 72 K HN 0.670 nan 8.250 nan 0.000 0.443 73 E N -0.154 119.997 120.200 -0.082 0.000 2.038 73 E HA -0.209 4.141 4.350 -0.000 0.000 0.195 73 E C 2.151 178.692 176.600 -0.098 0.000 1.000 73 E CA 1.417 57.767 56.400 -0.082 0.000 0.803 73 E CB -0.051 29.586 29.700 -0.105 0.000 0.750 73 E HN 0.262 nan 8.360 nan 0.000 0.448 74 R N 0.350 120.719 120.500 -0.220 0.000 2.105 74 R HA -0.116 4.224 4.340 -0.000 0.000 0.239 74 R C 2.322 178.634 176.300 0.020 0.000 1.135 74 R CA 1.096 57.045 56.100 -0.252 0.000 0.967 74 R CB -0.333 29.646 30.300 -0.535 0.000 0.861 74 R HN 0.127 nan 8.270 nan 0.000 0.442 75 A N 1.133 123.953 122.820 -0.000 0.000 2.015 75 A HA -0.010 4.310 4.320 -0.000 0.000 0.219 75 A C 2.309 179.935 177.584 0.070 0.000 1.163 75 A CA 1.396 53.459 52.037 0.044 0.000 0.646 75 A CB -0.339 18.657 19.000 -0.006 0.000 0.806 75 A HN 0.383 nan 8.150 nan 0.000 0.448 76 A N 0.030 122.884 122.820 0.057 0.000 1.897 76 A HA 0.011 4.331 4.320 -0.000 0.000 0.215 76 A C 2.053 179.713 177.584 0.127 0.000 1.181 76 A CA 1.342 53.424 52.037 0.074 0.000 0.620 76 A CB -0.504 18.524 19.000 0.047 0.000 0.821 76 A HN 0.454 nan 8.150 nan 0.000 0.443 77 I N -0.228 120.437 120.570 0.158 0.000 2.179 77 I HA -0.247 3.923 4.170 -0.000 0.000 0.242 77 I C 2.331 178.618 176.117 0.283 0.000 1.088 77 I CA 1.099 62.529 61.300 0.215 0.000 1.357 77 I CB -0.279 37.892 38.000 0.285 0.000 1.051 77 I HN 0.264 nan 8.210 nan 0.000 0.409 78 L N 0.082 121.494 121.223 0.315 0.000 2.131 78 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 78 L C 2.714 179.800 176.870 0.360 0.000 1.092 78 L CA 1.189 56.270 54.840 0.402 0.000 0.759 78 L CB -0.472 41.795 42.059 0.347 0.000 0.903 78 L HN 0.220 nan 8.230 nan 0.000 0.435 79 R N 0.096 120.746 120.500 0.250 0.000 2.090 79 R HA -0.082 4.258 4.340 -0.000 0.000 0.228 79 R C 2.429 178.918 176.300 0.315 0.000 1.110 79 R CA 0.942 57.188 56.100 0.244 0.000 0.973 79 R CB 0.026 30.411 30.300 0.141 0.000 0.869 79 R HN 0.213 nan 8.270 nan 0.000 0.440 80 R N -0.936 119.718 120.500 0.257 0.000 2.148 80 R HA -0.166 4.174 4.340 -0.000 0.000 0.227 80 R C 1.750 178.217 176.300 0.278 0.000 1.103 80 R CA 1.260 57.491 56.100 0.219 0.000 0.983 80 R CB -0.295 30.103 30.300 0.164 0.000 0.874 80 R HN 0.356 nan 8.270 nan 0.000 0.451 81 W N 0.964 122.338 121.300 0.123 0.000 2.418 81 W HA -0.155 4.504 4.660 -0.000 0.000 0.292 81 W C 1.773 178.374 176.519 0.137 0.000 1.213 81 W CA 0.438 57.845 57.345 0.103 0.000 1.283 81 W CB -0.654 28.871 29.460 0.108 0.000 1.119 81 W HN -0.013 nan 8.180 nan 0.000 0.542 82 F N 1.733 121.690 119.950 0.011 0.000 2.134 82 F HA -0.199 4.327 4.527 -0.000 0.000 0.299 82 F C 1.941 177.712 175.800 -0.048 0.000 1.097 82 F CA 2.484 60.413 58.000 -0.118 0.000 1.264 82 F CB -0.647 38.322 39.000 -0.052 0.000 1.001 82 F HN -0.276 nan 8.300 nan 0.000 0.479 83 D N 0.912 121.248 120.400 -0.106 0.000 2.097 83 D HA -0.170 4.470 4.640 -0.000 0.000 0.195 83 D C 2.460 178.664 176.300 -0.159 0.000 0.989 83 D CA 1.607 55.489 54.000 -0.197 0.000 0.827 83 D CB -0.611 40.198 40.800 0.015 0.000 0.966 83 D HN 0.354 nan 8.370 nan 0.000 0.456 84 L N 0.281 121.483 121.223 -0.035 0.000 2.042 84 L HA -0.167 4.173 4.340 -0.000 0.000 0.210 84 L C 2.522 179.365 176.870 -0.044 0.000 1.076 84 L CA 0.645 55.486 54.840 0.001 0.000 0.749 84 L CB -0.305 41.816 42.059 0.104 0.000 0.893 84 L HN -0.039 nan 8.230 nan 0.000 0.432 85 V N -0.151 119.694 119.914 -0.116 0.000 2.295 85 V HA -0.287 3.833 4.120 -0.000 0.000 0.246 85 V C 2.386 178.381 176.094 -0.166 0.000 1.049 85 V CA 1.467 63.683 62.300 -0.139 0.000 1.024 85 V CB -0.327 31.351 31.823 -0.242 0.000 0.648 85 V HN 0.287 nan 8.190 nan 0.000 0.447 86 I N 0.494 120.884 120.570 -0.299 0.000 2.226 86 I HA -0.239 3.931 4.170 -0.000 0.000 0.245 86 I C 2.704 178.731 176.117 -0.150 0.000 1.100 86 I CA 1.952 63.087 61.300 -0.274 0.000 1.374 86 I CB -1.470 36.256 38.000 -0.457 0.000 1.057 86 I HN 0.329 nan 8.210 nan 0.000 0.413 87 A N 1.332 124.076 122.820 -0.127 0.000 1.858 87 A HA -0.198 4.121 4.320 -0.000 0.000 0.216 87 A C 1.626 179.189 177.584 -0.035 0.000 1.190 87 A CA 1.806 53.804 52.037 -0.065 0.000 0.617 87 A CB -1.037 17.936 19.000 -0.045 0.000 0.827 87 A HN 0.495 nan 8.150 nan 0.000 0.443 88 N N -0.163 118.524 118.700 -0.022 0.000 2.484 88 N HA 0.163 4.903 4.740 -0.000 0.000 0.245 88 N C 1.057 176.569 175.510 0.003 0.000 1.184 88 N CA 0.483 53.535 53.050 0.005 0.000 0.884 88 N CB 0.371 38.879 38.487 0.036 0.000 1.182 88 N HN 0.437 nan 8.380 nan 0.000 0.493 89 S N 1.065 116.756 115.700 -0.014 0.000 2.344 89 S HA -0.185 4.285 4.470 -0.000 0.000 0.217 89 S C 1.410 176.015 174.600 0.008 0.000 1.033 89 S CA 1.367 59.563 58.200 -0.007 0.000 1.017 89 S CB -0.133 63.056 63.200 -0.018 0.000 0.941 89 S HN 0.267 nan 8.310 nan 0.000 0.430 90 D N 1.694 122.097 120.400 0.005 0.000 2.157 90 D HA -0.134 4.506 4.640 -0.000 0.000 0.191 90 D C 1.781 178.086 176.300 0.009 0.000 1.004 90 D CA 1.542 55.547 54.000 0.007 0.000 0.854 90 D CB -0.688 40.114 40.800 0.003 0.000 0.936 90 D HN 0.561 nan 8.370 nan 0.000 0.446 91 D N 0.241 120.647 120.400 0.009 0.000 2.077 91 D HA -0.106 4.534 4.640 -0.000 0.000 0.193 91 D C 2.513 178.822 176.300 0.015 0.000 0.989 91 D CA 0.454 54.458 54.000 0.007 0.000 0.831 91 D CB -0.434 40.373 40.800 0.010 0.000 0.979 91 D HN 0.189 nan 8.370 nan 0.000 0.449 92 L N 1.150 122.392 121.223 0.032 0.000 2.089 92 L HA -0.260 4.080 4.340 -0.000 0.000 0.213 92 L C 2.626 179.525 176.870 0.047 0.000 1.079 92 L CA 1.453 56.322 54.840 0.050 0.000 0.758 92 L CB -0.364 41.731 42.059 0.060 0.000 0.891 92 L HN 0.010 nan 8.230 nan 0.000 0.433 93 A N -0.792 122.050 122.820 0.036 0.000 1.930 93 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 93 A C 2.139 179.739 177.584 0.027 0.000 1.175 93 A CA 1.537 53.595 52.037 0.035 0.000 0.627 93 A CB -0.526 18.492 19.000 0.030 0.000 0.815 93 A HN 0.339 nan 8.150 nan 0.000 0.443 94 L N -0.188 121.044 121.223 0.016 0.000 2.131 94 L HA 0.040 4.380 4.340 -0.000 0.000 0.206 94 L C 2.109 178.979 176.870 0.001 0.000 1.087 94 L CA 1.317 56.160 54.840 0.006 0.000 0.767 94 L CB -0.450 41.605 42.059 -0.006 0.000 0.917 94 L HN 0.410 nan 8.230 nan 0.000 0.441 95 I N -1.009 119.560 120.570 -0.000 0.000 2.127 95 I HA -0.354 3.816 4.170 -0.000 0.000 0.241 95 I C 2.463 178.614 176.117 0.056 0.000 1.075 95 I CA 1.620 62.922 61.300 0.002 0.000 1.334 95 I CB -0.348 37.660 38.000 0.014 0.000 1.040 95 I HN 0.295 nan 8.210 nan 0.000 0.405 96 L N 0.164 121.425 121.223 0.064 0.000 1.956 96 L HA -0.292 4.048 4.340 -0.000 0.000 0.216 96 L C 2.683 179.586 176.870 0.055 0.000 1.073 96 L CA 2.080 56.964 54.840 0.073 0.000 0.762 96 L CB -0.496 41.600 42.059 0.061 0.000 0.889 96 L HN 0.223 nan 8.230 nan 0.000 0.433 97 T N -1.148 113.428 114.554 0.036 0.000 2.699 97 T HA -0.233 4.117 4.350 -0.000 0.000 0.268 97 T C 1.709 176.428 174.700 0.032 0.000 1.036 97 T CA 2.032 64.148 62.100 0.027 0.000 1.147 97 T CB -0.352 68.531 68.868 0.024 0.000 0.862 97 T HN 0.475 nan 8.240 nan 0.000 0.446 98 T N 1.940 116.514 114.554 0.033 0.000 2.708 98 T HA -0.134 4.216 4.350 -0.000 0.000 0.266 98 T C 1.986 176.724 174.700 0.062 0.000 1.037 98 T CA 1.690 63.810 62.100 0.033 0.000 1.146 98 T CB -0.260 68.612 68.868 0.006 0.000 0.865 98 T HN 0.775 nan 8.240 nan 0.000 0.435 99 E N -0.063 120.198 120.200 0.102 0.000 2.318 99 E HA 0.030 4.380 4.350 -0.000 0.000 0.193 99 E C 2.175 178.833 176.600 0.097 0.000 0.998 99 E CA 0.391 56.882 56.400 0.150 0.000 0.859 99 E CB 0.037 29.901 29.700 0.274 0.000 0.812 99 E HN 0.268 nan 8.360 nan 0.000 0.492 100 Q N -0.083 119.760 119.800 0.072 0.000 2.431 100 Q HA 0.113 4.453 4.340 -0.000 0.000 0.244 100 Q C 1.204 177.209 176.000 0.008 0.000 0.880 100 Q CA 1.288 57.126 55.803 0.059 0.000 0.954 100 Q CB 1.289 30.079 28.738 0.088 0.000 1.105 100 Q HN 0.443 nan 8.270 nan 0.000 0.558 101 G N 1.893 110.691 108.800 -0.003 0.000 2.278 101 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.210 101 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.210 101 G C 0.093 174.985 174.900 -0.014 0.000 1.000 101 G CA 0.199 45.277 45.100 -0.037 0.000 0.635 101 G HN 0.396 nan 8.290 nan 0.000 0.495 102 K N 1.523 121.918 120.400 -0.009 0.000 2.414 102 K HA 0.473 4.793 4.320 -0.000 0.000 0.272 102 K C -2.620 173.986 176.600 0.010 0.000 0.993 102 K CA -1.066 55.215 56.287 -0.010 0.000 0.964 102 K CB 0.605 33.071 32.500 -0.056 0.000 0.925 102 K HN 0.113 nan 8.250 nan 0.000 0.487 103 P HA -0.070 nan 4.420 nan 0.000 0.266 103 P C 0.918 178.231 177.300 0.021 0.000 1.195 103 P CA -0.182 62.936 63.100 0.030 0.000 0.768 103 P CB 0.497 32.217 31.700 0.033 0.000 0.838 104 L N 2.535 123.772 121.223 0.023 0.000 2.034 104 L HA -0.349 3.991 4.340 -0.000 0.000 0.217 104 L C 2.212 179.095 176.870 0.022 0.000 1.077 104 L CA 2.530 57.383 54.840 0.021 0.000 0.769 104 L CB -0.970 41.101 42.059 0.019 0.000 0.890 104 L HN 0.462 nan 8.230 nan 0.000 0.435 105 A N -0.735 122.099 122.820 0.022 0.000 1.948 105 A HA -0.258 4.062 4.320 -0.000 0.000 0.220 105 A C 2.083 179.684 177.584 0.029 0.000 1.177 105 A CA 1.985 54.037 52.037 0.024 0.000 0.636 105 A CB -0.421 18.593 19.000 0.023 0.000 0.815 105 A HN 0.555 nan 8.150 nan 0.000 0.449 106 E N -0.645 119.569 120.200 0.024 0.000 2.076 106 E HA 0.005 4.355 4.350 -0.000 0.000 0.190 106 E C 2.430 179.044 176.600 0.023 0.000 0.979 106 E CA 0.673 57.086 56.400 0.022 0.000 0.807 106 E CB -0.271 29.431 29.700 0.004 0.000 0.761 106 E HN 0.598 nan 8.360 nan 0.000 0.454 107 A N 2.144 124.972 122.820 0.015 0.000 1.892 107 A HA -0.274 4.046 4.320 -0.000 0.000 0.218 107 A C 1.989 179.604 177.584 0.052 0.000 1.188 107 A CA 1.746 53.798 52.037 0.025 0.000 0.631 107 A CB -0.416 18.597 19.000 0.023 0.000 0.822 107 A HN 0.068 nan 8.150 nan 0.000 0.447 108 K N -1.028 119.398 120.400 0.044 0.000 2.032 108 K HA -0.134 4.186 4.320 -0.000 0.000 0.209 108 K C 2.141 178.782 176.600 0.068 0.000 1.048 108 K CA 1.221 57.536 56.287 0.048 0.000 0.927 108 K CB -0.533 31.987 32.500 0.034 0.000 0.712 108 K HN 0.491 nan 8.250 nan 0.000 0.441 109 G N 1.424 110.266 108.800 0.071 0.000 2.422 109 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.218 109 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.218 109 G C 1.368 176.358 174.900 0.151 0.000 1.146 109 G CA 1.002 46.156 45.100 0.089 0.000 0.769 109 G HN 0.470 nan 8.290 nan 0.000 0.547 110 E N 0.032 120.337 120.200 0.176 0.000 2.106 110 E HA -0.097 4.253 4.350 -0.000 0.000 0.192 110 E C 2.347 179.117 176.600 0.283 0.000 0.984 110 E CA 0.606 57.188 56.400 0.304 0.000 0.806 110 E CB -0.115 29.748 29.700 0.271 0.000 0.750 110 E HN 0.299 nan 8.360 nan 0.000 0.458 111 I N 1.455 122.126 120.570 0.169 0.000 2.315 111 I HA -0.182 3.988 4.170 -0.000 0.000 0.248 111 I C 2.526 178.706 176.117 0.105 0.000 1.117 111 I CA 1.284 62.654 61.300 0.117 0.000 1.404 111 I CB -1.532 36.507 38.000 0.065 0.000 1.071 111 I HN 0.229 nan 8.210 nan 0.000 0.419 112 A N 0.089 122.980 122.820 0.119 0.000 1.898 112 A HA -0.272 4.048 4.320 -0.000 0.000 0.216 112 A C 2.362 180.046 177.584 0.168 0.000 1.181 112 A CA 1.359 53.464 52.037 0.113 0.000 0.620 112 A CB -1.064 17.995 19.000 0.098 0.000 0.819 112 A HN 0.434 nan 8.150 nan 0.000 0.442 113 Y N 0.752 121.091 120.300 0.065 0.000 2.145 113 Y HA -0.105 4.445 4.550 -0.000 0.000 0.286 113 Y C 2.675 178.659 175.900 0.140 0.000 1.145 113 Y CA 1.154 59.287 58.100 0.055 0.000 1.148 113 Y CB -0.726 37.801 38.460 0.113 0.000 0.981 113 Y HN 0.316 nan 8.280 nan 0.000 0.507 114 A N 0.699 123.634 122.820 0.191 0.000 1.851 114 A HA -0.193 4.127 4.320 -0.000 0.000 0.216 114 A C 2.506 180.133 177.584 0.073 0.000 1.195 114 A CA 2.499 54.610 52.037 0.123 0.000 0.622 114 A CB -1.695 17.367 19.000 0.103 0.000 0.831 114 A HN 0.635 nan 8.150 nan 0.000 0.444 115 A N 0.233 123.089 122.820 0.060 0.000 1.927 115 A HA -0.205 4.115 4.320 -0.000 0.000 0.220 115 A C 2.537 180.281 177.584 0.267 0.000 1.185 115 A CA 2.927 55.050 52.037 0.144 0.000 0.639 115 A CB -1.143 17.900 19.000 0.072 0.000 0.820 115 A HN 1.195 nan 8.150 nan 0.000 0.451 116 S N -1.416 114.345 115.700 0.102 0.000 2.423 116 S HA -0.085 4.384 4.470 -0.000 0.000 0.231 116 S C 1.700 176.191 174.600 -0.183 0.000 1.014 116 S CA 1.258 59.426 58.200 -0.053 0.000 0.965 116 S CB -0.718 62.399 63.200 -0.139 0.000 0.785 116 S HN 0.356 nan 8.310 nan 0.000 0.495 117 F N 1.885 121.775 119.950 -0.100 0.000 2.113 117 F HA 0.147 4.674 4.527 -0.000 0.000 0.297 117 F C 2.208 178.083 175.800 0.125 0.000 1.103 117 F CA 0.704 58.685 58.000 -0.032 0.000 1.248 117 F CB -0.632 38.337 39.000 -0.051 0.000 0.999 117 F HN 0.165 nan 8.300 nan 0.000 0.475 118 I N -0.029 120.673 120.570 0.220 0.000 2.127 118 I HA -0.332 3.838 4.170 -0.000 0.000 0.241 118 I C 2.542 178.707 176.117 0.080 0.000 1.075 118 I CA 1.927 63.308 61.300 0.135 0.000 1.334 118 I CB -0.581 37.359 38.000 -0.099 0.000 1.040 118 I HN 0.190 nan 8.210 nan 0.000 0.405 119 E N 0.780 120.903 120.200 -0.128 0.000 2.051 119 E HA -0.289 4.060 4.350 -0.000 0.000 0.192 119 E C 2.231 178.717 176.600 -0.190 0.000 0.991 119 E CA 1.554 57.710 56.400 -0.406 0.000 0.799 119 E CB -0.356 28.797 29.700 -0.913 0.000 0.748 119 E HN 0.601 nan 8.360 nan 0.000 0.449 120 W N 0.434 121.549 121.300 -0.309 0.000 2.318 120 W HA -0.261 4.399 4.660 -0.000 0.000 0.313 120 W C 1.468 177.775 176.519 -0.354 0.000 1.221 120 W CA 1.333 58.448 57.345 -0.384 0.000 1.266 120 W CB -0.412 28.710 29.460 -0.563 0.000 1.150 120 W HN 0.162 nan 8.180 nan 0.000 0.496 121 F N 0.662 120.675 119.950 0.105 0.000 2.456 121 F HA 0.033 4.560 4.527 -0.000 0.000 0.298 121 F C 2.648 178.424 175.800 -0.040 0.000 1.104 121 F CA 1.424 59.448 58.000 0.039 0.000 1.435 121 F CB -1.354 37.730 39.000 0.141 0.000 1.078 121 F HN -0.124 nan 8.300 nan 0.000 0.546 122 A N 0.341 123.221 122.820 0.099 0.000 1.908 122 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 122 A C 2.123 179.660 177.584 -0.078 0.000 1.181 122 A CA 2.010 54.066 52.037 0.031 0.000 0.627 122 A CB -0.677 18.326 19.000 0.006 0.000 0.818 122 A HN 0.451 nan 8.150 nan 0.000 0.445 123 E N -0.696 119.377 120.200 -0.212 0.000 2.072 123 E HA -0.138 4.212 4.350 -0.000 0.000 0.190 123 E C 1.980 178.391 176.600 -0.315 0.000 0.982 123 E CA 0.845 57.062 56.400 -0.304 0.000 0.803 123 E CB -0.163 29.259 29.700 -0.463 0.000 0.755 123 E HN 0.450 nan 8.360 nan 0.000 0.453 124 E N 0.646 120.621 120.200 -0.377 0.000 2.085 124 E HA -0.143 4.207 4.350 -0.000 0.000 0.194 124 E C 2.262 178.840 176.600 -0.036 0.000 0.994 124 E CA 1.169 57.443 56.400 -0.211 0.000 0.801 124 E CB -0.656 29.024 29.700 -0.034 0.000 0.743 124 E HN 0.374 nan 8.360 nan 0.000 0.453 125 G N 1.503 110.315 108.800 0.020 0.000 2.475 125 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.220 125 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.220 125 G C 1.392 176.286 174.900 -0.010 0.000 1.125 125 G CA 0.768 45.890 45.100 0.037 0.000 0.755 125 G HN 0.261 nan 8.290 nan 0.000 0.565 126 K N -0.222 120.148 120.400 -0.050 0.000 2.487 126 K HA 0.145 4.465 4.320 -0.000 0.000 0.192 126 K C 1.459 178.025 176.600 -0.057 0.000 1.027 126 K CA 0.143 56.395 56.287 -0.059 0.000 1.054 126 K CB 0.286 32.739 32.500 -0.078 0.000 0.824 126 K HN 0.209 nan 8.250 nan 0.000 0.510 127 R N 0.249 120.719 120.500 -0.051 0.000 2.549 127 R HA 0.135 4.475 4.340 -0.000 0.000 0.361 127 R C -0.465 175.826 176.300 -0.015 0.000 0.969 127 R CA -0.165 55.905 56.100 -0.050 0.000 1.158 127 R CB 1.152 31.398 30.300 -0.090 0.000 1.456 127 R HN -0.133 nan 8.270 nan 0.000 0.540 128 V N 2.068 121.990 119.914 0.014 0.000 2.450 128 V HA 0.270 4.390 4.120 -0.000 0.000 0.281 128 V C 0.410 176.521 176.094 0.028 0.000 1.019 128 V CA 0.026 62.352 62.300 0.044 0.000 1.062 128 V CB 0.666 32.529 31.823 0.067 0.000 0.979 128 V HN 0.243 nan 8.190 nan 0.000 0.477 129 A N 4.361 127.198 122.820 0.028 0.000 2.401 129 A HA 0.939 5.259 4.320 -0.000 0.000 0.310 129 A C 0.287 177.888 177.584 0.028 0.000 1.075 129 A CA 0.027 52.075 52.037 0.017 0.000 0.746 129 A CB 1.869 20.867 19.000 -0.003 0.000 1.277 129 A HN 0.901 nan 8.150 nan 0.000 0.425 130 G N -0.304 108.512 108.800 0.026 0.000 3.008 130 G HA2 0.653 4.613 3.960 -0.000 0.000 0.181 130 G HA3 0.653 4.613 3.960 -0.000 0.000 0.181 130 G C -1.190 173.724 174.900 0.024 0.000 1.309 130 G CA -0.435 44.685 45.100 0.033 0.000 1.009 130 G HN 0.660 nan 8.290 nan 0.000 0.584 131 D N 0.127 120.544 120.400 0.028 0.000 2.879 131 D HA 0.416 5.055 4.640 -0.000 0.000 0.236 131 D C -0.835 175.480 176.300 0.025 0.000 1.171 131 D CA -0.184 53.828 54.000 0.020 0.000 0.868 131 D CB 2.035 42.843 40.800 0.014 0.000 1.598 131 D HN 0.480 nan 8.370 nan 0.000 0.497 132 T N -0.230 114.335 114.554 0.018 0.000 2.772 132 T HA 0.659 5.009 4.350 -0.000 0.000 0.288 132 T C -0.128 174.579 174.700 0.012 0.000 0.994 132 T CA -0.658 61.454 62.100 0.021 0.000 0.951 132 T CB 0.597 69.475 68.868 0.017 0.000 0.933 132 T HN 0.200 nan 8.240 nan 0.000 0.447 133 L N 3.539 124.769 121.223 0.012 0.000 2.330 133 L HA 0.602 4.942 4.340 -0.000 0.000 0.271 133 L C -2.229 174.644 176.870 0.004 0.000 1.013 133 L CA -2.785 52.055 54.840 0.000 0.000 0.816 133 L CB 1.527 43.576 42.059 -0.017 0.000 1.287 133 L HN 0.427 nan 8.230 nan 0.000 0.435 134 P HA 0.047 nan 4.420 nan 0.000 0.267 134 P C -0.400 176.902 177.300 0.004 0.000 1.209 134 P CA -0.052 63.049 63.100 0.002 0.000 0.763 134 P CB 0.607 32.306 31.700 -0.001 0.000 0.816 135 T N 3.748 118.309 114.554 0.012 0.000 2.897 135 T HA 0.299 4.649 4.350 -0.000 0.000 0.294 135 T C -1.250 173.458 174.700 0.012 0.000 1.004 135 T CA -1.382 60.729 62.100 0.018 0.000 1.106 135 T CB 0.085 68.971 68.868 0.029 0.000 0.949 135 T HN 0.325 nan 8.240 nan 0.000 0.520 136 P HA 0.314 nan 4.420 nan 0.000 0.268 136 P C -0.551 176.759 177.300 0.016 0.000 1.329 136 P CA 0.144 63.250 63.100 0.010 0.000 0.899 136 P CB 0.434 32.137 31.700 0.005 0.000 1.378 137 D N -0.031 120.382 120.400 0.022 0.000 2.602 137 D HA 0.327 4.966 4.640 -0.000 0.000 0.245 137 D C 0.816 177.128 176.300 0.021 0.000 1.325 137 D CA -0.405 53.608 54.000 0.022 0.000 0.952 137 D CB 2.342 43.159 40.800 0.027 0.000 1.317 137 D HN -0.166 nan 8.370 nan 0.000 0.577 138 A N 4.107 126.936 122.820 0.015 0.000 1.997 138 A HA -0.250 4.070 4.320 -0.000 0.000 0.221 138 A C 1.541 179.133 177.584 0.014 0.000 1.172 138 A CA 1.378 53.423 52.037 0.013 0.000 0.645 138 A CB -0.231 18.775 19.000 0.010 0.000 0.813 138 A HN 0.606 nan 8.150 nan 0.000 0.454 139 N N -0.583 118.126 118.700 0.015 0.000 2.515 139 N HA 0.047 4.787 4.740 -0.000 0.000 0.185 139 N C -0.022 175.498 175.510 0.018 0.000 1.109 139 N CA 0.788 53.846 53.050 0.014 0.000 0.903 139 N CB 0.056 38.550 38.487 0.011 0.000 0.969 139 N HN 0.429 nan 8.380 nan 0.000 0.450 140 K N -0.133 120.283 120.400 0.026 0.000 2.340 140 K HA 0.486 4.806 4.320 -0.000 0.000 0.244 140 K C -0.612 176.014 176.600 0.043 0.000 0.973 140 K CA -0.573 55.736 56.287 0.037 0.000 0.828 140 K CB 1.653 34.186 32.500 0.055 0.000 1.226 140 K HN -0.247 nan 8.250 nan 0.000 0.437 141 R N 1.160 121.691 120.500 0.051 0.000 2.621 141 R HA 0.526 4.866 4.340 -0.000 0.000 0.292 141 R C -0.967 175.395 176.300 0.104 0.000 0.969 141 R CA -0.498 55.637 56.100 0.059 0.000 0.887 141 R CB 0.984 31.307 30.300 0.038 0.000 1.180 141 R HN 0.578 nan 8.270 nan 0.000 0.450 142 I N 3.483 124.121 120.570 0.113 0.000 2.306 142 I HA 0.335 4.505 4.170 -0.000 0.000 0.288 142 I C -0.451 175.745 176.117 0.131 0.000 1.036 142 I CA -0.895 60.513 61.300 0.180 0.000 1.221 142 I CB 1.306 39.371 38.000 0.108 0.000 1.385 142 I HN 0.066 nan 8.210 nan 0.000 0.472 143 V N 7.302 127.310 119.914 0.157 0.000 2.483 143 V HA 0.453 4.572 4.120 -0.000 0.000 0.295 143 V C 0.022 176.207 176.094 0.153 0.000 1.035 143 V CA -0.657 61.709 62.300 0.109 0.000 0.896 143 V CB 2.327 34.190 31.823 0.067 0.000 0.986 143 V HN 0.385 nan 8.190 nan 0.000 0.447 144 V N 5.375 125.352 119.914 0.105 0.000 2.487 144 V HA 0.694 4.814 4.120 -0.000 0.000 0.298 144 V C -0.236 175.903 176.094 0.074 0.000 1.028 144 V CA -0.561 61.803 62.300 0.107 0.000 0.860 144 V CB 1.855 33.722 31.823 0.074 0.000 0.991 144 V HN 0.779 nan 8.190 nan 0.000 0.427 145 V N 2.205 122.164 119.914 0.076 0.000 3.074 145 V HA 0.769 4.889 4.120 -0.000 0.000 0.314 145 V C -0.804 175.331 176.094 0.067 0.000 1.117 145 V CA -0.976 61.359 62.300 0.059 0.000 1.014 145 V CB 2.369 34.219 31.823 0.045 0.000 1.057 145 V HN 0.798 nan 8.190 nan 0.000 0.438 146 K N 1.798 122.236 120.400 0.064 0.000 2.316 146 K HA 0.703 5.023 4.320 -0.000 0.000 0.251 146 K C -1.045 175.605 176.600 0.084 0.000 0.934 146 K CA -0.575 55.760 56.287 0.079 0.000 0.802 146 K CB 2.318 34.867 32.500 0.082 0.000 1.171 146 K HN 0.996 nan 8.250 nan 0.000 0.426 147 E N 1.644 121.908 120.200 0.108 0.000 2.429 147 E HA 0.432 4.782 4.350 -0.000 0.000 0.276 147 E C -2.918 173.797 176.600 0.192 0.000 0.953 147 E CA -2.573 53.907 56.400 0.133 0.000 0.787 147 E CB 1.633 31.402 29.700 0.116 0.000 1.307 147 E HN 0.167 nan 8.360 nan 0.000 0.458 148 P HA -0.012 nan 4.420 nan 0.000 0.267 148 P C 0.453 177.940 177.300 0.313 0.000 1.200 148 P CA 0.081 63.376 63.100 0.325 0.000 0.772 148 P CB 1.020 33.033 31.700 0.521 0.000 0.855 149 I N 0.763 121.417 120.570 0.140 0.000 2.439 149 I HA 0.030 4.200 4.170 -0.000 0.000 0.251 149 I C 0.965 177.004 176.117 -0.131 0.000 1.139 149 I CA 1.756 63.081 61.300 0.041 0.000 1.438 149 I CB -0.366 37.626 38.000 -0.013 0.000 1.085 149 I HN 0.719 nan 8.210 nan 0.000 0.427 150 G N -0.594 107.888 108.800 -0.530 0.000 2.298 150 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.309 150 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.309 150 G C -0.850 173.516 174.900 -0.890 0.000 1.279 150 G CA -0.398 43.929 45.100 -1.288 0.000 1.042 150 G HN -0.001 nan 8.290 nan 0.000 0.480 151 V N 0.336 119.843 119.914 -0.679 0.000 2.540 151 V HA 0.310 4.430 4.120 -0.000 0.000 0.297 151 V C 0.958 176.914 176.094 -0.229 0.000 1.024 151 V CA 0.231 62.307 62.300 -0.374 0.000 1.105 151 V CB -0.141 31.549 31.823 -0.222 0.000 0.938 151 V HN 0.878 nan 8.190 nan 0.000 0.482 152 C N 4.276 123.482 119.300 -0.156 0.000 2.486 152 C HA 0.965 5.425 4.460 -0.000 0.000 0.348 152 C C 0.549 175.516 174.990 -0.039 0.000 1.203 152 C CA -0.612 58.369 59.018 -0.062 0.000 1.911 152 C CB 1.204 28.974 27.740 0.051 0.000 2.340 152 C HN 1.043 nan 8.230 nan 0.000 0.511 153 A N 0.646 123.460 122.820 -0.011 0.000 2.498 153 A HA 0.964 5.284 4.320 -0.000 0.000 0.298 153 A C -1.033 176.572 177.584 0.036 0.000 1.075 153 A CA -0.329 51.709 52.037 0.002 0.000 0.714 153 A CB 1.253 20.248 19.000 -0.008 0.000 1.299 153 A HN 1.623 nan 8.150 nan 0.000 0.407 154 A N 1.119 123.964 122.820 0.043 0.000 2.398 154 A HA 0.729 5.049 4.320 -0.000 0.000 0.301 154 A C -1.155 176.473 177.584 0.073 0.000 1.041 154 A CA -0.249 51.824 52.037 0.060 0.000 0.711 154 A CB 0.703 19.730 19.000 0.045 0.000 1.240 154 A HN 0.737 nan 8.150 nan 0.000 0.420 155 I N 2.665 123.304 120.570 0.115 0.000 2.389 155 I HA 0.456 4.625 4.170 -0.000 0.000 0.288 155 I C 0.266 176.416 176.117 0.056 0.000 0.999 155 I CA -0.238 61.153 61.300 0.150 0.000 1.129 155 I CB 2.330 40.519 38.000 0.315 0.000 1.288 155 I HN 0.745 nan 8.210 nan 0.000 0.444 156 T N 4.059 118.625 114.554 0.021 0.000 2.912 156 T HA 0.688 5.038 4.350 -0.000 0.000 0.288 156 T C -2.692 171.977 174.700 -0.052 0.000 1.030 156 T CA -2.062 60.008 62.100 -0.051 0.000 1.020 156 T CB 2.177 71.037 68.868 -0.013 0.000 1.056 156 T HN 0.206 nan 8.240 nan 0.000 0.480 157 P HA 0.289 nan 4.420 nan 0.000 0.284 157 P C 0.740 177.986 177.300 -0.090 0.000 1.292 157 P CA -0.874 62.111 63.100 -0.192 0.000 0.800 157 P CB 0.944 32.397 31.700 -0.412 0.000 1.188 158 W N 0.487 121.789 121.300 0.002 0.000 2.942 158 W HA 0.016 4.676 4.660 -0.000 0.000 0.263 158 W C 1.003 177.535 176.519 0.021 0.000 1.296 158 W CA 0.208 57.560 57.345 0.012 0.000 1.504 158 W CB -1.642 27.811 29.460 -0.010 0.000 1.096 158 W HN 0.207 nan 8.180 nan 0.000 0.639 159 N N 1.593 120.007 118.700 -0.477 0.000 2.166 159 N HA -0.189 4.551 4.740 -0.000 0.000 0.186 159 N C -0.135 175.326 175.510 -0.081 0.000 1.019 159 N CA 0.977 53.856 53.050 -0.285 0.000 0.856 159 N CB -1.009 37.207 38.487 -0.452 0.000 0.993 159 N HN 0.106 nan 8.380 nan 0.000 0.426 160 F N 0.571 120.485 119.950 -0.060 0.000 2.564 160 F HA 0.379 4.906 4.527 -0.000 0.000 0.361 160 F C -1.882 173.942 175.800 0.040 0.000 1.161 160 F CA -2.035 55.979 58.000 0.024 0.000 1.198 160 F CB 2.221 41.238 39.000 0.028 0.000 1.424 160 F HN -0.143 nan 8.300 nan 0.000 0.517 161 P HA -0.055 nan 4.420 nan 0.000 0.230 161 P C 1.020 178.411 177.300 0.151 0.000 1.158 161 P CA 0.854 64.044 63.100 0.150 0.000 0.769 161 P CB 0.436 32.225 31.700 0.149 0.000 0.807 162 A N -0.167 122.755 122.820 0.172 0.000 1.969 162 A HA 0.403 4.723 4.320 -0.000 0.000 0.205 162 A C 2.227 179.901 177.584 0.151 0.000 1.364 162 A CA 0.843 52.976 52.037 0.161 0.000 0.756 162 A CB -1.218 17.875 19.000 0.156 0.000 0.988 162 A HN 0.090 nan 8.150 nan 0.000 0.490 163 A N -0.266 122.684 122.820 0.218 0.000 1.940 163 A HA -0.164 4.156 4.320 -0.000 0.000 0.219 163 A C 2.144 179.703 177.584 -0.041 0.000 1.176 163 A CA 2.071 54.197 52.037 0.149 0.000 0.631 163 A CB -0.575 18.637 19.000 0.352 0.000 0.814 163 A HN 0.410 nan 8.150 nan 0.000 0.446 164 M N -0.462 119.139 119.600 0.002 0.000 2.159 164 M HA -0.103 4.377 4.480 -0.000 0.000 0.263 164 M C 2.015 178.280 176.300 -0.058 0.000 1.063 164 M CA 1.158 56.409 55.300 -0.082 0.000 1.110 164 M CB -1.151 31.428 32.600 -0.035 0.000 1.374 164 M HN 0.318 nan 8.290 nan 0.000 0.411 165 I N 0.405 120.990 120.570 0.026 0.000 2.142 165 I HA -0.185 3.985 4.170 -0.000 0.000 0.240 165 I C 2.648 178.816 176.117 0.084 0.000 1.078 165 I CA 1.559 62.906 61.300 0.079 0.000 1.343 165 I CB -1.839 36.255 38.000 0.156 0.000 1.046 165 I HN 0.166 nan 8.210 nan 0.000 0.405 166 A N 0.413 123.263 122.820 0.050 0.000 1.933 166 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 166 A C 2.483 180.034 177.584 -0.056 0.000 1.175 166 A CA 1.321 53.371 52.037 0.021 0.000 0.628 166 A CB -0.619 18.363 19.000 -0.030 0.000 0.814 166 A HN 0.311 nan 8.150 nan 0.000 0.444 167 R N -0.859 119.482 120.500 -0.266 0.000 2.189 167 R HA -0.007 4.333 4.340 -0.000 0.000 0.223 167 R C 1.567 177.675 176.300 -0.321 0.000 1.092 167 R CA 1.334 57.127 56.100 -0.513 0.000 0.989 167 R CB -0.025 29.805 30.300 -0.784 0.000 0.876 167 R HN 0.471 nan 8.270 nan 0.000 0.457 168 K N -1.267 119.019 120.400 -0.190 0.000 2.399 168 K HA 0.115 4.435 4.320 -0.000 0.000 0.196 168 K C 1.495 178.006 176.600 -0.148 0.000 1.103 168 K CA 0.100 56.308 56.287 -0.132 0.000 0.986 168 K CB 0.944 33.418 32.500 -0.044 0.000 0.952 168 K HN -0.057 nan 8.250 nan 0.000 0.541 169 V N 0.508 120.383 119.914 -0.065 0.000 2.500 169 V HA -0.034 4.086 4.120 -0.000 0.000 0.243 169 V C 2.214 178.297 176.094 -0.018 0.000 1.039 169 V CA 1.902 64.199 62.300 -0.006 0.000 1.053 169 V CB -0.303 31.613 31.823 0.156 0.000 0.695 169 V HN 0.402 nan 8.190 nan 0.000 0.463 170 G N 2.025 110.857 108.800 0.053 0.000 2.586 170 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.218 170 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.218 170 G C 0.046 174.821 174.900 -0.208 0.000 1.216 170 G CA 1.522 46.679 45.100 0.095 0.000 0.786 170 G HN 0.545 nan 8.290 nan 0.000 0.583 171 P HA 0.022 nan 4.420 nan 0.000 0.219 171 P C 2.014 178.839 177.300 -0.792 0.000 1.150 171 P CA 1.875 64.321 63.100 -1.089 0.000 0.814 171 P CB -0.136 30.563 31.700 -1.669 0.000 0.787 172 A N 0.381 122.658 122.820 -0.906 0.000 1.835 172 A HA -0.175 4.145 4.320 -0.000 0.000 0.215 172 A C 2.259 179.794 177.584 -0.081 0.000 1.199 172 A CA 1.726 53.453 52.037 -0.517 0.000 0.615 172 A CB -1.712 17.111 19.000 -0.295 0.000 0.838 172 A HN 0.065 nan 8.150 nan 0.000 0.444 173 L N -0.193 121.037 121.223 0.013 0.000 2.013 173 L HA -0.213 4.127 4.340 -0.000 0.000 0.212 173 L C 3.060 180.197 176.870 0.444 0.000 1.073 173 L CA 2.174 57.199 54.840 0.308 0.000 0.753 173 L CB -0.989 41.208 42.059 0.230 0.000 0.890 173 L HN 0.437 nan 8.230 nan 0.000 0.432 174 A N -0.750 122.209 122.820 0.232 0.000 1.917 174 A HA -0.231 4.089 4.320 -0.000 0.000 0.219 174 A C 2.363 180.022 177.584 0.126 0.000 1.182 174 A CA 2.010 54.152 52.037 0.175 0.000 0.633 174 A CB -0.989 18.117 19.000 0.177 0.000 0.819 174 A HN 0.426 nan 8.150 nan 0.000 0.448 175 A N -2.082 120.806 122.820 0.113 0.000 2.209 175 A HA 0.382 4.701 4.320 -0.000 0.000 0.212 175 A C 1.780 179.475 177.584 0.184 0.000 1.158 175 A CA 1.345 53.463 52.037 0.135 0.000 0.742 175 A CB -0.904 18.185 19.000 0.147 0.000 0.790 175 A HN 2.034 nan 8.150 nan 0.000 0.472 176 G N -2.422 106.528 108.800 0.251 0.000 2.131 176 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.201 176 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.201 176 G C -0.075 175.200 174.900 0.626 0.000 1.000 176 G CA -0.128 45.158 45.100 0.309 0.000 0.680 176 G HN 0.601 nan 8.290 nan 0.000 0.514 177 C N 1.899 121.487 119.300 0.479 0.000 2.411 177 C HA 0.785 5.245 4.460 -0.000 0.000 0.330 177 C C -1.477 173.532 174.990 0.032 0.000 1.224 177 C CA -1.447 57.673 59.018 0.170 0.000 1.770 177 C CB 1.884 29.653 27.740 0.048 0.000 2.297 177 C HN 0.438 nan 8.230 nan 0.000 0.507 178 P HA 0.522 nan 4.420 nan 0.000 0.279 178 P C -1.014 176.184 177.300 -0.172 0.000 1.252 178 P CA -0.156 62.821 63.100 -0.205 0.000 0.811 178 P CB 1.348 32.955 31.700 -0.154 0.000 1.035 179 I N 0.458 120.931 120.570 -0.162 0.000 2.722 179 I HA 0.317 4.487 4.170 -0.000 0.000 0.295 179 I C -1.449 174.612 176.117 -0.093 0.000 1.161 179 I CA -1.214 60.023 61.300 -0.104 0.000 1.032 179 I CB 2.408 40.364 38.000 -0.074 0.000 1.244 179 I HN -0.038 nan 8.210 nan 0.000 0.421 180 V N 7.319 127.196 119.914 -0.063 0.000 2.417 180 V HA 0.473 4.593 4.120 -0.000 0.000 0.291 180 V C -0.479 175.605 176.094 -0.017 0.000 1.024 180 V CA -0.535 61.736 62.300 -0.048 0.000 0.861 180 V CB 1.770 33.562 31.823 -0.051 0.000 0.985 180 V HN 0.425 nan 8.190 nan 0.000 0.436 181 V N 4.982 124.893 119.914 -0.004 0.000 2.448 181 V HA 0.510 4.630 4.120 -0.000 0.000 0.295 181 V C -0.019 176.096 176.094 0.036 0.000 1.025 181 V CA -0.889 61.423 62.300 0.021 0.000 0.859 181 V CB 1.916 33.756 31.823 0.028 0.000 0.988 181 V HN 0.769 nan 8.190 nan 0.000 0.431 182 K N 7.364 127.794 120.400 0.049 0.000 2.414 182 K HA 0.429 4.749 4.320 -0.000 0.000 0.251 182 K C -2.686 173.959 176.600 0.076 0.000 1.037 182 K CA -1.754 54.571 56.287 0.062 0.000 0.980 182 K CB 2.008 34.544 32.500 0.060 0.000 1.280 182 K HN 0.404 nan 8.250 nan 0.000 0.451 183 P HA 0.118 nan 4.420 nan 0.000 0.277 183 P C -0.602 176.758 177.300 0.101 0.000 1.271 183 P CA -0.478 62.673 63.100 0.086 0.000 0.795 183 P CB 0.599 32.352 31.700 0.088 0.000 1.101 184 A N 1.355 124.245 122.820 0.117 0.000 2.462 184 A HA 0.102 4.422 4.320 -0.000 0.000 0.243 184 A C 1.483 179.144 177.584 0.129 0.000 1.076 184 A CA -0.310 51.816 52.037 0.149 0.000 0.773 184 A CB -0.176 18.970 19.000 0.244 0.000 1.010 184 A HN 0.597 nan 8.150 nan 0.000 0.493 185 E N 2.111 122.365 120.200 0.092 0.000 2.347 185 E HA -0.088 4.262 4.350 -0.000 0.000 0.196 185 E C 1.582 178.246 176.600 0.106 0.000 1.008 185 E CA 1.238 57.688 56.400 0.083 0.000 0.852 185 E CB -0.638 28.942 29.700 -0.201 0.000 0.783 185 E HN 0.522 nan 8.360 nan 0.000 0.505 186 S N 0.790 116.528 115.700 0.064 0.000 2.382 186 S HA -0.070 4.400 4.470 -0.000 0.000 0.228 186 S C 1.333 175.976 174.600 0.072 0.000 1.027 186 S CA 1.658 59.880 58.200 0.037 0.000 0.991 186 S CB -0.039 63.113 63.200 -0.080 0.000 0.823 186 S HN 0.579 nan 8.310 nan 0.000 0.469 187 T N -1.335 113.278 114.554 0.099 0.000 3.734 187 T HA 0.345 4.695 4.350 -0.000 0.000 0.238 187 T C -2.609 172.124 174.700 0.056 0.000 1.205 187 T CA -1.062 61.097 62.100 0.099 0.000 1.606 187 T CB 1.475 70.446 68.868 0.173 0.000 0.832 187 T HN 0.066 nan 8.240 nan 0.000 0.655 188 P HA 0.240 nan 4.420 nan 0.000 0.252 188 P C 0.995 178.257 177.300 -0.063 0.000 1.218 188 P CA -0.148 62.902 63.100 -0.083 0.000 0.807 188 P CB -0.095 31.512 31.700 -0.155 0.000 1.072 189 F N 1.037 121.014 119.950 0.046 0.000 2.146 189 F HA -0.098 4.429 4.527 -0.000 0.000 0.298 189 F C 2.547 178.372 175.800 0.040 0.000 1.096 189 F CA 1.317 59.318 58.000 0.001 0.000 1.275 189 F CB -1.552 37.422 39.000 -0.043 0.000 1.008 189 F HN -0.100 nan 8.300 nan 0.000 0.480 190 S N 0.090 115.936 115.700 0.245 0.000 2.370 190 S HA -0.209 4.261 4.470 -0.000 0.000 0.226 190 S C 2.399 177.109 174.600 0.184 0.000 1.033 190 S CA 1.132 59.445 58.200 0.188 0.000 1.011 190 S CB -0.785 62.512 63.200 0.163 0.000 0.852 190 S HN 0.371 nan 8.310 nan 0.000 0.457 191 A N 1.437 124.356 122.820 0.164 0.000 1.877 191 A HA -0.020 4.300 4.320 -0.000 0.000 0.216 191 A C 2.137 179.830 177.584 0.182 0.000 1.186 191 A CA 1.214 53.347 52.037 0.159 0.000 0.620 191 A CB -0.751 18.323 19.000 0.123 0.000 0.822 191 A HN 0.452 nan 8.150 nan 0.000 0.443 192 L N -0.841 120.501 121.223 0.200 0.000 2.056 192 L HA -0.180 4.160 4.340 -0.000 0.000 0.207 192 L C 3.130 180.181 176.870 0.301 0.000 1.078 192 L CA 0.957 55.966 54.840 0.282 0.000 0.749 192 L CB -0.678 41.549 42.059 0.281 0.000 0.901 192 L HN 0.448 nan 8.230 nan 0.000 0.433 193 A N 0.122 123.081 122.820 0.233 0.000 1.859 193 A HA -0.269 4.051 4.320 -0.000 0.000 0.217 193 A C 2.332 180.098 177.584 0.303 0.000 1.198 193 A CA 1.946 54.124 52.037 0.235 0.000 0.629 193 A CB -0.531 18.574 19.000 0.176 0.000 0.830 193 A HN 0.288 nan 8.150 nan 0.000 0.446 194 M N -0.491 119.285 119.600 0.294 0.000 2.144 194 M HA -0.214 4.265 4.480 -0.000 0.000 0.260 194 M C 2.486 178.980 176.300 0.323 0.000 1.067 194 M CA 1.766 57.313 55.300 0.412 0.000 1.095 194 M CB -1.526 31.330 32.600 0.427 0.000 1.365 194 M HN 0.537 nan 8.290 nan 0.000 0.406 195 A N -0.360 122.549 122.820 0.149 0.000 1.898 195 A HA -0.190 4.130 4.320 -0.000 0.000 0.216 195 A C 2.059 179.551 177.584 -0.154 0.000 1.181 195 A CA 1.298 53.250 52.037 -0.141 0.000 0.620 195 A CB -1.020 17.843 19.000 -0.229 0.000 0.819 195 A HN 0.434 nan 8.150 nan 0.000 0.442 196 F N 0.746 120.714 119.950 0.029 0.000 2.134 196 F HA -0.123 4.404 4.527 -0.000 0.000 0.299 196 F C 1.871 177.691 175.800 0.035 0.000 1.097 196 F CA 1.438 59.505 58.000 0.113 0.000 1.264 196 F CB -0.306 38.758 39.000 0.107 0.000 1.001 196 F HN 0.136 nan 8.300 nan 0.000 0.479 197 L N -0.319 120.914 121.223 0.017 0.000 2.056 197 L HA -0.169 4.171 4.340 -0.000 0.000 0.207 197 L C 2.808 179.612 176.870 -0.110 0.000 1.078 197 L CA 1.144 55.989 54.840 0.008 0.000 0.749 197 L CB -1.336 40.923 42.059 0.333 0.000 0.901 197 L HN 0.218 nan 8.230 nan 0.000 0.433 198 A N -0.054 122.504 122.820 -0.437 0.000 1.908 198 A HA -0.281 4.039 4.320 -0.000 0.000 0.218 198 A C 2.268 179.587 177.584 -0.442 0.000 1.181 198 A CA 2.006 53.500 52.037 -0.906 0.000 0.627 198 A CB -0.568 17.648 19.000 -1.306 0.000 0.818 198 A HN 0.498 nan 8.150 nan 0.000 0.445 199 E N -0.434 119.563 120.200 -0.339 0.000 2.038 199 E HA -0.226 4.124 4.350 -0.000 0.000 0.195 199 E C 2.255 178.768 176.600 -0.144 0.000 1.000 199 E CA 1.103 57.398 56.400 -0.175 0.000 0.803 199 E CB -0.182 29.474 29.700 -0.074 0.000 0.750 199 E HN 0.532 nan 8.360 nan 0.000 0.448 200 R N -0.504 119.855 120.500 -0.235 0.000 2.241 200 R HA -0.075 4.265 4.340 -0.000 0.000 0.224 200 R C 1.983 178.235 176.300 -0.080 0.000 1.101 200 R CA 0.815 56.800 56.100 -0.193 0.000 0.995 200 R CB -0.059 30.048 30.300 -0.321 0.000 0.870 200 R HN 0.187 nan 8.270 nan 0.000 0.463 201 A N -0.813 121.972 122.820 -0.058 0.000 2.123 201 A HA 0.165 4.485 4.320 -0.000 0.000 0.214 201 A C 1.329 178.937 177.584 0.038 0.000 1.152 201 A CA 1.079 53.135 52.037 0.032 0.000 0.728 201 A CB 0.296 19.365 19.000 0.115 0.000 0.814 201 A HN 0.425 nan 8.150 nan 0.000 0.464 202 G N -1.822 106.978 108.800 -0.000 0.000 2.159 202 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.170 202 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.170 202 G C 0.045 174.971 174.900 0.043 0.000 1.007 202 G CA -0.135 44.985 45.100 0.035 0.000 0.672 202 G HN 0.669 nan 8.290 nan 0.000 0.507 203 V N 3.532 123.423 119.914 -0.039 0.000 2.434 203 V HA 0.256 4.376 4.120 -0.000 0.000 0.281 203 V C -0.865 175.168 176.094 -0.102 0.000 1.005 203 V CA -0.622 61.603 62.300 -0.124 0.000 1.089 203 V CB 0.449 32.081 31.823 -0.317 0.000 0.978 203 V HN 0.312 nan 8.190 nan 0.000 0.474 204 P HA 0.150 nan 4.420 nan 0.000 0.267 204 P C 0.004 177.257 177.300 -0.079 0.000 1.200 204 P CA -0.085 63.008 63.100 -0.012 0.000 0.772 204 P CB 0.300 32.047 31.700 0.078 0.000 0.855 205 K N 1.505 121.873 120.400 -0.053 0.000 2.466 205 K HA 0.316 4.635 4.320 -0.000 0.000 0.278 205 K C 1.344 177.863 176.600 -0.135 0.000 1.048 205 K CA 0.376 56.601 56.287 -0.104 0.000 1.088 205 K CB -1.487 30.959 32.500 -0.090 0.000 0.884 205 K HN 0.936 nan 8.250 nan 0.000 0.478 206 G N 0.542 109.223 108.800 -0.199 0.000 2.218 206 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.216 206 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.216 206 G C 1.301 176.091 174.900 -0.184 0.000 0.994 206 G CA 0.399 45.388 45.100 -0.185 0.000 0.637 206 G HN 1.032 nan 8.290 nan 0.000 0.505 207 V N 0.044 119.814 119.914 -0.241 0.000 2.453 207 V HA 0.292 4.412 4.120 -0.000 0.000 0.247 207 V C 1.130 177.020 176.094 -0.340 0.000 1.048 207 V CA 1.965 64.040 62.300 -0.374 0.000 1.049 207 V CB 0.102 31.505 31.823 -0.699 0.000 0.672 207 V HN 0.553 nan 8.190 nan 0.000 0.457 208 L N -0.217 120.849 121.223 -0.262 0.000 2.349 208 L HA 0.625 4.965 4.340 -0.000 0.000 0.278 208 L C -0.490 176.337 176.870 -0.073 0.000 0.996 208 L CA 0.322 55.055 54.840 -0.178 0.000 0.825 208 L CB 1.924 43.847 42.059 -0.225 0.000 1.243 208 L HN -0.033 nan 8.230 nan 0.000 0.412 209 S N 3.388 119.041 115.700 -0.080 0.000 2.536 209 S HA 0.819 5.289 4.470 -0.000 0.000 0.298 209 S C -1.055 173.540 174.600 -0.009 0.000 1.083 209 S CA -0.623 57.536 58.200 -0.069 0.000 0.995 209 S CB 2.108 65.229 63.200 -0.132 0.000 1.058 209 S HN 0.412 nan 8.310 nan 0.000 0.488 210 V N 3.032 122.959 119.914 0.022 0.000 2.380 210 V HA 0.386 4.505 4.120 -0.000 0.000 0.286 210 V C -0.652 175.465 176.094 0.038 0.000 1.015 210 V CA -0.628 61.697 62.300 0.041 0.000 0.834 210 V CB 1.416 33.280 31.823 0.068 0.000 1.009 210 V HN 0.707 nan 8.190 nan 0.000 0.428 211 V N 6.277 126.212 119.914 0.035 0.000 2.427 211 V HA 0.558 4.677 4.120 -0.000 0.000 0.286 211 V C -0.064 176.073 176.094 0.071 0.000 1.034 211 V CA -0.429 61.895 62.300 0.039 0.000 0.893 211 V CB 1.828 33.664 31.823 0.022 0.000 0.982 211 V HN 0.640 nan 8.190 nan 0.000 0.452 212 I N 3.411 124.035 120.570 0.090 0.000 2.498 212 I HA 0.816 4.986 4.170 -0.000 0.000 0.290 212 I C 0.655 176.892 176.117 0.199 0.000 1.032 212 I CA -0.009 61.375 61.300 0.141 0.000 1.073 212 I CB 1.855 39.919 38.000 0.106 0.000 1.251 212 I HN 0.877 nan 8.210 nan 0.000 0.426 213 G N 5.195 114.164 108.800 0.282 0.000 2.374 213 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.067 213 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.067 213 G C -1.439 173.507 174.900 0.076 0.000 1.023 213 G CA -0.541 44.741 45.100 0.303 0.000 1.131 213 G HN 0.495 nan 8.290 nan 0.000 0.436 214 D N 2.290 122.717 120.400 0.044 0.000 2.365 214 D HA 0.559 5.199 4.640 -0.000 0.000 0.237 214 D C -0.974 175.319 176.300 -0.011 0.000 1.190 214 D CA -1.972 52.019 54.000 -0.015 0.000 0.867 214 D CB 1.759 42.560 40.800 0.002 0.000 1.050 214 D HN -0.033 nan 8.370 nan 0.000 0.491 215 P HA -0.162 nan 4.420 nan 0.000 0.216 215 P C 1.204 178.500 177.300 -0.007 0.000 1.150 215 P CA 1.822 64.918 63.100 -0.006 0.000 0.837 215 P CB 0.161 31.856 31.700 -0.010 0.000 0.786 216 K N 0.021 120.411 120.400 -0.017 0.000 2.025 216 K HA 0.054 4.374 4.320 -0.000 0.000 0.207 216 K C 2.287 178.878 176.600 -0.015 0.000 1.049 216 K CA 1.699 57.974 56.287 -0.019 0.000 0.933 216 K CB -1.667 30.820 32.500 -0.022 0.000 0.714 216 K HN 0.167 nan 8.250 nan 0.000 0.438 217 A N 1.101 123.915 122.820 -0.009 0.000 1.858 217 A HA 0.011 4.331 4.320 -0.000 0.000 0.216 217 A C 2.464 180.047 177.584 -0.002 0.000 1.190 217 A CA 1.664 53.698 52.037 -0.004 0.000 0.617 217 A CB -0.415 18.587 19.000 0.003 0.000 0.827 217 A HN 0.481 nan 8.150 nan 0.000 0.443 218 I N -0.080 120.493 120.570 0.005 0.000 2.264 218 I HA -0.216 3.954 4.170 -0.000 0.000 0.248 218 I C 2.634 178.751 176.117 0.001 0.000 1.111 218 I CA 1.155 62.460 61.300 0.009 0.000 1.382 218 I CB -0.607 37.407 38.000 0.023 0.000 1.060 218 I HN 0.400 nan 8.210 nan 0.000 0.418 219 G N 0.199 108.997 108.800 -0.004 0.000 2.402 219 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.216 219 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.216 219 G C 1.664 176.547 174.900 -0.028 0.000 1.162 219 G CA 1.256 46.346 45.100 -0.017 0.000 0.777 219 G HN 0.303 nan 8.290 nan 0.000 0.539 220 T N 0.613 115.152 114.554 -0.025 0.000 2.867 220 T HA -0.052 4.298 4.350 -0.000 0.000 0.268 220 T C 2.169 176.856 174.700 -0.022 0.000 1.057 220 T CA 1.511 63.595 62.100 -0.026 0.000 1.136 220 T CB -0.041 68.814 68.868 -0.022 0.000 0.874 220 T HN 0.361 nan 8.240 nan 0.000 0.466 221 E N 1.268 121.458 120.200 -0.016 0.000 2.072 221 E HA -0.022 4.328 4.350 -0.000 0.000 0.191 221 E C 1.973 178.562 176.600 -0.019 0.000 0.985 221 E CA 0.947 57.337 56.400 -0.015 0.000 0.801 221 E CB -0.528 29.166 29.700 -0.011 0.000 0.750 221 E HN 0.511 nan 8.360 nan 0.000 0.452 222 I N 0.488 121.047 120.570 -0.019 0.000 2.179 222 I HA -0.291 3.879 4.170 -0.000 0.000 0.242 222 I C 2.373 178.473 176.117 -0.028 0.000 1.088 222 I CA 1.863 63.150 61.300 -0.022 0.000 1.357 222 I CB -0.591 37.400 38.000 -0.015 0.000 1.051 222 I HN 0.303 nan 8.210 nan 0.000 0.409 223 T N -2.433 112.102 114.554 -0.033 0.000 2.985 223 T HA -0.077 4.273 4.350 -0.000 0.000 0.266 223 T C 1.936 176.617 174.700 -0.032 0.000 1.076 223 T CA 1.023 63.100 62.100 -0.038 0.000 1.135 223 T CB -0.404 68.434 68.868 -0.050 0.000 0.890 223 T HN 0.435 nan 8.240 nan 0.000 0.480 224 S N 1.408 117.092 115.700 -0.027 0.000 2.406 224 S HA 0.033 4.503 4.470 -0.000 0.000 0.224 224 S C 1.127 175.715 174.600 -0.020 0.000 1.030 224 S CA -0.168 58.019 58.200 -0.023 0.000 0.958 224 S CB -0.896 62.293 63.200 -0.019 0.000 0.811 224 S HN 0.478 nan 8.310 nan 0.000 0.489 225 N N 3.594 122.281 118.700 -0.020 0.000 2.411 225 N HA 0.098 4.838 4.740 -0.000 0.000 0.261 225 N C -1.959 173.540 175.510 -0.020 0.000 1.248 225 N CA -0.970 52.068 53.050 -0.019 0.000 0.885 225 N CB 1.338 39.813 38.487 -0.021 0.000 1.062 225 N HN 0.164 nan 8.380 nan 0.000 0.471 226 P HA 0.003 nan 4.420 nan 0.000 0.225 226 P C 1.462 178.753 177.300 -0.014 0.000 1.156 226 P CA 0.767 63.860 63.100 -0.011 0.000 0.787 226 P CB 0.311 32.009 31.700 -0.003 0.000 0.802 227 I N -0.916 119.646 120.570 -0.015 0.000 2.264 227 I HA -0.132 4.037 4.170 -0.000 0.000 0.248 227 I C 0.627 176.713 176.117 -0.052 0.000 1.111 227 I CA 0.757 62.045 61.300 -0.019 0.000 1.382 227 I CB -0.681 37.311 38.000 -0.014 0.000 1.060 227 I HN -0.252 nan 8.210 nan 0.000 0.418 228 V N 2.733 122.615 119.914 -0.053 0.000 2.425 228 V HA -0.024 4.096 4.120 -0.000 0.000 0.276 228 V C 1.297 177.350 176.094 -0.068 0.000 1.017 228 V CA 0.594 62.853 62.300 -0.068 0.000 1.062 228 V CB 0.303 32.095 31.823 -0.052 0.000 0.997 228 V HN 0.313 nan 8.190 nan 0.000 0.476 229 R N 2.953 123.397 120.500 -0.094 0.000 2.254 229 R HA 0.168 4.508 4.340 -0.000 0.000 0.193 229 R C 0.517 176.768 176.300 -0.082 0.000 0.929 229 R CA 0.245 56.296 56.100 -0.081 0.000 1.038 229 R CB 0.450 30.692 30.300 -0.096 0.000 1.009 229 R HN 0.790 nan 8.270 nan 0.000 0.512 230 K N 0.100 120.441 120.400 -0.098 0.000 2.508 230 K HA 0.444 4.764 4.320 -0.000 0.000 0.260 230 K C -1.695 174.854 176.600 -0.085 0.000 0.949 230 K CA -0.966 55.257 56.287 -0.106 0.000 0.834 230 K CB 2.018 34.419 32.500 -0.165 0.000 1.365 230 K HN -0.105 nan 8.250 nan 0.000 0.437 231 L N 0.693 121.871 121.223 -0.075 0.000 2.422 231 L HA 0.616 4.956 4.340 -0.000 0.000 0.264 231 L C -1.517 175.345 176.870 -0.013 0.000 0.984 231 L CA -0.071 54.752 54.840 -0.029 0.000 0.819 231 L CB 2.533 44.583 42.059 -0.014 0.000 1.330 231 L HN 0.796 nan 8.230 nan 0.000 0.410 232 S N 4.077 119.799 115.700 0.036 0.000 2.596 232 S HA 0.658 5.128 4.470 -0.000 0.000 0.318 232 S C -1.367 173.315 174.600 0.137 0.000 1.097 232 S CA -0.394 57.842 58.200 0.060 0.000 1.080 232 S CB 0.303 63.538 63.200 0.058 0.000 0.991 232 S HN 0.521 nan 8.310 nan 0.000 0.471 233 F N 4.047 123.989 119.950 -0.013 0.000 2.495 233 F HA 0.680 5.206 4.527 -0.000 0.000 0.327 233 F C -0.438 175.362 175.800 0.000 0.000 1.103 233 F CA -0.265 57.731 58.000 -0.006 0.000 0.949 233 F CB 2.046 41.043 39.000 -0.006 0.000 1.142 233 F HN 0.422 nan 8.300 nan 0.000 0.457 234 T N 4.790 118.781 114.554 -0.939 0.000 2.906 234 T HA 0.749 5.099 4.350 -0.000 0.000 0.302 234 T C -0.140 173.902 174.700 -1.097 0.000 1.002 234 T CA -0.379 61.236 62.100 -0.807 0.000 0.988 234 T CB 0.898 69.544 68.868 -0.369 0.000 0.972 234 T HN 1.088 nan 8.240 nan 0.000 0.447 235 G N 1.831 110.040 108.800 -0.986 0.000 2.392 235 G HA2 0.492 4.452 3.960 -0.000 0.000 0.260 235 G HA3 0.492 4.452 3.960 -0.000 0.000 0.260 235 G C -0.534 174.332 174.900 -0.058 0.000 1.226 235 G CA -0.280 44.523 45.100 -0.494 0.000 0.913 235 G HN 0.878 nan 8.290 nan 0.000 0.483 236 S N -0.484 115.310 115.700 0.156 0.000 2.573 236 S HA 0.369 4.839 4.470 -0.000 0.000 0.277 236 S C 1.425 176.195 174.600 0.282 0.000 1.346 236 S CA 1.210 59.515 58.200 0.175 0.000 1.034 236 S CB 1.139 64.421 63.200 0.136 0.000 0.879 236 S HN 0.843 nan 8.310 nan 0.000 0.528 237 T N 2.797 117.491 114.554 0.233 0.000 2.708 237 T HA -0.084 4.266 4.350 -0.000 0.000 0.266 237 T C 2.237 177.049 174.700 0.186 0.000 1.037 237 T CA 1.585 63.839 62.100 0.256 0.000 1.146 237 T CB -0.978 68.120 68.868 0.382 0.000 0.865 237 T HN 0.870 nan 8.240 nan 0.000 0.435 238 A N 0.953 123.870 122.820 0.162 0.000 1.917 238 A HA -0.103 4.217 4.320 -0.000 0.000 0.219 238 A C 2.579 180.189 177.584 0.044 0.000 1.182 238 A CA 1.682 53.778 52.037 0.098 0.000 0.633 238 A CB -1.048 18.008 19.000 0.092 0.000 0.819 238 A HN 0.378 nan 8.150 nan 0.000 0.448 239 V N -0.390 119.553 119.914 0.047 0.000 2.591 239 V HA -0.077 4.042 4.120 -0.000 0.000 0.249 239 V C 2.765 178.690 176.094 -0.282 0.000 1.053 239 V CA 1.521 63.768 62.300 -0.087 0.000 1.068 239 V CB -1.219 30.582 31.823 -0.036 0.000 0.689 239 V HN 0.625 nan 8.190 nan 0.000 0.462 240 G N 0.229 108.962 108.800 -0.111 0.000 2.440 240 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.218 240 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.218 240 G C 1.751 176.599 174.900 -0.086 0.000 1.154 240 G CA 0.810 45.849 45.100 -0.102 0.000 0.767 240 G HN 0.431 nan 8.290 nan 0.000 0.552 241 R N -0.431 120.052 120.500 -0.029 0.000 2.081 241 R HA 0.101 4.441 4.340 -0.000 0.000 0.235 241 R C 2.618 178.881 176.300 -0.061 0.000 1.131 241 R CA 0.802 56.886 56.100 -0.027 0.000 0.960 241 R CB -0.441 29.858 30.300 -0.002 0.000 0.856 241 R HN 0.316 nan 8.270 nan 0.000 0.436 242 L N 0.464 121.635 121.223 -0.087 0.000 1.976 242 L HA -0.208 4.132 4.340 -0.000 0.000 0.209 242 L C 2.301 179.095 176.870 -0.127 0.000 1.071 242 L CA 1.390 56.171 54.840 -0.098 0.000 0.746 242 L CB -0.364 41.633 42.059 -0.104 0.000 0.890 242 L HN 0.184 nan 8.230 nan 0.000 0.432 243 L N -1.123 119.975 121.223 -0.208 0.000 2.079 243 L HA -0.300 4.040 4.340 -0.000 0.000 0.210 243 L C 2.605 179.398 176.870 -0.129 0.000 1.081 243 L CA 1.450 56.163 54.840 -0.212 0.000 0.752 243 L CB -0.399 41.437 42.059 -0.371 0.000 0.896 243 L HN 0.400 nan 8.230 nan 0.000 0.433 244 M N -0.488 119.050 119.600 -0.104 0.000 2.117 244 M HA -0.194 4.286 4.480 -0.000 0.000 0.262 244 M C 2.369 178.638 176.300 -0.052 0.000 1.065 244 M CA 1.936 57.199 55.300 -0.061 0.000 1.114 244 M CB -0.080 32.496 32.600 -0.041 0.000 1.361 244 M HN 0.241 nan 8.290 nan 0.000 0.408 245 A N 0.130 122.917 122.820 -0.054 0.000 1.858 245 A HA -0.248 4.072 4.320 -0.000 0.000 0.216 245 A C 1.937 179.494 177.584 -0.044 0.000 1.190 245 A CA 1.994 54.004 52.037 -0.044 0.000 0.617 245 A CB -0.981 17.994 19.000 -0.042 0.000 0.827 245 A HN 0.701 nan 8.150 nan 0.000 0.443 246 Q N -0.215 119.552 119.800 -0.055 0.000 2.234 246 Q HA -0.111 4.229 4.340 -0.000 0.000 0.206 246 Q C 2.007 177.980 176.000 -0.046 0.000 0.980 246 Q CA 1.638 57.410 55.803 -0.051 0.000 0.869 246 Q CB -0.136 28.563 28.738 -0.064 0.000 0.912 246 Q HN 0.639 nan 8.270 nan 0.000 0.436 247 S N -0.088 115.583 115.700 -0.049 0.000 2.558 247 S HA 0.114 4.583 4.470 -0.000 0.000 0.217 247 S C 1.711 176.291 174.600 -0.034 0.000 0.975 247 S CA 0.362 58.537 58.200 -0.042 0.000 0.912 247 S CB 0.242 63.414 63.200 -0.046 0.000 0.776 247 S HN 0.423 nan 8.310 nan 0.000 0.526 248 A N 2.900 125.701 122.820 -0.032 0.000 1.902 248 A HA 0.017 4.337 4.320 -0.000 0.000 0.217 248 A C -0.174 177.397 177.584 -0.021 0.000 1.181 248 A CA 1.162 53.183 52.037 -0.025 0.000 0.623 248 A CB -1.793 17.193 19.000 -0.024 0.000 0.818 248 A HN 0.352 nan 8.150 nan 0.000 0.443 249 P HA -0.098 nan 4.420 nan 0.000 0.221 249 P C 1.057 178.349 177.300 -0.014 0.000 1.145 249 P CA 1.912 65.002 63.100 -0.016 0.000 0.795 249 P CB -0.109 31.581 31.700 -0.016 0.000 0.775 250 T N -6.372 108.172 114.554 -0.017 0.000 3.084 250 T HA 0.212 4.562 4.350 -0.000 0.000 0.270 250 T C 0.460 175.150 174.700 -0.016 0.000 1.008 250 T CA -0.296 61.795 62.100 -0.015 0.000 0.900 250 T CB -0.629 68.229 68.868 -0.017 0.000 1.084 250 T HN -0.172 nan 8.240 nan 0.000 0.538 251 V N 0.994 120.897 119.914 -0.018 0.000 5.767 251 V HA -0.217 3.903 4.120 -0.000 0.000 0.311 251 V C 0.342 176.422 176.094 -0.022 0.000 0.532 251 V CA 0.743 63.032 62.300 -0.017 0.000 0.659 251 V CB -2.235 29.582 31.823 -0.010 0.000 0.353 251 V HN 0.679 nan 8.190 nan 0.000 1.082 252 K N 0.375 120.757 120.400 -0.029 0.000 2.295 252 K HA 0.368 4.688 4.320 -0.000 0.000 0.270 252 K C 0.368 176.941 176.600 -0.044 0.000 1.011 252 K CA -0.699 55.565 56.287 -0.039 0.000 0.953 252 K CB 0.743 33.217 32.500 -0.043 0.000 0.956 252 K HN 0.250 nan 8.250 nan 0.000 0.477 253 K N 2.469 122.834 120.400 -0.057 0.000 2.350 253 K HA 0.149 4.469 4.320 -0.000 0.000 0.279 253 K C -1.140 175.408 176.600 -0.085 0.000 1.027 253 K CA -0.090 56.154 56.287 -0.072 0.000 0.969 253 K CB 0.316 32.761 32.500 -0.092 0.000 0.954 253 K HN 0.242 nan 8.250 nan 0.000 0.474 254 L N 3.415 124.594 121.223 -0.073 0.000 2.406 254 L HA 0.387 4.727 4.340 -0.000 0.000 0.272 254 L C -0.719 176.119 176.870 -0.053 0.000 0.980 254 L CA -0.081 54.727 54.840 -0.053 0.000 0.831 254 L CB 2.063 44.108 42.059 -0.024 0.000 1.253 254 L HN 0.659 nan 8.230 nan 0.000 0.406 255 T N 5.088 119.610 114.554 -0.053 0.000 2.758 255 T HA 0.659 5.009 4.350 -0.000 0.000 0.285 255 T C -0.317 174.410 174.700 0.045 0.000 0.981 255 T CA -0.211 61.876 62.100 -0.022 0.000 0.965 255 T CB 0.353 69.189 68.868 -0.053 0.000 0.927 255 T HN 0.261 nan 8.240 nan 0.000 0.448 256 L N 3.987 125.249 121.223 0.065 0.000 2.342 256 L HA 0.440 4.780 4.340 -0.000 0.000 0.276 256 L C 0.095 177.018 176.870 0.089 0.000 0.997 256 L CA -0.767 54.147 54.840 0.123 0.000 0.838 256 L CB 1.403 43.547 42.059 0.143 0.000 1.224 256 L HN 0.458 nan 8.230 nan 0.000 0.416 257 E N 5.967 126.198 120.200 0.051 0.000 2.028 257 E HA 0.428 4.778 4.350 -0.000 0.000 0.266 257 E C -0.451 176.156 176.600 0.012 0.000 0.962 257 E CA -0.180 56.248 56.400 0.048 0.000 0.784 257 E CB 1.674 31.411 29.700 0.061 0.000 1.114 257 E HN 0.509 nan 8.360 nan 0.000 0.414 258 L N -0.015 121.252 121.223 0.072 0.000 2.585 258 L HA 0.590 4.930 4.340 -0.000 0.000 0.260 258 L C 1.164 178.085 176.870 0.085 0.000 1.085 258 L CA -1.338 53.563 54.840 0.103 0.000 0.913 258 L CB 0.349 42.517 42.059 0.182 0.000 1.638 258 L HN 0.361 nan 8.230 nan 0.000 0.531 259 G N -1.259 107.592 108.800 0.084 0.000 2.569 259 G HA2 0.469 4.429 3.960 -0.000 0.000 0.249 259 G HA3 0.469 4.429 3.960 -0.000 0.000 0.249 259 G C -0.217 174.598 174.900 -0.141 0.000 1.216 259 G CA 0.300 45.369 45.100 -0.050 0.000 0.845 259 G HN 0.762 nan 8.290 nan 0.000 0.568 260 G N -0.777 107.884 108.800 -0.230 0.000 3.251 260 G HA2 0.476 4.436 3.960 -0.000 0.000 0.248 260 G HA3 0.476 4.436 3.960 -0.000 0.000 0.248 260 G C -0.641 174.113 174.900 -0.242 0.000 1.320 260 G CA -0.507 44.522 45.100 -0.118 0.000 0.982 260 G HN 0.722 nan 8.290 nan 0.000 0.575 261 N N -0.746 117.969 118.700 0.025 0.000 2.725 261 N HA 0.319 5.059 4.740 -0.000 0.000 0.225 261 N C -0.221 175.355 175.510 0.109 0.000 1.465 261 N CA -0.141 52.936 53.050 0.045 0.000 0.830 261 N CB 0.575 39.174 38.487 0.187 0.000 1.460 261 N HN 0.719 nan 8.380 nan 0.000 0.538 262 A N 2.266 125.103 122.820 0.028 0.000 2.515 262 A HA 0.352 4.672 4.320 -0.000 0.000 0.263 262 A C -2.184 175.391 177.584 -0.016 0.000 1.096 262 A CA -0.448 51.589 52.037 -0.001 0.000 0.769 262 A CB -0.247 18.785 19.000 0.053 0.000 1.040 262 A HN 0.344 nan 8.150 nan 0.000 0.505 263 P HA 0.309 nan 4.420 nan 0.000 0.285 263 P C -1.005 176.362 177.300 0.112 0.000 1.259 263 P CA -0.126 63.002 63.100 0.047 0.000 0.794 263 P CB 0.683 32.356 31.700 -0.046 0.000 0.940 264 F N 4.456 124.417 119.950 0.019 0.000 2.347 264 F HA 0.466 4.992 4.527 -0.000 0.000 0.366 264 F C -0.323 175.596 175.800 0.198 0.000 1.107 264 F CA -0.892 57.170 58.000 0.104 0.000 1.058 264 F CB 0.450 39.361 39.000 -0.149 0.000 1.236 264 F HN 0.123 nan 8.300 nan 0.000 0.456 265 I N 6.896 127.490 120.570 0.040 0.000 2.304 265 I HA 0.302 4.472 4.170 -0.000 0.000 0.291 265 I C -0.865 175.312 176.117 0.100 0.000 1.018 265 I CA -0.771 60.562 61.300 0.054 0.000 1.260 265 I CB 1.338 39.272 38.000 -0.110 0.000 1.390 265 I HN 0.193 nan 8.210 nan 0.000 0.475 266 V N 7.345 127.351 119.914 0.153 0.000 2.326 266 V HA 0.342 4.462 4.120 -0.000 0.000 0.281 266 V C -0.084 176.113 176.094 0.173 0.000 1.015 266 V CA -0.514 61.849 62.300 0.105 0.000 0.823 266 V CB 0.783 32.464 31.823 -0.238 0.000 1.009 266 V HN 0.385 nan 8.190 nan 0.000 0.436 267 F N 2.073 122.187 119.950 0.273 0.000 2.375 267 F HA 0.253 4.780 4.527 -0.000 0.000 0.313 267 F C 1.779 177.643 175.800 0.108 0.000 1.176 267 F CA 0.026 58.204 58.000 0.297 0.000 1.142 267 F CB 0.598 39.746 39.000 0.248 0.000 1.275 267 F HN 0.547 nan 8.300 nan 0.000 0.544 268 D N 0.850 121.400 120.400 0.251 0.000 2.242 268 D HA -0.264 4.376 4.640 -0.000 0.000 0.190 268 D C 1.270 177.593 176.300 0.039 0.000 1.012 268 D CA 2.166 56.119 54.000 -0.079 0.000 0.875 268 D CB -0.182 40.485 40.800 -0.223 0.000 0.922 268 D HN 0.634 nan 8.370 nan 0.000 0.448 269 D N -1.033 119.436 120.400 0.116 0.000 2.402 269 D HA 0.221 4.861 4.640 -0.000 0.000 0.216 269 D C 0.183 176.555 176.300 0.121 0.000 1.128 269 D CA -0.236 53.814 54.000 0.084 0.000 0.833 269 D CB -0.401 40.428 40.800 0.049 0.000 0.971 269 D HN 0.172 nan 8.370 nan 0.000 0.503 270 A N 0.532 123.455 122.820 0.171 0.000 2.386 270 A HA 0.181 4.501 4.320 -0.000 0.000 0.248 270 A C 0.246 177.929 177.584 0.165 0.000 1.082 270 A CA -0.338 51.823 52.037 0.206 0.000 0.789 270 A CB 0.298 19.449 19.000 0.252 0.000 1.025 270 A HN 0.104 nan 8.150 nan 0.000 0.490 271 D N 2.023 122.539 120.400 0.193 0.000 2.383 271 D HA 0.137 4.777 4.640 -0.000 0.000 0.245 271 D C 0.879 177.269 176.300 0.149 0.000 1.263 271 D CA -0.318 53.776 54.000 0.158 0.000 0.936 271 D CB 0.198 41.098 40.800 0.167 0.000 1.053 271 D HN 0.262 nan 8.370 nan 0.000 0.507 272 L N 3.656 124.956 121.223 0.129 0.000 2.127 272 L HA -0.174 4.166 4.340 -0.000 0.000 0.211 272 L C 1.641 178.589 176.870 0.130 0.000 1.089 272 L CA 1.565 56.497 54.840 0.155 0.000 0.757 272 L CB -0.734 41.416 42.059 0.152 0.000 0.899 272 L HN 0.367 nan 8.230 nan 0.000 0.434 273 D N -0.713 119.740 120.400 0.088 0.000 2.117 273 D HA -0.124 4.516 4.640 -0.000 0.000 0.198 273 D C 2.245 178.588 176.300 0.072 0.000 0.982 273 D CA 1.319 55.353 54.000 0.058 0.000 0.828 273 D CB -0.165 40.664 40.800 0.048 0.000 0.967 273 D HN 0.316 nan 8.370 nan 0.000 0.464 274 A N 0.900 123.788 122.820 0.113 0.000 1.902 274 A HA 0.005 4.325 4.320 -0.000 0.000 0.217 274 A C 2.266 179.900 177.584 0.083 0.000 1.181 274 A CA 1.899 54.039 52.037 0.171 0.000 0.623 274 A CB -0.920 18.247 19.000 0.277 0.000 0.818 274 A HN 0.234 nan 8.150 nan 0.000 0.443 275 A N -0.580 122.165 122.820 -0.125 0.000 1.933 275 A HA 0.009 4.329 4.320 -0.000 0.000 0.218 275 A C 2.222 179.824 177.584 0.030 0.000 1.175 275 A CA 1.762 53.503 52.037 -0.494 0.000 0.628 275 A CB -0.851 17.948 19.000 -0.334 0.000 0.814 275 A HN 0.369 nan 8.150 nan 0.000 0.444 276 V N 0.039 120.022 119.914 0.115 0.000 2.307 276 V HA -0.213 3.906 4.120 -0.000 0.000 0.245 276 V C 3.114 179.194 176.094 -0.024 0.000 1.045 276 V CA 2.611 64.897 62.300 -0.023 0.000 1.024 276 V CB -1.372 30.360 31.823 -0.152 0.000 0.651 276 V HN 0.786 nan 8.190 nan 0.000 0.449 277 E N 0.516 120.731 120.200 0.026 0.000 2.070 277 E HA -0.259 4.091 4.350 -0.000 0.000 0.197 277 E C 2.312 178.973 176.600 0.102 0.000 1.004 277 E CA 1.907 58.343 56.400 0.059 0.000 0.805 277 E CB -1.470 28.284 29.700 0.089 0.000 0.744 277 E HN 0.673 nan 8.360 nan 0.000 0.451 278 G N 0.103 109.010 108.800 0.179 0.000 2.408 278 G HA2 0.081 4.041 3.960 -0.000 0.000 0.217 278 G HA3 0.081 4.041 3.960 -0.000 0.000 0.217 278 G C 2.035 177.014 174.900 0.132 0.000 1.150 278 G CA 1.829 47.116 45.100 0.312 0.000 0.776 278 G HN 0.918 nan 8.290 nan 0.000 0.542 279 A N 1.283 124.038 122.820 -0.109 0.000 1.883 279 A HA -0.049 4.271 4.320 -0.000 0.000 0.217 279 A C 2.327 179.884 177.584 -0.044 0.000 1.186 279 A CA 1.544 53.371 52.037 -0.349 0.000 0.624 279 A CB -0.341 18.443 19.000 -0.360 0.000 0.822 279 A HN 0.272 nan 8.150 nan 0.000 0.444 280 I N -0.171 120.416 120.570 0.028 0.000 2.226 280 I HA -0.236 3.934 4.170 -0.000 0.000 0.245 280 I C 2.847 179.050 176.117 0.143 0.000 1.100 280 I CA 1.556 62.949 61.300 0.155 0.000 1.374 280 I CB -1.638 36.398 38.000 0.059 0.000 1.057 280 I HN 0.379 nan 8.210 nan 0.000 0.413 281 A N 0.782 123.651 122.820 0.081 0.000 1.898 281 A HA -0.119 4.201 4.320 -0.000 0.000 0.214 281 A C 2.467 180.071 177.584 0.033 0.000 1.183 281 A CA 1.643 53.725 52.037 0.076 0.000 0.622 281 A CB -0.697 18.357 19.000 0.089 0.000 0.824 281 A HN 0.519 nan 8.150 nan 0.000 0.444 282 S N -0.665 115.010 115.700 -0.042 0.000 2.453 282 S HA -0.066 4.404 4.470 -0.000 0.000 0.231 282 S C 1.674 176.170 174.600 -0.174 0.000 1.005 282 S CA 1.538 59.631 58.200 -0.178 0.000 0.949 282 S CB -0.001 62.921 63.200 -0.464 0.000 0.774 282 S HN 0.484 nan 8.310 nan 0.000 0.510 283 K N -0.005 120.302 120.400 -0.155 0.000 2.306 283 K HA 0.312 4.632 4.320 -0.000 0.000 0.200 283 K C 0.918 177.310 176.600 -0.347 0.000 1.083 283 K CA 0.479 56.587 56.287 -0.297 0.000 0.959 283 K CB -0.203 32.102 32.500 -0.325 0.000 0.994 283 K HN 0.380 nan 8.250 nan 0.000 0.492 284 Y N 0.380 120.693 120.300 0.022 0.000 2.449 284 Y HA 0.367 4.917 4.550 -0.000 0.000 0.254 284 Y C 0.231 176.154 175.900 0.037 0.000 1.140 284 Y CA -0.554 57.565 58.100 0.031 0.000 1.272 284 Y CB 0.337 38.809 38.460 0.020 0.000 1.114 284 Y HN -0.139 nan 8.280 nan 0.000 0.525 285 R N 2.234 122.822 120.500 0.146 0.000 2.585 285 R HA -0.077 4.263 4.340 -0.000 0.000 0.275 285 R C 0.642 177.007 176.300 0.108 0.000 1.018 285 R CA 0.324 56.495 56.100 0.117 0.000 1.072 285 R CB -0.383 29.984 30.300 0.111 0.000 0.953 285 R HN 0.282 nan 8.270 nan 0.000 0.419 286 N N 2.907 121.654 118.700 0.078 0.000 2.710 286 N HA -0.317 4.423 4.740 -0.000 0.000 0.249 286 N C -0.778 174.788 175.510 0.092 0.000 1.059 286 N CA 1.369 54.443 53.050 0.041 0.000 0.720 286 N CB -1.184 37.291 38.487 -0.020 0.000 0.983 286 N HN 0.796 nan 8.380 nan 0.000 0.544 287 N N -1.140 117.631 118.700 0.117 0.000 2.708 287 N HA -0.192 4.548 4.740 -0.000 0.000 0.249 287 N C 0.796 176.381 175.510 0.124 0.000 1.097 287 N CA 2.416 55.555 53.050 0.148 0.000 0.710 287 N CB -1.403 37.158 38.487 0.123 0.000 1.032 287 N HN 1.253 nan 8.380 nan 0.000 0.551 288 G N -1.466 107.378 108.800 0.074 0.000 2.148 288 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.254 288 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.254 288 G C 0.331 175.263 174.900 0.053 0.000 0.981 288 G CA 0.580 45.673 45.100 -0.012 0.000 0.670 288 G HN 0.600 nan 8.290 nan 0.000 0.528 289 Q N 0.578 120.482 119.800 0.173 0.000 2.201 289 Q HA 0.218 4.558 4.340 -0.000 0.000 0.217 289 Q C 1.172 177.365 176.000 0.321 0.000 0.860 289 Q CA 0.604 56.621 55.803 0.357 0.000 0.984 289 Q CB 0.509 29.512 28.738 0.441 0.000 1.095 289 Q HN 0.702 nan 8.270 nan 0.000 0.477 290 T N -3.855 110.830 114.554 0.218 0.000 2.922 290 T HA 0.128 4.478 4.350 -0.000 0.000 0.285 290 T C 1.234 176.018 174.700 0.141 0.000 1.005 290 T CA -0.817 61.445 62.100 0.271 0.000 1.061 290 T CB 1.460 70.504 68.868 0.293 0.000 1.007 290 T HN 0.216 nan 8.240 nan 0.000 0.502 291 C N 1.583 120.990 119.300 0.177 0.000 2.432 291 C HA 0.038 4.498 4.460 -0.000 0.000 0.282 291 C C 2.546 177.562 174.990 0.044 0.000 1.388 291 C CA 0.350 59.447 59.018 0.131 0.000 1.777 291 C CB -1.615 26.227 27.740 0.169 0.000 1.882 291 C HN 0.878 nan 8.230 nan 0.000 0.520 292 V N -2.748 117.224 119.914 0.097 0.000 3.647 292 V HA 0.235 4.355 4.120 -0.000 0.000 0.279 292 V C 0.908 177.073 176.094 0.119 0.000 1.314 292 V CA -0.575 61.785 62.300 0.100 0.000 1.125 292 V CB -1.882 30.044 31.823 0.171 0.000 0.907 292 V HN 0.511 nan 8.190 nan 0.000 0.434 293 C N 2.136 121.438 119.300 0.003 0.000 2.665 293 C HA 0.200 4.659 4.460 -0.000 0.000 0.416 293 C C 1.496 176.435 174.990 -0.085 0.000 1.305 293 C CA 0.691 59.671 59.018 -0.064 0.000 1.903 293 C CB -0.281 27.359 27.740 -0.168 0.000 2.704 293 C HN 0.651 nan 8.230 nan 0.000 0.629 294 T N 3.861 118.319 114.554 -0.160 0.000 2.902 294 T HA -0.021 4.329 4.350 -0.000 0.000 0.301 294 T C 0.986 175.496 174.700 -0.316 0.000 1.012 294 T CA 0.702 62.636 62.100 -0.277 0.000 1.151 294 T CB 0.160 68.600 68.868 -0.713 0.000 0.946 294 T HN 0.811 nan 8.240 nan 0.000 0.542 295 N N 2.398 120.956 118.700 -0.236 0.000 2.397 295 N HA 0.108 4.848 4.740 -0.000 0.000 0.190 295 N C -0.172 175.259 175.510 -0.131 0.000 1.099 295 N CA 0.180 53.126 53.050 -0.173 0.000 0.876 295 N CB 0.608 39.022 38.487 -0.121 0.000 1.143 295 N HN 0.444 nan 8.380 nan 0.000 0.468 296 R N 0.023 120.397 120.500 -0.209 0.000 2.502 296 R HA 0.269 4.609 4.340 -0.000 0.000 0.298 296 R C -1.469 174.646 176.300 -0.308 0.000 1.018 296 R CA -0.608 55.333 56.100 -0.266 0.000 0.899 296 R CB 0.998 30.958 30.300 -0.567 0.000 1.181 296 R HN -0.033 nan 8.270 nan 0.000 0.444 297 F N 3.026 122.978 119.950 0.003 0.000 2.445 297 F HA 0.307 4.834 4.527 -0.000 0.000 0.359 297 F C 0.040 175.808 175.800 -0.054 0.000 1.101 297 F CA -0.073 57.975 58.000 0.079 0.000 1.177 297 F CB 0.498 39.573 39.000 0.125 0.000 1.110 297 F HN 0.330 nan 8.300 nan 0.000 0.522 298 F N 3.356 123.513 119.950 0.344 0.000 2.375 298 F HA 0.546 5.073 4.527 -0.000 0.000 0.361 298 F C -0.434 175.610 175.800 0.405 0.000 1.117 298 F CA -0.930 57.258 58.000 0.313 0.000 1.037 298 F CB 1.227 40.229 39.000 0.004 0.000 1.192 298 F HN -0.004 nan 8.300 nan 0.000 0.452 299 V N 3.188 123.444 119.914 0.571 0.000 2.540 299 V HA 0.232 4.352 4.120 -0.000 0.000 0.302 299 V C -0.002 176.109 176.094 0.028 0.000 1.035 299 V CA -0.998 61.474 62.300 0.286 0.000 0.873 299 V CB 1.414 33.292 31.823 0.091 0.000 0.992 299 V HN 0.586 nan 8.190 nan 0.000 0.428 300 H N 2.861 121.644 119.070 -0.478 0.000 2.964 300 H HA 0.041 4.596 4.556 -0.000 0.000 0.328 300 H C 1.247 176.374 175.328 -0.335 0.000 1.030 300 H CA 0.981 56.447 56.048 -0.971 0.000 1.445 300 H CB 0.871 30.238 29.762 -0.658 0.000 1.449 300 H HN 0.917 nan 8.280 nan 0.000 0.581 301 E N 3.888 123.895 120.200 -0.322 0.000 2.172 301 E HA -0.308 4.042 4.350 -0.000 0.000 0.213 301 E C 1.740 178.438 176.600 0.164 0.000 1.051 301 E CA 2.024 58.401 56.400 -0.038 0.000 0.860 301 E CB 0.157 29.792 29.700 -0.108 0.000 0.755 301 E HN 0.653 nan 8.360 nan 0.000 0.462 302 R N -0.662 120.035 120.500 0.329 0.000 2.280 302 R HA -0.064 4.276 4.340 -0.000 0.000 0.207 302 R C 1.783 178.141 176.300 0.096 0.000 1.043 302 R CA 1.199 57.383 56.100 0.139 0.000 1.006 302 R CB 0.350 30.654 30.300 0.007 0.000 0.885 302 R HN 0.266 nan 8.270 nan 0.000 0.467 303 V N -4.957 115.033 119.914 0.127 0.000 3.337 303 V HA 0.108 4.227 4.120 -0.000 0.000 0.307 303 V C 1.379 177.575 176.094 0.169 0.000 1.505 303 V CA -0.536 61.835 62.300 0.118 0.000 1.072 303 V CB -0.653 31.220 31.823 0.083 0.000 0.929 303 V HN 0.015 nan 8.190 nan 0.000 0.455 304 Y N 2.645 122.987 120.300 0.070 0.000 2.030 304 Y HA -0.304 4.246 4.550 -0.000 0.000 0.272 304 Y C 2.206 178.171 175.900 0.108 0.000 1.185 304 Y CA 2.862 61.017 58.100 0.091 0.000 1.120 304 Y CB -0.195 38.295 38.460 0.049 0.000 0.955 304 Y HN 0.351 nan 8.280 nan 0.000 0.495 305 D N -0.346 120.193 120.400 0.230 0.000 2.092 305 D HA -0.219 4.421 4.640 -0.000 0.000 0.193 305 D C 2.301 178.623 176.300 0.036 0.000 0.994 305 D CA 1.693 55.765 54.000 0.120 0.000 0.828 305 D CB -0.862 40.007 40.800 0.116 0.000 0.963 305 D HN 0.474 nan 8.370 nan 0.000 0.450 306 A N 0.084 122.940 122.820 0.060 0.000 1.908 306 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 306 A C 2.146 179.743 177.584 0.023 0.000 1.181 306 A CA 1.288 53.349 52.037 0.039 0.000 0.627 306 A CB -0.999 18.039 19.000 0.063 0.000 0.818 306 A HN 0.286 nan 8.150 nan 0.000 0.445 307 F N 0.707 120.595 119.950 -0.104 0.000 2.163 307 F HA 0.050 4.577 4.527 -0.000 0.000 0.297 307 F C 2.512 178.178 175.800 -0.224 0.000 1.094 307 F CA 1.008 58.914 58.000 -0.156 0.000 1.290 307 F CB -0.464 38.440 39.000 -0.160 0.000 1.017 307 F HN 0.243 nan 8.300 nan 0.000 0.483 308 A N 0.162 122.806 122.820 -0.293 0.000 1.877 308 A HA -0.194 4.126 4.320 -0.000 0.000 0.216 308 A C 2.021 179.412 177.584 -0.323 0.000 1.186 308 A CA 1.987 53.796 52.037 -0.380 0.000 0.620 308 A CB -1.070 17.751 19.000 -0.297 0.000 0.822 308 A HN 0.430 nan 8.150 nan 0.000 0.443 309 D N -0.065 120.208 120.400 -0.212 0.000 2.106 309 D HA -0.159 4.480 4.640 -0.000 0.000 0.191 309 D C 1.908 178.078 176.300 -0.216 0.000 0.997 309 D CA 1.636 55.537 54.000 -0.166 0.000 0.834 309 D CB -0.337 40.403 40.800 -0.099 0.000 0.956 309 D HN 0.502 nan 8.370 nan 0.000 0.448 310 K N -0.108 120.135 120.400 -0.262 0.000 2.097 310 K HA -0.116 4.204 4.320 -0.000 0.000 0.206 310 K C 2.052 178.425 176.600 -0.379 0.000 1.049 310 K CA 0.376 56.496 56.287 -0.278 0.000 0.933 310 K CB -0.123 32.230 32.500 -0.245 0.000 0.717 310 K HN 0.038 nan 8.250 nan 0.000 0.442 311 L N 0.694 121.567 121.223 -0.583 0.000 2.109 311 L HA -0.013 4.326 4.340 -0.000 0.000 0.207 311 L C 2.128 178.786 176.870 -0.354 0.000 1.086 311 L CA 1.437 55.931 54.840 -0.577 0.000 0.760 311 L CB -0.479 41.056 42.059 -0.873 0.000 0.910 311 L HN 0.079 nan 8.230 nan 0.000 0.437 312 A N -0.494 122.149 122.820 -0.295 0.000 1.930 312 A HA -0.063 4.257 4.320 -0.000 0.000 0.217 312 A C 2.419 179.899 177.584 -0.173 0.000 1.175 312 A CA 1.541 53.458 52.037 -0.200 0.000 0.627 312 A CB -1.013 17.892 19.000 -0.158 0.000 0.815 312 A HN 0.525 nan 8.150 nan 0.000 0.443 313 A N -0.354 122.362 122.820 -0.175 0.000 1.969 313 A HA 0.233 4.553 4.320 -0.000 0.000 0.218 313 A C 2.401 179.899 177.584 -0.144 0.000 1.169 313 A CA 1.854 53.808 52.037 -0.139 0.000 0.635 313 A CB -0.716 18.209 19.000 -0.125 0.000 0.810 313 A HN 0.945 nan 8.150 nan 0.000 0.445 314 A N -0.807 121.906 122.820 -0.179 0.000 1.935 314 A HA 0.148 4.468 4.320 -0.000 0.000 0.214 314 A C 2.073 179.542 177.584 -0.192 0.000 1.178 314 A CA 1.334 53.270 52.037 -0.168 0.000 0.640 314 A CB -0.624 18.268 19.000 -0.179 0.000 0.825 314 A HN 0.330 nan 8.150 nan 0.000 0.447 315 V N 1.264 121.033 119.914 -0.242 0.000 2.759 315 V HA -0.191 3.928 4.120 -0.000 0.000 0.256 315 V C 2.886 178.846 176.094 -0.224 0.000 1.080 315 V CA 2.078 64.186 62.300 -0.321 0.000 1.101 315 V CB -0.654 30.954 31.823 -0.358 0.000 0.698 315 V HN 0.809 nan 8.190 nan 0.000 0.477 316 S N 0.954 116.558 115.700 -0.161 0.000 2.402 316 S HA -0.145 4.325 4.470 -0.000 0.000 0.229 316 S C 2.048 176.588 174.600 -0.100 0.000 1.021 316 S CA 1.385 59.516 58.200 -0.115 0.000 0.974 316 S CB -0.402 62.742 63.200 -0.094 0.000 0.800 316 S HN 0.600 nan 8.310 nan 0.000 0.484 317 K N 0.947 121.283 120.400 -0.106 0.000 2.486 317 K HA 0.457 4.777 4.320 -0.000 0.000 0.194 317 K C 0.834 177.384 176.600 -0.084 0.000 1.033 317 K CA 0.543 56.780 56.287 -0.083 0.000 1.004 317 K CB -0.901 31.555 32.500 -0.074 0.000 0.798 317 K HN 0.608 nan 8.250 nan 0.000 0.495 318 L N 0.652 121.807 121.223 -0.115 0.000 2.417 318 L HA 0.309 4.649 4.340 -0.000 0.000 0.268 318 L C 0.309 177.130 176.870 -0.082 0.000 1.158 318 L CA -0.499 54.276 54.840 -0.108 0.000 0.819 318 L CB 1.452 43.406 42.059 -0.174 0.000 1.112 318 L HN 0.223 nan 8.230 nan 0.000 0.458 319 K N 1.730 122.094 120.400 -0.059 0.000 2.502 319 K HA 0.435 4.754 4.320 -0.000 0.000 0.254 319 K C -1.315 175.252 176.600 -0.056 0.000 0.947 319 K CA -0.638 55.618 56.287 -0.052 0.000 0.834 319 K CB 1.553 34.031 32.500 -0.038 0.000 1.112 319 K HN 0.316 nan 8.250 nan 0.000 0.427 320 V N 3.211 123.062 119.914 -0.104 0.000 2.508 320 V HA 0.606 4.726 4.120 -0.000 0.000 0.281 320 V C 0.720 176.693 176.094 -0.202 0.000 1.041 320 V CA 0.026 62.222 62.300 -0.174 0.000 1.016 320 V CB 0.691 32.232 31.823 -0.470 0.000 0.984 320 V HN 0.957 nan 8.190 nan 0.000 0.478 321 G N 2.746 111.496 108.800 -0.083 0.000 2.523 321 G HA2 0.648 4.607 3.960 -0.000 0.000 0.291 321 G HA3 0.648 4.607 3.960 -0.000 0.000 0.291 321 G C -0.642 174.333 174.900 0.125 0.000 1.450 321 G CA -0.449 44.590 45.100 -0.102 0.000 0.790 321 G HN 0.890 nan 8.290 nan 0.000 0.496 322 R N -0.620 119.938 120.500 0.097 0.000 2.679 322 R HA 0.575 4.915 4.340 -0.000 0.000 0.268 322 R C 1.821 178.206 176.300 0.141 0.000 1.044 322 R CA 1.047 57.293 56.100 0.244 0.000 1.105 322 R CB -0.302 30.093 30.300 0.160 0.000 0.989 322 R HN 2.150 nan 8.270 nan 0.000 0.447 323 G N 0.060 108.935 108.800 0.126 0.000 2.505 323 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.220 323 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.220 323 G C 1.654 176.583 174.900 0.049 0.000 1.145 323 G CA 1.913 47.056 45.100 0.072 0.000 0.761 323 G HN 0.975 nan 8.290 nan 0.000 0.571 324 T N -1.148 113.432 114.554 0.044 0.000 2.985 324 T HA 0.094 4.444 4.350 -0.000 0.000 0.266 324 T C 1.079 175.792 174.700 0.022 0.000 1.076 324 T CA 0.644 62.760 62.100 0.028 0.000 1.135 324 T CB -0.027 68.854 68.868 0.022 0.000 0.890 324 T HN 0.439 nan 8.240 nan 0.000 0.480 325 E N 2.357 122.572 120.200 0.025 0.000 2.366 325 E HA 0.129 4.479 4.350 -0.000 0.000 0.266 325 E C -0.313 176.293 176.600 0.010 0.000 1.015 325 E CA -0.204 56.203 56.400 0.013 0.000 0.906 325 E CB 0.431 30.134 29.700 0.006 0.000 0.979 325 E HN 0.266 nan 8.360 nan 0.000 0.443 326 S N 3.013 118.715 115.700 0.005 0.000 2.563 326 S HA 0.163 4.633 4.470 -0.000 0.000 0.294 326 S C 1.089 175.690 174.600 0.000 0.000 1.279 326 S CA 1.119 59.321 58.200 0.003 0.000 1.069 326 S CB -0.009 63.191 63.200 0.001 0.000 0.828 326 S HN 0.871 nan 8.310 nan 0.000 0.497 327 G N 2.895 111.696 108.800 0.002 0.000 2.205 327 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.261 327 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.261 327 G C 0.269 175.168 174.900 -0.002 0.000 0.980 327 G CA 0.154 45.253 45.100 -0.002 0.000 0.632 327 G HN 1.499 nan 8.290 nan 0.000 0.533 328 A N 0.441 123.264 122.820 0.004 0.000 2.450 328 A HA 0.661 4.980 4.320 -0.000 0.000 0.255 328 A C 1.406 179.002 177.584 0.019 0.000 1.096 328 A CA 1.521 53.563 52.037 0.008 0.000 0.778 328 A CB 0.362 19.375 19.000 0.021 0.000 1.031 328 A HN 1.335 nan 8.150 nan 0.000 0.494 329 T N 0.176 114.739 114.554 0.016 0.000 2.955 329 T HA 0.330 4.680 4.350 -0.000 0.000 0.251 329 T C 0.199 174.925 174.700 0.044 0.000 1.002 329 T CA 0.130 62.244 62.100 0.023 0.000 0.970 329 T CB -0.204 68.669 68.868 0.007 0.000 1.091 329 T HN 0.346 nan 8.240 nan 0.000 0.495 330 L N 2.409 123.663 121.223 0.052 0.000 2.318 330 L HA 0.700 5.040 4.340 -0.000 0.000 0.277 330 L C 0.908 177.862 176.870 0.140 0.000 1.008 330 L CA -1.092 53.800 54.840 0.087 0.000 0.846 330 L CB 1.517 43.620 42.059 0.074 0.000 1.220 330 L HN 0.298 nan 8.230 nan 0.000 0.423 331 G N 3.655 112.524 108.800 0.115 0.000 2.489 331 G HA2 0.479 4.439 3.960 -0.000 0.000 0.271 331 G HA3 0.479 4.439 3.960 -0.000 0.000 0.271 331 G C -2.631 172.225 174.900 -0.074 0.000 1.427 331 G CA -0.752 44.409 45.100 0.101 0.000 1.057 331 G HN 0.323 nan 8.290 nan 0.000 0.532 332 P HA 0.350 nan 4.420 nan 0.000 0.283 332 P C -0.608 176.535 177.300 -0.262 0.000 1.271 332 P CA -0.826 61.862 63.100 -0.686 0.000 0.841 332 P CB 1.316 32.264 31.700 -1.253 0.000 1.122 333 L N 1.863 122.993 121.223 -0.156 0.000 2.483 333 L HA 0.058 4.398 4.340 -0.000 0.000 0.276 333 L C 2.198 178.951 176.870 -0.194 0.000 1.213 333 L CA 0.220 55.002 54.840 -0.098 0.000 0.843 333 L CB -0.929 41.099 42.059 -0.052 0.000 1.107 333 L HN 0.439 nan 8.230 nan 0.000 0.487 334 I N 1.801 122.198 120.570 -0.289 0.000 2.361 334 I HA -0.241 3.929 4.170 -0.000 0.000 0.251 334 I C 0.566 176.478 176.117 -0.340 0.000 1.133 334 I CA 0.994 62.039 61.300 -0.425 0.000 1.413 334 I CB 0.007 37.454 38.000 -0.922 0.000 1.073 334 I HN 0.984 nan 8.210 nan 0.000 0.424 335 N N -2.314 116.212 118.700 -0.290 0.000 3.106 335 N HA 0.063 4.803 4.740 -0.000 0.000 0.253 335 N C 0.208 175.644 175.510 -0.123 0.000 1.506 335 N CA -0.640 52.291 53.050 -0.199 0.000 0.876 335 N CB 0.381 38.728 38.487 -0.233 0.000 1.452 335 N HN -0.214 nan 8.380 nan 0.000 0.542 336 E N -0.040 120.108 120.200 -0.086 0.000 2.072 336 E HA -0.068 4.282 4.350 -0.000 0.000 0.191 336 E C 1.613 178.185 176.600 -0.046 0.000 0.985 336 E CA 1.443 57.816 56.400 -0.045 0.000 0.801 336 E CB -0.388 29.289 29.700 -0.038 0.000 0.750 336 E HN 0.670 nan 8.360 nan 0.000 0.452 337 A N 1.030 123.809 122.820 -0.068 0.000 2.032 337 A HA -0.159 4.161 4.320 -0.000 0.000 0.221 337 A C 2.284 179.828 177.584 -0.066 0.000 1.165 337 A CA 2.019 54.019 52.037 -0.062 0.000 0.645 337 A CB -0.436 18.522 19.000 -0.070 0.000 0.807 337 A HN 0.310 nan 8.150 nan 0.000 0.453 338 A N -1.013 121.755 122.820 -0.086 0.000 2.021 338 A HA 0.218 4.537 4.320 -0.000 0.000 0.216 338 A C 2.081 179.620 177.584 -0.075 0.000 1.163 338 A CA 1.213 53.203 52.037 -0.078 0.000 0.676 338 A CB -0.431 18.509 19.000 -0.101 0.000 0.818 338 A HN 0.327 nan 8.150 nan 0.000 0.453 339 V N 0.304 120.192 119.914 -0.044 0.000 2.453 339 V HA -0.152 3.968 4.120 -0.000 0.000 0.247 339 V C 3.133 179.223 176.094 -0.007 0.000 1.048 339 V CA 2.322 64.624 62.300 0.002 0.000 1.049 339 V CB -0.937 30.952 31.823 0.110 0.000 0.672 339 V HN 0.667 nan 8.190 nan 0.000 0.457 340 K N 0.494 120.891 120.400 -0.005 0.000 2.148 340 K HA -0.165 4.155 4.320 -0.000 0.000 0.204 340 K C 2.054 178.631 176.600 -0.038 0.000 1.050 340 K CA 1.798 58.087 56.287 0.003 0.000 0.942 340 K CB -0.465 32.038 32.500 0.004 0.000 0.724 340 K HN 0.485 nan 8.250 nan 0.000 0.446 341 K N 0.327 120.674 120.400 -0.088 0.000 2.025 341 K HA -0.039 4.281 4.320 -0.000 0.000 0.207 341 K C 2.019 178.473 176.600 -0.244 0.000 1.049 341 K CA 1.476 57.661 56.287 -0.169 0.000 0.933 341 K CB -0.404 31.992 32.500 -0.173 0.000 0.714 341 K HN 0.135 nan 8.250 nan 0.000 0.438 342 V N 1.474 121.242 119.914 -0.243 0.000 2.295 342 V HA -0.259 3.861 4.120 -0.000 0.000 0.246 342 V C 2.070 178.050 176.094 -0.191 0.000 1.049 342 V CA 2.158 64.263 62.300 -0.325 0.000 1.024 342 V CB -0.513 30.898 31.823 -0.687 0.000 0.648 342 V HN 0.408 nan 8.190 nan 0.000 0.447 343 E N -0.085 120.062 120.200 -0.088 0.000 2.058 343 E HA -0.240 4.110 4.350 -0.000 0.000 0.194 343 E C 2.455 179.113 176.600 0.097 0.000 0.997 343 E CA 1.638 58.105 56.400 0.112 0.000 0.801 343 E CB -0.303 29.501 29.700 0.174 0.000 0.746 343 E HN 0.495 nan 8.360 nan 0.000 0.450 344 S N -0.399 115.337 115.700 0.061 0.000 2.370 344 S HA -0.200 4.270 4.470 -0.000 0.000 0.226 344 S C 1.785 176.495 174.600 0.182 0.000 1.033 344 S CA 1.179 59.437 58.200 0.096 0.000 1.011 344 S CB -0.258 62.982 63.200 0.066 0.000 0.852 344 S HN 0.389 nan 8.310 nan 0.000 0.457 345 H N -0.308 118.776 119.070 0.024 0.000 2.389 345 H HA 0.035 4.590 4.556 -0.000 0.000 0.299 345 H C 2.046 177.393 175.328 0.031 0.000 1.081 345 H CA 1.449 57.512 56.048 0.026 0.000 1.345 345 H CB 0.009 29.779 29.762 0.014 0.000 1.393 345 H HN 0.382 nan 8.280 nan 0.000 0.520 346 I N 0.310 120.980 120.570 0.166 0.000 2.333 346 I HA -0.155 4.015 4.170 -0.000 0.000 0.246 346 I C 2.724 178.902 176.117 0.101 0.000 1.106 346 I CA 0.657 62.034 61.300 0.129 0.000 1.411 346 I CB -0.128 37.975 38.000 0.172 0.000 1.082 346 I HN 0.213 nan 8.210 nan 0.000 0.420 347 A N 0.208 123.090 122.820 0.104 0.000 2.015 347 A HA -0.264 4.056 4.320 -0.000 0.000 0.219 347 A C 1.923 179.543 177.584 0.060 0.000 1.163 347 A CA 2.143 54.228 52.037 0.079 0.000 0.646 347 A CB -0.581 18.466 19.000 0.078 0.000 0.806 347 A HN 0.464 nan 8.150 nan 0.000 0.448 348 D N -0.588 119.851 120.400 0.065 0.000 2.137 348 D HA 0.093 4.733 4.640 -0.000 0.000 0.202 348 D C 2.045 178.354 176.300 0.016 0.000 0.970 348 D CA 1.228 55.253 54.000 0.042 0.000 0.837 348 D CB -0.137 40.690 40.800 0.046 0.000 0.981 348 D HN 0.297 nan 8.370 nan 0.000 0.475 349 A N 0.209 123.033 122.820 0.007 0.000 1.845 349 A HA -0.118 4.202 4.320 -0.000 0.000 0.215 349 A C 2.087 179.666 177.584 -0.008 0.000 1.195 349 A CA 1.137 53.161 52.037 -0.021 0.000 0.616 349 A CB -1.030 17.951 19.000 -0.031 0.000 0.832 349 A HN 0.315 nan 8.150 nan 0.000 0.443 350 L N -0.233 120.998 121.223 0.013 0.000 2.051 350 L HA -0.227 4.113 4.340 -0.000 0.000 0.214 350 L C 2.967 179.844 176.870 0.011 0.000 1.076 350 L CA 2.124 56.973 54.840 0.015 0.000 0.758 350 L CB -0.948 41.129 42.059 0.030 0.000 0.890 350 L HN 0.429 nan 8.230 nan 0.000 0.433 351 A N -1.420 121.410 122.820 0.016 0.000 2.019 351 A HA -0.189 4.131 4.320 -0.000 0.000 0.219 351 A C 2.106 179.695 177.584 0.008 0.000 1.164 351 A CA 1.508 53.554 52.037 0.015 0.000 0.644 351 A CB -0.360 18.652 19.000 0.021 0.000 0.805 351 A HN 0.419 nan 8.150 nan 0.000 0.449 352 K N -1.582 118.818 120.400 0.001 0.000 2.397 352 K HA 0.328 4.647 4.320 -0.000 0.000 0.202 352 K C 0.725 177.317 176.600 -0.013 0.000 1.022 352 K CA 0.451 56.735 56.287 -0.005 0.000 1.141 352 K CB 0.296 32.792 32.500 -0.007 0.000 0.857 352 K HN 0.570 nan 8.250 nan 0.000 0.514 353 G N 0.468 109.261 108.800 -0.012 0.000 2.154 353 G HA2 -0.214 3.745 3.960 -0.000 0.000 0.186 353 G HA3 -0.214 3.745 3.960 -0.000 0.000 0.186 353 G C 0.188 175.075 174.900 -0.022 0.000 1.000 353 G CA -0.159 44.931 45.100 -0.015 0.000 0.664 353 G HN 0.404 nan 8.290 nan 0.000 0.513 354 A N -0.169 122.635 122.820 -0.027 0.000 2.296 354 A HA 0.826 5.146 4.320 -0.000 0.000 0.264 354 A C 0.641 178.221 177.584 -0.008 0.000 1.097 354 A CA 0.758 52.777 52.037 -0.031 0.000 0.811 354 A CB 0.681 19.653 19.000 -0.047 0.000 1.072 354 A HN 1.200 nan 8.150 nan 0.000 0.495 355 S N -0.196 115.505 115.700 0.001 0.000 2.532 355 S HA 0.449 4.919 4.470 -0.000 0.000 0.299 355 S C -0.865 173.745 174.600 0.017 0.000 1.105 355 S CA -0.517 57.690 58.200 0.012 0.000 1.018 355 S CB 1.297 64.508 63.200 0.017 0.000 1.021 355 S HN 0.620 nan 8.310 nan 0.000 0.483 356 L N 3.804 125.039 121.223 0.020 0.000 2.369 356 L HA 0.345 4.685 4.340 -0.000 0.000 0.279 356 L C 0.825 177.704 176.870 0.015 0.000 1.108 356 L CA 0.442 55.298 54.840 0.026 0.000 0.852 356 L CB 0.254 42.331 42.059 0.030 0.000 1.169 356 L HN 0.916 nan 8.230 nan 0.000 0.452 357 M N 2.301 121.908 119.600 0.011 0.000 2.545 357 M HA 0.105 4.584 4.480 -0.000 0.000 0.264 357 M C 0.117 176.408 176.300 -0.015 0.000 1.155 357 M CA 0.565 55.860 55.300 -0.009 0.000 1.162 357 M CB 0.485 33.068 32.600 -0.027 0.000 1.330 357 M HN 0.668 nan 8.290 nan 0.000 0.479 358 T N -0.768 113.786 114.554 -0.000 0.000 2.886 358 T HA 0.537 4.887 4.350 -0.000 0.000 0.330 358 T C -0.242 174.478 174.700 0.033 0.000 1.488 358 T CA 0.209 62.308 62.100 -0.002 0.000 1.054 358 T CB 1.186 70.035 68.868 -0.030 0.000 1.348 358 T HN 0.702 nan 8.240 nan 0.000 0.489 359 G N 1.936 110.752 108.800 0.027 0.000 2.552 359 G HA2 0.261 4.221 3.960 -0.000 0.000 0.265 359 G HA3 0.261 4.221 3.960 -0.000 0.000 0.265 359 G C 0.984 175.918 174.900 0.057 0.000 1.234 359 G CA 1.202 46.332 45.100 0.050 0.000 0.944 359 G HN 2.439 nan 8.290 nan 0.000 0.568 360 G N -3.553 105.324 108.800 0.127 0.000 2.184 360 G HA2 0.525 4.485 3.960 -0.000 0.000 0.206 360 G HA3 0.525 4.485 3.960 -0.000 0.000 0.206 360 G C 0.493 175.404 174.900 0.018 0.000 0.995 360 G CA 1.571 46.773 45.100 0.169 0.000 0.651 360 G HN 2.584 nan 8.290 nan 0.000 0.511 361 K N 0.211 120.393 120.400 -0.364 0.000 2.477 361 K HA 0.877 5.197 4.320 -0.000 0.000 0.255 361 K C 0.229 176.220 176.600 -1.014 0.000 0.952 361 K CA -0.406 55.573 56.287 -0.514 0.000 0.826 361 K CB 0.810 33.170 32.500 -0.233 0.000 1.331 361 K HN 0.613 nan 8.250 nan 0.000 0.437 362 R N 1.921 122.009 120.500 -0.687 0.000 2.585 362 R HA 0.063 4.403 4.340 -0.000 0.000 0.275 362 R C 0.388 176.563 176.300 -0.209 0.000 1.018 362 R CA -0.372 55.483 56.100 -0.410 0.000 1.072 362 R CB 0.130 30.387 30.300 -0.073 0.000 0.953 362 R HN 0.737 nan 8.270 nan 0.000 0.419 363 H N 1.431 120.426 119.070 -0.126 0.000 2.615 363 H HA 0.058 4.614 4.556 -0.000 0.000 0.363 363 H C 0.684 175.993 175.328 -0.032 0.000 1.148 363 H CA 0.355 56.371 56.048 -0.053 0.000 1.401 363 H CB 1.375 31.168 29.762 0.051 0.000 1.461 363 H HN 0.756 nan 8.280 nan 0.000 0.588 364 A N 4.655 127.108 122.820 -0.611 0.000 2.121 364 A HA -0.097 4.223 4.320 -0.000 0.000 0.218 364 A C 2.711 180.214 177.584 -0.135 0.000 1.154 364 A CA 1.361 53.194 52.037 -0.339 0.000 0.679 364 A CB -0.988 17.776 19.000 -0.394 0.000 0.795 364 A HN 0.655 nan 8.150 nan 0.000 0.458 365 L N -1.697 119.536 121.223 0.017 0.000 2.456 365 L HA 0.395 4.734 4.340 -0.000 0.000 0.224 365 L C 1.848 178.831 176.870 0.187 0.000 1.148 365 L CA 1.560 56.410 54.840 0.018 0.000 0.825 365 L CB -2.172 39.679 42.059 -0.347 0.000 0.937 365 L HN 1.644 nan 8.230 nan 0.000 0.450 366 G N -2.364 106.571 108.800 0.226 0.000 2.593 366 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.237 366 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.237 366 G C 0.345 175.462 174.900 0.362 0.000 1.312 366 G CA 0.662 45.868 45.100 0.177 0.000 0.896 366 G HN 1.713 nan 8.290 nan 0.000 0.574 367 H N -2.012 117.164 119.070 0.177 0.000 1.452 367 H HA -0.258 4.298 4.556 -0.000 0.000 0.090 367 H C 2.142 177.513 175.328 0.072 0.000 0.740 367 H CA 3.210 59.327 56.048 0.113 0.000 1.901 367 H CB -1.299 28.540 29.762 0.128 0.000 2.257 367 H HN 1.721 nan 8.280 nan 0.000 0.961 368 G N -0.054 108.822 108.800 0.126 0.000 3.042 368 G HA2 0.237 4.197 3.960 -0.000 0.000 0.212 368 G HA3 0.237 4.197 3.960 -0.000 0.000 0.212 368 G C -0.375 174.514 174.900 -0.018 0.000 1.166 368 G CA -0.148 44.936 45.100 -0.028 0.000 0.767 368 G HN 0.179 nan 8.290 nan 0.000 0.546 369 F N 0.462 120.515 119.950 0.171 0.000 2.495 369 F HA 0.514 5.041 4.527 -0.000 0.000 0.365 369 F C -0.072 175.879 175.800 0.252 0.000 1.090 369 F CA -0.567 57.535 58.000 0.170 0.000 1.235 369 F CB 0.619 39.705 39.000 0.144 0.000 1.119 369 F HN -0.028 nan 8.300 nan 0.000 0.562 370 F N 2.083 122.188 119.950 0.259 0.000 2.588 370 F HA 0.364 4.891 4.527 -0.000 0.000 0.310 370 F C -0.228 175.689 175.800 0.195 0.000 1.082 370 F CA -0.971 57.152 58.000 0.205 0.000 0.929 370 F CB 1.316 40.397 39.000 0.134 0.000 1.254 370 F HN 0.432 nan 8.300 nan 0.000 0.455 371 E N 5.683 125.898 120.200 0.026 0.000 2.384 371 E HA 0.128 4.478 4.350 -0.000 0.000 0.266 371 E C -2.305 174.491 176.600 0.328 0.000 1.012 371 E CA -1.583 54.901 56.400 0.139 0.000 0.901 371 E CB 0.239 29.929 29.700 -0.017 0.000 0.967 371 E HN 0.186 nan 8.360 nan 0.000 0.435 372 P HA -0.007 nan 4.420 nan 0.000 0.267 372 P C -0.883 176.539 177.300 0.203 0.000 1.209 372 P CA 0.075 63.300 63.100 0.208 0.000 0.763 372 P CB 0.728 32.378 31.700 -0.083 0.000 0.816 373 T N 2.450 117.199 114.554 0.325 0.000 2.841 373 T HA 0.434 4.784 4.350 -0.000 0.000 0.283 373 T C -0.339 174.493 174.700 0.220 0.000 1.000 373 T CA -0.498 61.752 62.100 0.250 0.000 0.977 373 T CB 1.414 70.466 68.868 0.307 0.000 0.979 373 T HN 0.070 nan 8.240 nan 0.000 0.446 374 V N 4.116 124.103 119.914 0.121 0.000 2.531 374 V HA 0.533 4.653 4.120 -0.000 0.000 0.301 374 V C -0.610 175.509 176.094 0.041 0.000 1.034 374 V CA -0.782 61.558 62.300 0.066 0.000 0.865 374 V CB 1.613 33.424 31.823 -0.019 0.000 0.995 374 V HN 0.719 nan 8.190 nan 0.000 0.424 375 L N 4.385 125.631 121.223 0.038 0.000 2.334 375 L HA 0.806 5.146 4.340 -0.000 0.000 0.273 375 L C 0.379 177.256 176.870 0.012 0.000 1.013 375 L CA -0.329 54.523 54.840 0.021 0.000 0.816 375 L CB 2.475 44.541 42.059 0.011 0.000 1.278 375 L HN 0.807 nan 8.230 nan 0.000 0.431 376 T N -2.518 112.054 114.554 0.030 0.000 2.940 376 T HA 0.606 4.956 4.350 -0.000 0.000 0.288 376 T C 0.716 175.454 174.700 0.063 0.000 1.045 376 T CA -0.157 62.008 62.100 0.109 0.000 1.018 376 T CB 1.697 70.666 68.868 0.168 0.000 1.151 376 T HN 0.953 nan 8.240 nan 0.000 0.529 377 G N 0.145 109.001 108.800 0.093 0.000 2.249 377 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.273 377 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.273 377 G C 0.030 174.856 174.900 -0.123 0.000 1.036 377 G CA 0.065 45.140 45.100 -0.041 0.000 0.824 377 G HN 1.092 nan 8.290 nan 0.000 0.504 378 V N -0.224 119.554 119.914 -0.227 0.000 2.614 378 V HA 0.691 4.811 4.120 -0.000 0.000 0.291 378 V C 0.736 176.479 176.094 -0.585 0.000 1.049 378 V CA 0.793 62.799 62.300 -0.490 0.000 1.038 378 V CB 0.958 32.305 31.823 -0.793 0.000 0.980 378 V HN 0.931 nan 8.190 nan 0.000 0.481 379 K N 5.220 125.398 120.400 -0.371 0.000 2.400 379 K HA 0.698 5.018 4.320 -0.000 0.000 0.246 379 K C -2.528 174.135 176.600 0.105 0.000 0.995 379 K CA -1.656 54.581 56.287 -0.084 0.000 0.840 379 K CB 0.878 33.363 32.500 -0.026 0.000 1.293 379 K HN 0.445 nan 8.250 nan 0.000 0.445 380 P HA -0.081 nan 4.420 nan 0.000 0.230 380 P C 0.262 177.661 177.300 0.164 0.000 1.158 380 P CA 1.032 64.308 63.100 0.293 0.000 0.769 380 P CB 0.312 32.160 31.700 0.247 0.000 0.807 381 D N -1.803 118.657 120.400 0.101 0.000 2.349 381 D HA -0.043 4.597 4.640 -0.000 0.000 0.224 381 D C 0.506 176.835 176.300 0.047 0.000 1.029 381 D CA 0.394 54.432 54.000 0.064 0.000 0.879 381 D CB -0.469 40.358 40.800 0.044 0.000 0.906 381 D HN 0.185 nan 8.370 nan 0.000 0.528 382 M N 0.523 120.150 119.600 0.045 0.000 2.409 382 M HA 0.162 4.641 4.480 -0.000 0.000 0.329 382 M C 0.662 176.960 176.300 -0.004 0.000 1.180 382 M CA -0.796 54.506 55.300 0.004 0.000 1.053 382 M CB 1.531 34.104 32.600 -0.045 0.000 1.586 382 M HN -0.380 nan 8.290 nan 0.000 0.461 383 D N 0.901 121.268 120.400 -0.056 0.000 2.149 383 D HA -0.146 4.494 4.640 -0.000 0.000 0.198 383 D C 1.772 177.921 176.300 -0.251 0.000 0.990 383 D CA 1.162 55.103 54.000 -0.099 0.000 0.839 383 D CB -0.050 40.709 40.800 -0.068 0.000 0.948 383 D HN 0.418 nan 8.370 nan 0.000 0.460 384 V N 0.532 120.204 119.914 -0.404 0.000 2.913 384 V HA -0.130 3.990 4.120 -0.000 0.000 0.260 384 V C 1.950 178.060 176.094 0.027 0.000 1.098 384 V CA 1.676 63.764 62.300 -0.353 0.000 1.121 384 V CB -0.368 31.315 31.823 -0.234 0.000 0.714 384 V HN 0.193 nan 8.190 nan 0.000 0.487 385 A N -0.768 122.132 122.820 0.133 0.000 2.167 385 A HA 0.114 4.434 4.320 -0.000 0.000 0.214 385 A C 2.155 179.824 177.584 0.141 0.000 1.151 385 A CA 1.703 53.873 52.037 0.221 0.000 0.735 385 A CB -0.349 18.838 19.000 0.312 0.000 0.802 385 A HN 0.617 nan 8.150 nan 0.000 0.467 386 K N -0.079 120.392 120.400 0.119 0.000 2.424 386 K HA 0.292 4.612 4.320 -0.000 0.000 0.200 386 K C 0.521 177.252 176.600 0.218 0.000 1.279 386 K CA 0.747 57.134 56.287 0.166 0.000 0.918 386 K CB 0.020 32.603 32.500 0.139 0.000 1.287 386 K HN 0.640 nan 8.250 nan 0.000 0.502 387 E N 0.935 121.241 120.200 0.177 0.000 2.222 387 E HA 0.357 4.707 4.350 -0.000 0.000 0.272 387 E C -1.116 175.618 176.600 0.223 0.000 0.982 387 E CA -0.798 55.736 56.400 0.222 0.000 0.842 387 E CB 1.899 31.788 29.700 0.314 0.000 1.144 387 E HN 0.381 nan 8.360 nan 0.000 0.397 388 E N 0.940 121.219 120.200 0.131 0.000 2.344 388 E HA 0.022 4.372 4.350 -0.000 0.000 0.270 388 E C 0.277 176.999 176.600 0.203 0.000 1.021 388 E CA 0.030 56.468 56.400 0.062 0.000 0.887 388 E CB 0.860 30.485 29.700 -0.125 0.000 0.997 388 E HN 0.478 nan 8.360 nan 0.000 0.429 389 T N 3.044 117.692 114.554 0.156 0.000 2.737 389 T HA -0.135 4.215 4.350 -0.000 0.000 0.265 389 T C 0.352 175.103 174.700 0.086 0.000 1.038 389 T CA 0.443 62.591 62.100 0.080 0.000 1.144 389 T CB -0.249 68.707 68.868 0.145 0.000 0.866 389 T HN 0.614 nan 8.240 nan 0.000 0.434 390 F N 1.157 121.096 119.950 -0.018 0.000 2.807 390 F HA -0.011 4.515 4.527 -0.000 0.000 0.297 390 F C 0.718 176.515 175.800 -0.004 0.000 1.024 390 F CA 0.398 58.403 58.000 0.007 0.000 1.008 390 F CB -1.372 37.658 39.000 0.051 0.000 1.142 390 F HN 0.486 nan 8.300 nan 0.000 0.829 391 G N 0.225 109.060 108.800 0.058 0.000 2.355 391 G HA2 0.473 4.433 3.960 -0.000 0.000 0.296 391 G HA3 0.473 4.433 3.960 -0.000 0.000 0.296 391 G C -3.173 171.712 174.900 -0.026 0.000 1.507 391 G CA -0.871 44.237 45.100 0.014 0.000 0.823 391 G HN -0.158 nan 8.290 nan 0.000 0.569 392 P HA 0.217 nan 4.420 nan 0.000 0.237 392 P C -0.475 176.921 177.300 0.161 0.000 1.701 392 P CA 0.047 63.234 63.100 0.146 0.000 0.955 392 P CB -0.003 31.941 31.700 0.407 0.000 1.937 393 L N 0.881 122.094 121.223 -0.016 0.000 2.325 393 L HA 0.697 5.037 4.340 -0.000 0.000 0.281 393 L C -0.664 176.235 176.870 0.047 0.000 1.004 393 L CA -0.939 53.937 54.840 0.061 0.000 0.823 393 L CB 1.742 43.830 42.059 0.049 0.000 1.236 393 L HN 0.040 nan 8.230 nan 0.000 0.415 394 A N 7.061 129.968 122.820 0.145 0.000 2.322 394 A HA 0.823 5.143 4.320 -0.000 0.000 0.327 394 A C -2.647 175.071 177.584 0.224 0.000 1.394 394 A CA -1.289 50.899 52.037 0.251 0.000 0.921 394 A CB -0.001 19.101 19.000 0.170 0.000 1.153 394 A HN 0.520 nan 8.150 nan 0.000 0.523 395 P HA 0.461 nan 4.420 nan 0.000 0.301 395 P C -0.885 176.561 177.300 0.244 0.000 1.348 395 P CA -0.226 62.967 63.100 0.155 0.000 0.826 395 P CB 1.145 32.916 31.700 0.118 0.000 0.945 396 L N 4.657 125.943 121.223 0.104 0.000 2.257 396 L HA 0.469 4.809 4.340 -0.000 0.000 0.290 396 L C 0.145 177.141 176.870 0.210 0.000 1.044 396 L CA -0.522 54.444 54.840 0.211 0.000 0.810 396 L CB 0.027 42.108 42.059 0.035 0.000 1.193 396 L HN 0.245 nan 8.230 nan 0.000 0.425 397 F N 1.992 122.015 119.950 0.122 0.000 2.408 397 F HA 0.602 5.129 4.527 -0.000 0.000 0.325 397 F C 0.553 176.544 175.800 0.318 0.000 1.082 397 F CA -0.726 57.323 58.000 0.081 0.000 1.032 397 F CB 1.346 40.154 39.000 -0.321 0.000 1.259 397 F HN 0.390 nan 8.300 nan 0.000 0.503 398 R N 1.463 122.204 120.500 0.401 0.000 2.637 398 R HA 0.623 4.963 4.340 -0.000 0.000 0.291 398 R C -1.763 174.729 176.300 0.320 0.000 0.963 398 R CA -0.691 55.536 56.100 0.212 0.000 0.901 398 R CB 1.701 31.894 30.300 -0.178 0.000 1.160 398 R HN 0.635 nan 8.270 nan 0.000 0.457 399 F N 0.363 120.339 119.950 0.043 0.000 2.619 399 F HA 0.667 5.194 4.527 -0.000 0.000 0.308 399 F C -0.579 175.033 175.800 -0.314 0.000 1.097 399 F CA -0.769 57.190 58.000 -0.069 0.000 0.953 399 F CB 1.765 40.739 39.000 -0.043 0.000 1.287 399 F HN 0.493 nan 8.300 nan 0.000 0.446 400 A N 1.445 124.176 122.820 -0.149 0.000 2.140 400 A HA 0.556 4.876 4.320 -0.000 0.000 0.209 400 A C 0.510 178.034 177.584 -0.101 0.000 1.181 400 A CA 0.840 52.711 52.037 -0.276 0.000 0.824 400 A CB -0.520 18.440 19.000 -0.067 0.000 0.879 400 A HN 1.201 nan 8.150 nan 0.000 0.480 401 S N -1.942 113.870 115.700 0.186 0.000 2.607 401 S HA 0.420 4.889 4.470 -0.000 0.000 0.273 401 S C 0.381 175.238 174.600 0.428 0.000 1.148 401 S CA 0.177 58.571 58.200 0.323 0.000 0.833 401 S CB 1.281 64.600 63.200 0.198 0.000 1.130 401 S HN 0.239 nan 8.310 nan 0.000 0.470 402 E N 0.797 121.258 120.200 0.435 0.000 2.038 402 E HA -0.256 4.094 4.350 -0.000 0.000 0.195 402 E C 1.661 178.348 176.600 0.145 0.000 1.000 402 E CA 1.745 58.365 56.400 0.368 0.000 0.803 402 E CB -0.289 29.571 29.700 0.266 0.000 0.750 402 E HN 0.807 nan 8.360 nan 0.000 0.448 403 E N 0.370 120.637 120.200 0.111 0.000 2.097 403 E HA -0.283 4.067 4.350 -0.000 0.000 0.196 403 E C 2.090 178.696 176.600 0.011 0.000 1.000 403 E CA 1.569 57.998 56.400 0.049 0.000 0.804 403 E CB -0.081 29.649 29.700 0.051 0.000 0.740 403 E HN 0.318 nan 8.360 nan 0.000 0.454 404 E N 0.059 120.280 120.200 0.035 0.000 2.106 404 E HA -0.196 4.154 4.350 -0.000 0.000 0.192 404 E C 2.281 178.801 176.600 -0.133 0.000 0.984 404 E CA 0.843 57.242 56.400 -0.000 0.000 0.806 404 E CB -0.045 29.702 29.700 0.078 0.000 0.750 404 E HN 0.285 nan 8.360 nan 0.000 0.458 405 L N 0.310 121.383 121.223 -0.250 0.000 2.027 405 L HA -0.148 4.192 4.340 -0.000 0.000 0.206 405 L C 2.289 178.876 176.870 -0.470 0.000 1.074 405 L CA 1.165 55.630 54.840 -0.625 0.000 0.745 405 L CB -0.296 41.139 42.059 -1.040 0.000 0.898 405 L HN -0.036 nan 8.230 nan 0.000 0.433 406 V N 0.171 119.934 119.914 -0.251 0.000 2.287 406 V HA -0.314 3.806 4.120 -0.000 0.000 0.248 406 V C 2.802 178.793 176.094 -0.171 0.000 1.053 406 V CA 2.229 64.425 62.300 -0.174 0.000 1.027 406 V CB -0.793 30.983 31.823 -0.078 0.000 0.646 406 V HN 0.525 nan 8.190 nan 0.000 0.447 407 R N -0.732 119.681 120.500 -0.145 0.000 2.091 407 R HA -0.185 4.155 4.340 -0.000 0.000 0.238 407 R C 2.205 178.411 176.300 -0.157 0.000 1.136 407 R CA 1.662 57.693 56.100 -0.115 0.000 0.959 407 R CB -0.236 30.019 30.300 -0.074 0.000 0.856 407 R HN 0.351 nan 8.270 nan 0.000 0.437 408 L N 0.078 121.141 121.223 -0.266 0.000 2.131 408 L HA 0.058 4.398 4.340 -0.000 0.000 0.206 408 L C 2.311 178.895 176.870 -0.477 0.000 1.087 408 L CA 1.835 56.465 54.840 -0.350 0.000 0.767 408 L CB -0.773 40.985 42.059 -0.501 0.000 0.917 408 L HN 0.209 nan 8.230 nan 0.000 0.441 409 A N -0.734 121.739 122.820 -0.577 0.000 1.968 409 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 409 A C 1.824 179.379 177.584 -0.048 0.000 1.169 409 A CA 1.442 53.238 52.037 -0.402 0.000 0.638 409 A CB -0.409 18.352 19.000 -0.398 0.000 0.812 409 A HN 0.501 nan 8.150 nan 0.000 0.446 410 N N 0.079 118.737 118.700 -0.070 0.000 2.353 410 N HA 0.002 4.742 4.740 -0.000 0.000 0.185 410 N C -0.148 175.325 175.510 -0.062 0.000 1.098 410 N CA 0.368 53.394 53.050 -0.039 0.000 0.872 410 N CB -0.123 38.328 38.487 -0.059 0.000 0.970 410 N HN 0.391 nan 8.380 nan 0.000 0.467 411 D N 0.960 121.327 120.400 -0.056 0.000 2.745 411 D HA 0.039 4.679 4.640 -0.000 0.000 0.229 411 D C -0.658 175.638 176.300 -0.006 0.000 1.088 411 D CA 0.413 54.393 54.000 -0.033 0.000 1.054 411 D CB -0.288 40.501 40.800 -0.019 0.000 1.132 411 D HN -0.064 nan 8.370 nan 0.000 0.464 412 T N -1.033 113.500 114.554 -0.035 0.000 2.957 412 T HA 0.456 4.806 4.350 -0.000 0.000 0.336 412 T C 0.718 175.325 174.700 -0.155 0.000 1.462 412 T CA 0.086 62.171 62.100 -0.024 0.000 1.073 412 T CB 1.064 69.995 68.868 0.105 0.000 1.319 412 T HN 0.005 nan 8.240 nan 0.000 0.485 413 E N 2.456 122.464 120.200 -0.320 0.000 2.285 413 E HA 0.276 4.626 4.350 -0.000 0.000 0.194 413 E C 0.165 176.445 176.600 -0.533 0.000 0.997 413 E CA 0.794 56.897 56.400 -0.494 0.000 0.845 413 E CB -0.264 29.030 29.700 -0.677 0.000 0.782 413 E HN 0.552 nan 8.360 nan 0.000 0.491 414 F N -0.916 118.975 119.950 -0.098 0.000 2.378 414 F HA 0.620 5.147 4.527 -0.000 0.000 0.325 414 F C 1.304 176.925 175.800 -0.297 0.000 1.097 414 F CA -0.581 57.346 58.000 -0.122 0.000 1.079 414 F CB 2.290 41.270 39.000 -0.034 0.000 1.240 414 F HN -0.028 nan 8.300 nan 0.000 0.519 415 G N 1.583 110.308 108.800 -0.124 0.000 4.677 415 G HA2 0.336 4.296 3.960 -0.000 0.000 0.225 415 G HA3 0.336 4.296 3.960 -0.000 0.000 0.225 415 G C -0.386 174.418 174.900 -0.160 0.000 0.876 415 G CA -0.119 44.668 45.100 -0.521 0.000 0.652 415 G HN 0.545 nan 8.290 nan 0.000 0.481 416 L N 1.061 122.324 121.223 0.067 0.000 2.140 416 L HA 0.853 5.193 4.340 -0.000 0.000 0.201 416 L C 1.292 178.186 176.870 0.039 0.000 1.191 416 L CA 1.431 56.278 54.840 0.011 0.000 0.825 416 L CB -0.309 41.732 42.059 -0.031 0.000 0.970 416 L HN 0.307 nan 8.230 nan 0.000 0.477 417 A N -1.081 121.733 122.820 -0.009 0.000 2.337 417 A HA 0.866 5.186 4.320 -0.000 0.000 0.331 417 A C -0.944 176.327 177.584 -0.521 0.000 1.137 417 A CA 0.052 51.925 52.037 -0.274 0.000 0.807 417 A CB 1.065 19.876 19.000 -0.315 0.000 1.250 417 A HN 0.651 nan 8.150 nan 0.000 0.468 418 A N 0.047 122.357 122.820 -0.851 0.000 2.594 418 A HA 0.827 5.147 4.320 -0.000 0.000 0.291 418 A C -1.862 175.099 177.584 -1.039 0.000 1.105 418 A CA -0.462 51.019 52.037 -0.927 0.000 0.694 418 A CB 1.022 19.396 19.000 -1.042 0.000 1.291 418 A HN 0.984 nan 8.150 nan 0.000 0.410 419 Y N -0.641 119.459 120.300 -0.334 0.000 2.470 419 Y HA 0.635 5.184 4.550 -0.000 0.000 0.341 419 Y C -0.781 174.884 175.900 -0.392 0.000 1.021 419 Y CA -0.719 57.158 58.100 -0.372 0.000 1.025 419 Y CB 2.346 40.515 38.460 -0.486 0.000 1.266 419 Y HN 0.626 nan 8.280 nan 0.000 0.448 420 L N 3.879 124.978 121.223 -0.207 0.000 2.441 420 L HA 0.567 4.907 4.340 -0.000 0.000 0.270 420 L C -2.209 174.571 176.870 -0.151 0.000 0.973 420 L CA -1.047 53.722 54.840 -0.118 0.000 0.842 420 L CB 0.797 42.792 42.059 -0.107 0.000 1.239 420 L HN 0.575 nan 8.230 nan 0.000 0.406 421 Y N 3.876 124.160 120.300 -0.026 0.000 2.334 421 Y HA 0.740 5.290 4.550 -0.000 0.000 0.336 421 Y C 0.407 176.410 175.900 0.171 0.000 0.960 421 Y CA 0.055 58.183 58.100 0.047 0.000 1.164 421 Y CB 1.869 40.349 38.460 0.033 0.000 1.155 421 Y HN 0.734 nan 8.280 nan 0.000 0.478 422 S N 2.441 118.249 115.700 0.180 0.000 2.597 422 S HA 0.442 4.912 4.470 -0.000 0.000 0.274 422 S C -0.309 174.318 174.600 0.045 0.000 1.132 422 S CA -0.835 57.446 58.200 0.134 0.000 0.835 422 S CB 1.106 64.334 63.200 0.047 0.000 1.092 422 S HN 0.635 nan 8.310 nan 0.000 0.457 423 R N 1.165 121.685 120.500 0.034 0.000 2.279 423 R HA 0.258 4.598 4.340 -0.000 0.000 0.195 423 R C 0.002 176.304 176.300 0.004 0.000 0.905 423 R CA 0.013 56.127 56.100 0.023 0.000 1.044 423 R CB -0.457 29.867 30.300 0.039 0.000 1.056 423 R HN 0.736 nan 8.270 nan 0.000 0.535 424 D N 2.514 122.901 120.400 -0.022 0.000 2.344 424 D HA -0.033 4.607 4.640 -0.000 0.000 0.253 424 D C 1.352 177.648 176.300 -0.007 0.000 1.255 424 D CA -0.040 53.945 54.000 -0.025 0.000 0.894 424 D CB 0.831 41.598 40.800 -0.055 0.000 1.067 424 D HN -0.086 nan 8.370 nan 0.000 0.492 425 I N 4.161 124.751 120.570 0.033 0.000 2.236 425 I HA -0.235 3.935 4.170 -0.000 0.000 0.249 425 I C 1.811 178.022 176.117 0.157 0.000 1.102 425 I CA 1.626 62.990 61.300 0.107 0.000 1.365 425 I CB -0.476 37.584 38.000 0.099 0.000 1.051 425 I HN 0.538 nan 8.210 nan 0.000 0.420 426 G N -0.105 108.731 108.800 0.059 0.000 2.464 426 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.217 426 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.217 426 G C 1.857 176.778 174.900 0.035 0.000 1.138 426 G CA 0.347 45.473 45.100 0.043 0.000 0.793 426 G HN 0.348 nan 8.290 nan 0.000 0.539 427 R N -0.017 120.464 120.500 -0.032 0.000 2.075 427 R HA 0.041 4.381 4.340 -0.000 0.000 0.226 427 R C 2.546 178.796 176.300 -0.084 0.000 1.114 427 R CA 0.919 56.946 56.100 -0.121 0.000 0.972 427 R CB -0.222 29.897 30.300 -0.301 0.000 0.869 427 R HN 0.214 nan 8.270 nan 0.000 0.437 428 V N 0.037 119.927 119.914 -0.041 0.000 2.287 428 V HA -0.277 3.843 4.120 -0.000 0.000 0.248 428 V C 1.851 177.923 176.094 -0.037 0.000 1.053 428 V CA 1.983 64.252 62.300 -0.052 0.000 1.027 428 V CB -0.636 31.151 31.823 -0.060 0.000 0.646 428 V HN 0.445 nan 8.190 nan 0.000 0.447 429 W N 0.238 121.496 121.300 -0.070 0.000 2.355 429 W HA -0.082 4.578 4.660 -0.000 0.000 0.309 429 W C 2.849 179.337 176.519 -0.052 0.000 1.206 429 W CA 1.613 58.925 57.345 -0.055 0.000 1.284 429 W CB -0.364 29.068 29.460 -0.047 0.000 1.145 429 W HN 0.025 nan 8.180 nan 0.000 0.502 430 R N -0.367 120.241 120.500 0.181 0.000 2.080 430 R HA -0.187 4.153 4.340 -0.000 0.000 0.236 430 R C 1.866 178.191 176.300 0.040 0.000 1.137 430 R CA 2.127 58.282 56.100 0.091 0.000 0.943 430 R CB -1.160 29.167 30.300 0.045 0.000 0.846 430 R HN 0.118 nan 8.270 nan 0.000 0.431 431 V N 0.682 120.603 119.914 0.011 0.000 2.307 431 V HA -0.187 3.933 4.120 -0.000 0.000 0.245 431 V C 2.424 178.493 176.094 -0.041 0.000 1.045 431 V CA 1.834 64.132 62.300 -0.004 0.000 1.024 431 V CB -0.733 31.108 31.823 0.031 0.000 0.651 431 V HN 0.410 nan 8.190 nan 0.000 0.449 432 A N -0.441 122.331 122.820 -0.081 0.000 1.978 432 A HA -0.253 4.067 4.320 -0.000 0.000 0.220 432 A C 2.178 179.703 177.584 -0.099 0.000 1.170 432 A CA 1.958 53.911 52.037 -0.139 0.000 0.636 432 A CB -0.429 18.418 19.000 -0.255 0.000 0.810 432 A HN 0.643 nan 8.150 nan 0.000 0.448 433 E N -0.709 119.466 120.200 -0.041 0.000 2.158 433 E HA 0.029 4.379 4.350 -0.000 0.000 0.191 433 E C 2.163 178.760 176.600 -0.005 0.000 0.982 433 E CA 0.686 57.084 56.400 -0.003 0.000 0.823 433 E CB -0.150 29.592 29.700 0.070 0.000 0.766 433 E HN 0.620 nan 8.360 nan 0.000 0.468 434 A N 0.918 123.734 122.820 -0.006 0.000 2.067 434 A HA 0.036 4.356 4.320 -0.000 0.000 0.217 434 A C 1.121 178.700 177.584 -0.009 0.000 1.156 434 A CA 0.094 52.125 52.037 -0.010 0.000 0.683 434 A CB -0.195 18.799 19.000 -0.011 0.000 0.808 434 A HN 0.079 nan 8.150 nan 0.000 0.455 435 L N 1.595 122.819 121.223 0.001 0.000 2.500 435 L HA 0.051 4.390 4.340 -0.000 0.000 0.272 435 L C -0.047 176.895 176.870 0.120 0.000 1.149 435 L CA -0.067 54.823 54.840 0.083 0.000 0.897 435 L CB 0.406 42.484 42.059 0.032 0.000 1.178 435 L HN 0.335 nan 8.230 nan 0.000 0.473 436 E N 4.603 124.844 120.200 0.068 0.000 1.972 436 E HA 0.188 4.537 4.350 -0.000 0.000 0.292 436 E C -1.321 175.055 176.600 -0.374 0.000 1.193 436 E CA 0.018 56.337 56.400 -0.134 0.000 1.228 436 E CB 0.099 29.674 29.700 -0.208 0.000 1.167 436 E HN 0.359 nan 8.360 nan 0.000 0.479 437 Y N -1.442 118.785 120.300 -0.123 0.000 2.553 437 Y HA 0.333 4.883 4.550 -0.000 0.000 0.347 437 Y C 1.341 177.145 175.900 -0.161 0.000 1.019 437 Y CA -1.050 56.964 58.100 -0.144 0.000 1.032 437 Y CB 1.721 40.075 38.460 -0.176 0.000 1.284 437 Y HN 0.259 nan 8.280 nan 0.000 0.466 438 G N 0.994 109.773 108.800 -0.036 0.000 2.421 438 G HA2 0.043 4.003 3.960 -0.000 0.000 0.217 438 G HA3 0.043 4.003 3.960 -0.000 0.000 0.217 438 G C 0.093 174.908 174.900 -0.142 0.000 1.143 438 G CA 0.504 45.535 45.100 -0.115 0.000 0.784 438 G HN 0.420 nan 8.290 nan 0.000 0.541 439 M N 0.382 119.887 119.600 -0.159 0.000 2.267 439 M HA 0.456 4.936 4.480 -0.000 0.000 0.289 439 M C -1.795 174.337 176.300 -0.280 0.000 1.043 439 M CA -0.450 54.715 55.300 -0.225 0.000 0.928 439 M CB 3.484 35.904 32.600 -0.300 0.000 1.613 439 M HN -0.245 nan 8.290 nan 0.000 0.450 440 V N 1.628 121.376 119.914 -0.278 0.000 2.531 440 V HA 0.694 4.814 4.120 -0.000 0.000 0.301 440 V C 0.189 176.097 176.094 -0.310 0.000 1.034 440 V CA -0.780 61.313 62.300 -0.346 0.000 0.865 440 V CB 1.967 33.623 31.823 -0.279 0.000 0.995 440 V HN 0.998 nan 8.190 nan 0.000 0.424 441 G N 5.139 113.725 108.800 -0.358 0.000 2.325 441 G HA2 0.600 4.560 3.960 -0.000 0.000 0.298 441 G HA3 0.600 4.560 3.960 -0.000 0.000 0.298 441 G C -0.533 174.239 174.900 -0.213 0.000 1.134 441 G CA -0.367 44.623 45.100 -0.183 0.000 0.876 441 G HN 0.479 nan 8.290 nan 0.000 0.452 442 I N 2.998 123.432 120.570 -0.226 0.000 2.330 442 I HA 0.203 4.372 4.170 -0.000 0.000 0.286 442 I C 0.204 176.099 176.117 -0.370 0.000 1.025 442 I CA -0.669 60.459 61.300 -0.287 0.000 1.197 442 I CB 0.650 38.510 38.000 -0.233 0.000 1.358 442 I HN 0.548 nan 8.210 nan 0.000 0.467 443 N N 2.550 120.823 118.700 -0.712 0.000 2.747 443 N HA -0.187 4.553 4.740 -0.000 0.000 0.249 443 N C 0.132 175.258 175.510 -0.639 0.000 1.107 443 N CA 1.222 53.652 53.050 -1.034 0.000 0.707 443 N CB -0.690 37.561 38.487 -0.393 0.000 1.054 443 N HN 0.792 nan 8.380 nan 0.000 0.555 444 T N -2.991 111.300 114.554 -0.438 0.000 2.942 444 T HA 0.579 4.928 4.350 -0.000 0.000 0.327 444 T C 0.683 175.541 174.700 0.263 0.000 1.360 444 T CA 0.125 62.269 62.100 0.073 0.000 1.055 444 T CB 1.431 70.329 68.868 0.049 0.000 1.261 444 T HN 0.066 nan 8.240 nan 0.000 0.485 445 G N 2.250 111.261 108.800 0.351 0.000 3.277 445 G HA2 0.438 4.398 3.960 -0.000 0.000 0.243 445 G HA3 0.438 4.398 3.960 -0.000 0.000 0.243 445 G C -0.119 174.909 174.900 0.213 0.000 1.107 445 G CA -0.098 45.157 45.100 0.258 0.000 0.771 445 G HN 0.598 nan 8.290 nan 0.000 0.544 446 L N 1.118 122.474 121.223 0.222 0.000 2.372 446 L HA 0.502 4.842 4.340 -0.000 0.000 0.274 446 L C 0.503 177.459 176.870 0.144 0.000 0.988 446 L CA -0.701 54.241 54.840 0.171 0.000 0.833 446 L CB 1.941 44.064 42.059 0.106 0.000 1.236 446 L HN 0.254 nan 8.230 nan 0.000 0.410 447 I N -2.215 118.444 120.570 0.148 0.000 4.730 447 I HA 0.228 4.398 4.170 -0.000 0.000 0.332 447 I C 0.356 176.539 176.117 0.110 0.000 1.299 447 I CA -0.077 61.280 61.300 0.096 0.000 1.294 447 I CB 1.052 39.086 38.000 0.056 0.000 1.317 447 I HN 0.325 nan 8.210 nan 0.000 0.457 448 S N 3.982 119.771 115.700 0.148 0.000 2.509 448 S HA 0.353 4.822 4.470 -0.000 0.000 0.287 448 S C -0.266 174.433 174.600 0.165 0.000 1.248 448 S CA -0.171 58.154 58.200 0.208 0.000 1.089 448 S CB -0.577 62.675 63.200 0.087 0.000 0.900 448 S HN 0.788 nan 8.310 nan 0.000 0.496 449 N N 0.349 119.170 118.700 0.202 0.000 3.020 449 N HA 0.224 4.964 4.740 -0.000 0.000 0.248 449 N C 0.273 175.665 175.510 -0.196 0.000 1.480 449 N CA -0.952 52.135 53.050 0.060 0.000 0.874 449 N CB 0.563 39.021 38.487 -0.049 0.000 1.433 449 N HN 0.331 nan 8.380 nan 0.000 0.530 450 E N -0.110 119.724 120.200 -0.611 0.000 2.285 450 E HA -0.089 4.261 4.350 -0.000 0.000 0.194 450 E C 1.170 177.111 176.600 -1.098 0.000 0.997 450 E CA 1.544 57.305 56.400 -1.065 0.000 0.845 450 E CB -0.195 28.701 29.700 -1.340 0.000 0.782 450 E HN 0.555 nan 8.360 nan 0.000 0.491 451 V N -1.367 117.998 119.914 -0.915 0.000 3.506 451 V HA 0.467 4.587 4.120 -0.000 0.000 0.263 451 V C 0.937 176.763 176.094 -0.446 0.000 1.203 451 V CA 0.253 61.932 62.300 -1.035 0.000 1.133 451 V CB -0.169 31.218 31.823 -0.726 0.000 0.802 451 V HN 0.312 nan 8.190 nan 0.000 0.459 452 A N 1.395 124.065 122.820 -0.249 0.000 2.325 452 A HA 0.880 5.200 4.320 -0.000 0.000 0.333 452 A C -2.916 174.694 177.584 0.043 0.000 1.155 452 A CA -2.110 49.889 52.037 -0.065 0.000 0.814 452 A CB 0.818 19.800 19.000 -0.029 0.000 1.206 452 A HN 0.326 nan 8.150 nan 0.000 0.482 453 P HA 0.256 nan 4.420 nan 0.000 0.276 453 P C -1.056 176.325 177.300 0.134 0.000 1.264 453 P CA 0.279 63.470 63.100 0.152 0.000 0.769 453 P CB 0.038 31.821 31.700 0.139 0.000 0.840 454 F N 4.159 124.137 119.950 0.047 0.000 2.410 454 F HA 0.683 5.209 4.527 -0.000 0.000 0.349 454 F C 0.609 176.411 175.800 0.004 0.000 1.117 454 F CA 0.665 58.680 58.000 0.025 0.000 1.104 454 F CB 0.977 40.007 39.000 0.050 0.000 1.122 454 F HN 0.574 nan 8.300 nan 0.000 0.483 455 G N 2.727 111.343 108.800 -0.306 0.000 2.320 455 G HA2 0.453 4.413 3.960 -0.000 0.000 0.297 455 G HA3 0.453 4.413 3.960 -0.000 0.000 0.297 455 G C -1.530 173.240 174.900 -0.217 0.000 1.344 455 G CA -0.273 44.734 45.100 -0.156 0.000 0.851 455 G HN 0.989 nan 8.290 nan 0.000 0.567 456 G N -1.624 107.104 108.800 -0.120 0.000 2.600 456 G HA2 0.931 4.891 3.960 -0.000 0.000 0.303 456 G HA3 0.931 4.891 3.960 -0.000 0.000 0.303 456 G C -0.016 174.832 174.900 -0.088 0.000 1.253 456 G CA 0.200 45.235 45.100 -0.108 0.000 0.974 456 G HN 1.862 nan 8.290 nan 0.000 0.483 457 V N -2.106 117.744 119.914 -0.108 0.000 3.302 457 V HA 0.823 4.942 4.120 -0.000 0.000 0.316 457 V C 0.760 176.789 176.094 -0.108 0.000 1.111 457 V CA -0.324 61.909 62.300 -0.111 0.000 1.029 457 V CB 0.844 32.585 31.823 -0.137 0.000 1.170 457 V HN 1.117 nan 8.190 nan 0.000 0.452 458 K N -1.057 119.279 120.400 -0.108 0.000 1.882 458 K HA -0.221 4.098 4.320 -0.000 0.000 0.199 458 K C 0.908 177.461 176.600 -0.077 0.000 1.562 458 K CA 1.650 57.867 56.287 -0.115 0.000 0.515 458 K CB -1.246 31.151 32.500 -0.172 0.000 0.682 458 K HN 0.802 nan 8.250 nan 0.000 0.843 459 Q N 0.603 120.345 119.800 -0.097 0.000 2.329 459 Q HA 0.105 4.445 4.340 -0.000 0.000 0.208 459 Q C 0.791 176.875 176.000 0.140 0.000 0.934 459 Q CA 0.754 56.534 55.803 -0.038 0.000 0.951 459 Q CB 0.541 29.153 28.738 -0.209 0.000 1.017 459 Q HN 0.355 nan 8.270 nan 0.000 0.490 460 S N -0.396 115.368 115.700 0.107 0.000 2.575 460 S HA 0.341 4.810 4.470 -0.000 0.000 0.215 460 S C 0.815 175.461 174.600 0.077 0.000 0.966 460 S CA 0.427 58.704 58.200 0.129 0.000 0.911 460 S CB 0.508 63.749 63.200 0.069 0.000 0.780 460 S HN 0.652 nan 8.310 nan 0.000 0.514 461 G N 0.971 109.804 108.800 0.055 0.000 2.396 461 G HA2 0.054 4.014 3.960 -0.000 0.000 0.254 461 G HA3 0.054 4.014 3.960 -0.000 0.000 0.254 461 G C -1.811 173.099 174.900 0.016 0.000 1.248 461 G CA -0.606 44.525 45.100 0.052 0.000 1.033 461 G HN 0.509 nan 8.290 nan 0.000 0.502 462 L N -2.077 119.158 121.223 0.020 0.000 2.479 462 L HA 1.010 5.350 4.340 -0.000 0.000 0.255 462 L C 0.797 177.668 176.870 0.002 0.000 1.026 462 L CA -0.061 54.777 54.840 -0.002 0.000 0.842 462 L CB 1.215 43.267 42.059 -0.011 0.000 1.444 462 L HN 2.876 nan 8.230 nan 0.000 0.409 463 G N 0.263 109.056 108.800 -0.011 0.000 2.710 463 G HA2 0.147 4.107 3.960 -0.000 0.000 0.668 463 G HA3 0.147 4.107 3.960 -0.000 0.000 0.668 463 G C -1.312 173.600 174.900 0.020 0.000 1.320 463 G CA -0.852 44.249 45.100 0.002 0.000 0.860 463 G HN 0.712 nan 8.290 nan 0.000 0.538 464 R N 0.047 120.584 120.500 0.063 0.000 2.698 464 R HA 0.593 4.933 4.340 -0.000 0.000 0.275 464 R C -0.632 175.785 176.300 0.196 0.000 1.001 464 R CA -0.745 55.422 56.100 0.113 0.000 0.896 464 R CB 1.980 32.322 30.300 0.070 0.000 1.218 464 R HN 0.741 nan 8.270 nan 0.000 0.462 465 E N -0.087 120.259 120.200 0.243 0.000 2.227 465 E HA 0.604 4.954 4.350 -0.000 0.000 0.268 465 E C -0.203 176.607 176.600 0.350 0.000 0.907 465 E CA -0.499 56.056 56.400 0.257 0.000 0.786 465 E CB 2.173 31.933 29.700 0.101 0.000 1.191 465 E HN 0.780 nan 8.360 nan 0.000 0.411 466 G N 1.848 110.980 108.800 0.554 0.000 2.855 466 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.352 466 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.352 466 G C 0.024 175.066 174.900 0.237 0.000 1.415 466 G CA -0.149 45.205 45.100 0.424 0.000 0.871 466 G HN 1.573 nan 8.290 nan 0.000 0.543 467 S N -2.385 113.252 115.700 -0.106 0.000 3.460 467 S HA -0.288 4.182 4.470 -0.000 0.000 0.637 467 S C 1.295 176.097 174.600 0.337 0.000 2.505 467 S CA 1.694 59.905 58.200 0.019 0.000 2.686 467 S CB -1.163 61.999 63.200 -0.063 0.000 0.330 467 S HN 2.722 nan 8.310 nan 0.000 1.795 468 H N 0.126 119.324 119.070 0.214 0.000 2.495 468 H HA -0.001 4.555 4.556 -0.000 0.000 0.287 468 H C 1.699 177.093 175.328 0.109 0.000 1.033 468 H CA 1.663 57.775 56.048 0.107 0.000 1.307 468 H CB -0.565 29.147 29.762 -0.084 0.000 1.401 468 H HN 0.695 nan 8.280 nan 0.000 0.555 469 Y N 1.888 122.182 120.300 -0.010 0.000 2.439 469 Y HA 0.090 4.639 4.550 -0.000 0.000 0.292 469 Y C 2.872 178.900 175.900 0.213 0.000 1.130 469 Y CA 0.651 58.805 58.100 0.091 0.000 1.254 469 Y CB -0.454 37.991 38.460 -0.025 0.000 1.000 469 Y HN 0.359 nan 8.280 nan 0.000 0.554 470 G N -0.007 109.073 108.800 0.467 0.000 2.422 470 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.218 470 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.218 470 G C 1.696 176.868 174.900 0.453 0.000 1.146 470 G CA 0.956 46.368 45.100 0.520 0.000 0.769 470 G HN 0.488 nan 8.290 nan 0.000 0.547 471 I N 0.071 120.931 120.570 0.483 0.000 2.876 471 I HA 0.007 4.177 4.170 -0.000 0.000 0.264 471 I C 1.624 177.948 176.117 0.345 0.000 1.204 471 I CA 0.608 62.121 61.300 0.355 0.000 1.485 471 I CB 0.088 38.292 38.000 0.341 0.000 1.103 471 I HN -0.013 nan 8.210 nan 0.000 0.446 472 D N 1.013 121.596 120.400 0.306 0.000 2.218 472 D HA -0.180 4.459 4.640 -0.000 0.000 0.204 472 D C 1.324 177.724 176.300 0.165 0.000 0.976 472 D CA 1.056 55.195 54.000 0.231 0.000 0.853 472 D CB -0.197 40.746 40.800 0.238 0.000 0.939 472 D HN 0.440 nan 8.370 nan 0.000 0.481 473 D N -0.526 119.957 120.400 0.138 0.000 2.371 473 D HA -0.094 4.546 4.640 -0.000 0.000 0.221 473 D C 0.874 177.039 176.300 -0.226 0.000 0.986 473 D CA 0.454 54.414 54.000 -0.065 0.000 0.899 473 D CB 0.120 40.824 40.800 -0.160 0.000 0.902 473 D HN 0.403 nan 8.370 nan 0.000 0.530 474 Y N -0.069 120.253 120.300 0.036 0.000 2.467 474 Y HA 0.095 4.645 4.550 -0.000 0.000 0.250 474 Y C 0.727 176.654 175.900 0.045 0.000 1.155 474 Y CA -0.383 57.727 58.100 0.018 0.000 1.249 474 Y CB 0.848 39.307 38.460 -0.003 0.000 1.146 474 Y HN -0.229 nan 8.280 nan 0.000 0.524 475 V N -2.430 117.587 119.914 0.172 0.000 2.680 475 V HA 0.712 4.832 4.120 -0.000 0.000 0.309 475 V C -0.744 175.414 176.094 0.106 0.000 1.052 475 V CA -1.227 61.162 62.300 0.147 0.000 0.908 475 V CB 1.877 33.792 31.823 0.152 0.000 1.001 475 V HN -0.261 nan 8.190 nan 0.000 0.431 476 V N 5.136 125.115 119.914 0.107 0.000 2.547 476 V HA 0.640 4.760 4.120 -0.000 0.000 0.299 476 V C -0.161 175.989 176.094 0.093 0.000 1.040 476 V CA -0.499 61.855 62.300 0.089 0.000 0.913 476 V CB 1.772 33.648 31.823 0.089 0.000 0.992 476 V HN 1.092 nan 8.190 nan 0.000 0.449 477 I N 4.773 125.393 120.570 0.083 0.000 2.336 477 I HA 0.554 4.724 4.170 -0.000 0.000 0.292 477 I C -0.468 175.706 176.117 0.095 0.000 0.991 477 I CA 0.096 61.448 61.300 0.085 0.000 1.227 477 I CB 1.005 39.051 38.000 0.077 0.000 1.366 477 I HN 0.615 nan 8.210 nan 0.000 0.466 478 K N 5.960 126.420 120.400 0.100 0.000 2.292 478 K HA 0.318 4.638 4.320 -0.000 0.000 0.257 478 K C -1.878 174.819 176.600 0.161 0.000 0.940 478 K CA -0.818 55.536 56.287 0.111 0.000 0.811 478 K CB 1.135 33.682 32.500 0.078 0.000 1.120 478 K HN 0.711 nan 8.250 nan 0.000 0.428 479 Y N 6.088 126.402 120.300 0.023 0.000 2.353 479 Y HA 0.339 4.889 4.550 -0.000 0.000 0.340 479 Y C -1.487 174.422 175.900 0.015 0.000 0.972 479 Y CA -1.142 56.969 58.100 0.019 0.000 1.157 479 Y CB 0.496 38.967 38.460 0.018 0.000 1.157 479 Y HN 0.439 nan 8.280 nan 0.000 0.495 480 L N 7.201 128.440 121.223 0.027 0.000 2.282 480 L HA 0.389 4.728 4.340 -0.000 0.000 0.288 480 L C -0.434 176.314 176.870 -0.202 0.000 1.033 480 L CA -0.736 54.010 54.840 -0.157 0.000 0.807 480 L CB 1.275 43.315 42.059 -0.032 0.000 1.209 480 L HN 0.730 nan 8.230 nan 0.000 0.423 481 C N 5.301 124.362 119.300 -0.398 0.000 2.258 481 C HA 0.561 5.021 4.460 -0.000 0.000 0.321 481 C C 0.186 175.123 174.990 -0.089 0.000 1.168 481 C CA -0.482 58.416 59.018 -0.199 0.000 1.531 481 C CB -0.082 27.466 27.740 -0.320 0.000 2.095 481 C HN 0.569 nan 8.230 nan 0.000 0.449 482 V N 6.540 126.443 119.914 -0.018 0.000 2.406 482 V HA 0.545 4.665 4.120 -0.000 0.000 0.272 482 V C 0.925 177.018 176.094 -0.002 0.000 1.043 482 V CA -0.294 61.997 62.300 -0.015 0.000 0.915 482 V CB 0.980 32.803 31.823 -0.001 0.000 0.988 482 V HN 1.014 nan 8.190 nan 0.000 0.466 483 A N 4.819 127.633 122.820 -0.009 0.000 2.401 483 A HA 0.648 4.968 4.320 -0.000 0.000 0.259 483 A C -0.143 177.441 177.584 -0.000 0.000 1.103 483 A CA -0.036 51.999 52.037 -0.002 0.000 0.789 483 A CB 0.979 19.975 19.000 -0.007 0.000 1.035 483 A HN 0.899 nan 8.150 nan 0.000 0.491 484 V N 0.000 119.916 119.914 0.004 0.000 2.409 484 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 484 V CA 0.000 62.302 62.300 0.004 0.000 1.235 484 V CB 0.000 31.827 31.823 0.006 0.000 1.184 484 V HN 0.000 nan 8.190 nan 0.000 0.556