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 2eij_1_N DATA FIRST_RESID 2 DATA SEQUENCE FINRWLFSTN HKDIGTLYLL FGAWAGMVGT ALSLLIRAEL GQPGTLLGDD DATA SEQUENCE QIYNVVVTAH AFVMIFFMVM PIMIGGFGNW LVPLMIGAPD MAFPRMNNMS DATA SEQUENCE FWLLPPSFLL LLASSMVEAG AGTGWTVYPP LAGNLAHAGA SVDLTIFSLH DATA SEQUENCE LAGVSSILGA INFITTIINM KPPAMSQYQT PLFVWSVMIT AVLLLLSLPV DATA SEQUENCE LAAGITMLLT DRNLNTTFFD PAGGGDPILY QHLFWFFGHP EVYILILPGF DATA SEQUENCE GMISHIVTYY SGKKEPFGYM GMVWAMMSIG FLGFIVWAHH MFTVGMDVDT DATA SEQUENCE RAYFTSATMI IAIPTGVKVF SWLATLHGGN IKWSPAMMWA LGFIFLFTVG DATA SEQUENCE GLTGIVLANS SLDIVLHDTY YVVAHFHYVL SMGAVFAIMG GFVHWFPLFS DATA SEQUENCE GYTLNDTWAK IHFAIMFVGV NMTFFPQHFL GLSGMPRRYS DYPDAYTMWN DATA SEQUENCE TISSMGSFIS LTAVMLMVFI IWEAFASKRE VLTVDLTTTN LEWLNGCPPP DATA SEQUENCE YHTFEEPTYV NLK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 F HA 0.000 nan 4.527 nan 0.000 0.279 2 F C 0.000 175.833 175.800 0.056 0.000 0.967 2 F CA 0.000 58.063 58.000 0.106 0.000 1.383 2 F CB 0.000 39.060 39.000 0.100 0.000 1.145 3 I N 1.388 122.007 120.570 0.081 0.000 2.252 3 I HA -0.254 3.916 4.170 -0.000 0.000 0.245 3 I C 1.636 177.432 176.117 -0.535 0.000 1.102 3 I CA 1.836 63.001 61.300 -0.225 0.000 1.385 3 I CB -0.535 37.301 38.000 -0.275 0.000 1.064 3 I HN 0.273 nan 8.210 nan 0.000 0.414 4 N N 0.635 119.102 118.700 -0.388 0.000 2.104 4 N HA -0.196 4.544 4.740 -0.000 0.000 0.190 4 N C 1.909 177.274 175.510 -0.242 0.000 1.024 4 N CA 1.206 54.095 53.050 -0.268 0.000 0.853 4 N CB -0.245 38.183 38.487 -0.098 0.000 1.008 4 N HN 0.230 nan 8.380 nan 0.000 0.424 5 R N -1.144 119.131 120.500 -0.376 0.000 2.075 5 R HA -0.027 4.313 4.340 -0.000 0.000 0.226 5 R C 1.051 176.824 176.300 -0.878 0.000 1.114 5 R CA 1.153 56.865 56.100 -0.646 0.000 0.972 5 R CB -0.085 29.714 30.300 -0.835 0.000 0.869 5 R HN 0.308 nan 8.270 nan 0.000 0.437 6 W N -1.002 120.089 121.300 -0.347 0.000 3.107 6 W HA 0.175 4.835 4.660 -0.000 0.000 0.293 6 W C 1.084 177.614 176.519 0.018 0.000 1.239 6 W CA -0.544 56.632 57.345 -0.282 0.000 1.653 6 W CB 0.444 29.532 29.460 -0.621 0.000 1.068 6 W HN 0.074 nan 8.180 nan 0.000 0.615 7 L N -1.790 119.468 121.223 0.058 0.000 2.577 7 L HA 0.230 4.570 4.340 -0.000 0.000 0.225 7 L C 0.749 177.819 176.870 0.333 0.000 1.053 7 L CA 0.896 55.793 54.840 0.094 0.000 0.866 7 L CB -0.381 41.495 42.059 -0.304 0.000 1.132 7 L HN -0.178 nan 8.230 nan 0.000 0.486 8 F N -1.044 118.912 119.950 0.009 0.000 2.772 8 F HA 0.399 4.926 4.527 -0.000 0.000 0.302 8 F C 1.190 176.984 175.800 -0.011 0.000 1.136 8 F CA -1.130 56.866 58.000 -0.007 0.000 1.322 8 F CB -0.944 38.031 39.000 -0.042 0.000 0.967 8 F HN -0.198 nan 8.300 nan 0.000 0.513 9 S N 0.950 116.745 115.700 0.159 0.000 2.558 9 S HA 0.201 4.671 4.470 -0.000 0.000 0.288 9 S C 1.089 175.706 174.600 0.028 0.000 1.318 9 S CA 0.641 58.845 58.200 0.007 0.000 1.056 9 S CB 0.361 63.491 63.200 -0.118 0.000 0.853 9 S HN 0.484 nan 8.310 nan 0.000 0.505 10 T N 1.229 115.772 114.554 -0.019 0.000 3.460 10 T HA 0.305 4.655 4.350 -0.000 0.000 0.304 10 T C -0.272 174.375 174.700 -0.089 0.000 0.991 10 T CA -0.712 61.380 62.100 -0.015 0.000 0.975 10 T CB -0.459 68.424 68.868 0.026 0.000 1.196 10 T HN 0.533 nan 8.240 nan 0.000 0.490 11 N N 1.413 119.985 118.700 -0.213 0.000 2.372 11 N HA 0.164 4.904 4.740 -0.000 0.000 0.285 11 N C 1.002 176.267 175.510 -0.407 0.000 1.008 11 N CA -0.281 52.517 53.050 -0.419 0.000 0.880 11 N CB 1.557 39.535 38.487 -0.849 0.000 1.239 11 N HN 0.576 nan 8.380 nan 0.000 0.484 12 H N 3.277 122.100 119.070 -0.411 0.000 2.421 12 H HA -0.013 4.543 4.556 -0.000 0.000 0.298 12 H C 1.006 175.973 175.328 -0.602 0.000 1.087 12 H CA 1.435 57.247 56.048 -0.393 0.000 1.330 12 H CB 0.350 29.927 29.762 -0.307 0.000 1.388 12 H HN 0.493 nan 8.280 nan 0.000 0.526 13 K N 0.300 119.789 120.400 -1.518 0.000 2.007 13 K HA -0.092 4.228 4.320 -0.000 0.000 0.206 13 K C 1.714 177.560 176.600 -1.256 0.000 1.047 13 K CA 1.305 56.420 56.287 -1.954 0.000 0.937 13 K CB 0.032 31.348 32.500 -1.975 0.000 0.718 13 K HN 0.266 nan 8.250 nan 0.000 0.438 14 D N 1.221 121.139 120.400 -0.803 0.000 2.117 14 D HA -0.123 4.517 4.640 -0.000 0.000 0.197 14 D C 1.894 178.023 176.300 -0.284 0.000 0.987 14 D CA 1.040 54.787 54.000 -0.422 0.000 0.829 14 D CB -0.203 40.211 40.800 -0.643 0.000 0.961 14 D HN 0.139 nan 8.370 nan 0.000 0.460 15 I N 0.651 121.008 120.570 -0.355 0.000 2.286 15 I HA -0.150 4.020 4.170 -0.000 0.000 0.248 15 I C 2.468 178.506 176.117 -0.131 0.000 1.115 15 I CA 1.228 62.371 61.300 -0.261 0.000 1.392 15 I CB -0.340 37.580 38.000 -0.133 0.000 1.065 15 I HN 0.023 nan 8.210 nan 0.000 0.418 16 G N -0.049 108.629 108.800 -0.204 0.000 2.422 16 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.218 16 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.218 16 G C 1.655 176.589 174.900 0.056 0.000 1.146 16 G CA 1.294 46.361 45.100 -0.055 0.000 0.769 16 G HN 0.269 nan 8.290 nan 0.000 0.547 17 T N 1.359 115.909 114.554 -0.006 0.000 2.737 17 T HA -0.031 4.319 4.350 -0.000 0.000 0.265 17 T C 2.441 177.144 174.700 0.005 0.000 1.038 17 T CA 0.888 63.074 62.100 0.143 0.000 1.144 17 T CB -0.210 68.794 68.868 0.228 0.000 0.866 17 T HN 0.161 nan 8.240 nan 0.000 0.434 18 L N -0.522 120.580 121.223 -0.202 0.000 2.042 18 L HA -0.130 4.210 4.340 -0.000 0.000 0.210 18 L C 2.388 179.035 176.870 -0.371 0.000 1.076 18 L CA 1.528 56.031 54.840 -0.562 0.000 0.749 18 L CB -0.639 40.585 42.059 -1.391 0.000 0.893 18 L HN 0.254 nan 8.230 nan 0.000 0.432 19 Y N -0.058 120.097 120.300 -0.241 0.000 2.181 19 Y HA -0.235 4.315 4.550 -0.000 0.000 0.288 19 Y C 2.420 178.459 175.900 0.232 0.000 1.146 19 Y CA 1.353 59.548 58.100 0.158 0.000 1.164 19 Y CB -0.333 38.209 38.460 0.137 0.000 0.982 19 Y HN 0.046 nan 8.280 nan 0.000 0.515 20 L N -0.984 120.408 121.223 0.282 0.000 2.046 20 L HA -0.257 4.083 4.340 -0.000 0.000 0.208 20 L C 2.266 179.285 176.870 0.248 0.000 1.077 20 L CA 1.175 56.146 54.840 0.219 0.000 0.747 20 L CB -0.718 41.432 42.059 0.151 0.000 0.896 20 L HN 0.264 nan 8.230 nan 0.000 0.432 21 L N -1.268 120.087 121.223 0.220 0.000 2.017 21 L HA -0.258 4.082 4.340 -0.000 0.000 0.208 21 L C 2.562 179.607 176.870 0.292 0.000 1.073 21 L CA 1.423 56.387 54.840 0.206 0.000 0.745 21 L CB -0.537 41.585 42.059 0.105 0.000 0.894 21 L HN 0.157 nan 8.230 nan 0.000 0.432 22 F N 0.731 120.818 119.950 0.229 0.000 2.095 22 F HA -0.174 4.353 4.527 -0.000 0.000 0.298 22 F C 2.234 178.262 175.800 0.380 0.000 1.104 22 F CA 1.728 59.921 58.000 0.322 0.000 1.232 22 F CB -0.585 38.652 39.000 0.394 0.000 0.987 22 F HN -0.000 nan 8.300 nan 0.000 0.475 23 G N -0.370 108.742 108.800 0.520 0.000 2.422 23 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.218 23 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.218 23 G C 1.789 176.813 174.900 0.206 0.000 1.146 23 G CA 0.808 46.130 45.100 0.370 0.000 0.769 23 G HN 0.628 nan 8.290 nan 0.000 0.547 24 A N -0.050 122.880 122.820 0.183 0.000 1.877 24 A HA -0.066 4.254 4.320 -0.000 0.000 0.216 24 A C 2.166 179.823 177.584 0.121 0.000 1.186 24 A CA 1.604 53.704 52.037 0.105 0.000 0.620 24 A CB -0.786 18.268 19.000 0.090 0.000 0.822 24 A HN 0.524 nan 8.150 nan 0.000 0.443 25 W N 0.517 121.811 121.300 -0.011 0.000 2.358 25 W HA -0.134 4.526 4.660 -0.000 0.000 0.303 25 W C 2.547 179.060 176.519 -0.010 0.000 1.208 25 W CA 2.307 59.630 57.345 -0.036 0.000 1.274 25 W CB -0.203 29.205 29.460 -0.086 0.000 1.138 25 W HN 0.367 nan 8.180 nan 0.000 0.515 26 A N 0.308 123.232 122.820 0.173 0.000 1.933 26 A HA -0.080 4.240 4.320 -0.000 0.000 0.218 26 A C 2.218 179.842 177.584 0.067 0.000 1.175 26 A CA 1.996 54.138 52.037 0.175 0.000 0.628 26 A CB -1.679 17.394 19.000 0.123 0.000 0.814 26 A HN 0.403 nan 8.150 nan 0.000 0.444 27 G N -0.906 107.923 108.800 0.048 0.000 2.442 27 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.219 27 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.219 27 G C 1.452 176.340 174.900 -0.020 0.000 1.141 27 G CA 1.363 46.480 45.100 0.029 0.000 0.763 27 G HN 0.342 nan 8.290 nan 0.000 0.554 28 M N 0.490 120.025 119.600 -0.109 0.000 2.099 28 M HA 0.000 4.480 4.480 -0.000 0.000 0.262 28 M C 2.795 178.981 176.300 -0.190 0.000 1.067 28 M CA 0.686 55.880 55.300 -0.176 0.000 1.124 28 M CB -1.282 31.138 32.600 -0.300 0.000 1.353 28 M HN 0.117 nan 8.290 nan 0.000 0.410 29 V N 0.184 119.942 119.914 -0.260 0.000 2.343 29 V HA -0.180 3.940 4.120 -0.000 0.000 0.247 29 V C 2.625 178.733 176.094 0.025 0.000 1.051 29 V CA 2.048 64.251 62.300 -0.162 0.000 1.036 29 V CB -1.826 29.938 31.823 -0.098 0.000 0.654 29 V HN 0.563 nan 8.190 nan 0.000 0.451 30 G N -0.514 108.334 108.800 0.081 0.000 2.408 30 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.217 30 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.217 30 G C 1.685 176.711 174.900 0.209 0.000 1.150 30 G CA 1.447 46.650 45.100 0.171 0.000 0.776 30 G HN 0.476 nan 8.290 nan 0.000 0.542 31 T N 1.695 116.312 114.554 0.104 0.000 2.737 31 T HA 0.045 4.395 4.350 -0.000 0.000 0.265 31 T C 2.844 177.564 174.700 0.033 0.000 1.038 31 T CA 1.415 63.563 62.100 0.080 0.000 1.144 31 T CB -0.386 68.500 68.868 0.029 0.000 0.866 31 T HN 0.354 nan 8.240 nan 0.000 0.434 32 A N 1.360 124.179 122.820 -0.002 0.000 1.908 32 A HA -0.042 4.278 4.320 -0.000 0.000 0.218 32 A C 2.309 179.899 177.584 0.009 0.000 1.181 32 A CA 1.344 53.368 52.037 -0.021 0.000 0.627 32 A CB -0.952 18.018 19.000 -0.049 0.000 0.818 32 A HN 0.474 nan 8.150 nan 0.000 0.445 33 L N 0.358 121.610 121.223 0.049 0.000 2.046 33 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 33 L C 3.048 179.888 176.870 -0.051 0.000 1.077 33 L CA 1.651 56.523 54.840 0.054 0.000 0.747 33 L CB -0.480 41.675 42.059 0.161 0.000 0.896 33 L HN 0.634 nan 8.230 nan 0.000 0.432 34 S N -0.164 115.475 115.700 -0.102 0.000 2.402 34 S HA -0.133 4.337 4.470 -0.000 0.000 0.229 34 S C 1.939 176.485 174.600 -0.090 0.000 1.021 34 S CA 0.824 58.856 58.200 -0.281 0.000 0.974 34 S CB -0.585 62.517 63.200 -0.163 0.000 0.800 34 S HN 0.366 nan 8.310 nan 0.000 0.484 35 L N 0.453 121.664 121.223 -0.020 0.000 2.109 35 L HA 0.062 4.402 4.340 -0.000 0.000 0.207 35 L C 2.599 179.516 176.870 0.079 0.000 1.086 35 L CA 0.920 55.782 54.840 0.037 0.000 0.760 35 L CB -0.541 41.513 42.059 -0.010 0.000 0.910 35 L HN 0.301 nan 8.230 nan 0.000 0.437 36 L N -0.493 120.761 121.223 0.052 0.000 2.083 36 L HA -0.224 4.116 4.340 -0.000 0.000 0.209 36 L C 2.419 179.364 176.870 0.126 0.000 1.083 36 L CA 1.244 56.134 54.840 0.084 0.000 0.752 36 L CB -0.306 41.791 42.059 0.063 0.000 0.899 36 L HN 0.208 nan 8.230 nan 0.000 0.433 37 I N -0.807 119.808 120.570 0.076 0.000 2.142 37 I HA -0.263 3.907 4.170 -0.000 0.000 0.240 37 I C 2.649 178.898 176.117 0.220 0.000 1.078 37 I CA 1.167 62.566 61.300 0.164 0.000 1.343 37 I CB -0.323 37.680 38.000 0.004 0.000 1.046 37 I HN 0.198 nan 8.210 nan 0.000 0.405 38 R N 0.756 121.322 120.500 0.111 0.000 2.189 38 R HA -0.038 4.302 4.340 -0.000 0.000 0.223 38 R C 2.239 178.598 176.300 0.098 0.000 1.092 38 R CA 1.224 57.375 56.100 0.085 0.000 0.989 38 R CB -0.460 29.858 30.300 0.030 0.000 0.876 38 R HN 0.383 nan 8.270 nan 0.000 0.457 39 A N 1.178 124.077 122.820 0.130 0.000 1.898 39 A HA -0.185 4.135 4.320 -0.000 0.000 0.216 39 A C 2.074 179.714 177.584 0.093 0.000 1.181 39 A CA 1.468 53.571 52.037 0.111 0.000 0.620 39 A CB -0.268 18.816 19.000 0.141 0.000 0.819 39 A HN 0.224 nan 8.150 nan 0.000 0.442 40 E N 0.210 120.491 120.200 0.136 0.000 2.153 40 E HA -0.091 4.259 4.350 -0.000 0.000 0.194 40 E C 1.461 178.094 176.600 0.054 0.000 0.988 40 E CA 1.156 57.613 56.400 0.096 0.000 0.811 40 E CB -0.309 29.492 29.700 0.168 0.000 0.746 40 E HN 0.591 nan 8.360 nan 0.000 0.466 41 L N -0.958 120.336 121.223 0.119 0.000 2.607 41 L HA 0.315 4.655 4.340 -0.000 0.000 0.228 41 L C 2.066 179.048 176.870 0.186 0.000 1.123 41 L CA 0.272 55.231 54.840 0.199 0.000 0.890 41 L CB 0.112 42.282 42.059 0.184 0.000 1.103 41 L HN 0.214 nan 8.230 nan 0.000 0.468 42 G N 0.730 109.581 108.800 0.085 0.000 2.448 42 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.219 42 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.219 42 G C 0.580 175.510 174.900 0.049 0.000 1.127 42 G CA 0.451 45.568 45.100 0.029 0.000 0.766 42 G HN 0.539 nan 8.290 nan 0.000 0.552 43 Q N -1.062 118.783 119.800 0.075 0.000 2.435 43 Q HA 0.520 4.860 4.340 -0.000 0.000 0.282 43 Q C -3.315 172.688 176.000 0.006 0.000 1.020 43 Q CA -2.185 53.655 55.803 0.061 0.000 0.820 43 Q CB 1.659 30.396 28.738 -0.002 0.000 1.436 43 Q HN -0.125 nan 8.270 nan 0.000 0.395 44 P HA 0.340 nan 4.420 nan 0.000 0.267 44 P C 0.066 177.240 177.300 -0.209 0.000 1.200 44 P CA 1.582 64.525 63.100 -0.261 0.000 0.772 44 P CB 0.518 32.138 31.700 -0.133 0.000 0.855 45 G N 0.229 108.866 108.800 -0.272 0.000 2.466 45 G HA2 0.005 3.965 3.960 -0.000 0.000 0.316 45 G HA3 0.005 3.965 3.960 -0.000 0.000 0.316 45 G C -0.905 173.893 174.900 -0.171 0.000 1.270 45 G CA -0.345 44.648 45.100 -0.177 0.000 0.982 45 G HN 0.689 nan 8.290 nan 0.000 0.506 46 T N -0.560 113.924 114.554 -0.116 0.000 2.855 46 T HA 0.601 4.951 4.350 -0.000 0.000 0.281 46 T C 1.012 175.680 174.700 -0.053 0.000 1.007 46 T CA 0.463 62.506 62.100 -0.094 0.000 1.009 46 T CB 1.417 70.239 68.868 -0.076 0.000 0.983 46 T HN 1.508 nan 8.240 nan 0.000 0.455 47 L N 4.825 126.030 121.223 -0.030 0.000 2.453 47 L HA 0.496 4.837 4.340 -0.000 0.000 0.190 47 L C 1.819 178.701 176.870 0.020 0.000 1.093 47 L CA 0.998 55.839 54.840 0.002 0.000 0.834 47 L CB -0.434 41.640 42.059 0.025 0.000 1.090 47 L HN 0.729 nan 8.230 nan 0.000 0.489 48 L N 0.291 121.538 121.223 0.041 0.000 2.291 48 L HA 0.177 4.517 4.340 -0.000 0.000 0.214 48 L C 1.611 178.504 176.870 0.038 0.000 1.120 48 L CA 0.729 55.604 54.840 0.057 0.000 0.799 48 L CB -1.021 41.100 42.059 0.103 0.000 0.925 48 L HN 0.605 nan 8.230 nan 0.000 0.446 49 G N 0.428 109.238 108.800 0.016 0.000 2.203 49 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.263 49 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.263 49 G C -0.011 174.899 174.900 0.017 0.000 1.012 49 G CA 0.703 45.806 45.100 0.005 0.000 0.749 49 G HN 0.446 nan 8.290 nan 0.000 0.512 50 D N -0.530 119.893 120.400 0.039 0.000 2.323 50 D HA 0.321 4.961 4.640 -0.000 0.000 0.242 50 D C 0.592 176.947 176.300 0.090 0.000 1.347 50 D CA -0.548 53.484 54.000 0.053 0.000 0.988 50 D CB 0.551 41.387 40.800 0.059 0.000 1.314 50 D HN -0.063 nan 8.370 nan 0.000 0.564 51 D N 1.666 122.110 120.400 0.074 0.000 2.264 51 D HA -0.165 4.475 4.640 -0.000 0.000 0.208 51 D C 1.634 178.038 176.300 0.174 0.000 0.966 51 D CA 0.833 54.905 54.000 0.120 0.000 0.864 51 D CB 0.377 41.205 40.800 0.047 0.000 0.933 51 D HN 0.444 nan 8.370 nan 0.000 0.499 52 Q N 0.618 120.491 119.800 0.122 0.000 2.079 52 Q HA -0.047 4.293 4.340 -0.000 0.000 0.200 52 Q C 2.019 178.105 176.000 0.142 0.000 0.974 52 Q CA 1.016 56.895 55.803 0.126 0.000 0.840 52 Q CB -0.264 28.522 28.738 0.080 0.000 0.898 52 Q HN 0.289 nan 8.270 nan 0.000 0.430 53 I N -0.240 120.410 120.570 0.134 0.000 2.226 53 I HA -0.255 3.915 4.170 -0.000 0.000 0.245 53 I C 2.010 178.212 176.117 0.141 0.000 1.100 53 I CA 1.298 62.673 61.300 0.126 0.000 1.374 53 I CB -0.406 37.660 38.000 0.111 0.000 1.057 53 I HN 0.308 nan 8.210 nan 0.000 0.413 54 Y N 2.453 122.800 120.300 0.077 0.000 2.128 54 Y HA -0.310 4.240 4.550 -0.000 0.000 0.284 54 Y C 2.396 178.359 175.900 0.105 0.000 1.154 54 Y CA 1.894 60.046 58.100 0.086 0.000 1.149 54 Y CB -0.262 38.245 38.460 0.078 0.000 0.976 54 Y HN 0.184 nan 8.280 nan 0.000 0.505 55 N N -0.091 118.687 118.700 0.130 0.000 2.205 55 N HA -0.172 4.568 4.740 -0.000 0.000 0.186 55 N C 1.872 177.399 175.510 0.027 0.000 1.015 55 N CA 1.604 54.699 53.050 0.074 0.000 0.862 55 N CB -0.621 37.966 38.487 0.167 0.000 0.986 55 N HN 0.326 nan 8.380 nan 0.000 0.429 56 V N 0.314 120.267 119.914 0.065 0.000 2.427 56 V HA -0.112 4.008 4.120 -0.000 0.000 0.248 56 V C 2.316 178.445 176.094 0.059 0.000 1.051 56 V CA 0.937 63.291 62.300 0.089 0.000 1.048 56 V CB -0.343 31.549 31.823 0.115 0.000 0.666 56 V HN 0.067 nan 8.190 nan 0.000 0.456 57 V N -0.375 119.533 119.914 -0.011 0.000 2.358 57 V HA -0.189 3.931 4.120 -0.000 0.000 0.246 57 V C 2.422 178.492 176.094 -0.040 0.000 1.047 57 V CA 1.726 64.012 62.300 -0.024 0.000 1.035 57 V CB -0.264 31.511 31.823 -0.080 0.000 0.658 57 V HN 0.398 nan 8.190 nan 0.000 0.452 58 V N -0.018 119.791 119.914 -0.174 0.000 2.343 58 V HA -0.279 3.841 4.120 -0.000 0.000 0.247 58 V C 2.576 178.688 176.094 0.029 0.000 1.051 58 V CA 2.675 64.918 62.300 -0.095 0.000 1.036 58 V CB -1.016 30.703 31.823 -0.174 0.000 0.654 58 V HN 0.616 nan 8.190 nan 0.000 0.451 59 T N 0.446 115.005 114.554 0.008 0.000 2.708 59 T HA -0.166 4.184 4.350 -0.000 0.000 0.266 59 T C 2.062 176.776 174.700 0.024 0.000 1.037 59 T CA 1.715 63.804 62.100 -0.018 0.000 1.146 59 T CB -0.470 68.432 68.868 0.057 0.000 0.865 59 T HN 0.569 nan 8.240 nan 0.000 0.435 60 A N 1.185 124.114 122.820 0.181 0.000 1.933 60 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 60 A C 2.000 179.726 177.584 0.237 0.000 1.175 60 A CA 2.243 54.459 52.037 0.297 0.000 0.628 60 A CB -0.974 18.190 19.000 0.275 0.000 0.814 60 A HN 0.703 nan 8.150 nan 0.000 0.444 61 H N 0.414 119.529 119.070 0.075 0.000 2.289 61 H HA -0.079 4.477 4.556 -0.000 0.000 0.296 61 H C 2.104 177.426 175.328 -0.009 0.000 1.091 61 H CA 2.388 58.466 56.048 0.049 0.000 1.274 61 H CB -0.443 29.338 29.762 0.032 0.000 1.364 61 H HN 0.362 nan 8.280 nan 0.000 0.490 62 A N 0.059 122.687 122.820 -0.321 0.000 1.858 62 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 62 A C 2.281 179.617 177.584 -0.414 0.000 1.190 62 A CA 1.577 53.261 52.037 -0.589 0.000 0.617 62 A CB -1.165 17.419 19.000 -0.695 0.000 0.827 62 A HN 0.449 nan 8.150 nan 0.000 0.443 63 F N 0.064 119.989 119.950 -0.042 0.000 2.095 63 F HA -0.159 4.368 4.527 -0.000 0.000 0.298 63 F C 2.552 178.334 175.800 -0.030 0.000 1.104 63 F CA 1.239 59.299 58.000 0.101 0.000 1.232 63 F CB -1.035 38.056 39.000 0.151 0.000 0.987 63 F HN 0.023 nan 8.300 nan 0.000 0.475 64 V N -0.347 119.697 119.914 0.216 0.000 2.295 64 V HA -0.323 3.797 4.120 -0.000 0.000 0.246 64 V C 2.515 178.622 176.094 0.023 0.000 1.049 64 V CA 1.580 63.994 62.300 0.191 0.000 1.024 64 V CB -0.561 31.417 31.823 0.259 0.000 0.648 64 V HN 0.223 nan 8.190 nan 0.000 0.447 65 M N -0.950 118.580 119.600 -0.117 0.000 2.117 65 M HA -0.104 4.376 4.480 -0.000 0.000 0.262 65 M C 2.130 178.292 176.300 -0.231 0.000 1.065 65 M CA 1.928 57.121 55.300 -0.178 0.000 1.114 65 M CB -0.938 31.469 32.600 -0.323 0.000 1.361 65 M HN 0.294 nan 8.290 nan 0.000 0.408 66 I N -1.248 119.102 120.570 -0.366 0.000 2.206 66 I HA -0.233 3.937 4.170 -0.000 0.000 0.239 66 I C 2.018 177.811 176.117 -0.539 0.000 1.078 66 I CA 1.202 62.177 61.300 -0.541 0.000 1.367 66 I CB -0.351 37.133 38.000 -0.861 0.000 1.078 66 I HN 0.051 nan 8.210 nan 0.000 0.413 67 F N -0.438 119.330 119.950 -0.303 0.000 2.416 67 F HA -0.004 4.523 4.527 -0.000 0.000 0.296 67 F C 1.761 177.322 175.800 -0.397 0.000 1.099 67 F CA 0.877 58.615 58.000 -0.435 0.000 1.427 67 F CB -0.165 38.376 39.000 -0.764 0.000 1.079 67 F HN -0.053 nan 8.300 nan 0.000 0.536 68 F N -2.358 117.683 119.950 0.152 0.000 2.694 68 F HA 0.178 4.705 4.527 -0.000 0.000 0.292 68 F C 1.964 177.886 175.800 0.204 0.000 1.121 68 F CA 0.103 58.206 58.000 0.172 0.000 1.352 68 F CB -0.316 38.499 39.000 -0.309 0.000 1.107 68 F HN -0.111 nan 8.300 nan 0.000 0.597 69 M N -0.343 119.389 119.600 0.218 0.000 2.749 69 M HA 0.087 4.567 4.480 -0.000 0.000 0.240 69 M C 2.054 178.441 176.300 0.144 0.000 1.285 69 M CA 1.212 56.617 55.300 0.175 0.000 1.267 69 M CB -0.500 32.155 32.600 0.092 0.000 1.184 69 M HN -0.074 nan 8.290 nan 0.000 0.526 70 V N 1.661 121.599 119.914 0.040 0.000 2.261 70 V HA -0.310 3.810 4.120 -0.000 0.000 0.246 70 V C 2.590 178.713 176.094 0.048 0.000 1.047 70 V CA 2.048 64.362 62.300 0.023 0.000 1.015 70 V CB -0.814 30.965 31.823 -0.074 0.000 0.642 70 V HN 0.496 nan 8.190 nan 0.000 0.446 71 M N -0.492 119.112 119.600 0.006 0.000 2.086 71 M HA -0.103 4.377 4.480 -0.000 0.000 0.261 71 M C -0.018 176.346 176.300 0.106 0.000 1.067 71 M CA 2.233 57.548 55.300 0.025 0.000 1.116 71 M CB -1.605 30.989 32.600 -0.011 0.000 1.348 71 M HN 0.285 nan 8.290 nan 0.000 0.407 72 P HA -0.097 nan 4.420 nan 0.000 0.216 72 P C 1.402 178.857 177.300 0.259 0.000 1.153 72 P CA 1.297 64.606 63.100 0.348 0.000 0.848 72 P CB -0.097 31.980 31.700 0.629 0.000 0.787 73 I N -2.076 118.657 120.570 0.272 0.000 2.163 73 I HA -0.225 3.945 4.170 -0.000 0.000 0.240 73 I C 2.455 178.757 176.117 0.309 0.000 1.081 73 I CA 1.608 63.066 61.300 0.263 0.000 1.353 73 I CB -0.480 37.688 38.000 0.281 0.000 1.054 73 I HN -0.095 nan 8.210 nan 0.000 0.407 74 M N 0.049 119.822 119.600 0.288 0.000 2.077 74 M HA -0.172 4.308 4.480 -0.000 0.000 0.261 74 M C 2.294 178.716 176.300 0.203 0.000 1.070 74 M CA 2.106 57.595 55.300 0.315 0.000 1.125 74 M CB -0.202 32.497 32.600 0.165 0.000 1.339 74 M HN 0.161 nan 8.290 nan 0.000 0.409 75 I N -1.158 119.426 120.570 0.024 0.000 2.385 75 I HA -0.032 4.138 4.170 -0.000 0.000 0.244 75 I C 2.569 178.598 176.117 -0.147 0.000 1.089 75 I CA 1.140 62.355 61.300 -0.142 0.000 1.410 75 I CB -0.836 37.078 38.000 -0.143 0.000 1.117 75 I HN 0.300 nan 8.210 nan 0.000 0.429 76 G N 0.384 108.973 108.800 -0.353 0.000 2.394 76 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.215 76 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.215 76 G C 1.592 176.198 174.900 -0.490 0.000 1.165 76 G CA 0.833 45.279 45.100 -1.090 0.000 0.784 76 G HN 0.476 nan 8.290 nan 0.000 0.535 77 G N 0.414 109.145 108.800 -0.115 0.000 2.607 77 G HA2 0.049 4.009 3.960 -0.000 0.000 0.215 77 G HA3 0.049 4.009 3.960 -0.000 0.000 0.215 77 G C 1.530 176.418 174.900 -0.021 0.000 1.275 77 G CA 0.453 45.550 45.100 -0.005 0.000 0.842 77 G HN 0.282 nan 8.290 nan 0.000 0.555 78 F N 1.827 121.861 119.950 0.139 0.000 2.171 78 F HA 0.021 4.548 4.527 -0.000 0.000 0.300 78 F C 2.926 178.856 175.800 0.216 0.000 1.090 78 F CA 0.954 59.019 58.000 0.108 0.000 1.293 78 F CB -0.362 38.656 39.000 0.030 0.000 1.013 78 F HN 0.232 nan 8.300 nan 0.000 0.486 79 G N -0.131 108.896 108.800 0.378 0.000 2.433 79 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.216 79 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.216 79 G C 1.405 176.568 174.900 0.439 0.000 1.186 79 G CA 1.276 46.509 45.100 0.222 0.000 0.779 79 G HN 0.330 nan 8.290 nan 0.000 0.543 80 N N -0.699 118.243 118.700 0.405 0.000 2.120 80 N HA -0.112 4.628 4.740 -0.000 0.000 0.188 80 N C 1.886 177.533 175.510 0.229 0.000 1.024 80 N CA 1.167 54.373 53.050 0.260 0.000 0.852 80 N CB -0.185 38.355 38.487 0.088 0.000 1.003 80 N HN 0.579 nan 8.380 nan 0.000 0.424 81 W N 0.879 122.173 121.300 -0.010 0.000 2.378 81 W HA 0.007 4.667 4.660 -0.000 0.000 0.313 81 W C 1.696 178.234 176.519 0.032 0.000 1.197 81 W CA 0.718 57.979 57.345 -0.141 0.000 1.304 81 W CB -0.135 28.944 29.460 -0.635 0.000 1.148 81 W HN 0.034 nan 8.180 nan 0.000 0.494 82 L N -1.436 119.971 121.223 0.307 0.000 2.202 82 L HA -0.103 4.237 4.340 -0.000 0.000 0.205 82 L C 2.079 179.077 176.870 0.214 0.000 1.083 82 L CA 0.230 55.172 54.840 0.171 0.000 0.790 82 L CB -1.234 40.749 42.059 -0.126 0.000 0.942 82 L HN -0.196 nan 8.230 nan 0.000 0.452 83 V N 0.811 120.879 119.914 0.258 0.000 2.255 83 V HA -0.181 3.939 4.120 -0.000 0.000 0.247 83 V C -0.122 175.989 176.094 0.027 0.000 1.051 83 V CA 2.228 64.624 62.300 0.159 0.000 1.018 83 V CB -1.530 30.411 31.823 0.197 0.000 0.641 83 V HN 0.319 nan 8.190 nan 0.000 0.445 84 P HA -0.120 nan 4.420 nan 0.000 0.216 84 P C 1.916 179.118 177.300 -0.163 0.000 1.153 84 P CA 1.392 64.332 63.100 -0.267 0.000 0.848 84 P CB -0.062 31.194 31.700 -0.741 0.000 0.787 85 L N -1.877 119.368 121.223 0.036 0.000 2.046 85 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 85 L C 2.442 179.372 176.870 0.100 0.000 1.077 85 L CA 1.523 56.491 54.840 0.214 0.000 0.747 85 L CB -0.880 41.378 42.059 0.331 0.000 0.896 85 L HN -0.012 nan 8.230 nan 0.000 0.432 86 M N -0.125 119.535 119.600 0.100 0.000 2.460 86 M HA -0.093 4.387 4.480 -0.000 0.000 0.263 86 M C 1.754 178.066 176.300 0.021 0.000 1.071 86 M CA 1.412 56.789 55.300 0.127 0.000 1.096 86 M CB -0.097 32.634 32.600 0.219 0.000 1.408 86 M HN 0.375 nan 8.290 nan 0.000 0.463 87 I N -4.477 116.029 120.570 -0.107 0.000 4.081 87 I HA 0.479 4.649 4.170 -0.000 0.000 0.333 87 I C 0.914 176.824 176.117 -0.346 0.000 1.413 87 I CA 0.007 61.206 61.300 -0.168 0.000 1.110 87 I CB -0.007 37.904 38.000 -0.148 0.000 1.082 87 I HN 0.290 nan 8.210 nan 0.000 0.402 88 G N 2.014 110.425 108.800 -0.648 0.000 2.198 88 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.260 88 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.260 88 G C 0.341 174.675 174.900 -0.943 0.000 1.025 88 G CA 0.187 44.454 45.100 -1.388 0.000 0.769 88 G HN 0.944 nan 8.290 nan 0.000 0.507 89 A N 0.289 122.779 122.820 -0.549 0.000 2.316 89 A HA 0.803 5.123 4.320 -0.000 0.000 0.284 89 A C -0.032 177.461 177.584 -0.152 0.000 1.115 89 A CA -0.740 51.123 52.037 -0.292 0.000 0.812 89 A CB 0.970 19.813 19.000 -0.263 0.000 1.064 89 A HN 0.137 nan 8.150 nan 0.000 0.489 90 P HA -0.003 nan 4.420 nan 0.000 0.225 90 P C 0.072 177.355 177.300 -0.028 0.000 1.156 90 P CA 1.098 64.221 63.100 0.037 0.000 0.787 90 P CB 0.412 32.122 31.700 0.017 0.000 0.802 91 D N -2.756 117.542 120.400 -0.170 0.000 3.024 91 D HA 0.122 4.762 4.640 -0.000 0.000 0.354 91 D C -0.630 175.490 176.300 -0.300 0.000 1.431 91 D CA -0.494 53.359 54.000 -0.246 0.000 0.842 91 D CB 0.422 41.176 40.800 -0.077 0.000 1.437 91 D HN -0.327 nan 8.370 nan 0.000 0.507 92 M N 1.054 120.491 119.600 -0.272 0.000 2.202 92 M HA 0.329 4.809 4.480 -0.000 0.000 0.316 92 M C 1.317 177.415 176.300 -0.336 0.000 1.138 92 M CA 0.067 55.176 55.300 -0.319 0.000 1.151 92 M CB 0.484 32.892 32.600 -0.320 0.000 1.422 92 M HN 0.615 nan 8.290 nan 0.000 0.471 93 A N 1.503 124.025 122.820 -0.496 0.000 1.902 93 A HA -0.075 4.245 4.320 -0.000 0.000 0.217 93 A C 0.485 177.596 177.584 -0.789 0.000 1.181 93 A CA 1.622 53.204 52.037 -0.759 0.000 0.623 93 A CB -0.288 18.005 19.000 -1.178 0.000 0.818 93 A HN 0.585 nan 8.150 nan 0.000 0.443 94 F N -0.401 119.485 119.950 -0.107 0.000 2.449 94 F HA 0.339 4.866 4.527 -0.000 0.000 0.344 94 F C -1.767 173.985 175.800 -0.081 0.000 1.180 94 F CA -2.957 54.995 58.000 -0.080 0.000 1.209 94 F CB 0.957 39.914 39.000 -0.070 0.000 1.440 94 F HN 0.069 nan 8.300 nan 0.000 0.526 95 P HA -0.202 nan 4.420 nan 0.000 0.219 95 P C 1.681 179.002 177.300 0.035 0.000 1.146 95 P CA 1.347 64.448 63.100 0.000 0.000 0.808 95 P CB 0.460 32.150 31.700 -0.016 0.000 0.779 96 R N -0.554 119.984 120.500 0.063 0.000 2.080 96 R HA 0.113 4.453 4.340 -0.000 0.000 0.222 96 R C 2.541 178.883 176.300 0.069 0.000 1.107 96 R CA 0.698 56.832 56.100 0.056 0.000 0.980 96 R CB -0.660 29.661 30.300 0.035 0.000 0.879 96 R HN 0.022 nan 8.270 nan 0.000 0.439 97 M N 0.886 120.534 119.600 0.080 0.000 2.213 97 M HA -0.184 4.296 4.480 -0.000 0.000 0.263 97 M C 1.833 178.186 176.300 0.089 0.000 1.062 97 M CA 1.764 57.104 55.300 0.068 0.000 1.105 97 M CB -0.300 32.328 32.600 0.048 0.000 1.385 97 M HN 0.305 nan 8.290 nan 0.000 0.417 98 N N 0.103 118.854 118.700 0.086 0.000 2.149 98 N HA -0.251 4.489 4.740 -0.000 0.000 0.188 98 N C 1.467 177.055 175.510 0.130 0.000 1.019 98 N CA 1.551 54.645 53.050 0.074 0.000 0.857 98 N CB -0.129 38.359 38.487 0.002 0.000 0.997 98 N HN 0.396 nan 8.380 nan 0.000 0.426 99 N N 0.776 119.553 118.700 0.128 0.000 2.244 99 N HA -0.114 4.626 4.740 -0.000 0.000 0.183 99 N C 1.718 177.385 175.510 0.261 0.000 1.016 99 N CA 0.793 53.961 53.050 0.196 0.000 0.866 99 N CB -0.141 38.485 38.487 0.232 0.000 0.980 99 N HN 0.339 nan 8.380 nan 0.000 0.430 100 M N -0.723 118.993 119.600 0.192 0.000 2.254 100 M HA -0.020 4.460 4.480 -0.000 0.000 0.265 100 M C 1.639 178.005 176.300 0.110 0.000 1.066 100 M CA 0.953 56.356 55.300 0.171 0.000 1.123 100 M CB 0.052 32.714 32.600 0.103 0.000 1.388 100 M HN 0.015 nan 8.290 nan 0.000 0.425 101 S N 0.387 116.158 115.700 0.118 0.000 2.382 101 S HA -0.151 4.319 4.470 -0.000 0.000 0.228 101 S C 1.453 176.076 174.600 0.039 0.000 1.027 101 S CA 1.405 59.684 58.200 0.132 0.000 0.991 101 S CB -0.502 62.834 63.200 0.226 0.000 0.823 101 S HN 0.618 nan 8.310 nan 0.000 0.469 102 F N 0.848 120.692 119.950 -0.177 0.000 2.098 102 F HA -0.010 4.517 4.527 -0.000 0.000 0.294 102 F C 1.649 177.086 175.800 -0.605 0.000 1.107 102 F CA 1.001 58.563 58.000 -0.730 0.000 1.234 102 F CB -0.686 37.672 39.000 -1.070 0.000 1.002 102 F HN 0.207 nan 8.300 nan 0.000 0.472 103 W N 0.598 121.660 121.300 -0.397 0.000 2.538 103 W HA -0.089 4.571 4.660 -0.000 0.000 0.254 103 W C 1.979 178.305 176.519 -0.321 0.000 1.249 103 W CA 0.411 57.540 57.345 -0.360 0.000 1.253 103 W CB -0.388 29.038 29.460 -0.057 0.000 1.130 103 W HN 0.082 nan 8.180 nan 0.000 0.618 104 L N -0.456 120.694 121.223 -0.122 0.000 2.341 104 L HA -0.111 4.229 4.340 -0.000 0.000 0.214 104 L C 2.118 178.914 176.870 -0.123 0.000 1.115 104 L CA 0.527 55.331 54.840 -0.059 0.000 0.820 104 L CB -0.413 41.641 42.059 -0.009 0.000 0.944 104 L HN 0.066 nan 8.230 nan 0.000 0.452 105 L N -0.172 120.825 121.223 -0.376 0.000 2.027 105 L HA -0.119 4.221 4.340 -0.000 0.000 0.206 105 L C -0.202 176.540 176.870 -0.214 0.000 1.074 105 L CA 1.272 55.874 54.840 -0.396 0.000 0.745 105 L CB -1.783 39.712 42.059 -0.939 0.000 0.898 105 L HN 0.199 nan 8.230 nan 0.000 0.433 106 P HA -0.099 nan 4.420 nan 0.000 0.215 106 P C -1.337 176.029 177.300 0.110 0.000 1.157 106 P CA 1.520 64.692 63.100 0.120 0.000 0.868 106 P CB -0.925 30.851 31.700 0.126 0.000 0.788 107 P HA -0.132 nan 4.420 nan 0.000 0.216 107 P C 1.928 179.288 177.300 0.101 0.000 1.153 107 P CA 1.679 64.821 63.100 0.070 0.000 0.848 107 P CB -0.456 31.275 31.700 0.051 0.000 0.787 108 S N -1.746 114.025 115.700 0.120 0.000 2.370 108 S HA -0.184 4.286 4.470 -0.000 0.000 0.226 108 S C 1.799 176.538 174.600 0.231 0.000 1.033 108 S CA 1.082 59.405 58.200 0.205 0.000 1.011 108 S CB -1.094 62.285 63.200 0.299 0.000 0.852 108 S HN 0.056 nan 8.310 nan 0.000 0.457 109 F N 0.732 120.559 119.950 -0.205 0.000 2.146 109 F HA -0.056 4.471 4.527 -0.000 0.000 0.298 109 F C 2.053 177.783 175.800 -0.116 0.000 1.096 109 F CA 0.820 58.514 58.000 -0.509 0.000 1.275 109 F CB -0.102 38.557 39.000 -0.568 0.000 1.008 109 F HN 0.296 nan 8.300 nan 0.000 0.480 110 L N 0.826 122.138 121.223 0.149 0.000 2.042 110 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 110 L C 1.917 178.855 176.870 0.113 0.000 1.076 110 L CA 1.729 56.611 54.840 0.071 0.000 0.749 110 L CB -0.807 41.277 42.059 0.041 0.000 0.893 110 L HN 0.152 nan 8.230 nan 0.000 0.432 111 L N -1.297 120.010 121.223 0.141 0.000 2.093 111 L HA -0.211 4.129 4.340 -0.000 0.000 0.208 111 L C 2.498 179.468 176.870 0.167 0.000 1.085 111 L CA 1.256 56.183 54.840 0.145 0.000 0.755 111 L CB -0.473 41.679 42.059 0.155 0.000 0.904 111 L HN 0.370 nan 8.230 nan 0.000 0.435 112 L N -0.495 120.867 121.223 0.231 0.000 2.027 112 L HA -0.203 4.137 4.340 -0.000 0.000 0.206 112 L C 2.427 179.448 176.870 0.251 0.000 1.074 112 L CA 1.264 56.264 54.840 0.265 0.000 0.745 112 L CB -0.043 42.284 42.059 0.448 0.000 0.898 112 L HN 0.172 nan 8.230 nan 0.000 0.433 113 L N -0.463 120.905 121.223 0.240 0.000 2.083 113 L HA -0.175 4.165 4.340 -0.000 0.000 0.209 113 L C 2.787 179.729 176.870 0.119 0.000 1.083 113 L CA 1.003 55.939 54.840 0.159 0.000 0.752 113 L CB -0.794 41.304 42.059 0.065 0.000 0.899 113 L HN 0.346 nan 8.230 nan 0.000 0.433 114 A N 0.113 122.999 122.820 0.110 0.000 1.933 114 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 114 A C 2.544 180.190 177.584 0.103 0.000 1.175 114 A CA 1.920 54.013 52.037 0.093 0.000 0.628 114 A CB -0.678 18.374 19.000 0.087 0.000 0.814 114 A HN 0.511 nan 8.150 nan 0.000 0.444 115 S N 0.504 116.275 115.700 0.119 0.000 2.399 115 S HA -0.161 4.309 4.470 -0.000 0.000 0.231 115 S C 2.011 176.684 174.600 0.121 0.000 1.022 115 S CA 1.863 60.133 58.200 0.116 0.000 0.983 115 S CB -0.755 62.513 63.200 0.112 0.000 0.803 115 S HN 0.925 nan 8.310 nan 0.000 0.480 116 S N 0.503 116.281 115.700 0.130 0.000 2.496 116 S HA 0.205 4.675 4.470 -0.000 0.000 0.224 116 S C 1.853 176.513 174.600 0.100 0.000 0.996 116 S CA 0.294 58.569 58.200 0.125 0.000 0.927 116 S CB -0.333 62.951 63.200 0.140 0.000 0.774 116 S HN 0.354 nan 8.310 nan 0.000 0.524 117 M N 2.178 121.832 119.600 0.090 0.000 2.248 117 M HA 0.238 4.718 4.480 -0.000 0.000 0.265 117 M C 1.164 177.504 176.300 0.066 0.000 1.079 117 M CA 0.540 55.883 55.300 0.071 0.000 1.150 117 M CB -0.916 31.722 32.600 0.062 0.000 1.366 117 M HN 0.416 nan 8.290 nan 0.000 0.433 118 V N -0.589 119.368 119.914 0.072 0.000 2.834 118 V HA 0.298 4.418 4.120 -0.000 0.000 0.301 118 V C 0.850 176.985 176.094 0.068 0.000 1.066 118 V CA -0.994 61.345 62.300 0.066 0.000 1.052 118 V CB 0.916 32.779 31.823 0.068 0.000 1.021 118 V HN 0.582 nan 8.190 nan 0.000 0.480 119 E N 2.439 122.673 120.200 0.057 0.000 3.401 119 E HA -0.348 4.002 4.350 -0.000 0.000 0.352 119 E C 0.906 177.539 176.600 0.054 0.000 1.523 119 E CA 2.026 58.458 56.400 0.052 0.000 1.794 119 E CB -1.621 28.113 29.700 0.057 0.000 1.792 119 E HN 1.552 nan 8.360 nan 0.000 0.471 120 A N 1.565 124.419 122.820 0.057 0.000 2.574 120 A HA 0.512 4.832 4.320 -0.000 0.000 0.283 120 A C 0.869 178.513 177.584 0.101 0.000 1.270 120 A CA 1.412 53.486 52.037 0.061 0.000 0.945 120 A CB -0.129 18.887 19.000 0.028 0.000 1.127 120 A HN 1.343 nan 8.150 nan 0.000 0.522 121 G N -0.944 107.926 108.800 0.117 0.000 2.855 121 G HA2 0.278 4.238 3.960 -0.000 0.000 0.352 121 G HA3 0.278 4.238 3.960 -0.000 0.000 0.352 121 G C 0.129 175.154 174.900 0.208 0.000 1.415 121 G CA -0.284 44.904 45.100 0.146 0.000 0.871 121 G HN 1.782 nan 8.290 nan 0.000 0.543 122 A N 0.297 123.226 122.820 0.181 0.000 2.444 122 A HA 0.735 5.055 4.320 -0.000 0.000 0.332 122 A C 0.815 178.465 177.584 0.109 0.000 1.430 122 A CA 0.781 52.895 52.037 0.128 0.000 0.975 122 A CB 0.380 19.419 19.000 0.065 0.000 1.147 122 A HN 2.292 nan 8.150 nan 0.000 0.524 123 G N 1.588 110.518 108.800 0.217 0.000 3.727 123 G HA2 0.382 4.342 3.960 -0.000 0.000 0.301 123 G HA3 0.382 4.342 3.960 -0.000 0.000 0.301 123 G C 0.680 175.608 174.900 0.047 0.000 1.128 123 G CA 0.481 45.678 45.100 0.162 0.000 1.545 123 G HN 0.787 nan 8.290 nan 0.000 0.555 124 T N -2.367 112.134 114.554 -0.088 0.000 2.975 124 T HA 0.506 4.856 4.350 -0.000 0.000 0.257 124 T C 1.133 175.749 174.700 -0.141 0.000 1.003 124 T CA 0.502 62.502 62.100 -0.166 0.000 0.932 124 T CB 0.669 69.369 68.868 -0.280 0.000 1.087 124 T HN 1.639 nan 8.240 nan 0.000 0.512 125 G N 1.635 110.379 108.800 -0.094 0.000 2.692 125 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.686 125 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.686 125 G C 0.197 174.979 174.900 -0.198 0.000 1.243 125 G CA -0.254 44.774 45.100 -0.119 0.000 0.782 125 G HN 0.609 nan 8.290 nan 0.000 0.625 126 W N 0.764 121.776 121.300 -0.480 0.000 2.611 126 W HA -0.010 4.650 4.660 -0.000 0.000 0.251 126 W C 1.486 177.752 176.519 -0.422 0.000 1.265 126 W CA 1.897 58.773 57.345 -0.783 0.000 1.295 126 W CB -1.503 27.369 29.460 -0.981 0.000 1.129 126 W HN 1.026 nan 8.180 nan 0.000 0.630 127 T N -0.937 112.960 114.554 -1.095 0.000 3.055 127 T HA 0.004 4.354 4.350 -0.000 0.000 0.265 127 T C 1.244 175.364 174.700 -0.965 0.000 1.111 127 T CA 0.890 61.989 62.100 -1.668 0.000 1.118 127 T CB -0.851 67.070 68.868 -1.578 0.000 0.909 127 T HN 0.135 nan 8.240 nan 0.000 0.501 128 V N 0.714 120.324 119.914 -0.508 0.000 5.175 128 V HA -0.237 3.883 4.120 -0.000 0.000 0.279 128 V C 0.233 176.082 176.094 -0.407 0.000 0.571 128 V CA 0.383 62.497 62.300 -0.309 0.000 0.694 128 V CB -2.919 28.819 31.823 -0.142 0.000 0.525 128 V HN 0.708 nan 8.190 nan 0.000 1.093 129 Y N 1.838 121.839 120.300 -0.498 0.000 2.526 129 Y HA 0.243 4.793 4.550 -0.000 0.000 0.330 129 Y C -0.885 174.731 175.900 -0.473 0.000 1.156 129 Y CA -1.710 56.066 58.100 -0.539 0.000 1.419 129 Y CB 0.943 39.257 38.460 -0.242 0.000 1.250 129 Y HN 0.271 nan 8.280 nan 0.000 0.540 130 P HA 0.186 nan 4.420 nan 0.000 0.281 130 P C -2.461 174.793 177.300 -0.076 0.000 1.264 130 P CA -2.055 60.913 63.100 -0.220 0.000 0.824 130 P CB 1.450 33.005 31.700 -0.242 0.000 1.092 131 P HA 0.023 nan 4.420 nan 0.000 0.236 131 P C 1.586 178.908 177.300 0.038 0.000 1.177 131 P CA 0.143 63.259 63.100 0.026 0.000 0.773 131 P CB -0.101 31.630 31.700 0.052 0.000 0.878 132 L N 0.508 121.757 121.223 0.043 0.000 2.081 132 L HA -0.150 4.190 4.340 -0.000 0.000 0.212 132 L C 1.964 178.888 176.870 0.090 0.000 1.080 132 L CA 2.119 57.016 54.840 0.093 0.000 0.754 132 L CB -1.279 40.827 42.059 0.078 0.000 0.893 132 L HN -0.054 nan 8.230 nan 0.000 0.433 133 A N -0.976 121.803 122.820 -0.068 0.000 2.251 133 A HA 0.401 4.721 4.320 -0.000 0.000 0.209 133 A C 1.374 178.931 177.584 -0.045 0.000 1.187 133 A CA 0.362 52.309 52.037 -0.151 0.000 0.823 133 A CB -1.251 17.591 19.000 -0.264 0.000 0.846 133 A HN 0.477 nan 8.150 nan 0.000 0.486 134 G N 0.076 108.885 108.800 0.015 0.000 2.653 134 G HA2 0.251 4.211 3.960 -0.000 0.000 0.265 134 G HA3 0.251 4.211 3.960 -0.000 0.000 0.265 134 G C 0.599 175.543 174.900 0.074 0.000 1.237 134 G CA 0.140 45.267 45.100 0.044 0.000 0.946 134 G HN 0.470 nan 8.290 nan 0.000 0.522 135 N N -0.884 117.852 118.700 0.061 0.000 2.571 135 N HA -0.039 4.701 4.740 -0.000 0.000 0.189 135 N C 1.465 177.006 175.510 0.051 0.000 1.154 135 N CA 0.588 53.673 53.050 0.058 0.000 0.907 135 N CB 0.085 38.600 38.487 0.048 0.000 0.977 135 N HN 0.312 nan 8.380 nan 0.000 0.449 136 L N -0.667 120.587 121.223 0.051 0.000 2.349 136 L HA 0.483 4.823 4.340 -0.000 0.000 0.200 136 L C 2.040 178.928 176.870 0.030 0.000 1.064 136 L CA 0.880 55.742 54.840 0.036 0.000 0.821 136 L CB -0.684 41.395 42.059 0.035 0.000 1.027 136 L HN 0.112 nan 8.230 nan 0.000 0.476 137 A N -1.946 120.906 122.820 0.054 0.000 2.123 137 A HA 0.007 4.327 4.320 -0.000 0.000 0.214 137 A C 0.279 177.859 177.584 -0.007 0.000 1.152 137 A CA 0.790 52.856 52.037 0.048 0.000 0.728 137 A CB -0.622 18.442 19.000 0.107 0.000 0.814 137 A HN 0.625 nan 8.150 nan 0.000 0.464 138 H N -1.101 117.979 119.070 0.016 0.000 2.597 138 H HA 0.524 5.080 4.556 -0.000 0.000 0.225 138 H C 0.077 175.416 175.328 0.018 0.000 1.422 138 H CA -0.129 55.929 56.048 0.017 0.000 1.335 138 H CB 0.386 30.154 29.762 0.010 0.000 1.783 138 H HN 0.411 nan 8.280 nan 0.000 0.513 139 A N 0.925 123.770 122.820 0.041 0.000 2.425 139 A HA 0.607 4.926 4.320 -0.000 0.000 0.242 139 A C 1.010 178.624 177.584 0.049 0.000 1.077 139 A CA 0.748 52.811 52.037 0.043 0.000 0.781 139 A CB -0.124 18.889 19.000 0.020 0.000 1.020 139 A HN 0.877 nan 8.150 nan 0.000 0.494 140 G N -1.061 107.772 108.800 0.055 0.000 2.541 140 G HA2 0.373 4.333 3.960 -0.000 0.000 0.686 140 G HA3 0.373 4.333 3.960 -0.000 0.000 0.686 140 G C 0.617 175.561 174.900 0.073 0.000 1.286 140 G CA 0.100 45.235 45.100 0.059 0.000 0.894 140 G HN 1.972 nan 8.290 nan 0.000 0.575 141 A N -0.169 122.697 122.820 0.076 0.000 2.119 141 A HA 0.294 4.614 4.320 -0.000 0.000 0.217 141 A C 2.669 180.306 177.584 0.089 0.000 1.153 141 A CA 2.503 54.593 52.037 0.087 0.000 0.692 141 A CB -0.599 18.457 19.000 0.094 0.000 0.799 141 A HN 1.577 nan 8.150 nan 0.000 0.458 142 S N -0.160 115.597 115.700 0.096 0.000 2.369 142 S HA -0.199 4.271 4.470 -0.000 0.000 0.225 142 S C 1.859 176.499 174.600 0.068 0.000 1.043 142 S CA 1.800 60.061 58.200 0.102 0.000 1.074 142 S CB -0.618 62.666 63.200 0.140 0.000 0.962 142 S HN 0.385 nan 8.310 nan 0.000 0.433 143 V N 2.491 122.435 119.914 0.051 0.000 2.490 143 V HA -0.156 3.964 4.120 -0.000 0.000 0.250 143 V C 1.958 178.001 176.094 -0.085 0.000 1.061 143 V CA 1.645 63.927 62.300 -0.029 0.000 1.064 143 V CB -0.698 31.093 31.823 -0.052 0.000 0.670 143 V HN 0.421 nan 8.190 nan 0.000 0.461 144 D N 0.040 120.404 120.400 -0.060 0.000 2.144 144 D HA -0.084 4.556 4.640 -0.000 0.000 0.200 144 D C 2.118 178.343 176.300 -0.124 0.000 0.978 144 D CA 1.048 54.951 54.000 -0.161 0.000 0.833 144 D CB -0.007 40.766 40.800 -0.045 0.000 0.961 144 D HN 0.361 nan 8.370 nan 0.000 0.470 145 L N 0.631 121.894 121.223 0.066 0.000 2.156 145 L HA -0.104 4.236 4.340 -0.000 0.000 0.208 145 L C 2.515 179.420 176.870 0.060 0.000 1.095 145 L CA 0.922 55.863 54.840 0.168 0.000 0.770 145 L CB -0.428 41.722 42.059 0.151 0.000 0.914 145 L HN -0.031 nan 8.230 nan 0.000 0.439 146 T N 0.102 114.630 114.554 -0.044 0.000 2.746 146 T HA -0.132 4.218 4.350 -0.000 0.000 0.267 146 T C 1.923 176.453 174.700 -0.283 0.000 1.039 146 T CA 1.309 63.311 62.100 -0.162 0.000 1.142 146 T CB -0.164 68.617 68.868 -0.145 0.000 0.866 146 T HN 0.173 nan 8.240 nan 0.000 0.444 147 I N 0.267 120.651 120.570 -0.310 0.000 2.208 147 I HA -0.160 4.010 4.170 -0.000 0.000 0.245 147 I C 2.001 177.871 176.117 -0.412 0.000 1.097 147 I CA 1.356 62.389 61.300 -0.447 0.000 1.363 147 I CB -0.354 37.330 38.000 -0.527 0.000 1.051 147 I HN 0.157 nan 8.210 nan 0.000 0.413 148 F N 0.307 120.197 119.950 -0.099 0.000 2.171 148 F HA -0.208 4.319 4.527 -0.000 0.000 0.300 148 F C 2.923 178.709 175.800 -0.023 0.000 1.090 148 F CA 1.434 59.444 58.000 0.018 0.000 1.293 148 F CB -1.160 37.872 39.000 0.053 0.000 1.013 148 F HN 0.021 nan 8.300 nan 0.000 0.486 149 S N 0.197 115.951 115.700 0.091 0.000 2.356 149 S HA -0.158 4.312 4.470 -0.000 0.000 0.223 149 S C 2.187 176.725 174.600 -0.104 0.000 1.032 149 S CA 1.175 59.400 58.200 0.040 0.000 1.005 149 S CB -0.435 62.764 63.200 -0.001 0.000 0.867 149 S HN 0.336 nan 8.310 nan 0.000 0.449 150 L N 0.145 121.173 121.223 -0.324 0.000 2.083 150 L HA -0.095 4.245 4.340 -0.000 0.000 0.209 150 L C 2.436 179.145 176.870 -0.268 0.000 1.083 150 L CA 1.645 56.190 54.840 -0.491 0.000 0.752 150 L CB -0.679 41.011 42.059 -0.614 0.000 0.899 150 L HN 0.469 nan 8.230 nan 0.000 0.433 151 H N -0.492 118.510 119.070 -0.114 0.000 2.321 151 H HA -0.137 4.419 4.556 -0.000 0.000 0.300 151 H C 2.337 177.653 175.328 -0.019 0.000 1.087 151 H CA 1.153 57.177 56.048 -0.041 0.000 1.319 151 H CB 0.158 29.964 29.762 0.072 0.000 1.379 151 H HN 0.183 nan 8.280 nan 0.000 0.501 152 L N -0.048 121.262 121.223 0.146 0.000 2.046 152 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 152 L C 2.815 179.726 176.870 0.069 0.000 1.077 152 L CA 0.989 55.886 54.840 0.095 0.000 0.747 152 L CB -0.732 41.385 42.059 0.097 0.000 0.896 152 L HN 0.354 nan 8.230 nan 0.000 0.432 153 A N 0.527 123.371 122.820 0.040 0.000 1.933 153 A HA -0.097 4.223 4.320 -0.000 0.000 0.218 153 A C 2.409 180.024 177.584 0.051 0.000 1.175 153 A CA 1.661 53.725 52.037 0.046 0.000 0.628 153 A CB -1.062 17.883 19.000 -0.093 0.000 0.814 153 A HN 0.441 nan 8.150 nan 0.000 0.444 154 G N -0.511 108.288 108.800 -0.002 0.000 2.421 154 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.216 154 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.216 154 G C 1.513 176.447 174.900 0.056 0.000 1.171 154 G CA 1.234 46.344 45.100 0.017 0.000 0.775 154 G HN 0.308 nan 8.290 nan 0.000 0.543 155 V N 0.936 120.884 119.914 0.057 0.000 2.343 155 V HA -0.196 3.924 4.120 -0.000 0.000 0.247 155 V C 3.056 179.190 176.094 0.067 0.000 1.051 155 V CA 2.246 64.577 62.300 0.051 0.000 1.036 155 V CB -0.489 31.356 31.823 0.036 0.000 0.654 155 V HN 0.508 nan 8.190 nan 0.000 0.451 156 S N -0.330 115.416 115.700 0.076 0.000 2.359 156 S HA -0.243 4.227 4.470 -0.000 0.000 0.224 156 S C 2.220 176.900 174.600 0.134 0.000 1.035 156 S CA 2.353 60.612 58.200 0.098 0.000 1.018 156 S CB -0.346 62.910 63.200 0.092 0.000 0.876 156 S HN 0.587 nan 8.310 nan 0.000 0.448 157 S N 0.829 116.612 115.700 0.138 0.000 2.383 157 S HA 0.102 4.572 4.470 -0.000 0.000 0.227 157 S C 1.758 176.442 174.600 0.139 0.000 1.026 157 S CA 1.221 59.513 58.200 0.152 0.000 0.981 157 S CB -0.403 62.894 63.200 0.162 0.000 0.818 157 S HN 0.533 nan 8.310 nan 0.000 0.472 158 I N 1.381 122.020 120.570 0.114 0.000 2.179 158 I HA -0.174 3.996 4.170 -0.000 0.000 0.242 158 I C 1.972 178.147 176.117 0.098 0.000 1.088 158 I CA 1.099 62.459 61.300 0.101 0.000 1.357 158 I CB -0.287 37.757 38.000 0.074 0.000 1.051 158 I HN 0.241 nan 8.210 nan 0.000 0.409 159 L N 0.127 121.402 121.223 0.087 0.000 2.141 159 L HA -0.122 4.218 4.340 -0.000 0.000 0.209 159 L C 2.622 179.556 176.870 0.107 0.000 1.094 159 L CA 1.432 56.318 54.840 0.078 0.000 0.763 159 L CB -1.146 40.948 42.059 0.059 0.000 0.908 159 L HN 0.337 nan 8.230 nan 0.000 0.437 160 G N -0.363 108.518 108.800 0.135 0.000 2.408 160 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.217 160 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.217 160 G C 1.790 176.833 174.900 0.238 0.000 1.150 160 G CA 0.757 45.956 45.100 0.165 0.000 0.776 160 G HN 0.451 nan 8.290 nan 0.000 0.542 161 A N 0.842 123.791 122.820 0.215 0.000 1.902 161 A HA 0.060 4.380 4.320 -0.000 0.000 0.217 161 A C 2.383 180.074 177.584 0.179 0.000 1.181 161 A CA 1.206 53.369 52.037 0.211 0.000 0.623 161 A CB -0.358 18.735 19.000 0.154 0.000 0.818 161 A HN 0.362 nan 8.150 nan 0.000 0.443 162 I N -0.157 120.501 120.570 0.145 0.000 2.163 162 I HA -0.276 3.894 4.170 -0.000 0.000 0.243 162 I C 2.484 178.709 176.117 0.181 0.000 1.085 162 I CA 1.384 62.773 61.300 0.149 0.000 1.347 162 I CB -0.425 37.650 38.000 0.124 0.000 1.044 162 I HN 0.354 nan 8.210 nan 0.000 0.408 163 N N 0.933 119.723 118.700 0.149 0.000 2.084 163 N HA -0.177 4.563 4.740 -0.000 0.000 0.190 163 N C 1.907 177.320 175.510 -0.163 0.000 1.030 163 N CA 1.731 54.788 53.050 0.011 0.000 0.849 163 N CB -0.292 38.128 38.487 -0.111 0.000 1.012 163 N HN 0.226 nan 8.380 nan 0.000 0.423 164 F N 0.965 120.902 119.950 -0.021 0.000 2.134 164 F HA -0.028 4.499 4.527 -0.000 0.000 0.299 164 F C 2.326 178.073 175.800 -0.089 0.000 1.097 164 F CA 0.649 58.605 58.000 -0.074 0.000 1.264 164 F CB -0.187 38.770 39.000 -0.072 0.000 1.001 164 F HN 0.005 nan 8.300 nan 0.000 0.479 165 I N -0.615 120.037 120.570 0.135 0.000 2.226 165 I HA -0.290 3.880 4.170 -0.000 0.000 0.245 165 I C 2.268 178.377 176.117 -0.014 0.000 1.100 165 I CA 1.533 62.862 61.300 0.048 0.000 1.374 165 I CB -0.827 37.210 38.000 0.061 0.000 1.057 165 I HN 0.099 nan 8.210 nan 0.000 0.413 166 T N -0.034 114.508 114.554 -0.020 0.000 2.708 166 T HA -0.165 4.185 4.350 -0.000 0.000 0.266 166 T C 1.932 176.525 174.700 -0.178 0.000 1.037 166 T CA 2.065 64.112 62.100 -0.087 0.000 1.146 166 T CB -0.428 68.373 68.868 -0.111 0.000 0.865 166 T HN 0.368 nan 8.240 nan 0.000 0.435 167 T N 2.286 116.708 114.554 -0.219 0.000 2.684 167 T HA -0.011 4.339 4.350 -0.000 0.000 0.267 167 T C 1.991 176.591 174.700 -0.167 0.000 1.036 167 T CA 1.105 63.066 62.100 -0.232 0.000 1.148 167 T CB -0.465 68.257 68.868 -0.244 0.000 0.863 167 T HN 0.335 nan 8.240 nan 0.000 0.436 168 I N 0.511 121.008 120.570 -0.121 0.000 2.394 168 I HA -0.112 4.058 4.170 -0.000 0.000 0.251 168 I C 1.989 177.996 176.117 -0.184 0.000 1.136 168 I CA 0.760 61.970 61.300 -0.150 0.000 1.425 168 I CB -0.286 37.623 38.000 -0.150 0.000 1.079 168 I HN 0.193 nan 8.210 nan 0.000 0.425 169 I N 0.405 120.882 120.570 -0.154 0.000 2.400 169 I HA -0.153 4.017 4.170 -0.000 0.000 0.248 169 I C 2.063 178.101 176.117 -0.131 0.000 1.109 169 I CA 1.469 62.681 61.300 -0.146 0.000 1.425 169 I CB -1.316 36.622 38.000 -0.102 0.000 1.094 169 I HN 0.253 nan 8.210 nan 0.000 0.425 170 N N 0.134 118.756 118.700 -0.130 0.000 2.356 170 N HA 0.083 4.823 4.740 -0.000 0.000 0.178 170 N C 1.099 176.528 175.510 -0.135 0.000 1.075 170 N CA 0.459 53.436 53.050 -0.123 0.000 0.889 170 N CB 0.219 38.633 38.487 -0.122 0.000 0.999 170 N HN 0.155 nan 8.380 nan 0.000 0.464 171 M N 0.033 119.539 119.600 -0.157 0.000 2.685 171 M HA 0.223 4.703 4.480 -0.000 0.000 0.355 171 M C -0.470 175.734 176.300 -0.160 0.000 1.197 171 M CA -0.200 55.004 55.300 -0.160 0.000 0.947 171 M CB 0.730 33.217 32.600 -0.188 0.000 1.346 171 M HN -0.160 nan 8.290 nan 0.000 0.516 172 K N 1.017 121.328 120.400 -0.148 0.000 2.090 172 K HA 0.463 4.783 4.320 -0.000 0.000 0.250 172 K C -2.436 174.088 176.600 -0.126 0.000 1.004 172 K CA -1.685 54.516 56.287 -0.144 0.000 0.919 172 K CB 0.162 32.580 32.500 -0.136 0.000 1.045 172 K HN -0.137 nan 8.250 nan 0.000 0.471 173 P HA 0.020 nan 4.420 nan 0.000 0.269 173 P C -2.117 175.129 177.300 -0.091 0.000 1.209 173 P CA -0.969 62.070 63.100 -0.102 0.000 0.776 173 P CB 0.173 31.817 31.700 -0.094 0.000 0.876 174 P HA -0.241 nan 4.420 nan 0.000 0.217 174 P C 0.956 178.213 177.300 -0.072 0.000 1.148 174 P CA 1.891 64.945 63.100 -0.076 0.000 0.834 174 P CB -0.199 31.456 31.700 -0.075 0.000 0.783 175 A N -1.809 120.963 122.820 -0.080 0.000 2.132 175 A HA 0.077 4.397 4.320 -0.000 0.000 0.213 175 A C 1.281 178.837 177.584 -0.046 0.000 1.154 175 A CA 0.027 52.024 52.037 -0.067 0.000 0.753 175 A CB -0.857 18.091 19.000 -0.088 0.000 0.826 175 A HN 0.168 nan 8.150 nan 0.000 0.469 176 M N 2.291 121.859 119.600 -0.053 0.000 2.143 176 M HA 0.253 4.733 4.480 -0.000 0.000 0.348 176 M C 0.444 176.715 176.300 -0.048 0.000 1.375 176 M CA -0.220 55.056 55.300 -0.041 0.000 1.124 176 M CB 0.494 33.062 32.600 -0.053 0.000 1.669 176 M HN 0.426 nan 8.290 nan 0.000 0.469 177 S N 3.383 119.071 115.700 -0.019 0.000 2.655 177 S HA 0.154 4.624 4.470 -0.000 0.000 0.265 177 S C 0.624 175.165 174.600 -0.099 0.000 1.240 177 S CA -0.497 57.676 58.200 -0.045 0.000 0.986 177 S CB 1.328 64.546 63.200 0.030 0.000 0.985 177 S HN 0.825 nan 8.310 nan 0.000 0.562 178 Q N -0.522 119.124 119.800 -0.255 0.000 2.291 178 Q HA 0.042 4.382 4.340 -0.000 0.000 0.205 178 Q C 0.470 176.445 176.000 -0.042 0.000 0.970 178 Q CA 1.517 57.104 55.803 -0.360 0.000 0.876 178 Q CB -0.512 27.894 28.738 -0.553 0.000 0.935 178 Q HN 0.833 nan 8.270 nan 0.000 0.455 179 Y N -0.759 119.768 120.300 0.378 0.000 2.462 179 Y HA 0.172 4.722 4.550 -0.000 0.000 0.293 179 Y C 0.742 176.829 175.900 0.311 0.000 1.195 179 Y CA 0.252 58.666 58.100 0.523 0.000 1.276 179 Y CB 0.181 38.859 38.460 0.363 0.000 1.082 179 Y HN 0.123 nan 8.280 nan 0.000 0.514 180 Q N -0.587 119.381 119.800 0.279 0.000 2.118 180 Q HA 0.122 4.462 4.340 -0.000 0.000 0.219 180 Q C 0.289 176.371 176.000 0.136 0.000 0.794 180 Q CA -0.149 55.719 55.803 0.109 0.000 1.035 180 Q CB 0.884 29.653 28.738 0.051 0.000 1.177 180 Q HN 0.270 nan 8.270 nan 0.000 0.478 181 T N -2.061 112.642 114.554 0.249 0.000 2.907 181 T HA 0.591 4.941 4.350 -0.000 0.000 0.284 181 T C -2.575 172.389 174.700 0.440 0.000 1.004 181 T CA -2.268 59.945 62.100 0.189 0.000 1.063 181 T CB 1.472 70.300 68.868 -0.066 0.000 0.992 181 T HN -0.228 nan 8.240 nan 0.000 0.483 182 P HA 0.169 nan 4.420 nan 0.000 0.269 182 P C 1.077 178.788 177.300 0.686 0.000 1.215 182 P CA -0.461 62.966 63.100 0.544 0.000 0.780 182 P CB 0.426 32.470 31.700 0.573 0.000 0.898 183 L N 0.651 122.302 121.223 0.713 0.000 2.187 183 L HA -0.188 4.152 4.340 -0.000 0.000 0.213 183 L C 2.109 179.342 176.870 0.605 0.000 1.100 183 L CA 1.380 56.586 54.840 0.610 0.000 0.765 183 L CB -0.606 41.731 42.059 0.462 0.000 0.904 183 L HN 0.386 nan 8.230 nan 0.000 0.437 184 F N 0.190 120.462 119.950 0.536 0.000 2.186 184 F HA -0.152 4.375 4.527 -0.000 0.000 0.299 184 F C 2.211 178.092 175.800 0.136 0.000 1.090 184 F CA 1.254 59.355 58.000 0.169 0.000 1.307 184 F CB -0.281 38.571 39.000 -0.247 0.000 1.019 184 F HN -0.257 nan 8.300 nan 0.000 0.489 185 V N -0.909 119.080 119.914 0.125 0.000 2.343 185 V HA -0.328 3.792 4.120 -0.000 0.000 0.247 185 V C 2.132 178.170 176.094 -0.093 0.000 1.051 185 V CA 2.073 64.325 62.300 -0.081 0.000 1.036 185 V CB -1.088 30.732 31.823 -0.006 0.000 0.654 185 V HN 0.497 nan 8.190 nan 0.000 0.451 186 W N 0.835 122.139 121.300 0.007 0.000 2.358 186 W HA -0.240 4.420 4.660 -0.000 0.000 0.303 186 W C 3.036 179.522 176.519 -0.054 0.000 1.208 186 W CA 1.963 59.307 57.345 -0.001 0.000 1.274 186 W CB -0.426 29.058 29.460 0.041 0.000 1.138 186 W HN 0.374 nan 8.180 nan 0.000 0.515 187 S N -0.432 115.377 115.700 0.182 0.000 2.382 187 S HA -0.191 4.279 4.470 -0.000 0.000 0.228 187 S C 1.689 176.207 174.600 -0.136 0.000 1.027 187 S CA 1.627 59.860 58.200 0.055 0.000 0.991 187 S CB -1.016 62.241 63.200 0.095 0.000 0.823 187 S HN 0.066 nan 8.310 nan 0.000 0.469 188 V N 1.780 121.471 119.914 -0.372 0.000 2.379 188 V HA -0.072 4.048 4.120 -0.000 0.000 0.245 188 V C 2.614 178.546 176.094 -0.270 0.000 1.044 188 V CA 2.059 64.064 62.300 -0.491 0.000 1.036 188 V CB -0.726 30.614 31.823 -0.804 0.000 0.664 188 V HN 0.576 nan 8.190 nan 0.000 0.453 189 M N -0.370 119.138 119.600 -0.154 0.000 2.086 189 M HA -0.163 4.317 4.480 -0.000 0.000 0.261 189 M C 2.078 178.395 176.300 0.029 0.000 1.067 189 M CA 2.072 57.340 55.300 -0.055 0.000 1.116 189 M CB -0.216 32.334 32.600 -0.084 0.000 1.348 189 M HN 0.240 nan 8.290 nan 0.000 0.407 190 I N -0.552 120.071 120.570 0.089 0.000 2.226 190 I HA -0.283 3.887 4.170 -0.000 0.000 0.245 190 I C 2.132 178.299 176.117 0.084 0.000 1.100 190 I CA 1.491 62.868 61.300 0.129 0.000 1.374 190 I CB -0.767 37.335 38.000 0.171 0.000 1.057 190 I HN 0.337 nan 8.210 nan 0.000 0.413 191 T N 0.796 115.362 114.554 0.019 0.000 2.746 191 T HA -0.169 4.181 4.350 -0.000 0.000 0.267 191 T C 2.070 176.780 174.700 0.017 0.000 1.039 191 T CA 1.525 63.620 62.100 -0.009 0.000 1.142 191 T CB -0.296 68.516 68.868 -0.094 0.000 0.866 191 T HN 0.491 nan 8.240 nan 0.000 0.444 192 A N 0.849 123.672 122.820 0.005 0.000 1.902 192 A HA -0.044 4.276 4.320 -0.000 0.000 0.217 192 A C 2.574 180.220 177.584 0.104 0.000 1.181 192 A CA 1.307 53.382 52.037 0.063 0.000 0.623 192 A CB -0.955 18.096 19.000 0.084 0.000 0.818 192 A HN 0.363 nan 8.150 nan 0.000 0.443 193 V N 0.453 120.432 119.914 0.108 0.000 2.343 193 V HA -0.239 3.881 4.120 -0.000 0.000 0.247 193 V C 2.539 178.751 176.094 0.197 0.000 1.051 193 V CA 1.792 64.172 62.300 0.134 0.000 1.036 193 V CB -0.727 31.175 31.823 0.131 0.000 0.654 193 V HN 0.562 nan 8.190 nan 0.000 0.451 194 L N -0.829 120.526 121.223 0.221 0.000 2.083 194 L HA -0.182 4.158 4.340 -0.000 0.000 0.209 194 L C 2.440 179.455 176.870 0.242 0.000 1.083 194 L CA 1.581 56.602 54.840 0.302 0.000 0.752 194 L CB -0.695 41.437 42.059 0.121 0.000 0.899 194 L HN 0.327 nan 8.230 nan 0.000 0.433 195 L N -0.486 120.835 121.223 0.162 0.000 2.017 195 L HA -0.243 4.097 4.340 -0.000 0.000 0.208 195 L C 2.610 179.591 176.870 0.184 0.000 1.073 195 L CA 0.879 55.820 54.840 0.167 0.000 0.745 195 L CB -0.425 41.715 42.059 0.135 0.000 0.894 195 L HN 0.205 nan 8.230 nan 0.000 0.432 196 L N -0.468 120.853 121.223 0.163 0.000 2.079 196 L HA -0.225 4.114 4.340 -0.000 0.000 0.210 196 L C 2.220 179.180 176.870 0.149 0.000 1.081 196 L CA 1.760 56.683 54.840 0.138 0.000 0.752 196 L CB -0.181 41.946 42.059 0.113 0.000 0.896 196 L HN 0.140 nan 8.230 nan 0.000 0.433 197 L N -1.753 119.590 121.223 0.199 0.000 2.202 197 L HA -0.034 4.306 4.340 -0.000 0.000 0.205 197 L C 2.553 179.625 176.870 0.337 0.000 1.083 197 L CA 1.005 55.972 54.840 0.211 0.000 0.790 197 L CB -0.588 41.532 42.059 0.101 0.000 0.942 197 L HN 0.414 nan 8.230 nan 0.000 0.452 198 S N -0.080 115.859 115.700 0.398 0.000 2.388 198 S HA -0.049 4.421 4.470 -0.000 0.000 0.223 198 S C 1.978 176.791 174.600 0.355 0.000 1.034 198 S CA 0.307 58.736 58.200 0.382 0.000 0.963 198 S CB -0.622 62.702 63.200 0.207 0.000 0.827 198 S HN 0.259 nan 8.310 nan 0.000 0.481 199 L N 1.831 123.223 121.223 0.282 0.000 2.079 199 L HA -0.019 4.321 4.340 -0.000 0.000 0.210 199 L C -0.727 176.143 176.870 0.000 0.000 1.081 199 L CA 1.338 56.229 54.840 0.085 0.000 0.752 199 L CB -1.447 40.663 42.059 0.085 0.000 0.896 199 L HN 0.297 nan 8.230 nan 0.000 0.433 200 P HA -0.118 nan 4.420 nan 0.000 0.218 200 P C 1.816 179.122 177.300 0.010 0.000 1.149 200 P CA 1.005 64.124 63.100 0.032 0.000 0.817 200 P CB 0.120 31.850 31.700 0.051 0.000 0.785 201 V N -0.566 119.378 119.914 0.050 0.000 2.453 201 V HA -0.181 3.939 4.120 -0.000 0.000 0.247 201 V C 2.321 178.374 176.094 -0.068 0.000 1.048 201 V CA 1.295 63.607 62.300 0.019 0.000 1.049 201 V CB -1.185 30.724 31.823 0.145 0.000 0.672 201 V HN 0.063 nan 8.190 nan 0.000 0.457 202 L N 1.238 122.373 121.223 -0.145 0.000 2.017 202 L HA -0.080 4.260 4.340 -0.000 0.000 0.208 202 L C 2.481 179.206 176.870 -0.242 0.000 1.073 202 L CA 2.388 57.014 54.840 -0.357 0.000 0.745 202 L CB -0.918 40.614 42.059 -0.879 0.000 0.894 202 L HN 0.203 nan 8.230 nan 0.000 0.432 203 A N -0.360 122.366 122.820 -0.156 0.000 1.908 203 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 203 A C 2.462 180.055 177.584 0.015 0.000 1.181 203 A CA 2.030 54.056 52.037 -0.019 0.000 0.627 203 A CB -1.248 17.784 19.000 0.053 0.000 0.818 203 A HN 0.623 nan 8.150 nan 0.000 0.445 204 A N -0.497 122.302 122.820 -0.035 0.000 1.858 204 A HA 0.111 4.431 4.320 -0.000 0.000 0.216 204 A C 2.479 180.025 177.584 -0.064 0.000 1.190 204 A CA 2.035 54.039 52.037 -0.055 0.000 0.617 204 A CB -1.517 17.436 19.000 -0.078 0.000 0.827 204 A HN 0.780 nan 8.150 nan 0.000 0.443 205 G N 0.689 109.448 108.800 -0.067 0.000 2.440 205 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.218 205 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.218 205 G C 1.509 176.475 174.900 0.110 0.000 1.154 205 G CA 1.318 46.413 45.100 -0.009 0.000 0.767 205 G HN 0.871 nan 8.290 nan 0.000 0.552 206 I N -1.882 118.699 120.570 0.018 0.000 2.761 206 I HA 0.050 4.220 4.170 -0.000 0.000 0.261 206 I C 2.251 178.368 176.117 -0.001 0.000 1.198 206 I CA 1.405 62.711 61.300 0.010 0.000 1.482 206 I CB -0.532 37.348 38.000 -0.199 0.000 1.100 206 I HN -0.081 nan 8.210 nan 0.000 0.445 207 T N 1.477 116.062 114.554 0.052 0.000 2.857 207 T HA 0.049 4.399 4.350 -0.000 0.000 0.266 207 T C 1.915 176.637 174.700 0.036 0.000 1.048 207 T CA 1.539 63.697 62.100 0.097 0.000 1.139 207 T CB -0.158 68.773 68.868 0.105 0.000 0.874 207 T HN 0.319 nan 8.240 nan 0.000 0.455 208 M N 0.397 119.976 119.600 -0.035 0.000 2.229 208 M HA 0.021 4.501 4.480 -0.000 0.000 0.264 208 M C 2.183 178.598 176.300 0.193 0.000 1.063 208 M CA 1.073 56.268 55.300 -0.176 0.000 1.114 208 M CB -0.370 31.825 32.600 -0.675 0.000 1.387 208 M HN 0.161 nan 8.290 nan 0.000 0.420 209 L N 0.434 121.872 121.223 0.360 0.000 2.093 209 L HA -0.114 4.226 4.340 -0.000 0.000 0.208 209 L C 2.108 179.055 176.870 0.129 0.000 1.085 209 L CA 1.462 56.494 54.840 0.321 0.000 0.755 209 L CB -0.620 41.529 42.059 0.150 0.000 0.904 209 L HN 0.194 nan 8.230 nan 0.000 0.435 210 L N -0.650 120.607 121.223 0.056 0.000 2.017 210 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 210 L C 2.588 179.493 176.870 0.059 0.000 1.073 210 L CA 2.495 57.332 54.840 -0.004 0.000 0.745 210 L CB -0.953 41.079 42.059 -0.045 0.000 0.894 210 L HN 0.598 nan 8.230 nan 0.000 0.432 211 T N -4.672 109.948 114.554 0.109 0.000 2.904 211 T HA -0.137 4.213 4.350 -0.000 0.000 0.267 211 T C 1.641 176.416 174.700 0.125 0.000 1.059 211 T CA 1.197 63.377 62.100 0.133 0.000 1.137 211 T CB -0.611 68.377 68.868 0.200 0.000 0.879 211 T HN 0.267 nan 8.240 nan 0.000 0.467 212 D N 1.252 121.746 120.400 0.156 0.000 2.178 212 D HA 0.033 4.673 4.640 -0.000 0.000 0.201 212 D C 2.433 178.782 176.300 0.082 0.000 0.980 212 D CA 0.787 54.858 54.000 0.118 0.000 0.842 212 D CB -0.135 40.769 40.800 0.173 0.000 0.948 212 D HN 0.444 nan 8.370 nan 0.000 0.472 213 R N -0.360 120.186 120.500 0.077 0.000 2.161 213 R HA 0.169 4.509 4.340 -0.000 0.000 0.213 213 R C 1.082 177.411 176.300 0.048 0.000 1.055 213 R CA 0.658 56.790 56.100 0.053 0.000 0.996 213 R CB 0.250 30.570 30.300 0.033 0.000 0.901 213 R HN 0.157 nan 8.270 nan 0.000 0.456 214 N N -0.824 117.908 118.700 0.054 0.000 2.211 214 N HA 0.112 4.852 4.740 -0.000 0.000 0.216 214 N C 0.706 176.247 175.510 0.051 0.000 1.240 214 N CA 0.252 53.335 53.050 0.054 0.000 0.895 214 N CB 1.165 39.692 38.487 0.067 0.000 1.102 214 N HN 0.092 nan 8.380 nan 0.000 0.498 215 L N 0.816 122.070 121.223 0.051 0.000 2.959 215 L HA 0.286 4.626 4.340 -0.000 0.000 0.259 215 L C -0.134 176.747 176.870 0.017 0.000 1.185 215 L CA -0.011 54.853 54.840 0.040 0.000 0.998 215 L CB 0.051 42.142 42.059 0.053 0.000 1.337 215 L HN -0.045 nan 8.230 nan 0.000 0.555 216 N N 0.651 119.359 118.700 0.014 0.000 2.741 216 N HA -0.136 4.604 4.740 -0.000 0.000 0.250 216 N C 0.510 175.991 175.510 -0.049 0.000 1.115 216 N CA 1.322 54.366 53.050 -0.010 0.000 0.724 216 N CB -1.309 37.170 38.487 -0.012 0.000 1.090 216 N HN 0.541 nan 8.380 nan 0.000 0.558 217 T N -2.447 112.074 114.554 -0.054 0.000 2.788 217 T HA 0.500 4.850 4.350 -0.000 0.000 0.287 217 T C 1.191 175.782 174.700 -0.181 0.000 1.007 217 T CA 0.308 62.300 62.100 -0.179 0.000 1.005 217 T CB 1.627 70.385 68.868 -0.184 0.000 1.012 217 T HN 0.248 nan 8.240 nan 0.000 0.530 218 T N -1.736 112.614 114.554 -0.340 0.000 3.633 218 T HA 0.320 4.670 4.350 -0.000 0.000 0.278 218 T C 0.650 175.181 174.700 -0.282 0.000 0.991 218 T CA -0.671 61.297 62.100 -0.219 0.000 1.036 218 T CB -0.953 67.828 68.868 -0.146 0.000 1.148 218 T HN 0.465 nan 8.240 nan 0.000 0.501 219 F N 0.848 120.584 119.950 -0.356 0.000 2.154 219 F HA 0.068 4.595 4.527 -0.000 0.000 0.301 219 F C 1.231 176.670 175.800 -0.601 0.000 1.087 219 F CA 1.267 58.895 58.000 -0.619 0.000 1.274 219 F CB -0.325 37.999 39.000 -1.126 0.000 1.009 219 F HN 0.363 nan 8.300 nan 0.000 0.485 220 F N -1.673 118.408 119.950 0.218 0.000 2.683 220 F HA 0.222 4.749 4.527 -0.000 0.000 0.306 220 F C 0.061 175.903 175.800 0.071 0.000 1.102 220 F CA -0.901 57.178 58.000 0.132 0.000 1.244 220 F CB -0.215 38.851 39.000 0.109 0.000 1.029 220 F HN -0.280 nan 8.300 nan 0.000 0.545 221 D N 1.582 122.059 120.400 0.128 0.000 2.373 221 D HA 0.262 4.902 4.640 -0.000 0.000 0.227 221 D C -1.992 174.337 176.300 0.048 0.000 1.091 221 D CA -2.497 51.551 54.000 0.080 0.000 0.840 221 D CB 2.004 42.828 40.800 0.041 0.000 1.060 221 D HN -0.097 nan 8.370 nan 0.000 0.502 222 P HA -0.135 nan 4.420 nan 0.000 0.217 222 P C 1.021 178.335 177.300 0.023 0.000 1.148 222 P CA 1.330 64.457 63.100 0.045 0.000 0.828 222 P CB 0.246 31.976 31.700 0.051 0.000 0.783 223 A N -0.388 122.443 122.820 0.019 0.000 2.024 223 A HA -0.083 4.237 4.320 -0.000 0.000 0.220 223 A C 2.210 179.789 177.584 -0.008 0.000 1.164 223 A CA 1.986 54.027 52.037 0.007 0.000 0.643 223 A CB -1.591 17.414 19.000 0.008 0.000 0.806 223 A HN 0.332 nan 8.150 nan 0.000 0.451 224 G N -2.756 106.032 108.800 -0.021 0.000 3.233 224 G HA2 0.408 4.368 3.960 -0.000 0.000 0.234 224 G HA3 0.408 4.368 3.960 -0.000 0.000 0.234 224 G C 1.005 175.875 174.900 -0.050 0.000 1.137 224 G CA 0.478 45.550 45.100 -0.047 0.000 0.763 224 G HN 1.598 nan 8.290 nan 0.000 0.549 225 G N -1.074 107.713 108.800 -0.022 0.000 2.157 225 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.239 225 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.239 225 G C 0.790 175.690 174.900 -0.001 0.000 0.982 225 G CA 0.178 45.272 45.100 -0.011 0.000 0.650 225 G HN 0.973 nan 8.290 nan 0.000 0.527 226 G N -0.826 107.972 108.800 -0.002 0.000 2.588 226 G HA2 0.504 4.464 3.960 -0.000 0.000 0.278 226 G HA3 0.504 4.464 3.960 -0.000 0.000 0.278 226 G C -0.711 174.251 174.900 0.104 0.000 1.307 226 G CA 0.574 45.692 45.100 0.031 0.000 1.016 226 G HN 0.503 nan 8.290 nan 0.000 0.503 227 D N -1.441 119.074 120.400 0.191 0.000 2.764 227 D HA 0.340 4.980 4.640 -0.000 0.000 0.227 227 D C -2.056 174.431 176.300 0.313 0.000 1.347 227 D CA -1.612 52.515 54.000 0.213 0.000 0.953 227 D CB 2.177 43.090 40.800 0.188 0.000 1.476 227 D HN -0.051 nan 8.370 nan 0.000 0.585 228 P HA -0.067 nan 4.420 nan 0.000 0.218 228 P C 1.602 178.913 177.300 0.017 0.000 1.148 228 P CA 0.459 63.628 63.100 0.114 0.000 0.822 228 P CB 0.313 32.036 31.700 0.037 0.000 0.784 229 I N -1.247 119.352 120.570 0.048 0.000 2.454 229 I HA -0.161 4.009 4.170 -0.000 0.000 0.254 229 I C 2.092 178.248 176.117 0.066 0.000 1.156 229 I CA 1.071 62.365 61.300 -0.011 0.000 1.433 229 I CB -1.540 36.482 38.000 0.036 0.000 1.082 229 I HN 0.020 nan 8.210 nan 0.000 0.432 230 L N 0.585 121.951 121.223 0.239 0.000 2.046 230 L HA -0.252 4.088 4.340 -0.000 0.000 0.208 230 L C 2.587 179.585 176.870 0.214 0.000 1.077 230 L CA 1.806 56.851 54.840 0.343 0.000 0.747 230 L CB -1.186 41.152 42.059 0.465 0.000 0.896 230 L HN 0.255 nan 8.230 nan 0.000 0.432 231 Y N 0.181 120.379 120.300 -0.170 0.000 2.181 231 Y HA -0.291 4.259 4.550 -0.000 0.000 0.288 231 Y C 2.546 178.261 175.900 -0.307 0.000 1.146 231 Y CA 2.194 59.919 58.100 -0.626 0.000 1.164 231 Y CB -0.220 37.444 38.460 -1.327 0.000 0.982 231 Y HN 0.388 nan 8.280 nan 0.000 0.515 232 Q N -1.006 118.635 119.800 -0.266 0.000 2.096 232 Q HA -0.249 4.091 4.340 -0.000 0.000 0.204 232 Q C 2.066 178.078 176.000 0.020 0.000 0.982 232 Q CA 1.595 57.265 55.803 -0.221 0.000 0.850 232 Q CB -0.400 28.146 28.738 -0.320 0.000 0.901 232 Q HN 0.626 nan 8.270 nan 0.000 0.422 233 H N 0.603 119.742 119.070 0.116 0.000 2.321 233 H HA -0.080 4.476 4.556 -0.000 0.000 0.300 233 H C 2.242 177.553 175.328 -0.029 0.000 1.087 233 H CA 1.197 57.363 56.048 0.197 0.000 1.319 233 H CB -0.203 29.679 29.762 0.200 0.000 1.379 233 H HN 0.211 nan 8.280 nan 0.000 0.501 234 L N -0.587 120.633 121.223 -0.005 0.000 2.046 234 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 234 L C 2.535 179.285 176.870 -0.200 0.000 1.077 234 L CA 1.013 55.771 54.840 -0.136 0.000 0.747 234 L CB -0.534 41.426 42.059 -0.165 0.000 0.896 234 L HN 0.099 nan 8.230 nan 0.000 0.432 235 F N -0.116 119.524 119.950 -0.516 0.000 2.075 235 F HA -0.225 4.302 4.527 -0.000 0.000 0.297 235 F C 2.050 177.623 175.800 -0.379 0.000 1.113 235 F CA 1.528 59.170 58.000 -0.597 0.000 1.218 235 F CB -0.438 37.997 39.000 -0.941 0.000 0.984 235 F HN -0.043 nan 8.300 nan 0.000 0.472 236 W N -1.105 120.218 121.300 0.038 0.000 2.519 236 W HA -0.116 4.544 4.660 -0.000 0.000 0.266 236 W C 2.220 178.695 176.519 -0.073 0.000 1.253 236 W CA 0.489 57.833 57.345 -0.001 0.000 1.274 236 W CB -0.600 29.001 29.460 0.235 0.000 1.114 236 W HN 0.101 nan 8.180 nan 0.000 0.596 237 F N -0.167 119.677 119.950 -0.176 0.000 2.234 237 F HA -0.202 4.325 4.527 -0.000 0.000 0.299 237 F C 2.166 177.862 175.800 -0.174 0.000 1.087 237 F CA 1.593 59.356 58.000 -0.395 0.000 1.340 237 F CB -0.419 38.210 39.000 -0.618 0.000 1.031 237 F HN -0.035 nan 8.300 nan 0.000 0.500 238 F N 0.253 120.054 119.950 -0.249 0.000 2.262 238 F HA 0.215 4.742 4.527 -0.000 0.000 0.292 238 F C 2.250 177.820 175.800 -0.384 0.000 1.081 238 F CA 1.300 59.107 58.000 -0.322 0.000 1.355 238 F CB -1.213 37.574 39.000 -0.356 0.000 1.069 238 F HN -0.104 nan 8.300 nan 0.000 0.506 239 G N -0.265 108.005 108.800 -0.882 0.000 2.513 239 G HA2 -0.408 3.552 3.960 -0.000 0.000 0.219 239 G HA3 -0.408 3.552 3.960 -0.000 0.000 0.219 239 G C 1.502 176.173 174.900 -0.381 0.000 1.160 239 G CA 1.560 46.191 45.100 -0.782 0.000 0.767 239 G HN 0.563 nan 8.290 nan 0.000 0.571 240 H N 1.679 120.705 119.070 -0.073 0.000 2.299 240 H HA 0.011 4.567 4.556 -0.000 0.000 0.302 240 H C 0.244 175.501 175.328 -0.119 0.000 1.078 240 H CA 1.608 57.672 56.048 0.026 0.000 1.323 240 H CB -0.665 29.199 29.762 0.170 0.000 1.381 240 H HN 0.281 nan 8.280 nan 0.000 0.498 241 P HA -0.170 nan 4.420 nan 0.000 0.216 241 P C 1.244 178.269 177.300 -0.459 0.000 1.150 241 P CA 1.970 64.754 63.100 -0.526 0.000 0.843 241 P CB 0.031 31.164 31.700 -0.945 0.000 0.787 242 E N 0.025 119.810 120.200 -0.691 0.000 2.085 242 E HA -0.171 4.179 4.350 -0.000 0.000 0.194 242 E C 1.729 178.050 176.600 -0.465 0.000 0.994 242 E CA 1.561 57.578 56.400 -0.639 0.000 0.801 242 E CB -1.250 27.827 29.700 -1.038 0.000 0.743 242 E HN 0.133 nan 8.360 nan 0.000 0.453 243 V N -1.137 118.460 119.914 -0.529 0.000 2.515 243 V HA -0.189 3.931 4.120 -0.000 0.000 0.250 243 V C 1.870 177.613 176.094 -0.585 0.000 1.058 243 V CA 1.686 63.661 62.300 -0.541 0.000 1.064 243 V CB -1.056 30.430 31.823 -0.561 0.000 0.675 243 V HN 0.244 nan 8.190 nan 0.000 0.461 244 Y N 0.285 120.405 120.300 -0.300 0.000 2.337 244 Y HA 0.202 4.752 4.550 -0.000 0.000 0.293 244 Y C 2.331 178.112 175.900 -0.199 0.000 1.123 244 Y CA 1.433 59.426 58.100 -0.180 0.000 1.201 244 Y CB -0.387 38.019 38.460 -0.090 0.000 1.011 244 Y HN 0.187 nan 8.280 nan 0.000 0.545 245 I N -0.501 119.992 120.570 -0.129 0.000 2.286 245 I HA -0.301 3.869 4.170 -0.000 0.000 0.248 245 I C 1.872 177.893 176.117 -0.160 0.000 1.115 245 I CA 1.298 62.523 61.300 -0.125 0.000 1.392 245 I CB -0.291 37.628 38.000 -0.134 0.000 1.065 245 I HN 0.211 nan 8.210 nan 0.000 0.418 246 L N -0.527 120.563 121.223 -0.221 0.000 2.217 246 L HA -0.149 4.191 4.340 -0.000 0.000 0.211 246 L C 2.230 178.985 176.870 -0.191 0.000 1.107 246 L CA 0.855 55.566 54.840 -0.213 0.000 0.783 246 L CB -0.113 41.783 42.059 -0.272 0.000 0.919 246 L HN 0.241 nan 8.230 nan 0.000 0.442 247 I N -1.250 119.166 120.570 -0.258 0.000 3.526 247 I HA -0.041 4.129 4.170 -0.000 0.000 0.294 247 I C 1.968 177.760 176.117 -0.543 0.000 1.229 247 I CA 0.778 61.857 61.300 -0.368 0.000 1.408 247 I CB 0.195 37.924 38.000 -0.451 0.000 1.127 247 I HN 0.011 nan 8.210 nan 0.000 0.439 248 L N 1.261 122.265 121.223 -0.366 0.000 2.013 248 L HA -0.162 4.178 4.340 -0.000 0.000 0.212 248 L C -0.460 176.395 176.870 -0.026 0.000 1.073 248 L CA 1.785 56.510 54.840 -0.191 0.000 0.753 248 L CB -1.747 40.298 42.059 -0.023 0.000 0.890 248 L HN 0.195 nan 8.230 nan 0.000 0.432 249 P HA -0.103 nan 4.420 nan 0.000 0.220 249 P C 1.492 178.895 177.300 0.170 0.000 1.148 249 P CA 1.489 64.631 63.100 0.071 0.000 0.803 249 P CB -0.132 31.591 31.700 0.038 0.000 0.782 250 G N -1.165 107.648 108.800 0.022 0.000 2.404 250 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.215 250 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.215 250 G C 1.455 176.357 174.900 0.004 0.000 1.174 250 G CA 0.231 45.301 45.100 -0.050 0.000 0.780 250 G HN 0.226 nan 8.290 nan 0.000 0.537 251 F N 1.333 121.295 119.950 0.020 0.000 2.126 251 F HA -0.107 4.420 4.527 -0.000 0.000 0.299 251 F C 3.011 178.980 175.800 0.281 0.000 1.096 251 F CA 0.343 58.468 58.000 0.208 0.000 1.255 251 F CB -0.152 39.023 39.000 0.292 0.000 0.997 251 F HN 0.278 nan 8.300 nan 0.000 0.479 252 G N 0.229 109.319 108.800 0.483 0.000 2.421 252 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.216 252 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.216 252 G C 1.578 176.770 174.900 0.486 0.000 1.171 252 G CA 0.740 46.161 45.100 0.535 0.000 0.775 252 G HN 0.216 nan 8.290 nan 0.000 0.543 253 M N 0.105 119.871 119.600 0.277 0.000 2.175 253 M HA 0.039 4.519 4.480 -0.000 0.000 0.264 253 M C 2.457 178.763 176.300 0.010 0.000 1.063 253 M CA 0.847 56.180 55.300 0.054 0.000 1.119 253 M CB -0.289 32.235 32.600 -0.126 0.000 1.377 253 M HN 0.096 nan 8.290 nan 0.000 0.415 254 I N -0.016 120.460 120.570 -0.157 0.000 2.286 254 I HA -0.224 3.946 4.170 -0.000 0.000 0.248 254 I C 2.433 178.406 176.117 -0.240 0.000 1.115 254 I CA 1.438 62.482 61.300 -0.427 0.000 1.392 254 I CB -1.233 36.141 38.000 -1.043 0.000 1.065 254 I HN 0.236 nan 8.210 nan 0.000 0.418 255 S N -0.543 115.253 115.700 0.161 0.000 2.368 255 S HA -0.182 4.288 4.470 -0.000 0.000 0.225 255 S C 1.894 176.670 174.600 0.293 0.000 1.030 255 S CA 1.011 59.463 58.200 0.420 0.000 0.999 255 S CB -0.399 63.166 63.200 0.608 0.000 0.844 255 S HN 0.510 nan 8.310 nan 0.000 0.459 256 H N 0.328 119.502 119.070 0.174 0.000 2.357 256 H HA 0.050 4.606 4.556 -0.000 0.000 0.301 256 H C 2.158 177.452 175.328 -0.057 0.000 1.082 256 H CA 1.387 57.520 56.048 0.142 0.000 1.342 256 H CB -0.155 29.765 29.762 0.263 0.000 1.389 256 H HN 0.338 nan 8.280 nan 0.000 0.511 257 I N 0.337 120.874 120.570 -0.055 0.000 2.179 257 I HA -0.231 3.939 4.170 -0.000 0.000 0.242 257 I C 2.525 178.633 176.117 -0.015 0.000 1.088 257 I CA 0.734 61.920 61.300 -0.190 0.000 1.357 257 I CB -0.179 37.705 38.000 -0.194 0.000 1.051 257 I HN 0.011 nan 8.210 nan 0.000 0.409 258 V N 0.473 120.367 119.914 -0.034 0.000 2.343 258 V HA -0.275 3.845 4.120 -0.000 0.000 0.247 258 V C 2.501 178.617 176.094 0.038 0.000 1.051 258 V CA 2.449 64.747 62.300 -0.003 0.000 1.036 258 V CB -0.917 30.884 31.823 -0.037 0.000 0.654 258 V HN 0.475 nan 8.190 nan 0.000 0.451 259 T N -1.117 113.474 114.554 0.061 0.000 2.708 259 T HA -0.227 4.123 4.350 -0.000 0.000 0.266 259 T C 1.738 176.415 174.700 -0.038 0.000 1.037 259 T CA 2.070 64.197 62.100 0.046 0.000 1.146 259 T CB -0.379 68.528 68.868 0.065 0.000 0.865 259 T HN 0.535 nan 8.240 nan 0.000 0.435 260 Y N 0.802 120.974 120.300 -0.213 0.000 2.097 260 Y HA -0.222 4.327 4.550 -0.000 0.000 0.282 260 Y C 1.838 177.447 175.900 -0.486 0.000 1.152 260 Y CA 1.429 59.287 58.100 -0.404 0.000 1.136 260 Y CB -0.390 37.676 38.460 -0.656 0.000 0.975 260 Y HN 0.245 nan 8.280 nan 0.000 0.498 261 Y N -1.025 119.256 120.300 -0.033 0.000 2.578 261 Y HA 0.010 4.560 4.550 -0.000 0.000 0.297 261 Y C 2.157 177.947 175.900 -0.183 0.000 1.176 261 Y CA 0.847 58.877 58.100 -0.117 0.000 1.315 261 Y CB -0.198 38.196 38.460 -0.111 0.000 1.031 261 Y HN 0.028 nan 8.280 nan 0.000 0.524 262 S N -1.052 114.601 115.700 -0.077 0.000 2.556 262 S HA 0.207 4.677 4.470 -0.000 0.000 0.216 262 S C 1.736 176.266 174.600 -0.117 0.000 0.970 262 S CA 0.547 58.694 58.200 -0.088 0.000 0.912 262 S CB -0.088 63.088 63.200 -0.040 0.000 0.790 262 S HN 0.645 nan 8.310 nan 0.000 0.504 263 G N 1.718 110.404 108.800 -0.191 0.000 2.198 263 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.260 263 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.260 263 G C -0.065 174.740 174.900 -0.158 0.000 1.025 263 G CA 0.299 45.269 45.100 -0.218 0.000 0.769 263 G HN 0.362 nan 8.290 nan 0.000 0.507 264 K N -0.185 120.140 120.400 -0.125 0.000 2.098 264 K HA 0.557 4.877 4.320 -0.000 0.000 0.261 264 K C 1.450 178.013 176.600 -0.061 0.000 0.987 264 K CA -0.234 56.017 56.287 -0.060 0.000 0.916 264 K CB 0.903 33.403 32.500 -0.000 0.000 1.039 264 K HN 0.289 nan 8.250 nan 0.000 0.455 265 K N 1.159 121.542 120.400 -0.028 0.000 2.426 265 K HA 0.049 4.369 4.320 -0.000 0.000 0.193 265 K C -0.388 176.221 176.600 0.014 0.000 1.028 265 K CA 0.408 56.686 56.287 -0.014 0.000 1.047 265 K CB 0.164 32.658 32.500 -0.010 0.000 0.821 265 K HN 0.633 nan 8.250 nan 0.000 0.513 266 E N 0.346 120.565 120.200 0.032 0.000 2.396 266 E HA 0.301 4.651 4.350 -0.000 0.000 0.280 266 E C -3.162 173.504 176.600 0.110 0.000 1.065 266 E CA -2.135 54.302 56.400 0.062 0.000 0.831 266 E CB 1.385 31.110 29.700 0.041 0.000 1.272 266 E HN -0.162 nan 8.360 nan 0.000 0.443 267 P HA 0.173 nan 4.420 nan 0.000 0.277 267 P C -0.697 176.742 177.300 0.233 0.000 1.240 267 P CA -0.448 62.788 63.100 0.227 0.000 0.798 267 P CB 0.487 32.343 31.700 0.260 0.000 0.979 268 F N 1.855 121.883 119.950 0.131 0.000 2.538 268 F HA 0.363 4.890 4.527 -0.000 0.000 0.371 268 F C 1.324 177.178 175.800 0.090 0.000 1.087 268 F CA 1.220 59.282 58.000 0.104 0.000 1.250 268 F CB -0.128 38.934 39.000 0.103 0.000 1.110 268 F HN 0.703 nan 8.300 nan 0.000 0.570 269 G N 6.057 114.495 108.800 -0.603 0.000 2.359 269 G HA2 -0.400 3.560 3.960 -0.000 0.000 0.298 269 G HA3 -0.400 3.560 3.960 -0.000 0.000 0.298 269 G C 0.386 175.255 174.900 -0.053 0.000 1.030 269 G CA 0.630 45.513 45.100 -0.362 0.000 1.149 269 G HN 1.062 nan 8.290 nan 0.000 0.512 270 Y N 0.509 120.745 120.300 -0.107 0.000 2.069 270 Y HA -0.284 4.266 4.550 -0.000 0.000 0.278 270 Y C 2.660 178.527 175.900 -0.055 0.000 1.175 270 Y CA 2.708 60.790 58.100 -0.030 0.000 1.134 270 Y CB -0.090 38.375 38.460 0.008 0.000 0.965 270 Y HN 0.412 nan 8.280 nan 0.000 0.498 271 M N -0.116 119.509 119.600 0.041 0.000 2.213 271 M HA -0.103 4.377 4.480 -0.000 0.000 0.263 271 M C 2.407 178.630 176.300 -0.128 0.000 1.062 271 M CA 1.430 56.667 55.300 -0.106 0.000 1.105 271 M CB -1.887 30.686 32.600 -0.045 0.000 1.385 271 M HN 0.513 nan 8.290 nan 0.000 0.417 272 G N -0.317 108.433 108.800 -0.082 0.000 2.422 272 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.218 272 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.218 272 G C 1.532 176.471 174.900 0.066 0.000 1.140 272 G CA 0.392 45.499 45.100 0.011 0.000 0.775 272 G HN 0.260 nan 8.290 nan 0.000 0.545 273 M N 0.435 119.978 119.600 -0.095 0.000 2.200 273 M HA 0.043 4.523 4.480 -0.000 0.000 0.265 273 M C 2.716 178.869 176.300 -0.247 0.000 1.066 273 M CA 0.665 55.867 55.300 -0.162 0.000 1.127 273 M CB -0.877 31.623 32.600 -0.166 0.000 1.379 273 M HN 0.109 nan 8.290 nan 0.000 0.420 274 V N -1.050 118.604 119.914 -0.434 0.000 2.307 274 V HA -0.259 3.861 4.120 -0.000 0.000 0.245 274 V C 2.085 177.965 176.094 -0.356 0.000 1.045 274 V CA 1.791 63.693 62.300 -0.663 0.000 1.024 274 V CB -0.836 30.348 31.823 -1.065 0.000 0.651 274 V HN 0.635 nan 8.190 nan 0.000 0.449 275 W N 1.283 122.380 121.300 -0.339 0.000 2.335 275 W HA -0.227 4.433 4.660 -0.000 0.000 0.311 275 W C 2.415 178.854 176.519 -0.133 0.000 1.213 275 W CA 2.255 59.478 57.345 -0.203 0.000 1.274 275 W CB -0.435 28.927 29.460 -0.163 0.000 1.148 275 W HN 0.187 nan 8.180 nan 0.000 0.498 276 A N 0.488 123.179 122.820 -0.215 0.000 1.883 276 A HA -0.238 4.082 4.320 -0.000 0.000 0.217 276 A C 2.071 179.447 177.584 -0.348 0.000 1.186 276 A CA 2.271 54.043 52.037 -0.442 0.000 0.624 276 A CB -0.933 17.988 19.000 -0.132 0.000 0.822 276 A HN 0.446 nan 8.150 nan 0.000 0.444 277 M N -1.325 118.159 119.600 -0.193 0.000 2.175 277 M HA -0.095 4.385 4.480 -0.000 0.000 0.264 277 M C 2.379 178.635 176.300 -0.072 0.000 1.063 277 M CA 1.421 56.691 55.300 -0.050 0.000 1.119 277 M CB -0.364 32.258 32.600 0.036 0.000 1.377 277 M HN 0.431 nan 8.290 nan 0.000 0.415 278 M N -0.872 118.634 119.600 -0.155 0.000 2.132 278 M HA -0.147 4.333 4.480 -0.000 0.000 0.263 278 M C 2.242 178.479 176.300 -0.106 0.000 1.065 278 M CA 1.361 56.610 55.300 -0.085 0.000 1.122 278 M CB -0.436 32.110 32.600 -0.091 0.000 1.365 278 M HN 0.191 nan 8.290 nan 0.000 0.411 279 S N 1.050 116.544 115.700 -0.343 0.000 2.356 279 S HA -0.091 4.379 4.470 -0.000 0.000 0.223 279 S C 1.828 176.348 174.600 -0.133 0.000 1.032 279 S CA 1.190 59.199 58.200 -0.319 0.000 1.005 279 S CB -0.389 62.337 63.200 -0.789 0.000 0.867 279 S HN 0.365 nan 8.310 nan 0.000 0.449 280 I N 1.472 121.935 120.570 -0.180 0.000 2.226 280 I HA -0.167 4.003 4.170 -0.000 0.000 0.245 280 I C 2.669 178.682 176.117 -0.175 0.000 1.100 280 I CA 1.221 62.426 61.300 -0.158 0.000 1.374 280 I CB -0.785 37.205 38.000 -0.017 0.000 1.057 280 I HN 0.381 nan 8.210 nan 0.000 0.413 281 G N 0.415 109.199 108.800 -0.028 0.000 2.418 281 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.217 281 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.217 281 G C 1.572 176.563 174.900 0.152 0.000 1.158 281 G CA 0.551 45.686 45.100 0.059 0.000 0.771 281 G HN 0.321 nan 8.290 nan 0.000 0.545 282 F N 1.325 121.306 119.950 0.052 0.000 2.051 282 F HA 0.040 4.567 4.527 -0.000 0.000 0.296 282 F C 2.480 178.345 175.800 0.108 0.000 1.122 282 F CA 1.253 59.317 58.000 0.106 0.000 1.201 282 F CB -0.456 38.557 39.000 0.021 0.000 0.978 282 F HN 0.031 nan 8.300 nan 0.000 0.472 283 L N 0.157 121.271 121.223 -0.182 0.000 2.187 283 L HA -0.162 4.178 4.340 -0.000 0.000 0.213 283 L C 2.635 179.334 176.870 -0.284 0.000 1.100 283 L CA 1.167 55.857 54.840 -0.250 0.000 0.765 283 L CB -1.471 40.515 42.059 -0.122 0.000 0.904 283 L HN 0.391 nan 8.230 nan 0.000 0.437 284 G N -1.033 107.570 108.800 -0.329 0.000 2.535 284 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.218 284 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.218 284 G C 1.174 175.930 174.900 -0.240 0.000 1.122 284 G CA 0.218 45.122 45.100 -0.326 0.000 0.769 284 G HN 0.291 nan 8.290 nan 0.000 0.549 285 F N 0.029 119.855 119.950 -0.205 0.000 2.749 285 F HA 0.309 4.836 4.527 -0.000 0.000 0.300 285 F C 1.854 177.673 175.800 0.032 0.000 1.103 285 F CA -0.150 57.718 58.000 -0.220 0.000 1.342 285 F CB 0.449 39.291 39.000 -0.263 0.000 1.098 285 F HN 0.214 nan 8.300 nan 0.000 0.586 286 I N -1.956 118.720 120.570 0.178 0.000 3.833 286 I HA 0.257 4.427 4.170 -0.000 0.000 0.328 286 I C 0.383 176.641 176.117 0.234 0.000 1.554 286 I CA 0.015 61.510 61.300 0.324 0.000 1.116 286 I CB 0.153 38.227 38.000 0.124 0.000 1.182 286 I HN -0.096 nan 8.210 nan 0.000 0.459 287 V N -3.450 116.578 119.914 0.190 0.000 3.398 287 V HA 0.201 4.321 4.120 -0.000 0.000 0.298 287 V C 1.744 177.632 176.094 -0.343 0.000 1.496 287 V CA -0.117 62.184 62.300 0.003 0.000 1.044 287 V CB -0.846 30.826 31.823 -0.252 0.000 0.880 287 V HN 0.698 nan 8.190 nan 0.000 0.443 288 W N 2.467 123.705 121.300 -0.103 0.000 2.313 288 W HA -0.110 4.550 4.660 -0.000 0.000 0.293 288 W C 1.845 178.119 176.519 -0.408 0.000 1.216 288 W CA 2.070 59.317 57.345 -0.164 0.000 1.223 288 W CB -0.928 28.606 29.460 0.123 0.000 1.138 288 W HN 0.252 nan 8.180 nan 0.000 0.535 289 A N 1.640 123.451 122.820 -1.683 0.000 2.216 289 A HA -0.198 4.122 4.320 -0.000 0.000 0.214 289 A C 1.819 178.625 177.584 -1.297 0.000 1.160 289 A CA 1.301 52.388 52.037 -1.583 0.000 0.725 289 A CB -1.830 15.699 19.000 -2.453 0.000 0.784 289 A HN 0.821 nan 8.150 nan 0.000 0.472 290 H N -3.136 115.232 119.070 -1.170 0.000 2.567 290 H HA 0.016 4.572 4.556 -0.000 0.000 0.276 290 H C 0.770 175.244 175.328 -1.423 0.000 1.016 290 H CA 0.849 55.877 56.048 -1.700 0.000 1.186 290 H CB -0.324 28.891 29.762 -0.912 0.000 1.351 290 H HN 0.672 nan 8.280 nan 0.000 0.605 291 H N 0.433 119.071 119.070 -0.720 0.000 2.529 291 H HA 0.219 4.775 4.556 -0.000 0.000 0.277 291 H C 0.498 175.466 175.328 -0.601 0.000 1.004 291 H CA 0.211 55.809 56.048 -0.750 0.000 1.167 291 H CB 0.553 29.354 29.762 -1.600 0.000 1.445 291 H HN 0.484 nan 8.280 nan 0.000 0.554 292 M N -0.478 118.792 119.600 -0.550 0.000 2.848 292 M HA 0.112 4.592 4.480 -0.000 0.000 0.420 292 M C 0.195 176.349 176.300 -0.242 0.000 1.304 292 M CA -0.196 54.900 55.300 -0.340 0.000 0.844 292 M CB 0.534 32.974 32.600 -0.266 0.000 1.451 292 M HN -0.088 nan 8.290 nan 0.000 0.511 293 F N 1.166 120.938 119.950 -0.297 0.000 2.333 293 F HA -0.100 4.427 4.527 -0.000 0.000 0.300 293 F C 2.550 178.247 175.800 -0.172 0.000 1.083 293 F CA 1.614 59.486 58.000 -0.213 0.000 1.395 293 F CB -0.791 38.094 39.000 -0.191 0.000 1.056 293 F HN 0.284 nan 8.300 nan 0.000 0.529 294 T N -3.647 110.874 114.554 -0.055 0.000 3.054 294 T HA 0.145 4.495 4.350 -0.000 0.000 0.255 294 T C 1.550 176.254 174.700 0.007 0.000 1.035 294 T CA 0.661 62.751 62.100 -0.016 0.000 0.941 294 T CB -0.691 68.181 68.868 0.007 0.000 1.026 294 T HN 0.093 nan 8.240 nan 0.000 0.533 295 V N -1.377 118.531 119.914 -0.010 0.000 3.380 295 V HA 0.524 4.644 4.120 -0.000 0.000 0.268 295 V C 1.413 177.528 176.094 0.034 0.000 1.168 295 V CA 0.341 62.648 62.300 0.012 0.000 1.156 295 V CB -1.372 30.438 31.823 -0.022 0.000 0.785 295 V HN 0.831 nan 8.190 nan 0.000 0.487 296 G N 0.138 108.963 108.800 0.042 0.000 2.526 296 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.225 296 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.225 296 G C -0.458 174.481 174.900 0.064 0.000 1.120 296 G CA 0.098 45.228 45.100 0.051 0.000 0.904 296 G HN 0.463 nan 8.290 nan 0.000 0.498 297 M N 0.377 120.021 119.600 0.074 0.000 2.409 297 M HA 0.371 4.851 4.480 -0.000 0.000 0.329 297 M C 0.144 176.496 176.300 0.087 0.000 1.180 297 M CA -0.817 54.541 55.300 0.097 0.000 1.053 297 M CB 0.695 33.370 32.600 0.124 0.000 1.586 297 M HN 0.184 nan 8.290 nan 0.000 0.461 298 D N 1.041 121.498 120.400 0.094 0.000 2.478 298 D HA -0.064 4.576 4.640 -0.000 0.000 0.234 298 D C 0.856 177.200 176.300 0.075 0.000 1.154 298 D CA 0.073 54.120 54.000 0.077 0.000 0.874 298 D CB 0.806 41.654 40.800 0.080 0.000 1.198 298 D HN 0.343 nan 8.370 nan 0.000 0.455 299 V N 1.826 121.769 119.914 0.048 0.000 2.427 299 V HA -0.223 3.897 4.120 -0.000 0.000 0.248 299 V C 1.218 177.340 176.094 0.047 0.000 1.051 299 V CA 1.837 64.156 62.300 0.031 0.000 1.048 299 V CB -0.119 31.711 31.823 0.011 0.000 0.666 299 V HN 0.423 nan 8.190 nan 0.000 0.456 300 D N -0.469 119.966 120.400 0.059 0.000 2.117 300 D HA -0.125 4.515 4.640 -0.000 0.000 0.198 300 D C 2.240 178.615 176.300 0.126 0.000 0.982 300 D CA 1.875 55.917 54.000 0.071 0.000 0.828 300 D CB -0.486 40.347 40.800 0.054 0.000 0.967 300 D HN 0.438 nan 8.370 nan 0.000 0.464 301 T N 0.755 115.404 114.554 0.158 0.000 2.788 301 T HA -0.100 4.250 4.350 -0.000 0.000 0.268 301 T C 1.979 176.915 174.700 0.393 0.000 1.044 301 T CA 0.854 63.120 62.100 0.278 0.000 1.139 301 T CB 0.049 69.081 68.868 0.272 0.000 0.867 301 T HN 0.146 nan 8.240 nan 0.000 0.454 302 R N 0.711 121.360 120.500 0.248 0.000 2.092 302 R HA 0.106 4.446 4.340 -0.000 0.000 0.231 302 R C 2.769 179.123 176.300 0.090 0.000 1.119 302 R CA 1.110 57.330 56.100 0.199 0.000 0.970 302 R CB -0.337 29.963 30.300 0.000 0.000 0.864 302 R HN 0.337 nan 8.270 nan 0.000 0.440 303 A N 0.471 123.325 122.820 0.056 0.000 1.930 303 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 303 A C 1.938 179.528 177.584 0.009 0.000 1.175 303 A CA 1.022 53.062 52.037 0.005 0.000 0.627 303 A CB -0.585 18.421 19.000 0.009 0.000 0.815 303 A HN 0.461 nan 8.150 nan 0.000 0.443 304 Y N -0.502 119.792 120.300 -0.009 0.000 2.114 304 Y HA -0.187 4.363 4.550 -0.000 0.000 0.284 304 Y C 1.842 177.657 175.900 -0.142 0.000 1.143 304 Y CA 1.834 59.864 58.100 -0.117 0.000 1.135 304 Y CB -0.658 37.664 38.460 -0.230 0.000 0.980 304 Y HN 0.229 nan 8.280 nan 0.000 0.499 305 F N 0.309 120.073 119.950 -0.310 0.000 2.269 305 F HA -0.174 4.353 4.527 -0.000 0.000 0.301 305 F C 2.456 178.193 175.800 -0.105 0.000 1.082 305 F CA 1.859 59.672 58.000 -0.311 0.000 1.360 305 F CB -0.878 38.103 39.000 -0.031 0.000 1.041 305 F HN 0.045 nan 8.300 nan 0.000 0.512 306 T N -1.172 113.448 114.554 0.110 0.000 2.737 306 T HA -0.147 4.203 4.350 -0.000 0.000 0.265 306 T C 2.275 176.939 174.700 -0.060 0.000 1.038 306 T CA 1.717 63.846 62.100 0.048 0.000 1.144 306 T CB -0.330 68.486 68.868 -0.085 0.000 0.866 306 T HN 0.171 nan 8.240 nan 0.000 0.434 307 S N 1.517 117.127 115.700 -0.150 0.000 2.355 307 S HA -0.010 4.460 4.470 -0.000 0.000 0.222 307 S C 2.576 177.056 174.600 -0.201 0.000 1.031 307 S CA 0.980 59.086 58.200 -0.157 0.000 0.993 307 S CB -0.581 62.532 63.200 -0.145 0.000 0.859 307 S HN 0.567 nan 8.310 nan 0.000 0.453 308 A N 1.365 123.941 122.820 -0.408 0.000 1.933 308 A HA -0.109 4.211 4.320 -0.000 0.000 0.218 308 A C 2.309 179.785 177.584 -0.180 0.000 1.175 308 A CA 2.003 53.823 52.037 -0.361 0.000 0.628 308 A CB -1.293 17.293 19.000 -0.691 0.000 0.814 308 A HN 0.477 nan 8.150 nan 0.000 0.444 309 T N 0.022 114.505 114.554 -0.118 0.000 2.746 309 T HA -0.125 4.225 4.350 -0.000 0.000 0.267 309 T C 1.895 176.590 174.700 -0.010 0.000 1.039 309 T CA 1.747 63.847 62.100 0.000 0.000 1.142 309 T CB -0.297 68.658 68.868 0.146 0.000 0.866 309 T HN 0.451 nan 8.240 nan 0.000 0.444 310 M N 0.285 119.870 119.600 -0.025 0.000 2.296 310 M HA 0.065 4.545 4.480 -0.000 0.000 0.265 310 M C 2.046 178.347 176.300 0.001 0.000 1.064 310 M CA 1.207 56.499 55.300 -0.013 0.000 1.109 310 M CB -0.515 32.072 32.600 -0.021 0.000 1.396 310 M HN 0.219 nan 8.290 nan 0.000 0.430 311 I N 0.370 120.935 120.570 -0.009 0.000 2.335 311 I HA -0.298 3.872 4.170 -0.000 0.000 0.251 311 I C 2.095 178.226 176.117 0.024 0.000 1.129 311 I CA 1.157 62.466 61.300 0.014 0.000 1.402 311 I CB -0.407 37.599 38.000 0.010 0.000 1.069 311 I HN 0.299 nan 8.210 nan 0.000 0.424 312 I N 0.933 121.508 120.570 0.008 0.000 2.567 312 I HA -0.263 3.907 4.170 -0.000 0.000 0.257 312 I C 2.729 178.882 176.117 0.061 0.000 1.184 312 I CA 1.027 62.336 61.300 0.014 0.000 1.451 312 I CB -0.565 37.446 38.000 0.017 0.000 1.089 312 I HN 0.204 nan 8.210 nan 0.000 0.441 313 A N 1.232 124.091 122.820 0.064 0.000 2.019 313 A HA -0.135 4.185 4.320 -0.000 0.000 0.219 313 A C 2.256 179.887 177.584 0.078 0.000 1.164 313 A CA 1.189 53.268 52.037 0.071 0.000 0.644 313 A CB -0.522 18.508 19.000 0.049 0.000 0.805 313 A HN 0.372 nan 8.150 nan 0.000 0.449 314 I N 0.411 121.036 120.570 0.091 0.000 2.133 314 I HA -0.140 4.030 4.170 -0.000 0.000 0.238 314 I C -0.275 175.939 176.117 0.162 0.000 1.074 314 I CA 1.421 62.806 61.300 0.142 0.000 1.342 314 I CB -1.221 36.880 38.000 0.167 0.000 1.053 314 I HN 0.225 nan 8.210 nan 0.000 0.404 315 P HA -0.129 nan 4.420 nan 0.000 0.217 315 P C 1.549 178.837 177.300 -0.020 0.000 1.150 315 P CA 1.696 64.778 63.100 -0.030 0.000 0.832 315 P CB -0.301 31.165 31.700 -0.389 0.000 0.787 316 T N -0.339 114.222 114.554 0.011 0.000 2.788 316 T HA -0.074 4.276 4.350 -0.000 0.000 0.268 316 T C 2.171 176.819 174.700 -0.086 0.000 1.044 316 T CA 1.744 63.852 62.100 0.014 0.000 1.139 316 T CB -1.161 67.831 68.868 0.206 0.000 0.867 316 T HN 0.208 nan 8.240 nan 0.000 0.454 317 G N 1.074 109.844 108.800 -0.050 0.000 2.418 317 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.217 317 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.217 317 G C 1.691 176.497 174.900 -0.158 0.000 1.158 317 G CA 0.682 45.672 45.100 -0.184 0.000 0.771 317 G HN 0.429 nan 8.290 nan 0.000 0.545 318 V N 0.640 120.583 119.914 0.048 0.000 2.392 318 V HA -0.199 3.921 4.120 -0.000 0.000 0.249 318 V C 2.824 178.858 176.094 -0.100 0.000 1.059 318 V CA 2.233 64.600 62.300 0.112 0.000 1.051 318 V CB -0.346 31.625 31.823 0.247 0.000 0.658 318 V HN 0.374 nan 8.190 nan 0.000 0.455 319 K N -0.553 119.648 120.400 -0.332 0.000 2.025 319 K HA -0.104 4.216 4.320 -0.000 0.000 0.207 319 K C 2.102 178.111 176.600 -0.984 0.000 1.049 319 K CA 1.310 57.120 56.287 -0.793 0.000 0.933 319 K CB -0.397 31.438 32.500 -1.109 0.000 0.714 319 K HN 0.320 nan 8.250 nan 0.000 0.438 320 V N 1.135 120.673 119.914 -0.626 0.000 2.287 320 V HA -0.245 3.875 4.120 -0.000 0.000 0.248 320 V C 2.011 178.031 176.094 -0.124 0.000 1.053 320 V CA 1.840 63.979 62.300 -0.267 0.000 1.027 320 V CB -0.548 31.121 31.823 -0.256 0.000 0.646 320 V HN 0.232 nan 8.190 nan 0.000 0.447 321 F N -0.068 119.873 119.950 -0.016 0.000 2.293 321 F HA -0.133 4.394 4.527 -0.000 0.000 0.300 321 F C 2.607 178.372 175.800 -0.058 0.000 1.086 321 F CA 1.084 59.074 58.000 -0.016 0.000 1.375 321 F CB -0.311 38.673 39.000 -0.028 0.000 1.045 321 F HN 0.069 nan 8.300 nan 0.000 0.516 322 S N -0.921 114.819 115.700 0.068 0.000 2.387 322 S HA -0.136 4.334 4.470 -0.000 0.000 0.226 322 S C 1.699 176.396 174.600 0.162 0.000 1.026 322 S CA 0.653 58.920 58.200 0.112 0.000 0.972 322 S CB -0.276 62.968 63.200 0.073 0.000 0.814 322 S HN 0.398 nan 8.310 nan 0.000 0.477 323 W N 1.917 123.283 121.300 0.111 0.000 2.388 323 W HA 0.106 4.766 4.660 -0.000 0.000 0.294 323 W C 1.867 178.434 176.519 0.080 0.000 1.212 323 W CA 0.260 57.664 57.345 0.098 0.000 1.271 323 W CB -1.174 28.340 29.460 0.091 0.000 1.126 323 W HN 0.305 nan 8.180 nan 0.000 0.535 324 L N 0.015 121.423 121.223 0.307 0.000 2.093 324 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 324 L C 2.546 179.461 176.870 0.075 0.000 1.085 324 L CA 1.420 56.374 54.840 0.190 0.000 0.755 324 L CB -1.313 40.868 42.059 0.204 0.000 0.904 324 L HN -0.149 nan 8.230 nan 0.000 0.435 325 A N -0.616 122.172 122.820 -0.053 0.000 2.066 325 A HA -0.113 4.207 4.320 -0.000 0.000 0.218 325 A C 2.278 179.841 177.584 -0.035 0.000 1.157 325 A CA 1.746 53.600 52.037 -0.305 0.000 0.670 325 A CB -0.582 17.744 19.000 -1.123 0.000 0.804 325 A HN 0.370 nan 8.150 nan 0.000 0.453 326 T N 0.175 114.814 114.554 0.141 0.000 2.896 326 T HA 0.039 4.389 4.350 -0.000 0.000 0.263 326 T C 1.737 176.520 174.700 0.138 0.000 1.050 326 T CA 1.011 63.240 62.100 0.215 0.000 1.140 326 T CB -0.248 68.783 68.868 0.271 0.000 0.877 326 T HN 0.372 nan 8.240 nan 0.000 0.457 327 L N 0.263 121.558 121.223 0.120 0.000 2.141 327 L HA 0.008 4.348 4.340 -0.000 0.000 0.209 327 L C 1.301 178.215 176.870 0.073 0.000 1.094 327 L CA 0.485 55.362 54.840 0.062 0.000 0.763 327 L CB -0.656 41.433 42.059 0.050 0.000 0.908 327 L HN 0.328 nan 8.230 nan 0.000 0.437 328 H N 0.730 119.795 119.070 -0.010 0.000 3.187 328 H HA 0.149 4.705 4.556 -0.000 0.000 0.286 328 H C 1.129 176.454 175.328 -0.005 0.000 0.944 328 H CA 0.368 56.403 56.048 -0.021 0.000 1.429 328 H CB 0.164 29.890 29.762 -0.060 0.000 1.483 328 H HN 0.309 nan 8.280 nan 0.000 0.555 329 G N 3.007 111.596 108.800 -0.353 0.000 2.162 329 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.260 329 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.260 329 G C 0.672 175.489 174.900 -0.139 0.000 0.976 329 G CA 0.362 45.274 45.100 -0.314 0.000 0.655 329 G HN 1.029 nan 8.290 nan 0.000 0.533 330 G N -0.578 108.169 108.800 -0.089 0.000 2.537 330 G HA2 0.447 4.407 3.960 -0.000 0.000 0.273 330 G HA3 0.447 4.407 3.960 -0.000 0.000 0.273 330 G C 0.014 174.870 174.900 -0.073 0.000 1.189 330 G CA 0.048 45.104 45.100 -0.072 0.000 0.881 330 G HN 0.483 nan 8.290 nan 0.000 0.535 331 N N 1.080 119.736 118.700 -0.073 0.000 2.719 331 N HA 0.066 4.806 4.740 -0.000 0.000 0.243 331 N C 0.274 175.736 175.510 -0.080 0.000 1.104 331 N CA -0.673 52.342 53.050 -0.059 0.000 0.981 331 N CB -0.052 38.402 38.487 -0.055 0.000 1.290 331 N HN 0.137 nan 8.380 nan 0.000 0.513 332 I N 1.667 122.172 120.570 -0.108 0.000 2.662 332 I HA -0.032 4.138 4.170 -0.000 0.000 0.285 332 I C 0.836 176.831 176.117 -0.205 0.000 1.161 332 I CA 0.057 61.217 61.300 -0.234 0.000 1.415 332 I CB -0.370 37.360 38.000 -0.451 0.000 1.385 332 I HN 0.383 nan 8.210 nan 0.000 0.552 333 K N 6.985 127.297 120.400 -0.148 0.000 2.292 333 K HA 0.193 4.513 4.320 -0.000 0.000 0.270 333 K C -0.702 175.843 176.600 -0.092 0.000 1.062 333 K CA -0.250 56.037 56.287 0.001 0.000 0.916 333 K CB 0.199 32.794 32.500 0.159 0.000 1.166 333 K HN 0.369 nan 8.250 nan 0.000 0.458 334 W N 4.633 125.897 121.300 -0.060 0.000 1.830 334 W HA 0.069 4.729 4.660 -0.000 0.000 0.461 334 W C 0.317 176.722 176.519 -0.190 0.000 0.613 334 W CA -0.476 56.791 57.345 -0.130 0.000 2.422 334 W CB -0.588 28.808 29.460 -0.107 0.000 1.059 334 W HN 0.514 nan 8.180 nan 0.000 0.479 335 S N -0.445 115.165 115.700 -0.150 0.000 2.614 335 S HA 0.254 4.724 4.470 -0.000 0.000 0.265 335 S C -1.423 173.005 174.600 -0.286 0.000 1.303 335 S CA -1.100 56.947 58.200 -0.256 0.000 1.000 335 S CB 1.407 64.273 63.200 -0.557 0.000 0.935 335 S HN -0.041 nan 8.310 nan 0.000 0.551 336 P HA -0.041 nan 4.420 nan 0.000 0.215 336 P C 1.579 178.826 177.300 -0.089 0.000 1.153 336 P CA 1.867 64.901 63.100 -0.110 0.000 0.853 336 P CB -0.259 31.494 31.700 0.089 0.000 0.788 337 A N -0.837 121.909 122.820 -0.124 0.000 1.902 337 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 337 A C 2.228 179.698 177.584 -0.190 0.000 1.181 337 A CA 2.156 54.159 52.037 -0.057 0.000 0.623 337 A CB -1.472 17.458 19.000 -0.118 0.000 0.818 337 A HN 0.117 nan 8.150 nan 0.000 0.443 338 M N -0.424 118.882 119.600 -0.490 0.000 2.117 338 M HA -0.077 4.403 4.480 -0.000 0.000 0.262 338 M C 2.042 178.172 176.300 -0.283 0.000 1.065 338 M CA 1.794 56.882 55.300 -0.354 0.000 1.114 338 M CB -0.641 31.694 32.600 -0.443 0.000 1.361 338 M HN 0.433 nan 8.290 nan 0.000 0.408 339 M N -1.899 117.445 119.600 -0.428 0.000 2.086 339 M HA -0.227 4.253 4.480 -0.000 0.000 0.261 339 M C 1.992 177.854 176.300 -0.730 0.000 1.067 339 M CA 1.987 56.823 55.300 -0.773 0.000 1.116 339 M CB -0.730 31.057 32.600 -1.355 0.000 1.348 339 M HN 0.383 nan 8.290 nan 0.000 0.407 340 W N 0.237 121.294 121.300 -0.405 0.000 2.342 340 W HA -0.161 4.499 4.660 -0.000 0.000 0.297 340 W C 2.721 179.396 176.519 0.261 0.000 1.213 340 W CA 1.191 58.574 57.345 0.063 0.000 1.251 340 W CB -0.437 29.043 29.460 0.035 0.000 1.136 340 W HN 0.237 nan 8.180 nan 0.000 0.526 341 A N -0.048 122.934 122.820 0.270 0.000 1.930 341 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 341 A C 1.914 179.630 177.584 0.220 0.000 1.175 341 A CA 1.361 53.491 52.037 0.156 0.000 0.627 341 A CB -0.930 18.043 19.000 -0.044 0.000 0.815 341 A HN 0.297 nan 8.150 nan 0.000 0.443 342 L N -0.857 120.459 121.223 0.156 0.000 2.109 342 L HA -0.046 4.294 4.340 -0.000 0.000 0.207 342 L C 2.800 179.900 176.870 0.383 0.000 1.086 342 L CA 0.914 55.868 54.840 0.191 0.000 0.760 342 L CB -0.781 41.319 42.059 0.067 0.000 0.910 342 L HN 0.467 nan 8.230 nan 0.000 0.437 343 G N -0.071 109.055 108.800 0.542 0.000 2.418 343 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.217 343 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.217 343 G C 1.496 176.752 174.900 0.593 0.000 1.158 343 G CA 0.550 46.135 45.100 0.808 0.000 0.771 343 G HN 0.290 nan 8.290 nan 0.000 0.545 344 F N 1.605 121.849 119.950 0.490 0.000 2.069 344 F HA -0.099 4.428 4.527 -0.000 0.000 0.298 344 F C 2.506 178.470 175.800 0.273 0.000 1.113 344 F CA 1.530 59.715 58.000 0.307 0.000 1.214 344 F CB -0.269 38.885 39.000 0.256 0.000 0.978 344 F HN 0.109 nan 8.300 nan 0.000 0.474 345 I N -0.686 120.166 120.570 0.470 0.000 2.151 345 I HA -0.333 3.837 4.170 -0.000 0.000 0.243 345 I C 2.360 178.674 176.117 0.329 0.000 1.080 345 I CA 1.718 63.260 61.300 0.404 0.000 1.339 345 I CB -0.706 37.526 38.000 0.387 0.000 1.039 345 I HN 0.250 nan 8.210 nan 0.000 0.409 346 F N 1.597 121.666 119.950 0.198 0.000 2.098 346 F HA -0.130 4.397 4.527 -0.000 0.000 0.294 346 F C 2.218 178.078 175.800 0.100 0.000 1.107 346 F CA 1.559 59.657 58.000 0.163 0.000 1.234 346 F CB -0.465 38.663 39.000 0.214 0.000 1.002 346 F HN -0.150 nan 8.300 nan 0.000 0.472 347 L N -0.991 120.171 121.223 -0.101 0.000 2.083 347 L HA -0.211 4.129 4.340 -0.000 0.000 0.209 347 L C 2.487 179.226 176.870 -0.218 0.000 1.083 347 L CA 1.600 56.303 54.840 -0.228 0.000 0.752 347 L CB -1.004 40.882 42.059 -0.288 0.000 0.899 347 L HN 0.230 nan 8.230 nan 0.000 0.433 348 F N 0.806 120.518 119.950 -0.396 0.000 2.134 348 F HA -0.235 4.292 4.527 -0.000 0.000 0.299 348 F C 2.456 178.150 175.800 -0.175 0.000 1.097 348 F CA 1.942 59.719 58.000 -0.372 0.000 1.264 348 F CB -0.275 38.320 39.000 -0.674 0.000 1.001 348 F HN -0.086 nan 8.300 nan 0.000 0.479 349 T N 0.152 114.560 114.554 -0.244 0.000 2.746 349 T HA -0.162 4.188 4.350 -0.000 0.000 0.267 349 T C 2.126 176.624 174.700 -0.336 0.000 1.039 349 T CA 1.555 63.505 62.100 -0.251 0.000 1.142 349 T CB -0.554 68.282 68.868 -0.053 0.000 0.866 349 T HN 0.132 nan 8.240 nan 0.000 0.444 350 V N 1.322 120.989 119.914 -0.412 0.000 2.295 350 V HA -0.115 4.005 4.120 -0.000 0.000 0.246 350 V C 2.863 178.741 176.094 -0.359 0.000 1.049 350 V CA 2.085 64.123 62.300 -0.437 0.000 1.024 350 V CB -1.312 30.143 31.823 -0.614 0.000 0.648 350 V HN 0.589 nan 8.190 nan 0.000 0.447 351 G N -0.242 108.367 108.800 -0.319 0.000 2.422 351 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.218 351 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.218 351 G C 1.617 176.443 174.900 -0.123 0.000 1.146 351 G CA 0.902 45.881 45.100 -0.202 0.000 0.769 351 G HN 0.592 nan 8.290 nan 0.000 0.547 352 G N 0.876 109.447 108.800 -0.382 0.000 2.418 352 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.217 352 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.217 352 G C 1.795 176.609 174.900 -0.142 0.000 1.158 352 G CA 0.679 45.600 45.100 -0.298 0.000 0.771 352 G HN 0.423 nan 8.290 nan 0.000 0.545 353 L N 1.170 122.295 121.223 -0.162 0.000 2.093 353 L HA -0.065 4.275 4.340 -0.000 0.000 0.208 353 L C 3.296 180.118 176.870 -0.080 0.000 1.085 353 L CA 1.679 56.454 54.840 -0.108 0.000 0.755 353 L CB -0.706 41.286 42.059 -0.112 0.000 0.904 353 L HN 0.405 nan 8.230 nan 0.000 0.435 354 T N -3.647 110.863 114.554 -0.072 0.000 2.951 354 T HA -0.052 4.298 4.350 -0.000 0.000 0.268 354 T C 1.920 176.535 174.700 -0.141 0.000 1.073 354 T CA 0.805 62.898 62.100 -0.012 0.000 1.134 354 T CB -0.634 68.194 68.868 -0.067 0.000 0.884 354 T HN 0.377 nan 8.240 nan 0.000 0.479 355 G N 1.813 110.421 108.800 -0.321 0.000 2.408 355 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.217 355 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.217 355 G C 1.449 176.177 174.900 -0.287 0.000 1.150 355 G CA 0.505 45.224 45.100 -0.635 0.000 0.776 355 G HN 0.444 nan 8.290 nan 0.000 0.542 356 I N 0.988 121.469 120.570 -0.148 0.000 2.394 356 I HA -0.082 4.088 4.170 -0.000 0.000 0.251 356 I C 2.870 178.936 176.117 -0.085 0.000 1.136 356 I CA 0.602 61.847 61.300 -0.092 0.000 1.425 356 I CB -0.787 37.181 38.000 -0.053 0.000 1.079 356 I HN 0.031 nan 8.210 nan 0.000 0.425 357 V N 0.901 120.772 119.914 -0.071 0.000 2.307 357 V HA -0.233 3.887 4.120 -0.000 0.000 0.245 357 V C 2.527 178.561 176.094 -0.100 0.000 1.045 357 V CA 1.384 63.647 62.300 -0.063 0.000 1.024 357 V CB -0.475 31.352 31.823 0.005 0.000 0.651 357 V HN 0.306 nan 8.190 nan 0.000 0.449 358 L N 0.204 121.362 121.223 -0.108 0.000 2.201 358 L HA -0.109 4.231 4.340 -0.000 0.000 0.212 358 L C 2.655 179.486 176.870 -0.065 0.000 1.105 358 L CA 1.215 55.986 54.840 -0.113 0.000 0.775 358 L CB -0.758 41.195 42.059 -0.176 0.000 0.913 358 L HN 0.354 nan 8.230 nan 0.000 0.440 359 A N -0.338 122.428 122.820 -0.091 0.000 2.024 359 A HA -0.139 4.181 4.320 -0.000 0.000 0.220 359 A C 1.028 178.634 177.584 0.038 0.000 1.164 359 A CA 0.970 53.014 52.037 0.011 0.000 0.643 359 A CB -0.602 18.376 19.000 -0.036 0.000 0.806 359 A HN 0.441 nan 8.150 nan 0.000 0.451 360 N N 1.302 119.959 118.700 -0.072 0.000 2.402 360 N HA 0.084 4.824 4.740 -0.000 0.000 0.259 360 N C 1.208 176.549 175.510 -0.282 0.000 1.167 360 N CA 0.680 53.635 53.050 -0.159 0.000 0.949 360 N CB 1.021 39.431 38.487 -0.127 0.000 1.212 360 N HN 0.547 nan 8.380 nan 0.000 0.493 361 S N 1.368 116.705 115.700 -0.605 0.000 2.407 361 S HA -0.206 4.264 4.470 -0.000 0.000 0.235 361 S C 1.877 176.216 174.600 -0.434 0.000 1.036 361 S CA 1.177 58.801 58.200 -0.960 0.000 1.013 361 S CB -0.116 62.210 63.200 -1.457 0.000 0.820 361 S HN 0.419 nan 8.310 nan 0.000 0.476 362 S N 2.003 117.528 115.700 -0.293 0.000 2.353 362 S HA 0.067 4.537 4.470 -0.000 0.000 0.222 362 S C 1.823 176.340 174.600 -0.139 0.000 1.035 362 S CA 1.466 59.560 58.200 -0.177 0.000 1.025 362 S CB -0.578 62.539 63.200 -0.138 0.000 0.902 362 S HN 0.455 nan 8.310 nan 0.000 0.440 363 L N 0.893 122.029 121.223 -0.145 0.000 2.109 363 L HA -0.118 4.222 4.340 -0.000 0.000 0.207 363 L C 2.261 179.062 176.870 -0.115 0.000 1.086 363 L CA 1.307 56.068 54.840 -0.133 0.000 0.760 363 L CB -0.493 41.474 42.059 -0.154 0.000 0.910 363 L HN 0.290 nan 8.230 nan 0.000 0.437 364 D N 0.012 120.354 120.400 -0.095 0.000 2.218 364 D HA -0.205 4.435 4.640 -0.000 0.000 0.204 364 D C 2.137 178.466 176.300 0.048 0.000 0.976 364 D CA 0.764 54.767 54.000 0.005 0.000 0.853 364 D CB 0.215 41.103 40.800 0.146 0.000 0.939 364 D HN 0.096 nan 8.370 nan 0.000 0.481 365 I N 0.197 120.762 120.570 -0.007 0.000 2.163 365 I HA -0.216 3.954 4.170 -0.000 0.000 0.243 365 I C 2.261 178.404 176.117 0.043 0.000 1.085 365 I CA 0.897 62.212 61.300 0.024 0.000 1.347 365 I CB -1.085 36.906 38.000 -0.015 0.000 1.044 365 I HN 0.071 nan 8.210 nan 0.000 0.408 366 V N 0.430 120.343 119.914 -0.003 0.000 2.788 366 V HA -0.105 4.015 4.120 -0.000 0.000 0.251 366 V C 2.319 178.402 176.094 -0.019 0.000 1.068 366 V CA 0.933 63.227 62.300 -0.009 0.000 1.090 366 V CB -0.286 31.515 31.823 -0.035 0.000 0.710 366 V HN 0.309 nan 8.190 nan 0.000 0.467 367 L N -1.206 119.992 121.223 -0.042 0.000 2.416 367 L HA 0.170 4.510 4.340 -0.000 0.000 0.216 367 L C 1.281 178.164 176.870 0.021 0.000 1.098 367 L CA 0.009 54.813 54.840 -0.059 0.000 0.840 367 L CB -0.419 41.518 42.059 -0.203 0.000 0.981 367 L HN 0.362 nan 8.230 nan 0.000 0.462 368 H N 1.190 120.256 119.070 -0.005 0.000 2.972 368 H HA -0.100 4.456 4.556 -0.000 0.000 0.343 368 H C 0.488 175.828 175.328 0.019 0.000 1.054 368 H CA 0.505 56.565 56.048 0.020 0.000 1.412 368 H CB 0.183 29.968 29.762 0.039 0.000 1.385 368 H HN 0.111 nan 8.280 nan 0.000 0.600 369 D N 1.963 121.850 120.400 -0.855 0.000 2.811 369 D HA -0.209 4.431 4.640 -0.000 0.000 0.231 369 D C -0.372 175.765 176.300 -0.271 0.000 1.157 369 D CA 1.450 55.123 54.000 -0.545 0.000 0.716 369 D CB -0.821 39.687 40.800 -0.487 0.000 1.077 369 D HN 0.752 nan 8.370 nan 0.000 0.428 370 T N -4.258 110.184 114.554 -0.187 0.000 2.910 370 T HA 0.419 4.769 4.350 -0.000 0.000 0.287 370 T C 1.012 175.644 174.700 -0.114 0.000 1.050 370 T CA -0.747 61.282 62.100 -0.119 0.000 1.011 370 T CB 0.964 69.810 68.868 -0.036 0.000 1.195 370 T HN -0.061 nan 8.240 nan 0.000 0.540 371 Y N -0.474 119.763 120.300 -0.105 0.000 2.639 371 Y HA 0.026 4.576 4.550 -0.000 0.000 0.297 371 Y C 1.940 177.771 175.900 -0.115 0.000 1.151 371 Y CA 0.801 58.831 58.100 -0.117 0.000 1.335 371 Y CB -0.473 37.890 38.460 -0.162 0.000 0.994 371 Y HN 0.824 nan 8.280 nan 0.000 0.548 372 Y N -1.024 119.232 120.300 -0.074 0.000 2.293 372 Y HA -0.221 4.329 4.550 -0.000 0.000 0.291 372 Y C 2.141 177.984 175.900 -0.094 0.000 1.137 372 Y CA 1.326 59.368 58.100 -0.096 0.000 1.202 372 Y CB -0.235 38.195 38.460 -0.050 0.000 0.990 372 Y HN -0.093 nan 8.280 nan 0.000 0.537 373 V N -1.281 118.697 119.914 0.106 0.000 2.379 373 V HA -0.270 3.850 4.120 -0.000 0.000 0.245 373 V C 2.225 178.281 176.094 -0.063 0.000 1.044 373 V CA 1.642 64.024 62.300 0.136 0.000 1.036 373 V CB -0.708 31.215 31.823 0.167 0.000 0.664 373 V HN 0.279 nan 8.190 nan 0.000 0.453 374 V N 0.538 120.265 119.914 -0.311 0.000 2.407 374 V HA -0.245 3.875 4.120 -0.000 0.000 0.248 374 V C 2.678 178.366 176.094 -0.677 0.000 1.055 374 V CA 1.949 63.782 62.300 -0.778 0.000 1.049 374 V CB -1.197 30.279 31.823 -0.579 0.000 0.662 374 V HN 0.548 nan 8.190 nan 0.000 0.455 375 A N -0.111 122.438 122.820 -0.452 0.000 1.898 375 A HA -0.259 4.061 4.320 -0.000 0.000 0.216 375 A C 2.139 179.471 177.584 -0.420 0.000 1.181 375 A CA 2.086 53.811 52.037 -0.521 0.000 0.620 375 A CB -0.810 17.558 19.000 -1.053 0.000 0.819 375 A HN 0.736 nan 8.150 nan 0.000 0.442 376 H N 0.326 119.130 119.070 -0.444 0.000 2.267 376 H HA -0.223 4.333 4.556 -0.000 0.000 0.297 376 H C 1.669 176.911 175.328 -0.144 0.000 1.080 376 H CA 2.499 58.396 56.048 -0.252 0.000 1.278 376 H CB -0.785 28.899 29.762 -0.130 0.000 1.365 376 H HN 0.597 nan 8.280 nan 0.000 0.489 377 F N -1.491 118.140 119.950 -0.531 0.000 2.407 377 F HA 0.075 4.602 4.527 -0.000 0.000 0.299 377 F C 1.823 177.265 175.800 -0.596 0.000 1.097 377 F CA 0.817 58.438 58.000 -0.632 0.000 1.422 377 F CB -0.727 38.018 39.000 -0.425 0.000 1.067 377 F HN 0.165 nan 8.300 nan 0.000 0.539 378 H N -1.623 117.017 119.070 -0.716 0.000 2.502 378 H HA 0.015 4.571 4.556 -0.000 0.000 0.283 378 H C 1.259 176.152 175.328 -0.726 0.000 1.015 378 H CA 1.744 57.260 56.048 -0.886 0.000 1.298 378 H CB -0.215 28.478 29.762 -1.782 0.000 1.411 378 H HN 0.318 nan 8.280 nan 0.000 0.556 379 Y N -0.413 119.601 120.300 -0.476 0.000 2.177 379 Y HA -0.167 4.383 4.550 -0.000 0.000 0.291 379 Y C 2.533 178.230 175.900 -0.338 0.000 1.117 379 Y CA 1.248 59.129 58.100 -0.366 0.000 1.114 379 Y CB -0.330 37.946 38.460 -0.306 0.000 1.017 379 Y HN 0.076 nan 8.280 nan 0.000 0.505 380 V N -1.661 118.118 119.914 -0.224 0.000 2.307 380 V HA -0.186 3.934 4.120 -0.000 0.000 0.245 380 V C 1.972 178.017 176.094 -0.082 0.000 1.045 380 V CA 1.705 63.900 62.300 -0.175 0.000 1.024 380 V CB -1.106 30.558 31.823 -0.265 0.000 0.651 380 V HN 0.336 nan 8.190 nan 0.000 0.449 381 L N 0.631 121.744 121.223 -0.184 0.000 2.121 381 L HA 0.155 4.495 4.340 -0.000 0.000 0.200 381 L C 2.550 179.330 176.870 -0.150 0.000 1.077 381 L CA 2.144 56.884 54.840 -0.167 0.000 0.766 381 L CB -0.672 41.244 42.059 -0.238 0.000 0.931 381 L HN 0.284 nan 8.230 nan 0.000 0.452 382 S N 0.004 115.564 115.700 -0.234 0.000 2.363 382 S HA -0.235 4.235 4.470 -0.000 0.000 0.218 382 S C 1.927 176.499 174.600 -0.046 0.000 1.035 382 S CA 2.264 60.366 58.200 -0.164 0.000 1.043 382 S CB -0.499 62.556 63.200 -0.240 0.000 0.986 382 S HN 0.416 nan 8.310 nan 0.000 0.423 383 M N 1.055 120.567 119.600 -0.147 0.000 2.086 383 M HA -0.058 4.422 4.480 -0.000 0.000 0.261 383 M C 2.540 178.848 176.300 0.015 0.000 1.067 383 M CA 1.565 56.788 55.300 -0.127 0.000 1.116 383 M CB -1.134 31.158 32.600 -0.513 0.000 1.348 383 M HN 0.503 nan 8.290 nan 0.000 0.407 384 G N 0.207 108.988 108.800 -0.032 0.000 2.514 384 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.217 384 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.217 384 G C 1.618 176.784 174.900 0.444 0.000 1.198 384 G CA 1.358 46.533 45.100 0.126 0.000 0.780 384 G HN 0.549 nan 8.290 nan 0.000 0.565 385 A N -0.202 122.757 122.820 0.231 0.000 1.858 385 A HA 0.048 4.368 4.320 -0.000 0.000 0.216 385 A C 2.648 180.355 177.584 0.205 0.000 1.190 385 A CA 2.119 54.260 52.037 0.172 0.000 0.617 385 A CB -0.849 18.172 19.000 0.035 0.000 0.827 385 A HN 0.326 nan 8.150 nan 0.000 0.443 386 V N -1.218 118.831 119.914 0.224 0.000 2.343 386 V HA -0.265 3.855 4.120 -0.000 0.000 0.247 386 V C 2.337 178.591 176.094 0.268 0.000 1.051 386 V CA 2.104 64.538 62.300 0.223 0.000 1.036 386 V CB -0.924 31.053 31.823 0.257 0.000 0.654 386 V HN 0.605 nan 8.190 nan 0.000 0.451 387 F N 0.180 120.269 119.950 0.231 0.000 2.186 387 F HA -0.119 4.408 4.527 -0.000 0.000 0.299 387 F C 2.443 178.376 175.800 0.222 0.000 1.090 387 F CA 1.007 59.236 58.000 0.381 0.000 1.307 387 F CB -0.386 39.014 39.000 0.666 0.000 1.019 387 F HN 0.123 nan 8.300 nan 0.000 0.489 388 A N 0.380 123.421 122.820 0.369 0.000 1.898 388 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 388 A C 2.120 179.671 177.584 -0.055 0.000 1.181 388 A CA 1.362 53.406 52.037 0.012 0.000 0.620 388 A CB -0.959 17.961 19.000 -0.134 0.000 0.819 388 A HN 0.388 nan 8.150 nan 0.000 0.442 389 I N -0.797 119.778 120.570 0.007 0.000 2.226 389 I HA -0.266 3.904 4.170 -0.000 0.000 0.245 389 I C 2.585 178.699 176.117 -0.004 0.000 1.100 389 I CA 1.122 62.445 61.300 0.038 0.000 1.374 389 I CB -0.239 37.836 38.000 0.125 0.000 1.057 389 I HN 0.254 nan 8.210 nan 0.000 0.413 390 M N 0.234 119.669 119.600 -0.274 0.000 2.132 390 M HA -0.084 4.396 4.480 -0.000 0.000 0.263 390 M C 2.413 178.401 176.300 -0.519 0.000 1.065 390 M CA 1.764 56.685 55.300 -0.631 0.000 1.122 390 M CB -1.951 29.554 32.600 -1.825 0.000 1.365 390 M HN 0.299 nan 8.290 nan 0.000 0.411 391 G N -0.251 108.330 108.800 -0.364 0.000 2.446 391 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.217 391 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.217 391 G C 1.588 176.482 174.900 -0.010 0.000 1.168 391 G CA 1.108 46.179 45.100 -0.049 0.000 0.771 391 G HN 0.550 nan 8.290 nan 0.000 0.551 392 G N 0.112 108.881 108.800 -0.052 0.000 2.408 392 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.217 392 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.217 392 G C 1.617 176.738 174.900 0.368 0.000 1.150 392 G CA 0.847 45.950 45.100 0.005 0.000 0.776 392 G HN 0.341 nan 8.290 nan 0.000 0.542 393 F N 1.740 121.889 119.950 0.332 0.000 2.102 393 F HA -0.141 4.386 4.527 -0.000 0.000 0.298 393 F C 2.749 178.691 175.800 0.236 0.000 1.105 393 F CA 1.970 60.240 58.000 0.450 0.000 1.239 393 F CB -0.394 38.782 39.000 0.294 0.000 0.991 393 F HN 0.069 nan 8.300 nan 0.000 0.474 394 V N -1.194 118.817 119.914 0.161 0.000 2.548 394 V HA -0.220 3.900 4.120 -0.000 0.000 0.249 394 V C 2.389 178.501 176.094 0.030 0.000 1.055 394 V CA 2.376 64.708 62.300 0.054 0.000 1.065 394 V CB -1.224 30.702 31.823 0.172 0.000 0.681 394 V HN 0.527 nan 8.190 nan 0.000 0.462 395 H N -0.848 118.177 119.070 -0.074 0.000 2.357 395 H HA -0.099 4.457 4.556 -0.000 0.000 0.301 395 H C 1.788 176.979 175.328 -0.228 0.000 1.082 395 H CA 2.418 58.343 56.048 -0.207 0.000 1.342 395 H CB -0.210 29.269 29.762 -0.471 0.000 1.389 395 H HN 0.588 nan 8.280 nan 0.000 0.511 396 W N -0.580 120.491 121.300 -0.382 0.000 3.211 396 W HA 0.060 4.720 4.660 -0.000 0.000 0.292 396 W C 1.503 177.315 176.519 -1.179 0.000 1.268 396 W CA -0.324 56.482 57.345 -0.898 0.000 1.702 396 W CB -0.769 28.015 29.460 -1.126 0.000 1.092 396 W HN 0.197 nan 8.180 nan 0.000 0.643 397 F N 2.888 122.413 119.950 -0.709 0.000 2.091 397 F HA -0.178 4.349 4.527 -0.000 0.000 0.299 397 F C -0.771 174.742 175.800 -0.478 0.000 1.103 397 F CA 1.900 59.468 58.000 -0.721 0.000 1.228 397 F CB -1.438 37.099 39.000 -0.772 0.000 0.984 397 F HN -0.256 nan 8.300 nan 0.000 0.477 398 P HA -0.175 nan 4.420 nan 0.000 0.218 398 P C 1.809 178.966 177.300 -0.238 0.000 1.149 398 P CA 1.318 64.326 63.100 -0.153 0.000 0.817 398 P CB -0.116 31.651 31.700 0.112 0.000 0.785 399 L N -1.684 119.275 121.223 -0.440 0.000 2.027 399 L HA -0.081 4.259 4.340 -0.000 0.000 0.206 399 L C 1.978 178.514 176.870 -0.556 0.000 1.074 399 L CA 1.994 56.434 54.840 -0.667 0.000 0.745 399 L CB -1.277 39.932 42.059 -1.417 0.000 0.898 399 L HN -0.172 nan 8.230 nan 0.000 0.433 400 F N -0.196 119.227 119.950 -0.878 0.000 2.186 400 F HA -0.075 4.452 4.527 -0.000 0.000 0.299 400 F C 2.816 178.261 175.800 -0.591 0.000 1.090 400 F CA 1.042 58.375 58.000 -1.112 0.000 1.307 400 F CB -1.671 36.597 39.000 -1.220 0.000 1.019 400 F HN 0.398 nan 8.300 nan 0.000 0.489 401 S N -1.524 113.861 115.700 -0.526 0.000 2.475 401 S HA 0.412 4.882 4.470 -0.000 0.000 0.224 401 S C 1.862 176.126 174.600 -0.560 0.000 1.042 401 S CA 0.546 58.449 58.200 -0.495 0.000 0.935 401 S CB 0.288 62.956 63.200 -0.886 0.000 0.801 401 S HN 0.531 nan 8.310 nan 0.000 0.509 402 G N -0.043 108.462 108.800 -0.492 0.000 2.175 402 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.244 402 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.244 402 G C -0.263 174.398 174.900 -0.398 0.000 0.982 402 G CA 0.292 45.141 45.100 -0.418 0.000 0.641 402 G HN 0.518 nan 8.290 nan 0.000 0.527 403 Y N 1.006 121.202 120.300 -0.175 0.000 2.509 403 Y HA 0.696 5.246 4.550 -0.000 0.000 0.341 403 Y C 0.911 176.815 175.900 0.007 0.000 1.038 403 Y CA -0.741 57.310 58.100 -0.083 0.000 1.089 403 Y CB 1.605 40.003 38.460 -0.103 0.000 1.241 403 Y HN 0.301 nan 8.280 nan 0.000 0.468 404 T N 0.027 114.718 114.554 0.228 0.000 2.928 404 T HA 0.766 5.116 4.350 -0.000 0.000 0.284 404 T C -0.329 174.439 174.700 0.114 0.000 1.008 404 T CA -0.810 61.387 62.100 0.160 0.000 1.057 404 T CB 0.850 69.773 68.868 0.092 0.000 1.018 404 T HN 0.481 nan 8.240 nan 0.000 0.493 405 L N 1.768 123.026 121.223 0.058 0.000 2.431 405 L HA 0.454 4.794 4.340 -0.000 0.000 0.260 405 L C 1.006 177.887 176.870 0.017 0.000 1.098 405 L CA -1.187 53.620 54.840 -0.055 0.000 0.800 405 L CB 0.660 42.642 42.059 -0.128 0.000 1.210 405 L HN 0.720 nan 8.230 nan 0.000 0.465 406 N N 0.626 119.356 118.700 0.049 0.000 2.406 406 N HA -0.005 4.735 4.740 -0.000 0.000 0.251 406 N C -0.018 175.585 175.510 0.154 0.000 1.069 406 N CA -0.176 52.954 53.050 0.133 0.000 0.947 406 N CB 1.191 39.846 38.487 0.280 0.000 1.111 406 N HN 0.533 nan 8.380 nan 0.000 0.497 407 D N 2.331 122.791 120.400 0.100 0.000 2.133 407 D HA -0.140 4.500 4.640 -0.000 0.000 0.195 407 D C 1.267 177.628 176.300 0.102 0.000 0.997 407 D CA 1.679 55.734 54.000 0.091 0.000 0.840 407 D CB 0.104 40.935 40.800 0.052 0.000 0.947 407 D HN 0.570 nan 8.370 nan 0.000 0.452 408 T N -0.816 113.777 114.554 0.065 0.000 2.708 408 T HA -0.167 4.183 4.350 -0.000 0.000 0.266 408 T C 1.780 176.536 174.700 0.093 0.000 1.037 408 T CA 1.004 63.108 62.100 0.007 0.000 1.146 408 T CB -0.596 68.203 68.868 -0.115 0.000 0.865 408 T HN 0.346 nan 8.240 nan 0.000 0.435 409 W N 1.294 122.657 121.300 0.105 0.000 2.338 409 W HA -0.053 4.607 4.660 -0.000 0.000 0.304 409 W C 2.861 179.492 176.519 0.186 0.000 1.212 409 W CA 0.509 57.947 57.345 0.155 0.000 1.264 409 W CB -0.261 29.299 29.460 0.167 0.000 1.142 409 W HN 0.231 nan 8.180 nan 0.000 0.512 410 A N 0.391 123.454 122.820 0.406 0.000 1.933 410 A HA -0.209 4.111 4.320 -0.000 0.000 0.218 410 A C 1.819 179.619 177.584 0.361 0.000 1.175 410 A CA 1.778 54.045 52.037 0.382 0.000 0.628 410 A CB -0.568 18.601 19.000 0.281 0.000 0.814 410 A HN 0.307 nan 8.150 nan 0.000 0.444 411 K N -0.554 119.983 120.400 0.228 0.000 2.155 411 K HA 0.053 4.373 4.320 -0.000 0.000 0.203 411 K C 1.714 178.430 176.600 0.194 0.000 1.052 411 K CA 1.199 57.576 56.287 0.150 0.000 0.948 411 K CB -0.281 32.255 32.500 0.060 0.000 0.728 411 K HN 0.504 nan 8.250 nan 0.000 0.448 412 I N 0.729 121.435 120.570 0.227 0.000 2.226 412 I HA -0.308 3.862 4.170 -0.000 0.000 0.245 412 I C 2.699 178.977 176.117 0.269 0.000 1.100 412 I CA 1.274 62.710 61.300 0.226 0.000 1.374 412 I CB -0.387 37.787 38.000 0.289 0.000 1.057 412 I HN 0.334 nan 8.210 nan 0.000 0.413 413 H N 0.706 119.944 119.070 0.279 0.000 2.319 413 H HA -0.286 4.270 4.556 -0.000 0.000 0.299 413 H C 2.300 177.743 175.328 0.191 0.000 1.092 413 H CA 2.277 58.492 56.048 0.279 0.000 1.302 413 H CB -0.193 29.786 29.762 0.362 0.000 1.373 413 H HN 0.333 nan 8.280 nan 0.000 0.497 414 F N 1.546 121.359 119.950 -0.228 0.000 2.095 414 F HA -0.170 4.357 4.527 -0.000 0.000 0.298 414 F C 2.633 178.198 175.800 -0.391 0.000 1.104 414 F CA 1.756 59.300 58.000 -0.759 0.000 1.232 414 F CB -0.812 37.617 39.000 -0.952 0.000 0.987 414 F HN 0.234 nan 8.300 nan 0.000 0.475 415 A N 0.994 123.632 122.820 -0.303 0.000 1.883 415 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 415 A C 2.315 179.800 177.584 -0.164 0.000 1.186 415 A CA 2.175 54.061 52.037 -0.251 0.000 0.624 415 A CB -1.320 17.660 19.000 -0.034 0.000 0.822 415 A HN 0.524 nan 8.150 nan 0.000 0.444 416 I N -1.568 118.957 120.570 -0.075 0.000 2.179 416 I HA -0.292 3.878 4.170 -0.000 0.000 0.242 416 I C 2.661 178.759 176.117 -0.032 0.000 1.088 416 I CA 1.981 63.278 61.300 -0.004 0.000 1.357 416 I CB -0.305 37.741 38.000 0.075 0.000 1.051 416 I HN 0.382 nan 8.210 nan 0.000 0.409 417 M N 0.477 120.010 119.600 -0.112 0.000 2.117 417 M HA -0.243 4.237 4.480 -0.000 0.000 0.262 417 M C 2.090 178.392 176.300 0.003 0.000 1.065 417 M CA 1.864 57.133 55.300 -0.050 0.000 1.114 417 M CB -0.657 31.892 32.600 -0.084 0.000 1.361 417 M HN 0.186 nan 8.290 nan 0.000 0.408 418 F N -0.598 119.168 119.950 -0.307 0.000 2.126 418 F HA -0.196 4.331 4.527 -0.000 0.000 0.299 418 F C 1.887 177.650 175.800 -0.062 0.000 1.096 418 F CA 1.727 59.619 58.000 -0.179 0.000 1.255 418 F CB -0.388 38.280 39.000 -0.554 0.000 0.997 418 F HN -0.031 nan 8.300 nan 0.000 0.479 419 V N 0.074 120.029 119.914 0.068 0.000 2.307 419 V HA -0.213 3.907 4.120 -0.000 0.000 0.245 419 V C 2.738 178.823 176.094 -0.015 0.000 1.045 419 V CA 1.928 64.254 62.300 0.044 0.000 1.024 419 V CB -1.578 30.282 31.823 0.062 0.000 0.651 419 V HN 0.521 nan 8.190 nan 0.000 0.449 420 G N 0.663 109.463 108.800 0.000 0.000 2.459 420 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.217 420 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.217 420 G C 1.772 176.648 174.900 -0.040 0.000 1.183 420 G CA 1.777 46.876 45.100 -0.001 0.000 0.776 420 G HN 0.576 nan 8.290 nan 0.000 0.552 421 V N -0.630 119.277 119.914 -0.011 0.000 2.407 421 V HA -0.155 3.965 4.120 -0.000 0.000 0.248 421 V C 2.227 178.276 176.094 -0.073 0.000 1.055 421 V CA 2.163 64.473 62.300 0.016 0.000 1.049 421 V CB -0.657 31.226 31.823 0.101 0.000 0.662 421 V HN 0.284 nan 8.190 nan 0.000 0.455 422 N N 0.073 118.678 118.700 -0.158 0.000 2.216 422 N HA -0.072 4.668 4.740 -0.000 0.000 0.183 422 N C 1.844 177.367 175.510 0.022 0.000 1.017 422 N CA 2.001 55.001 53.050 -0.083 0.000 0.861 422 N CB -0.191 38.189 38.487 -0.178 0.000 0.986 422 N HN 0.595 nan 8.380 nan 0.000 0.428 423 M N 0.806 120.389 119.600 -0.028 0.000 2.175 423 M HA -0.099 4.381 4.480 -0.000 0.000 0.264 423 M C 1.574 177.826 176.300 -0.080 0.000 1.063 423 M CA 1.215 56.514 55.300 -0.002 0.000 1.119 423 M CB -0.032 32.567 32.600 -0.001 0.000 1.377 423 M HN -0.017 nan 8.290 nan 0.000 0.415 424 T N 0.147 114.560 114.554 -0.236 0.000 2.732 424 T HA -0.061 4.289 4.350 -0.000 0.000 0.261 424 T C 1.209 175.529 174.700 -0.634 0.000 1.040 424 T CA 1.561 63.339 62.100 -0.537 0.000 1.145 424 T CB -0.368 67.925 68.868 -0.959 0.000 0.866 424 T HN 0.410 nan 8.240 nan 0.000 0.427 425 F N -0.479 119.407 119.950 -0.108 0.000 2.530 425 F HA 0.318 4.845 4.527 -0.000 0.000 0.292 425 F C 1.857 177.641 175.800 -0.027 0.000 1.109 425 F CA -0.435 57.491 58.000 -0.124 0.000 1.450 425 F CB -0.338 38.533 39.000 -0.214 0.000 1.114 425 F HN 0.011 nan 8.300 nan 0.000 0.560 426 F N 2.707 122.740 119.950 0.138 0.000 2.095 426 F HA -0.082 4.445 4.527 -0.000 0.000 0.298 426 F C -0.843 174.768 175.800 -0.315 0.000 1.104 426 F CA 1.215 59.256 58.000 0.068 0.000 1.232 426 F CB -1.647 37.362 39.000 0.016 0.000 0.987 426 F HN -0.144 nan 8.300 nan 0.000 0.475 427 P HA -0.168 nan 4.420 nan 0.000 0.222 427 P C 1.087 178.025 177.300 -0.604 0.000 1.147 427 P CA 1.508 64.233 63.100 -0.625 0.000 0.790 427 P CB -0.215 31.433 31.700 -0.087 0.000 0.780 428 Q N -1.751 117.784 119.800 -0.441 0.000 2.364 428 Q HA -0.184 4.156 4.340 -0.000 0.000 0.207 428 Q C 1.649 177.405 176.000 -0.407 0.000 0.970 428 Q CA 1.061 56.664 55.803 -0.332 0.000 0.888 428 Q CB -0.622 28.031 28.738 -0.141 0.000 0.951 428 Q HN 0.532 nan 8.270 nan 0.000 0.469 429 H N -0.762 117.916 119.070 -0.654 0.000 2.357 429 H HA -0.119 4.437 4.556 -0.000 0.000 0.301 429 H C 1.446 176.597 175.328 -0.296 0.000 1.082 429 H CA 1.525 57.198 56.048 -0.624 0.000 1.342 429 H CB 0.028 29.181 29.762 -1.015 0.000 1.389 429 H HN 0.188 nan 8.280 nan 0.000 0.511 430 F N 0.446 120.230 119.950 -0.276 0.000 2.102 430 F HA -0.149 4.378 4.527 -0.000 0.000 0.298 430 F C 2.266 178.027 175.800 -0.065 0.000 1.105 430 F CA 0.885 58.728 58.000 -0.261 0.000 1.239 430 F CB -1.094 37.477 39.000 -0.714 0.000 0.991 430 F HN 0.088 nan 8.300 nan 0.000 0.474 431 L N -0.333 120.945 121.223 0.091 0.000 2.079 431 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 431 L C 2.720 179.614 176.870 0.039 0.000 1.081 431 L CA 1.504 56.381 54.840 0.060 0.000 0.752 431 L CB -1.367 40.609 42.059 -0.138 0.000 0.896 431 L HN 0.293 nan 8.230 nan 0.000 0.433 432 G N -0.191 108.664 108.800 0.092 0.000 2.394 432 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.214 432 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.214 432 G C 1.611 176.590 174.900 0.132 0.000 1.176 432 G CA 0.295 45.478 45.100 0.138 0.000 0.786 432 G HN 0.199 nan 8.290 nan 0.000 0.533 433 L N 1.628 122.959 121.223 0.180 0.000 2.079 433 L HA -0.116 4.224 4.340 -0.000 0.000 0.210 433 L C 3.032 179.969 176.870 0.111 0.000 1.081 433 L CA 1.599 56.504 54.840 0.108 0.000 0.752 433 L CB -0.392 41.754 42.059 0.145 0.000 0.896 433 L HN 0.435 nan 8.230 nan 0.000 0.433 434 S N -0.884 114.922 115.700 0.177 0.000 2.603 434 S HA 0.165 4.635 4.470 -0.000 0.000 0.220 434 S C 1.407 176.170 174.600 0.271 0.000 0.967 434 S CA 0.351 58.691 58.200 0.234 0.000 0.920 434 S CB 0.360 63.760 63.200 0.334 0.000 0.773 434 S HN 0.584 nan 8.310 nan 0.000 0.529 435 G N 0.982 109.871 108.800 0.149 0.000 2.159 435 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.227 435 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.227 435 G C -0.094 174.777 174.900 -0.048 0.000 0.986 435 G CA 0.059 45.218 45.100 0.098 0.000 0.651 435 G HN 0.583 nan 8.290 nan 0.000 0.523 436 M N 1.739 121.146 119.600 -0.322 0.000 2.227 436 M HA 0.371 4.851 4.480 -0.000 0.000 0.349 436 M C -2.120 174.032 176.300 -0.245 0.000 1.443 436 M CA -1.427 53.527 55.300 -0.578 0.000 1.110 436 M CB 0.661 32.710 32.600 -0.919 0.000 1.773 436 M HN -0.035 nan 8.290 nan 0.000 0.463 437 P HA 0.160 nan 4.420 nan 0.000 0.272 437 P C -1.063 176.026 177.300 -0.351 0.000 1.223 437 P CA -0.005 62.791 63.100 -0.507 0.000 0.784 437 P CB 0.575 31.597 31.700 -1.130 0.000 0.923 438 R N 1.337 121.657 120.500 -0.301 0.000 2.580 438 R HA 0.401 4.741 4.340 -0.000 0.000 0.267 438 R C 0.461 176.751 176.300 -0.017 0.000 1.125 438 R CA -0.617 55.317 56.100 -0.278 0.000 1.188 438 R CB 0.069 30.215 30.300 -0.255 0.000 1.155 438 R HN 0.355 nan 8.270 nan 0.000 0.586 439 R N -0.836 119.751 120.500 0.146 0.000 3.641 439 R HA -0.238 4.102 4.340 -0.000 0.000 0.286 439 R C -1.047 175.600 176.300 0.579 0.000 1.153 439 R CA 0.839 57.141 56.100 0.337 0.000 0.775 439 R CB -1.916 28.514 30.300 0.217 0.000 1.215 439 R HN 0.533 nan 8.270 nan 0.000 0.474 440 Y N -0.820 119.647 120.300 0.278 0.000 2.360 440 Y HA 0.143 4.693 4.550 -0.000 0.000 0.337 440 Y C 1.659 177.525 175.900 -0.056 0.000 1.039 440 Y CA -0.272 57.919 58.100 0.152 0.000 1.109 440 Y CB 1.661 40.217 38.460 0.159 0.000 1.201 440 Y HN 0.157 nan 8.280 nan 0.000 0.458 441 S N 0.081 115.637 115.700 -0.241 0.000 2.501 441 S HA 0.042 4.512 4.470 -0.000 0.000 0.220 441 S C -0.101 174.280 174.600 -0.365 0.000 0.997 441 S CA 0.339 58.112 58.200 -0.712 0.000 0.919 441 S CB 0.240 63.106 63.200 -0.557 0.000 0.778 441 S HN 0.706 nan 8.310 nan 0.000 0.523 442 D N -0.531 119.755 120.400 -0.191 0.000 2.599 442 D HA 0.517 5.157 4.640 -0.000 0.000 0.252 442 D C -1.752 174.522 176.300 -0.044 0.000 1.232 442 D CA -0.714 53.124 54.000 -0.269 0.000 0.819 442 D CB 1.764 42.385 40.800 -0.299 0.000 1.401 442 D HN 0.245 nan 8.370 nan 0.000 0.429 443 Y N -2.100 118.259 120.300 0.098 0.000 2.597 443 Y HA 0.721 5.271 4.550 -0.000 0.000 0.340 443 Y C -2.719 173.319 175.900 0.231 0.000 1.097 443 Y CA -2.392 55.848 58.100 0.233 0.000 1.037 443 Y CB -0.045 38.563 38.460 0.246 0.000 1.305 443 Y HN 0.040 nan 8.280 nan 0.000 0.463 444 P HA 0.055 nan 4.420 nan 0.000 0.267 444 P C 0.091 177.538 177.300 0.245 0.000 1.200 444 P CA 0.287 63.546 63.100 0.265 0.000 0.772 444 P CB 0.847 32.680 31.700 0.221 0.000 0.855 445 D N 1.798 122.249 120.400 0.085 0.000 2.172 445 D HA -0.210 4.430 4.640 -0.000 0.000 0.196 445 D C 1.866 178.163 176.300 -0.005 0.000 0.999 445 D CA 1.951 55.987 54.000 0.059 0.000 0.856 445 D CB -0.694 40.104 40.800 -0.004 0.000 0.934 445 D HN 0.388 nan 8.370 nan 0.000 0.453 446 A N 0.009 122.730 122.820 -0.167 0.000 2.032 446 A HA -0.216 4.104 4.320 -0.000 0.000 0.221 446 A C 1.444 178.870 177.584 -0.264 0.000 1.165 446 A CA 1.097 52.968 52.037 -0.277 0.000 0.645 446 A CB -0.900 17.851 19.000 -0.415 0.000 0.807 446 A HN 0.304 nan 8.150 nan 0.000 0.453 447 Y N 0.141 120.464 120.300 0.039 0.000 2.490 447 Y HA 0.039 4.589 4.550 -0.000 0.000 0.281 447 Y C 2.431 178.190 175.900 -0.236 0.000 1.174 447 Y CA 0.565 58.616 58.100 -0.081 0.000 1.295 447 Y CB -1.154 37.219 38.460 -0.146 0.000 1.062 447 Y HN 0.224 nan 8.280 nan 0.000 0.522 448 T N 0.265 114.842 114.554 0.038 0.000 2.684 448 T HA -0.322 4.028 4.350 -0.000 0.000 0.267 448 T C 2.067 176.702 174.700 -0.109 0.000 1.036 448 T CA 1.863 63.991 62.100 0.046 0.000 1.148 448 T CB -0.265 68.666 68.868 0.106 0.000 0.863 448 T HN 0.445 nan 8.240 nan 0.000 0.436 449 M N -0.420 119.027 119.600 -0.255 0.000 2.065 449 M HA -0.121 4.359 4.480 -0.000 0.000 0.259 449 M C 1.976 178.124 176.300 -0.253 0.000 1.071 449 M CA 1.920 56.987 55.300 -0.389 0.000 1.109 449 M CB -0.283 31.868 32.600 -0.749 0.000 1.313 449 M HN 0.410 nan 8.290 nan 0.000 0.408 450 W N 0.471 121.754 121.300 -0.027 0.000 2.363 450 W HA -0.151 4.509 4.660 -0.000 0.000 0.296 450 W C 2.198 178.632 176.519 -0.143 0.000 1.212 450 W CA 0.233 57.561 57.345 -0.028 0.000 1.260 450 W CB -0.669 28.815 29.460 0.040 0.000 1.131 450 W HN 0.343 nan 8.180 nan 0.000 0.530 451 N N -0.109 118.560 118.700 -0.053 0.000 2.244 451 N HA -0.109 4.631 4.740 -0.000 0.000 0.183 451 N C 1.511 176.969 175.510 -0.086 0.000 1.016 451 N CA 1.893 54.820 53.050 -0.206 0.000 0.866 451 N CB -0.461 37.718 38.487 -0.513 0.000 0.980 451 N HN 0.115 nan 8.380 nan 0.000 0.430 452 T N 1.895 116.422 114.554 -0.045 0.000 2.737 452 T HA 0.014 4.364 4.350 -0.000 0.000 0.265 452 T C 2.145 176.829 174.700 -0.026 0.000 1.038 452 T CA 0.662 62.743 62.100 -0.032 0.000 1.144 452 T CB -0.096 68.749 68.868 -0.039 0.000 0.866 452 T HN 0.164 nan 8.240 nan 0.000 0.434 453 I N 1.097 121.683 120.570 0.027 0.000 2.226 453 I HA -0.179 3.991 4.170 -0.000 0.000 0.245 453 I C 2.805 178.928 176.117 0.010 0.000 1.100 453 I CA 1.006 62.343 61.300 0.063 0.000 1.374 453 I CB -0.448 37.675 38.000 0.205 0.000 1.057 453 I HN 0.248 nan 8.210 nan 0.000 0.413 454 S N 0.308 115.996 115.700 -0.020 0.000 2.359 454 S HA -0.196 4.274 4.470 -0.000 0.000 0.224 454 S C 2.212 176.722 174.600 -0.150 0.000 1.035 454 S CA 2.151 60.272 58.200 -0.131 0.000 1.018 454 S CB -0.197 62.889 63.200 -0.189 0.000 0.876 454 S HN 0.408 nan 8.310 nan 0.000 0.448 455 S N 0.902 116.539 115.700 -0.104 0.000 2.423 455 S HA 0.059 4.529 4.470 -0.000 0.000 0.231 455 S C 1.831 176.378 174.600 -0.087 0.000 1.014 455 S CA 1.263 59.413 58.200 -0.082 0.000 0.965 455 S CB -0.317 62.841 63.200 -0.070 0.000 0.785 455 S HN 0.514 nan 8.310 nan 0.000 0.495 456 M N 0.831 120.374 119.600 -0.095 0.000 2.123 456 M HA -0.010 4.470 4.480 -0.000 0.000 0.263 456 M C 2.522 178.821 176.300 -0.000 0.000 1.069 456 M CA 1.425 56.672 55.300 -0.088 0.000 1.133 456 M CB -0.791 31.770 32.600 -0.066 0.000 1.356 456 M HN 0.443 nan 8.290 nan 0.000 0.415 457 G N -0.097 108.687 108.800 -0.028 0.000 2.450 457 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.220 457 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.220 457 G C 1.603 176.490 174.900 -0.022 0.000 1.130 457 G CA 1.333 46.412 45.100 -0.035 0.000 0.760 457 G HN 0.559 nan 8.290 nan 0.000 0.557 458 S N -0.344 115.339 115.700 -0.028 0.000 2.419 458 S HA 0.004 4.474 4.470 -0.000 0.000 0.233 458 S C 2.086 176.787 174.600 0.169 0.000 1.016 458 S CA 0.850 59.062 58.200 0.019 0.000 0.974 458 S CB -0.528 62.676 63.200 0.007 0.000 0.786 458 S HN 0.360 nan 8.310 nan 0.000 0.492 459 F N 1.101 121.026 119.950 -0.041 0.000 2.293 459 F HA 0.240 4.767 4.527 -0.000 0.000 0.297 459 F C 2.163 177.964 175.800 0.002 0.000 1.089 459 F CA 0.523 58.515 58.000 -0.013 0.000 1.377 459 F CB -0.105 38.889 39.000 -0.010 0.000 1.051 459 F HN 0.195 nan 8.300 nan 0.000 0.511 460 I N -0.882 119.787 120.570 0.165 0.000 2.226 460 I HA -0.308 3.862 4.170 -0.000 0.000 0.245 460 I C 2.310 178.470 176.117 0.073 0.000 1.100 460 I CA 1.198 62.557 61.300 0.099 0.000 1.374 460 I CB -0.529 37.513 38.000 0.071 0.000 1.057 460 I HN -0.010 nan 8.210 nan 0.000 0.413 461 S N 0.882 116.620 115.700 0.064 0.000 2.399 461 S HA -0.155 4.315 4.470 -0.000 0.000 0.231 461 S C 1.901 176.535 174.600 0.058 0.000 1.022 461 S CA 1.103 59.347 58.200 0.073 0.000 0.983 461 S CB -0.377 62.872 63.200 0.082 0.000 0.803 461 S HN 0.345 nan 8.310 nan 0.000 0.480 462 L N 2.073 123.295 121.223 -0.002 0.000 2.046 462 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 462 L C 2.097 178.951 176.870 -0.028 0.000 1.077 462 L CA 1.915 56.715 54.840 -0.066 0.000 0.747 462 L CB -1.457 40.456 42.059 -0.242 0.000 0.896 462 L HN 0.164 nan 8.230 nan 0.000 0.432 463 T N 0.047 114.601 114.554 -0.001 0.000 2.788 463 T HA -0.121 4.229 4.350 -0.000 0.000 0.268 463 T C 1.917 176.673 174.700 0.095 0.000 1.044 463 T CA 1.272 63.392 62.100 0.034 0.000 1.139 463 T CB -0.527 68.374 68.868 0.054 0.000 0.867 463 T HN 0.556 nan 8.240 nan 0.000 0.454 464 A N 0.926 123.827 122.820 0.136 0.000 1.930 464 A HA -0.001 4.319 4.320 -0.000 0.000 0.217 464 A C 2.558 180.321 177.584 0.297 0.000 1.175 464 A CA 1.094 53.289 52.037 0.262 0.000 0.627 464 A CB -0.845 18.279 19.000 0.208 0.000 0.815 464 A HN 0.364 nan 8.150 nan 0.000 0.443 465 V N 0.092 120.110 119.914 0.172 0.000 2.358 465 V HA -0.303 3.817 4.120 -0.000 0.000 0.246 465 V C 2.624 178.746 176.094 0.047 0.000 1.047 465 V CA 2.164 64.531 62.300 0.111 0.000 1.035 465 V CB -0.756 31.100 31.823 0.054 0.000 0.658 465 V HN 0.565 nan 8.190 nan 0.000 0.452 466 M N -0.872 118.747 119.600 0.032 0.000 2.175 466 M HA -0.149 4.331 4.480 -0.000 0.000 0.264 466 M C 2.244 178.563 176.300 0.032 0.000 1.063 466 M CA 1.671 56.976 55.300 0.008 0.000 1.119 466 M CB -0.491 32.098 32.600 -0.019 0.000 1.377 466 M HN 0.338 nan 8.290 nan 0.000 0.415 467 L N 0.687 121.948 121.223 0.063 0.000 2.083 467 L HA -0.160 4.180 4.340 -0.000 0.000 0.209 467 L C 2.463 179.345 176.870 0.020 0.000 1.083 467 L CA 1.647 56.536 54.840 0.081 0.000 0.752 467 L CB -0.556 41.599 42.059 0.160 0.000 0.899 467 L HN 0.291 nan 8.230 nan 0.000 0.433 468 M N -1.711 117.821 119.600 -0.114 0.000 2.108 468 M HA -0.197 4.283 4.480 -0.000 0.000 0.261 468 M C 1.990 178.204 176.300 -0.144 0.000 1.066 468 M CA 2.028 57.131 55.300 -0.329 0.000 1.107 468 M CB -0.121 32.222 32.600 -0.428 0.000 1.356 468 M HN 0.163 nan 8.290 nan 0.000 0.406 469 V N 0.740 120.627 119.914 -0.045 0.000 2.343 469 V HA -0.283 3.837 4.120 -0.000 0.000 0.247 469 V C 2.222 178.350 176.094 0.057 0.000 1.051 469 V CA 2.149 64.457 62.300 0.013 0.000 1.036 469 V CB -1.141 30.698 31.823 0.027 0.000 0.654 469 V HN 0.632 nan 8.190 nan 0.000 0.451 470 F N 0.888 120.800 119.950 -0.063 0.000 2.102 470 F HA -0.176 4.351 4.527 -0.000 0.000 0.298 470 F C 2.100 177.888 175.800 -0.019 0.000 1.105 470 F CA 1.676 59.651 58.000 -0.042 0.000 1.239 470 F CB -0.373 38.512 39.000 -0.192 0.000 0.991 470 F HN 0.078 nan 8.300 nan 0.000 0.474 471 I N 0.342 120.619 120.570 -0.488 0.000 2.264 471 I HA -0.319 3.851 4.170 -0.000 0.000 0.248 471 I C 2.369 178.236 176.117 -0.417 0.000 1.111 471 I CA 1.514 62.475 61.300 -0.566 0.000 1.382 471 I CB -0.524 37.319 38.000 -0.261 0.000 1.060 471 I HN 0.213 nan 8.210 nan 0.000 0.418 472 I N -0.602 119.828 120.570 -0.233 0.000 2.286 472 I HA -0.271 3.899 4.170 -0.000 0.000 0.245 472 I C 2.453 178.569 176.117 -0.001 0.000 1.104 472 I CA 1.288 62.497 61.300 -0.153 0.000 1.397 472 I CB -0.410 37.637 38.000 0.078 0.000 1.072 472 I HN 0.400 nan 8.210 nan 0.000 0.417 473 W N 2.346 123.573 121.300 -0.122 0.000 2.335 473 W HA -0.243 4.417 4.660 -0.000 0.000 0.311 473 W C 2.490 178.924 176.519 -0.141 0.000 1.213 473 W CA 1.757 59.075 57.345 -0.045 0.000 1.274 473 W CB -0.231 29.181 29.460 -0.081 0.000 1.148 473 W HN 0.044 nan 8.180 nan 0.000 0.498 474 E N 0.762 120.636 120.200 -0.543 0.000 2.118 474 E HA -0.240 4.110 4.350 -0.000 0.000 0.195 474 E C 2.106 178.370 176.600 -0.559 0.000 0.992 474 E CA 1.831 57.766 56.400 -0.776 0.000 0.804 474 E CB -0.610 28.654 29.700 -0.728 0.000 0.741 474 E HN 0.346 nan 8.360 nan 0.000 0.458 475 A N 0.070 122.636 122.820 -0.423 0.000 1.877 475 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 475 A C 2.187 179.546 177.584 -0.374 0.000 1.186 475 A CA 1.262 53.099 52.037 -0.334 0.000 0.620 475 A CB -1.037 17.753 19.000 -0.349 0.000 0.822 475 A HN 0.326 nan 8.150 nan 0.000 0.443 476 F N -0.144 119.651 119.950 -0.259 0.000 2.293 476 F HA -0.046 4.481 4.527 -0.000 0.000 0.300 476 F C 2.713 178.221 175.800 -0.487 0.000 1.086 476 F CA 0.601 58.415 58.000 -0.311 0.000 1.375 476 F CB 0.022 38.976 39.000 -0.076 0.000 1.045 476 F HN 0.293 nan 8.300 nan 0.000 0.516 477 A N -0.854 121.672 122.820 -0.490 0.000 1.897 477 A HA -0.116 4.204 4.320 -0.000 0.000 0.215 477 A C 2.265 179.600 177.584 -0.414 0.000 1.181 477 A CA 1.844 53.514 52.037 -0.611 0.000 0.620 477 A CB -0.793 17.417 19.000 -1.316 0.000 0.821 477 A HN 0.260 nan 8.150 nan 0.000 0.443 478 S N -0.772 114.686 115.700 -0.402 0.000 2.414 478 S HA 0.042 4.512 4.470 -0.000 0.000 0.227 478 S C 0.414 174.867 174.600 -0.245 0.000 1.022 478 S CA 0.611 58.655 58.200 -0.261 0.000 0.958 478 S CB -0.135 62.946 63.200 -0.198 0.000 0.797 478 S HN 0.568 nan 8.310 nan 0.000 0.493 479 K N 1.099 121.249 120.400 -0.417 0.000 3.393 479 K HA -0.159 4.161 4.320 -0.000 0.000 0.272 479 K C -0.938 175.597 176.600 -0.109 0.000 1.004 479 K CA 0.289 56.275 56.287 -0.501 0.000 0.764 479 K CB -1.192 31.131 32.500 -0.295 0.000 1.373 479 K HN 0.368 nan 8.250 nan 0.000 0.458 480 R N 1.795 122.274 120.500 -0.035 0.000 2.248 480 R HA 0.111 4.451 4.340 -0.000 0.000 0.337 480 R C -0.049 176.379 176.300 0.212 0.000 1.106 480 R CA -0.210 55.936 56.100 0.076 0.000 0.959 480 R CB 0.502 30.828 30.300 0.044 0.000 1.075 480 R HN 0.240 nan 8.270 nan 0.000 0.480 481 E N 2.012 122.340 120.200 0.213 0.000 2.338 481 E HA 0.074 4.424 4.350 -0.000 0.000 0.272 481 E C -0.070 176.588 176.600 0.096 0.000 1.029 481 E CA -0.426 56.085 56.400 0.185 0.000 0.872 481 E CB 1.355 31.141 29.700 0.144 0.000 1.015 481 E HN 0.199 nan 8.360 nan 0.000 0.417 482 V N 4.826 124.778 119.914 0.064 0.000 2.673 482 V HA -0.087 4.033 4.120 -0.000 0.000 0.303 482 V C 1.169 177.287 176.094 0.040 0.000 1.046 482 V CA 0.683 63.011 62.300 0.048 0.000 1.126 482 V CB 0.436 32.290 31.823 0.051 0.000 0.934 482 V HN 0.733 nan 8.190 nan 0.000 0.487 483 L N 2.337 123.579 121.223 0.031 0.000 2.541 483 L HA 0.258 4.598 4.340 -0.000 0.000 0.187 483 L C 0.819 177.702 176.870 0.022 0.000 1.098 483 L CA 0.669 55.526 54.840 0.027 0.000 0.846 483 L CB 0.606 42.679 42.059 0.023 0.000 1.151 483 L HN 0.649 nan 8.230 nan 0.000 0.492 484 T N 0.078 114.635 114.554 0.005 0.000 2.893 484 T HA 0.601 4.951 4.350 -0.000 0.000 0.291 484 T C -1.000 173.668 174.700 -0.053 0.000 1.028 484 T CA -0.270 61.824 62.100 -0.010 0.000 0.995 484 T CB 2.921 71.783 68.868 -0.010 0.000 1.051 484 T HN -0.258 nan 8.240 nan 0.000 0.470 485 V N 2.656 122.526 119.914 -0.075 0.000 2.638 485 V HA 0.395 4.515 4.120 -0.000 0.000 0.306 485 V C -0.446 175.574 176.094 -0.123 0.000 1.052 485 V CA -0.923 61.266 62.300 -0.185 0.000 0.885 485 V CB 2.147 33.750 31.823 -0.367 0.000 0.999 485 V HN 0.833 nan 8.190 nan 0.000 0.424 486 D N 2.636 122.963 120.400 -0.121 0.000 2.358 486 D HA 0.476 5.116 4.640 -0.000 0.000 0.244 486 D C 0.888 177.107 176.300 -0.135 0.000 1.163 486 D CA 0.115 54.041 54.000 -0.125 0.000 0.945 486 D CB 0.944 41.644 40.800 -0.167 0.000 1.152 486 D HN 0.544 nan 8.370 nan 0.000 0.451 487 L N 0.706 121.846 121.223 -0.138 0.000 4.040 487 L HA -0.313 4.027 4.340 -0.000 0.000 0.410 487 L C 1.642 178.545 176.870 0.055 0.000 1.187 487 L CA 0.723 55.500 54.840 -0.104 0.000 0.956 487 L CB -2.409 39.456 42.059 -0.324 0.000 2.022 487 L HN 0.599 nan 8.230 nan 0.000 0.897 488 T N -5.233 109.366 114.554 0.075 0.000 2.962 488 T HA -0.171 4.179 4.350 -0.000 0.000 0.270 488 T C 1.738 176.535 174.700 0.162 0.000 1.088 488 T CA 1.458 63.657 62.100 0.165 0.000 1.127 488 T CB -0.418 68.545 68.868 0.157 0.000 0.883 488 T HN 0.604 nan 8.240 nan 0.000 0.493 489 T N 0.653 115.269 114.554 0.103 0.000 2.929 489 T HA -0.089 4.261 4.350 -0.000 0.000 0.271 489 T C 1.755 176.522 174.700 0.112 0.000 1.085 489 T CA 1.466 63.624 62.100 0.096 0.000 1.125 489 T CB -0.919 67.983 68.868 0.056 0.000 0.874 489 T HN 0.657 nan 8.240 nan 0.000 0.494 490 T N -1.315 113.313 114.554 0.123 0.000 3.200 490 T HA 0.338 4.688 4.350 -0.000 0.000 0.284 490 T C 0.128 174.959 174.700 0.218 0.000 1.009 490 T CA -0.822 61.358 62.100 0.134 0.000 0.907 490 T CB -0.115 68.800 68.868 0.078 0.000 1.120 490 T HN 0.300 nan 8.240 nan 0.000 0.534 491 N N 1.380 120.258 118.700 0.297 0.000 2.716 491 N HA 0.181 4.921 4.740 -0.000 0.000 0.245 491 N C 0.375 176.162 175.510 0.462 0.000 1.495 491 N CA -0.255 53.066 53.050 0.453 0.000 0.759 491 N CB 1.742 40.594 38.487 0.609 0.000 1.261 491 N HN 0.050 nan 8.380 nan 0.000 0.515 492 L N 2.126 123.566 121.223 0.362 0.000 2.129 492 L HA -0.190 4.150 4.340 -0.000 0.000 0.212 492 L C 2.490 179.581 176.870 0.369 0.000 1.087 492 L CA 2.018 57.062 54.840 0.340 0.000 0.757 492 L CB -0.123 42.104 42.059 0.280 0.000 0.896 492 L HN 0.435 nan 8.230 nan 0.000 0.434 493 E N -1.453 118.950 120.200 0.339 0.000 2.265 493 E HA -0.286 4.064 4.350 -0.000 0.000 0.196 493 E C 1.771 178.440 176.600 0.115 0.000 0.996 493 E CA 1.685 58.215 56.400 0.216 0.000 0.832 493 E CB -0.975 28.781 29.700 0.094 0.000 0.756 493 E HN 0.714 nan 8.360 nan 0.000 0.491 494 W N 0.181 121.619 121.300 0.230 0.000 3.003 494 W HA 0.186 4.846 4.660 -0.000 0.000 0.257 494 W C 1.765 178.356 176.519 0.121 0.000 1.308 494 W CA -0.519 56.916 57.345 0.150 0.000 1.529 494 W CB -0.021 29.509 29.460 0.117 0.000 1.115 494 W HN 0.058 nan 8.180 nan 0.000 0.659 495 L N 1.091 122.517 121.223 0.339 0.000 2.450 495 L HA -0.090 4.250 4.340 -0.000 0.000 0.224 495 L C 1.176 178.121 176.870 0.124 0.000 1.149 495 L CA 1.583 56.558 54.840 0.225 0.000 0.816 495 L CB -0.685 41.509 42.059 0.225 0.000 0.932 495 L HN 0.022 nan 8.230 nan 0.000 0.449 496 N N -0.009 118.745 118.700 0.091 0.000 2.251 496 N HA 0.234 4.974 4.740 -0.000 0.000 0.217 496 N C 0.657 176.195 175.510 0.046 0.000 1.124 496 N CA 0.770 53.822 53.050 0.003 0.000 0.843 496 N CB 0.537 38.963 38.487 -0.103 0.000 1.024 496 N HN 0.330 nan 8.380 nan 0.000 0.501 497 G N 0.363 109.223 108.800 0.101 0.000 2.756 497 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.678 497 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.678 497 G C -0.824 174.135 174.900 0.098 0.000 1.349 497 G CA -0.778 44.381 45.100 0.098 0.000 0.847 497 G HN 0.276 nan 8.290 nan 0.000 0.548 498 C N 2.527 121.871 119.300 0.073 0.000 2.344 498 C HA 0.717 5.176 4.460 -0.000 0.000 0.326 498 C C -1.403 173.558 174.990 -0.048 0.000 1.201 498 C CA -0.843 58.187 59.018 0.020 0.000 1.410 498 C CB 1.146 28.920 27.740 0.058 0.000 2.070 498 C HN 0.831 nan 8.230 nan 0.000 0.445 499 P HA 0.414 nan 4.420 nan 0.000 0.278 499 P C -2.659 174.686 177.300 0.074 0.000 1.258 499 P CA -1.314 61.800 63.100 0.023 0.000 0.811 499 P CB 0.453 32.198 31.700 0.075 0.000 1.063 500 P HA 0.222 nan 4.420 nan 0.000 0.274 500 P C -2.292 175.044 177.300 0.060 0.000 1.237 500 P CA -1.549 61.603 63.100 0.087 0.000 0.793 500 P CB -0.911 30.861 31.700 0.120 0.000 0.977 501 P HA -0.045 nan 4.420 nan 0.000 0.270 501 P C 0.792 178.100 177.300 0.014 0.000 1.223 501 P CA -0.046 63.077 63.100 0.037 0.000 0.785 501 P CB 0.522 32.245 31.700 0.039 0.000 0.923 502 Y N 1.128 121.347 120.300 -0.136 0.000 2.096 502 Y HA -0.250 4.300 4.550 -0.000 0.000 0.278 502 Y C 1.229 176.950 175.900 -0.299 0.000 1.192 502 Y CA 1.840 59.771 58.100 -0.282 0.000 1.143 502 Y CB -0.182 38.066 38.460 -0.352 0.000 0.963 502 Y HN 0.345 nan 8.280 nan 0.000 0.505 503 H N 0.482 119.604 119.070 0.086 0.000 2.581 503 H HA 0.314 4.870 4.556 -0.000 0.000 0.308 503 H C -0.215 175.115 175.328 0.005 0.000 1.040 503 H CA 0.071 56.140 56.048 0.034 0.000 1.231 503 H CB 0.719 30.538 29.762 0.094 0.000 1.396 503 H HN 0.144 nan 8.280 nan 0.000 0.467 504 T N -0.558 114.080 114.554 0.140 0.000 2.932 504 T HA 0.365 4.715 4.350 -0.000 0.000 0.289 504 T C 0.116 174.881 174.700 0.108 0.000 1.039 504 T CA -0.829 61.267 62.100 -0.006 0.000 1.024 504 T CB 1.300 70.130 68.868 -0.064 0.000 1.090 504 T HN 0.418 nan 8.240 nan 0.000 0.496 505 F N -0.394 119.592 119.950 0.060 0.000 3.091 505 F HA -0.200 4.327 4.527 -0.000 0.000 0.288 505 F C 1.266 177.075 175.800 0.015 0.000 0.907 505 F CA 0.340 58.361 58.000 0.035 0.000 1.028 505 F CB -2.432 36.580 39.000 0.020 0.000 1.022 505 F HN 0.799 nan 8.300 nan 0.000 0.665 506 E N 0.310 120.570 120.200 0.101 0.000 2.153 506 E HA -0.178 4.172 4.350 -0.000 0.000 0.194 506 E C 1.104 177.736 176.600 0.053 0.000 0.988 506 E CA 1.298 57.724 56.400 0.043 0.000 0.811 506 E CB 0.089 29.789 29.700 0.001 0.000 0.746 506 E HN 0.632 nan 8.360 nan 0.000 0.466 507 E N 1.858 122.104 120.200 0.076 0.000 2.102 507 E HA 0.154 4.504 4.350 -0.000 0.000 0.263 507 E C -2.379 174.310 176.600 0.148 0.000 0.894 507 E CA -2.649 53.800 56.400 0.083 0.000 0.746 507 E CB 0.906 30.645 29.700 0.064 0.000 1.129 507 E HN -0.153 nan 8.360 nan 0.000 0.416 508 P HA -0.045 nan 4.420 nan 0.000 0.270 508 P C -0.031 177.385 177.300 0.192 0.000 1.227 508 P CA -0.210 62.989 63.100 0.165 0.000 0.788 508 P CB 0.469 32.208 31.700 0.065 0.000 0.926 509 T N -1.079 113.596 114.554 0.201 0.000 2.802 509 T HA 0.103 4.453 4.350 -0.000 0.000 0.305 509 T C -0.383 174.414 174.700 0.161 0.000 1.053 509 T CA -0.232 61.990 62.100 0.204 0.000 1.058 509 T CB 0.064 69.033 68.868 0.168 0.000 0.988 509 T HN 0.390 nan 8.240 nan 0.000 0.539 510 Y N 1.403 121.742 120.300 0.065 0.000 2.335 510 Y HA 0.551 5.101 4.550 -0.000 0.000 0.339 510 Y C -1.259 174.662 175.900 0.035 0.000 0.987 510 Y CA -1.160 56.965 58.100 0.042 0.000 1.140 510 Y CB 0.850 39.335 38.460 0.041 0.000 1.173 510 Y HN 0.581 nan 8.280 nan 0.000 0.486 511 V N 6.518 126.201 119.914 -0.385 0.000 2.488 511 V HA 0.253 4.373 4.120 -0.000 0.000 0.293 511 V C -0.585 175.288 176.094 -0.368 0.000 1.027 511 V CA -1.280 60.879 62.300 -0.235 0.000 0.862 511 V CB 1.454 33.218 31.823 -0.099 0.000 1.008 511 V HN 0.853 nan 8.190 nan 0.000 0.428 512 N N 2.887 121.424 118.700 -0.272 0.000 2.479 512 N HA 0.256 4.996 4.740 -0.000 0.000 0.257 512 N C 0.781 176.236 175.510 -0.092 0.000 1.232 512 N CA -0.408 52.537 53.050 -0.174 0.000 0.920 512 N CB 1.168 39.657 38.487 0.003 0.000 1.105 512 N HN 0.598 nan 8.380 nan 0.000 0.444 513 L N 1.609 122.788 121.223 -0.074 0.000 2.298 513 L HA 0.144 4.484 4.340 -0.000 0.000 0.209 513 L C 0.389 177.251 176.870 -0.014 0.000 1.084 513 L CA 0.974 55.789 54.840 -0.041 0.000 0.816 513 L CB -0.190 41.845 42.059 -0.040 0.000 0.967 513 L HN 0.732 nan 8.230 nan 0.000 0.460 514 K N 0.000 120.397 120.400 -0.004 0.000 2.780 514 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 514 K CA 0.000 56.293 56.287 0.010 0.000 0.838 514 K CB 0.000 32.509 32.500 0.014 0.000 1.064 514 K HN 0.000 nan 8.250 nan 0.000 0.543