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 2ein_1_A 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 0.000 175.814 175.800 0.024 0.000 0.967 2 F CA 0.000 58.036 58.000 0.060 0.000 1.383 2 F CB 0.000 39.052 39.000 0.086 0.000 1.145 3 I N 1.536 122.052 120.570 -0.090 0.000 2.099 3 I HA -0.336 3.834 4.170 -0.000 0.000 0.239 3 I C 1.655 177.415 176.117 -0.595 0.000 1.066 3 I CA 2.292 63.366 61.300 -0.377 0.000 1.324 3 I CB -0.636 37.097 38.000 -0.444 0.000 1.037 3 I HN 0.289 nan 8.210 nan 0.000 0.401 4 N N 0.445 118.843 118.700 -0.503 0.000 2.137 4 N HA -0.242 4.498 4.740 -0.000 0.000 0.190 4 N C 1.869 177.197 175.510 -0.302 0.000 1.017 4 N CA 1.341 54.174 53.050 -0.361 0.000 0.859 4 N CB -0.303 38.065 38.487 -0.199 0.000 1.002 4 N HN 0.273 nan 8.380 nan 0.000 0.428 5 R N -0.983 119.254 120.500 -0.439 0.000 2.075 5 R HA -0.024 4.316 4.340 -0.000 0.000 0.226 5 R C 1.138 176.994 176.300 -0.740 0.000 1.114 5 R CA 1.178 56.871 56.100 -0.678 0.000 0.972 5 R CB -0.100 29.615 30.300 -0.975 0.000 0.869 5 R HN 0.314 nan 8.270 nan 0.000 0.437 6 W N -0.952 120.120 121.300 -0.380 0.000 2.872 6 W HA 0.187 4.847 4.660 -0.000 0.000 0.266 6 W C 1.209 177.731 176.519 0.005 0.000 1.276 6 W CA -0.596 56.578 57.345 -0.285 0.000 1.471 6 W CB 0.321 29.453 29.460 -0.547 0.000 1.071 6 W HN 0.050 nan 8.180 nan 0.000 0.619 7 L N -1.369 119.900 121.223 0.077 0.000 2.470 7 L HA 0.169 4.509 4.340 -0.000 0.000 0.219 7 L C 1.089 178.207 176.870 0.413 0.000 1.071 7 L CA 1.020 55.924 54.840 0.107 0.000 0.850 7 L CB -0.614 41.330 42.059 -0.193 0.000 1.040 7 L HN -0.116 nan 8.230 nan 0.000 0.475 8 F N -1.394 118.544 119.950 -0.020 0.000 2.639 8 F HA 0.374 4.901 4.527 -0.000 0.000 0.302 8 F C 1.439 177.239 175.800 -0.000 0.000 1.097 8 F CA -1.113 56.876 58.000 -0.019 0.000 1.294 8 F CB -1.201 37.766 39.000 -0.055 0.000 1.027 8 F HN -0.160 nan 8.300 nan 0.000 0.550 9 S N 1.159 116.962 115.700 0.170 0.000 2.537 9 S HA 0.065 4.535 4.470 -0.000 0.000 0.280 9 S C 1.055 175.695 174.600 0.067 0.000 1.335 9 S CA 1.256 59.486 58.200 0.051 0.000 1.025 9 S CB 0.297 63.491 63.200 -0.010 0.000 0.836 9 S HN 0.503 nan 8.310 nan 0.000 0.523 10 T N 0.430 114.995 114.554 0.019 0.000 3.769 10 T HA 0.271 4.621 4.350 -0.000 0.000 0.317 10 T C -0.390 174.280 174.700 -0.050 0.000 0.931 10 T CA -0.632 61.475 62.100 0.011 0.000 1.005 10 T CB -0.769 68.114 68.868 0.025 0.000 1.202 10 T HN 0.598 nan 8.240 nan 0.000 0.501 11 N N 1.479 120.115 118.700 -0.106 0.000 2.392 11 N HA 0.177 4.917 4.740 -0.000 0.000 0.283 11 N C 1.115 176.476 175.510 -0.249 0.000 1.003 11 N CA -0.270 52.630 53.050 -0.249 0.000 0.892 11 N CB 1.397 39.649 38.487 -0.393 0.000 1.193 11 N HN 0.560 nan 8.380 nan 0.000 0.487 12 H N 3.541 122.414 119.070 -0.327 0.000 2.421 12 H HA -0.024 4.532 4.556 -0.000 0.000 0.298 12 H C 1.032 176.060 175.328 -0.499 0.000 1.087 12 H CA 1.351 57.205 56.048 -0.324 0.000 1.330 12 H CB 0.329 29.911 29.762 -0.299 0.000 1.388 12 H HN 0.495 nan 8.280 nan 0.000 0.526 13 K N 0.334 119.911 120.400 -1.372 0.000 2.031 13 K HA -0.098 4.222 4.320 -0.000 0.000 0.205 13 K C 1.595 177.560 176.600 -1.060 0.000 1.049 13 K CA 1.347 56.586 56.287 -1.748 0.000 0.939 13 K CB 0.018 31.485 32.500 -1.721 0.000 0.717 13 K HN 0.330 nan 8.250 nan 0.000 0.438 14 D N 1.286 121.344 120.400 -0.570 0.000 2.117 14 D HA -0.114 4.526 4.640 -0.000 0.000 0.197 14 D C 1.949 178.198 176.300 -0.084 0.000 0.987 14 D CA 0.975 54.865 54.000 -0.182 0.000 0.829 14 D CB -0.266 40.320 40.800 -0.357 0.000 0.961 14 D HN 0.123 nan 8.370 nan 0.000 0.460 15 I N 0.876 121.333 120.570 -0.188 0.000 2.226 15 I HA -0.168 4.002 4.170 -0.000 0.000 0.245 15 I C 2.477 178.577 176.117 -0.027 0.000 1.100 15 I CA 1.388 62.598 61.300 -0.150 0.000 1.374 15 I CB -0.329 37.654 38.000 -0.029 0.000 1.057 15 I HN 0.034 nan 8.210 nan 0.000 0.413 16 G N -0.419 108.340 108.800 -0.068 0.000 2.432 16 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.219 16 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.219 16 G C 1.649 176.637 174.900 0.147 0.000 1.135 16 G CA 1.356 46.499 45.100 0.073 0.000 0.767 16 G HN 0.279 nan 8.290 nan 0.000 0.550 17 T N 1.132 115.748 114.554 0.104 0.000 2.777 17 T HA 0.009 4.359 4.350 -0.000 0.000 0.266 17 T C 2.410 177.118 174.700 0.013 0.000 1.040 17 T CA 0.671 62.889 62.100 0.197 0.000 1.141 17 T CB -0.177 68.877 68.868 0.311 0.000 0.868 17 T HN 0.138 nan 8.240 nan 0.000 0.444 18 L N -0.476 120.639 121.223 -0.180 0.000 2.012 18 L HA -0.146 4.194 4.340 -0.000 0.000 0.210 18 L C 2.390 179.064 176.870 -0.325 0.000 1.073 18 L CA 1.642 56.143 54.840 -0.566 0.000 0.748 18 L CB -0.551 40.660 42.059 -1.413 0.000 0.891 18 L HN 0.289 nan 8.230 nan 0.000 0.431 19 Y N -0.102 120.092 120.300 -0.176 0.000 2.128 19 Y HA -0.272 4.278 4.550 -0.000 0.000 0.284 19 Y C 2.461 178.470 175.900 0.182 0.000 1.154 19 Y CA 1.485 59.680 58.100 0.158 0.000 1.149 19 Y CB -0.440 38.093 38.460 0.122 0.000 0.976 19 Y HN 0.044 nan 8.280 nan 0.000 0.505 20 L N -0.764 120.602 121.223 0.237 0.000 2.127 20 L HA -0.276 4.064 4.340 -0.000 0.000 0.211 20 L C 2.224 179.212 176.870 0.196 0.000 1.089 20 L CA 1.049 55.980 54.840 0.151 0.000 0.757 20 L CB -0.592 41.492 42.059 0.042 0.000 0.899 20 L HN 0.310 nan 8.230 nan 0.000 0.434 21 L N -1.636 119.695 121.223 0.180 0.000 2.023 21 L HA -0.222 4.118 4.340 -0.000 0.000 0.205 21 L C 2.549 179.578 176.870 0.266 0.000 1.073 21 L CA 1.337 56.278 54.840 0.168 0.000 0.745 21 L CB -0.586 41.515 42.059 0.071 0.000 0.900 21 L HN 0.170 nan 8.230 nan 0.000 0.435 22 F N 1.146 121.203 119.950 0.178 0.000 2.065 22 F HA -0.206 4.321 4.527 -0.000 0.000 0.298 22 F C 2.311 178.289 175.800 0.296 0.000 1.112 22 F CA 1.851 59.989 58.000 0.230 0.000 1.212 22 F CB -0.622 38.522 39.000 0.239 0.000 0.975 22 F HN 0.022 nan 8.300 nan 0.000 0.476 23 G N -0.572 108.541 108.800 0.522 0.000 2.469 23 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.220 23 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.220 23 G C 1.734 176.764 174.900 0.216 0.000 1.136 23 G CA 0.911 46.231 45.100 0.366 0.000 0.759 23 G HN 0.640 nan 8.290 nan 0.000 0.562 24 A N -0.344 122.589 122.820 0.188 0.000 1.897 24 A HA 0.051 4.371 4.320 -0.000 0.000 0.215 24 A C 2.116 179.779 177.584 0.132 0.000 1.181 24 A CA 1.432 53.534 52.037 0.109 0.000 0.620 24 A CB -0.680 18.369 19.000 0.081 0.000 0.821 24 A HN 0.504 nan 8.150 nan 0.000 0.443 25 W N 0.720 122.007 121.300 -0.020 0.000 2.333 25 W HA -0.177 4.483 4.660 -0.000 0.000 0.316 25 W C 2.548 179.048 176.519 -0.032 0.000 1.215 25 W CA 2.512 59.822 57.345 -0.058 0.000 1.278 25 W CB -0.335 29.050 29.460 -0.124 0.000 1.154 25 W HN 0.350 nan 8.180 nan 0.000 0.486 26 A N 0.467 123.421 122.820 0.223 0.000 1.948 26 A HA -0.146 4.174 4.320 -0.000 0.000 0.220 26 A C 2.196 179.814 177.584 0.058 0.000 1.177 26 A CA 2.166 54.328 52.037 0.207 0.000 0.636 26 A CB -1.720 17.400 19.000 0.200 0.000 0.815 26 A HN 0.454 nan 8.150 nan 0.000 0.449 27 G N -1.128 107.693 108.800 0.035 0.000 2.432 27 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.219 27 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.219 27 G C 1.461 176.327 174.900 -0.057 0.000 1.135 27 G CA 1.284 46.383 45.100 -0.003 0.000 0.767 27 G HN 0.356 nan 8.290 nan 0.000 0.550 28 M N 0.390 119.909 119.600 -0.136 0.000 2.077 28 M HA 0.012 4.492 4.480 -0.000 0.000 0.261 28 M C 2.808 178.985 176.300 -0.206 0.000 1.070 28 M CA 0.686 55.867 55.300 -0.198 0.000 1.125 28 M CB -1.336 31.075 32.600 -0.316 0.000 1.339 28 M HN 0.098 nan 8.290 nan 0.000 0.409 29 V N 0.577 120.321 119.914 -0.282 0.000 2.282 29 V HA -0.236 3.884 4.120 -0.000 0.000 0.249 29 V C 2.586 178.668 176.094 -0.020 0.000 1.057 29 V CA 2.269 64.465 62.300 -0.173 0.000 1.032 29 V CB -1.623 30.150 31.823 -0.084 0.000 0.645 29 V HN 0.605 nan 8.190 nan 0.000 0.447 30 G N -1.497 107.309 108.800 0.010 0.000 2.443 30 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.219 30 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.219 30 G C 1.658 176.609 174.900 0.085 0.000 1.131 30 G CA 1.388 46.507 45.100 0.032 0.000 0.775 30 G HN 0.482 nan 8.290 nan 0.000 0.547 31 T N 1.181 115.753 114.554 0.029 0.000 2.851 31 T HA 0.160 4.510 4.350 -0.000 0.000 0.262 31 T C 2.846 177.555 174.700 0.014 0.000 1.043 31 T CA 1.151 63.274 62.100 0.038 0.000 1.140 31 T CB -0.226 68.637 68.868 -0.008 0.000 0.872 31 T HN 0.342 nan 8.240 nan 0.000 0.446 32 A N 1.649 124.456 122.820 -0.022 0.000 1.865 32 A HA -0.034 4.286 4.320 -0.000 0.000 0.217 32 A C 2.261 179.848 177.584 0.004 0.000 1.191 32 A CA 1.334 53.348 52.037 -0.038 0.000 0.623 32 A CB -0.975 17.988 19.000 -0.062 0.000 0.826 32 A HN 0.472 nan 8.150 nan 0.000 0.444 33 L N 0.473 121.727 121.223 0.053 0.000 2.013 33 L HA -0.241 4.099 4.340 -0.000 0.000 0.212 33 L C 3.022 179.914 176.870 0.037 0.000 1.073 33 L CA 1.823 56.707 54.840 0.072 0.000 0.753 33 L CB -0.780 41.368 42.059 0.149 0.000 0.890 33 L HN 0.641 nan 8.230 nan 0.000 0.432 34 S N 0.007 115.785 115.700 0.129 0.000 2.419 34 S HA -0.179 4.291 4.470 -0.000 0.000 0.235 34 S C 1.929 176.501 174.600 -0.047 0.000 1.019 34 S CA 1.115 59.303 58.200 -0.020 0.000 0.982 34 S CB -0.533 62.790 63.200 0.205 0.000 0.789 34 S HN 0.395 nan 8.310 nan 0.000 0.490 35 L N 0.120 121.326 121.223 -0.028 0.000 2.095 35 L HA 0.113 4.453 4.340 -0.000 0.000 0.204 35 L C 2.633 179.523 176.870 0.032 0.000 1.080 35 L CA 0.835 55.652 54.840 -0.038 0.000 0.759 35 L CB -0.471 41.500 42.059 -0.146 0.000 0.914 35 L HN 0.309 nan 8.230 nan 0.000 0.439 36 L N -0.287 120.947 121.223 0.019 0.000 2.079 36 L HA -0.273 4.067 4.340 -0.000 0.000 0.210 36 L C 2.423 179.332 176.870 0.065 0.000 1.081 36 L CA 1.401 56.271 54.840 0.050 0.000 0.752 36 L CB -0.359 41.717 42.059 0.028 0.000 0.896 36 L HN 0.208 nan 8.230 nan 0.000 0.433 37 I N -0.710 119.853 120.570 -0.011 0.000 2.076 37 I HA -0.306 3.864 4.170 -0.000 0.000 0.237 37 I C 2.585 178.786 176.117 0.140 0.000 1.059 37 I CA 1.345 62.642 61.300 -0.005 0.000 1.317 37 I CB -0.418 37.484 38.000 -0.164 0.000 1.037 37 I HN 0.233 nan 8.210 nan 0.000 0.398 38 R N 0.782 121.329 120.500 0.078 0.000 2.285 38 R HA -0.062 4.278 4.340 -0.000 0.000 0.213 38 R C 2.153 178.544 176.300 0.152 0.000 1.068 38 R CA 1.076 57.235 56.100 0.100 0.000 1.004 38 R CB -0.369 29.965 30.300 0.056 0.000 0.873 38 R HN 0.420 nan 8.270 nan 0.000 0.467 39 A N 1.260 124.189 122.820 0.182 0.000 1.854 39 A HA -0.189 4.131 4.320 -0.000 0.000 0.214 39 A C 2.086 179.759 177.584 0.148 0.000 1.192 39 A CA 1.374 53.519 52.037 0.181 0.000 0.611 39 A CB -0.349 18.762 19.000 0.184 0.000 0.832 39 A HN 0.187 nan 8.150 nan 0.000 0.442 40 E N 0.457 120.770 120.200 0.187 0.000 2.097 40 E HA -0.160 4.190 4.350 -0.000 0.000 0.196 40 E C 1.478 178.182 176.600 0.173 0.000 1.000 40 E CA 1.540 58.054 56.400 0.191 0.000 0.804 40 E CB -0.424 29.471 29.700 0.325 0.000 0.740 40 E HN 0.584 nan 8.360 nan 0.000 0.454 41 L N -0.721 120.627 121.223 0.209 0.000 2.612 41 L HA 0.287 4.627 4.340 -0.000 0.000 0.230 41 L C 2.067 179.048 176.870 0.184 0.000 1.140 41 L CA 0.220 55.203 54.840 0.238 0.000 0.896 41 L CB -0.143 41.989 42.059 0.121 0.000 1.065 41 L HN 0.196 nan 8.230 nan 0.000 0.447 42 G N 0.779 109.655 108.800 0.128 0.000 2.440 42 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.218 42 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.218 42 G C 0.652 175.598 174.900 0.076 0.000 1.154 42 G CA 0.505 45.644 45.100 0.066 0.000 0.767 42 G HN 0.528 nan 8.290 nan 0.000 0.552 43 Q N -0.523 119.335 119.800 0.096 0.000 2.456 43 Q HA 0.567 4.907 4.340 -0.000 0.000 0.284 43 Q C -3.251 172.773 176.000 0.042 0.000 1.061 43 Q CA -2.139 53.707 55.803 0.072 0.000 0.799 43 Q CB 2.258 31.000 28.738 0.006 0.000 1.445 43 Q HN -0.067 nan 8.270 nan 0.000 0.411 44 P HA 0.361 nan 4.420 nan 0.000 0.270 44 P C -0.180 177.000 177.300 -0.201 0.000 1.223 44 P CA 1.360 64.284 63.100 -0.293 0.000 0.785 44 P CB 0.501 32.042 31.700 -0.265 0.000 0.923 45 G N 0.011 108.660 108.800 -0.250 0.000 2.566 45 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.599 45 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.599 45 G C -0.934 173.894 174.900 -0.121 0.000 1.292 45 G CA -0.813 44.194 45.100 -0.155 0.000 0.922 45 G HN 0.576 nan 8.290 nan 0.000 0.514 46 T N 0.334 114.838 114.554 -0.082 0.000 2.867 46 T HA 0.539 4.889 4.350 -0.000 0.000 0.282 46 T C 1.127 175.815 174.700 -0.020 0.000 1.000 46 T CA 0.439 62.507 62.100 -0.054 0.000 1.042 46 T CB 1.593 70.431 68.868 -0.051 0.000 0.973 46 T HN 1.012 nan 8.240 nan 0.000 0.465 47 L N 3.615 124.844 121.223 0.010 0.000 2.453 47 L HA 0.470 4.810 4.340 -0.000 0.000 0.190 47 L C 1.667 178.563 176.870 0.044 0.000 1.093 47 L CA 1.100 55.959 54.840 0.032 0.000 0.834 47 L CB -0.366 41.727 42.059 0.056 0.000 1.090 47 L HN 0.634 nan 8.230 nan 0.000 0.489 48 L N -0.809 120.455 121.223 0.068 0.000 2.168 48 L HA 0.449 4.789 4.340 -0.000 0.000 0.203 48 L C 1.181 178.086 176.870 0.059 0.000 1.078 48 L CA 0.567 55.453 54.840 0.076 0.000 0.780 48 L CB -0.425 41.705 42.059 0.118 0.000 0.939 48 L HN 0.495 nan 8.230 nan 0.000 0.451 49 G N -0.796 108.035 108.800 0.052 0.000 2.398 49 G HA2 0.021 3.981 3.960 -0.000 0.000 0.251 49 G HA3 0.021 3.981 3.960 -0.000 0.000 0.251 49 G C -1.692 173.224 174.900 0.027 0.000 1.277 49 G CA -0.089 45.032 45.100 0.035 0.000 0.927 49 G HN 0.112 nan 8.290 nan 0.000 0.477 50 D N -0.150 120.264 120.400 0.024 0.000 2.289 50 D HA 0.266 4.906 4.640 -0.000 0.000 0.266 50 D C 0.564 176.891 176.300 0.044 0.000 1.243 50 D CA 0.241 54.245 54.000 0.008 0.000 1.019 50 D CB 0.126 40.930 40.800 0.007 0.000 1.126 50 D HN 0.190 nan 8.370 nan 0.000 0.541 51 D N -1.678 118.745 120.400 0.038 0.000 2.317 51 D HA -0.090 4.550 4.640 -0.000 0.000 0.211 51 D C 1.721 178.127 176.300 0.177 0.000 0.966 51 D CA 0.578 54.645 54.000 0.111 0.000 0.876 51 D CB -0.073 40.770 40.800 0.072 0.000 0.927 51 D HN 0.369 nan 8.370 nan 0.000 0.519 52 Q N 1.133 121.004 119.800 0.120 0.000 1.990 52 Q HA -0.079 4.261 4.340 -0.000 0.000 0.200 52 Q C 2.108 178.194 176.000 0.143 0.000 0.980 52 Q CA 1.087 56.961 55.803 0.118 0.000 0.832 52 Q CB -0.561 28.214 28.738 0.062 0.000 0.897 52 Q HN 0.359 nan 8.270 nan 0.000 0.427 53 I N -0.313 120.335 120.570 0.130 0.000 2.226 53 I HA -0.267 3.903 4.170 -0.000 0.000 0.245 53 I C 2.066 178.282 176.117 0.165 0.000 1.100 53 I CA 1.398 62.775 61.300 0.129 0.000 1.374 53 I CB -0.210 37.855 38.000 0.108 0.000 1.057 53 I HN 0.451 nan 8.210 nan 0.000 0.413 54 Y N 1.904 122.246 120.300 0.069 0.000 2.097 54 Y HA -0.320 4.230 4.550 -0.000 0.000 0.282 54 Y C 2.281 178.233 175.900 0.087 0.000 1.152 54 Y CA 2.154 60.300 58.100 0.077 0.000 1.136 54 Y CB -0.354 38.155 38.460 0.082 0.000 0.975 54 Y HN 0.242 nan 8.280 nan 0.000 0.498 55 N N -0.188 118.661 118.700 0.249 0.000 2.459 55 N HA -0.118 4.622 4.740 -0.000 0.000 0.181 55 N C 1.776 177.320 175.510 0.057 0.000 1.046 55 N CA 1.120 54.246 53.050 0.126 0.000 0.904 55 N CB -0.080 38.536 38.487 0.215 0.000 0.964 55 N HN 0.306 nan 8.380 nan 0.000 0.444 56 V N 0.321 120.285 119.914 0.084 0.000 2.548 56 V HA -0.107 4.013 4.120 -0.000 0.000 0.249 56 V C 2.301 178.422 176.094 0.046 0.000 1.055 56 V CA 0.862 63.216 62.300 0.090 0.000 1.065 56 V CB -0.135 31.757 31.823 0.114 0.000 0.681 56 V HN 0.034 nan 8.190 nan 0.000 0.462 57 V N -0.393 119.513 119.914 -0.014 0.000 2.283 57 V HA -0.182 3.938 4.120 -0.000 0.000 0.243 57 V C 2.420 178.457 176.094 -0.095 0.000 1.039 57 V CA 1.866 64.133 62.300 -0.054 0.000 1.016 57 V CB -0.173 31.580 31.823 -0.117 0.000 0.650 57 V HN 0.386 nan 8.190 nan 0.000 0.449 58 V N 0.207 119.987 119.914 -0.223 0.000 2.380 58 V HA -0.311 3.809 4.120 -0.000 0.000 0.251 58 V C 2.526 178.587 176.094 -0.055 0.000 1.063 58 V CA 2.666 64.862 62.300 -0.173 0.000 1.055 58 V CB -1.202 30.505 31.823 -0.194 0.000 0.657 58 V HN 0.657 nan 8.190 nan 0.000 0.455 59 T N 0.516 115.028 114.554 -0.070 0.000 2.643 59 T HA -0.160 4.190 4.350 -0.000 0.000 0.264 59 T C 2.110 176.684 174.700 -0.212 0.000 1.045 59 T CA 1.694 63.693 62.100 -0.168 0.000 1.155 59 T CB -0.543 68.272 68.868 -0.089 0.000 0.863 59 T HN 0.580 nan 8.240 nan 0.000 0.420 60 A N 1.274 124.106 122.820 0.020 0.000 1.940 60 A HA -0.199 4.121 4.320 -0.000 0.000 0.219 60 A C 2.004 179.652 177.584 0.106 0.000 1.176 60 A CA 2.406 54.533 52.037 0.150 0.000 0.631 60 A CB -1.114 18.009 19.000 0.206 0.000 0.814 60 A HN 0.746 nan 8.150 nan 0.000 0.446 61 H N 0.117 119.167 119.070 -0.033 0.000 2.321 61 H HA -0.121 4.435 4.556 -0.000 0.000 0.295 61 H C 2.109 177.374 175.328 -0.105 0.000 1.102 61 H CA 2.562 58.586 56.048 -0.039 0.000 1.266 61 H CB -0.272 29.469 29.762 -0.035 0.000 1.363 61 H HN 0.400 nan 8.280 nan 0.000 0.492 62 A N 0.015 122.744 122.820 -0.152 0.000 1.855 62 A HA -0.071 4.249 4.320 -0.000 0.000 0.215 62 A C 2.189 179.559 177.584 -0.356 0.000 1.191 62 A CA 1.369 53.142 52.037 -0.441 0.000 0.613 62 A CB -1.003 17.631 19.000 -0.611 0.000 0.829 62 A HN 0.444 nan 8.150 nan 0.000 0.442 63 F N 0.154 120.051 119.950 -0.088 0.000 2.095 63 F HA -0.164 4.363 4.527 -0.000 0.000 0.298 63 F C 2.559 178.224 175.800 -0.224 0.000 1.104 63 F CA 1.061 59.051 58.000 -0.018 0.000 1.232 63 F CB -1.192 37.803 39.000 -0.009 0.000 0.987 63 F HN 0.020 nan 8.300 nan 0.000 0.475 64 V N -0.100 119.823 119.914 0.015 0.000 2.237 64 V HA -0.338 3.782 4.120 -0.000 0.000 0.245 64 V C 2.566 178.604 176.094 -0.094 0.000 1.046 64 V CA 1.774 64.054 62.300 -0.034 0.000 1.007 64 V CB -0.577 31.299 31.823 0.088 0.000 0.638 64 V HN 0.223 nan 8.190 nan 0.000 0.445 65 M N -1.105 118.370 119.600 -0.209 0.000 2.149 65 M HA -0.153 4.327 4.480 -0.000 0.000 0.261 65 M C 2.020 178.158 176.300 -0.270 0.000 1.064 65 M CA 1.973 57.120 55.300 -0.255 0.000 1.102 65 M CB -1.000 31.345 32.600 -0.425 0.000 1.369 65 M HN 0.313 nan 8.290 nan 0.000 0.408 66 I N -1.281 119.056 120.570 -0.387 0.000 2.315 66 I HA -0.202 3.968 4.170 -0.000 0.000 0.233 66 I C 2.001 177.831 176.117 -0.477 0.000 1.067 66 I CA 0.932 61.907 61.300 -0.542 0.000 1.376 66 I CB -0.483 36.984 38.000 -0.887 0.000 1.143 66 I HN 0.015 nan 8.210 nan 0.000 0.421 67 F N 0.013 119.808 119.950 -0.258 0.000 2.365 67 F HA -0.111 4.416 4.527 -0.000 0.000 0.300 67 F C 1.727 177.502 175.800 -0.043 0.000 1.090 67 F CA 1.024 58.857 58.000 -0.278 0.000 1.408 67 F CB -0.249 38.401 39.000 -0.583 0.000 1.060 67 F HN 0.027 nan 8.300 nan 0.000 0.534 68 F N -2.509 117.503 119.950 0.104 0.000 2.724 68 F HA 0.222 4.749 4.527 -0.000 0.000 0.306 68 F C 1.795 177.703 175.800 0.181 0.000 1.100 68 F CA -0.131 57.958 58.000 0.147 0.000 1.255 68 F CB -0.196 38.652 39.000 -0.252 0.000 1.072 68 F HN -0.060 nan 8.300 nan 0.000 0.589 69 M N -0.791 118.945 119.600 0.226 0.000 3.160 69 M HA 0.158 4.638 4.480 -0.000 0.000 0.222 69 M C 1.875 178.247 176.300 0.120 0.000 1.703 69 M CA 1.025 56.425 55.300 0.167 0.000 1.354 69 M CB -0.494 32.150 32.600 0.074 0.000 1.115 69 M HN -0.151 nan 8.290 nan 0.000 0.594 70 V N 1.860 121.784 119.914 0.016 0.000 2.287 70 V HA -0.308 3.812 4.120 -0.000 0.000 0.248 70 V C 2.572 178.678 176.094 0.020 0.000 1.053 70 V CA 2.148 64.446 62.300 -0.003 0.000 1.027 70 V CB -0.744 31.018 31.823 -0.101 0.000 0.646 70 V HN 0.496 nan 8.190 nan 0.000 0.447 71 M N -0.803 118.794 119.600 -0.006 0.000 2.077 71 M HA -0.081 4.399 4.480 -0.000 0.000 0.261 71 M C 0.023 176.359 176.300 0.061 0.000 1.070 71 M CA 2.215 57.515 55.300 0.000 0.000 1.125 71 M CB -1.480 31.110 32.600 -0.016 0.000 1.339 71 M HN 0.251 nan 8.290 nan 0.000 0.409 72 P HA -0.149 nan 4.420 nan 0.000 0.216 72 P C 1.388 178.809 177.300 0.200 0.000 1.153 72 P CA 1.385 64.657 63.100 0.287 0.000 0.858 72 P CB -0.084 31.922 31.700 0.509 0.000 0.789 73 I N -1.870 118.827 120.570 0.212 0.000 2.110 73 I HA -0.252 3.918 4.170 -0.000 0.000 0.236 73 I C 2.424 178.682 176.117 0.235 0.000 1.068 73 I CA 1.686 63.100 61.300 0.190 0.000 1.333 73 I CB -0.551 37.587 38.000 0.229 0.000 1.054 73 I HN -0.098 nan 8.210 nan 0.000 0.402 74 M N -0.061 119.700 119.600 0.268 0.000 2.108 74 M HA -0.213 4.267 4.480 -0.000 0.000 0.261 74 M C 2.216 178.636 176.300 0.201 0.000 1.066 74 M CA 2.086 57.579 55.300 0.323 0.000 1.107 74 M CB -0.347 32.352 32.600 0.166 0.000 1.356 74 M HN 0.223 nan 8.290 nan 0.000 0.406 75 I N -0.996 119.562 120.570 -0.020 0.000 2.522 75 I HA 0.020 4.190 4.170 -0.000 0.000 0.240 75 I C 2.629 178.545 176.117 -0.336 0.000 1.078 75 I CA 1.012 62.167 61.300 -0.243 0.000 1.422 75 I CB -0.852 36.933 38.000 -0.358 0.000 1.188 75 I HN 0.242 nan 8.210 nan 0.000 0.442 76 G N 0.245 108.696 108.800 -0.581 0.000 2.432 76 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.219 76 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.219 76 G C 1.482 176.071 174.900 -0.518 0.000 1.135 76 G CA 0.911 45.206 45.100 -1.341 0.000 0.767 76 G HN 0.499 nan 8.290 nan 0.000 0.550 77 G N 0.414 109.126 108.800 -0.147 0.000 2.670 77 G HA2 0.126 4.086 3.960 -0.000 0.000 0.219 77 G HA3 0.126 4.086 3.960 -0.000 0.000 0.219 77 G C 1.345 176.242 174.900 -0.006 0.000 1.342 77 G CA 0.179 45.259 45.100 -0.034 0.000 0.902 77 G HN 0.251 nan 8.290 nan 0.000 0.553 78 F N 2.066 122.083 119.950 0.111 0.000 2.373 78 F HA 0.013 4.540 4.527 -0.000 0.000 0.300 78 F C 2.700 178.632 175.800 0.220 0.000 1.080 78 F CA 0.645 58.680 58.000 0.058 0.000 1.417 78 F CB 0.010 38.986 39.000 -0.042 0.000 1.070 78 F HN 0.264 nan 8.300 nan 0.000 0.546 79 G N -0.012 109.057 108.800 0.448 0.000 2.456 79 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.213 79 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.213 79 G C 1.580 176.822 174.900 0.571 0.000 1.215 79 G CA 0.426 45.861 45.100 0.558 0.000 0.805 79 G HN 0.178 nan 8.290 nan 0.000 0.537 80 N N -0.156 118.808 118.700 0.441 0.000 2.272 80 N HA -0.094 4.646 4.740 -0.000 0.000 0.185 80 N C 1.793 177.425 175.510 0.204 0.000 1.014 80 N CA 0.805 53.994 53.050 0.232 0.000 0.870 80 N CB -0.166 38.404 38.487 0.138 0.000 0.975 80 N HN 0.553 nan 8.380 nan 0.000 0.433 81 W N 1.162 122.493 121.300 0.053 0.000 2.463 81 W HA 0.124 4.784 4.660 -0.000 0.000 0.316 81 W C 2.221 178.804 176.519 0.106 0.000 1.170 81 W CA 0.353 57.682 57.345 -0.026 0.000 1.355 81 W CB -0.449 28.826 29.460 -0.309 0.000 1.159 81 W HN -0.072 nan 8.180 nan 0.000 0.487 82 L N -0.640 120.792 121.223 0.349 0.000 2.109 82 L HA -0.169 4.171 4.340 -0.000 0.000 0.207 82 L C 2.040 179.034 176.870 0.207 0.000 1.086 82 L CA 0.538 55.469 54.840 0.151 0.000 0.760 82 L CB -1.411 40.489 42.059 -0.264 0.000 0.910 82 L HN -0.113 nan 8.230 nan 0.000 0.437 83 V N 0.541 120.629 119.914 0.290 0.000 2.233 83 V HA -0.184 3.936 4.120 -0.000 0.000 0.247 83 V C 0.009 176.093 176.094 -0.016 0.000 1.050 83 V CA 2.219 64.630 62.300 0.186 0.000 1.010 83 V CB -1.673 30.269 31.823 0.198 0.000 0.637 83 V HN 0.331 nan 8.190 nan 0.000 0.444 84 P HA -0.151 nan 4.420 nan 0.000 0.214 84 P C 1.933 179.058 177.300 -0.291 0.000 1.163 84 P CA 1.533 64.422 63.100 -0.351 0.000 0.883 84 P CB -0.136 31.110 31.700 -0.757 0.000 0.788 85 L N -1.980 119.188 121.223 -0.092 0.000 2.079 85 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 85 L C 2.516 179.357 176.870 -0.048 0.000 1.081 85 L CA 1.621 56.462 54.840 0.002 0.000 0.752 85 L CB -1.060 41.160 42.059 0.269 0.000 0.896 85 L HN -0.003 nan 8.230 nan 0.000 0.433 86 M N 0.025 119.643 119.600 0.030 0.000 2.374 86 M HA -0.097 4.383 4.480 -0.000 0.000 0.264 86 M C 1.794 178.083 176.300 -0.019 0.000 1.067 86 M CA 1.490 56.842 55.300 0.086 0.000 1.103 86 M CB -0.147 32.578 32.600 0.209 0.000 1.402 86 M HN 0.396 nan 8.290 nan 0.000 0.444 87 I N -4.077 116.402 120.570 -0.151 0.000 3.974 87 I HA 0.468 4.638 4.170 -0.000 0.000 0.334 87 I C 0.814 176.706 176.117 -0.376 0.000 1.437 87 I CA -0.155 61.022 61.300 -0.205 0.000 1.113 87 I CB -0.156 37.733 38.000 -0.185 0.000 1.063 87 I HN 0.272 nan 8.210 nan 0.000 0.400 88 G N 2.029 110.408 108.800 -0.702 0.000 2.273 88 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.280 88 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.280 88 G C 0.239 174.584 174.900 -0.926 0.000 1.047 88 G CA 0.231 44.492 45.100 -1.398 0.000 0.869 88 G HN 0.954 nan 8.290 nan 0.000 0.502 89 A N 0.144 122.558 122.820 -0.677 0.000 2.295 89 A HA 0.886 5.206 4.320 -0.000 0.000 0.318 89 A C -0.148 177.259 177.584 -0.295 0.000 1.134 89 A CA -0.954 50.847 52.037 -0.393 0.000 0.827 89 A CB 1.228 20.010 19.000 -0.363 0.000 1.136 89 A HN 0.119 nan 8.150 nan 0.000 0.493 90 P HA -0.007 nan 4.420 nan 0.000 0.221 90 P C 0.037 177.242 177.300 -0.158 0.000 1.150 90 P CA 1.490 64.554 63.100 -0.060 0.000 0.800 90 P CB 0.285 31.959 31.700 -0.043 0.000 0.787 91 D N -3.630 116.590 120.400 -0.299 0.000 3.522 91 D HA 0.198 4.838 4.640 -0.000 0.000 0.363 91 D C -0.939 175.122 176.300 -0.398 0.000 1.509 91 D CA -0.606 53.166 54.000 -0.380 0.000 0.907 91 D CB 0.002 40.694 40.800 -0.180 0.000 1.485 91 D HN -0.374 nan 8.370 nan 0.000 0.560 92 M N 0.999 120.404 119.600 -0.324 0.000 2.283 92 M HA 0.486 4.966 4.480 -0.000 0.000 0.314 92 M C 1.044 177.130 176.300 -0.356 0.000 1.153 92 M CA -0.165 54.926 55.300 -0.349 0.000 1.084 92 M CB 0.710 33.138 32.600 -0.286 0.000 1.468 92 M HN 0.665 nan 8.290 nan 0.000 0.474 93 A N 1.412 123.940 122.820 -0.487 0.000 1.933 93 A HA -0.049 4.271 4.320 -0.000 0.000 0.218 93 A C 0.441 177.458 177.584 -0.945 0.000 1.175 93 A CA 1.572 53.132 52.037 -0.796 0.000 0.628 93 A CB -0.318 18.025 19.000 -1.095 0.000 0.814 93 A HN 0.606 nan 8.150 nan 0.000 0.444 94 F N -0.860 119.042 119.950 -0.079 0.000 2.622 94 F HA 0.316 4.843 4.527 -0.000 0.000 0.338 94 F C -1.790 173.987 175.800 -0.038 0.000 1.334 94 F CA -2.306 55.667 58.000 -0.046 0.000 1.179 94 F CB 1.116 40.100 39.000 -0.027 0.000 1.471 94 F HN 0.026 nan 8.300 nan 0.000 0.576 95 P HA -0.210 nan 4.420 nan 0.000 0.222 95 P C 1.536 178.877 177.300 0.067 0.000 1.142 95 P CA 1.327 64.439 63.100 0.020 0.000 0.788 95 P CB 0.483 32.167 31.700 -0.027 0.000 0.767 96 R N -0.560 119.997 120.500 0.094 0.000 2.075 96 R HA 0.132 4.472 4.340 -0.000 0.000 0.220 96 R C 2.591 178.956 176.300 0.108 0.000 1.118 96 R CA 0.653 56.806 56.100 0.089 0.000 0.986 96 R CB -0.634 29.706 30.300 0.067 0.000 0.884 96 R HN 0.022 nan 8.270 nan 0.000 0.439 97 M N 0.860 120.533 119.600 0.122 0.000 2.229 97 M HA -0.146 4.334 4.480 -0.000 0.000 0.264 97 M C 1.469 177.857 176.300 0.146 0.000 1.063 97 M CA 1.749 57.113 55.300 0.107 0.000 1.114 97 M CB -0.106 32.539 32.600 0.075 0.000 1.387 97 M HN 0.125 nan 8.290 nan 0.000 0.420 98 N N 0.540 119.339 118.700 0.165 0.000 2.289 98 N HA -0.192 4.548 4.740 -0.000 0.000 0.184 98 N C 1.326 176.964 175.510 0.213 0.000 1.016 98 N CA 1.535 54.699 53.050 0.190 0.000 0.872 98 N CB -0.161 38.406 38.487 0.133 0.000 0.973 98 N HN 0.399 nan 8.380 nan 0.000 0.433 99 N N -0.203 118.609 118.700 0.187 0.000 2.207 99 N HA -0.037 4.703 4.740 -0.000 0.000 0.182 99 N C 1.639 177.318 175.510 0.281 0.000 1.020 99 N CA 0.813 54.003 53.050 0.234 0.000 0.858 99 N CB -0.161 38.478 38.487 0.254 0.000 0.991 99 N HN 0.289 nan 8.380 nan 0.000 0.427 100 M N -0.329 119.402 119.600 0.219 0.000 2.159 100 M HA -0.105 4.375 4.480 -0.000 0.000 0.263 100 M C 1.757 178.134 176.300 0.129 0.000 1.063 100 M CA 1.136 56.546 55.300 0.184 0.000 1.110 100 M CB -0.080 32.587 32.600 0.110 0.000 1.374 100 M HN 0.052 nan 8.290 nan 0.000 0.411 101 S N 0.167 115.956 115.700 0.150 0.000 2.374 101 S HA -0.191 4.279 4.470 -0.000 0.000 0.227 101 S C 1.455 176.085 174.600 0.051 0.000 1.037 101 S CA 1.695 59.990 58.200 0.160 0.000 1.024 101 S CB -0.529 62.852 63.200 0.301 0.000 0.861 101 S HN 0.642 nan 8.310 nan 0.000 0.456 102 F N 0.509 120.350 119.950 -0.181 0.000 2.098 102 F HA 0.012 4.539 4.527 -0.000 0.000 0.294 102 F C 1.447 176.868 175.800 -0.631 0.000 1.107 102 F CA 0.972 58.549 58.000 -0.705 0.000 1.234 102 F CB -0.527 37.860 39.000 -1.022 0.000 1.002 102 F HN 0.209 nan 8.300 nan 0.000 0.472 103 W N 0.836 121.969 121.300 -0.279 0.000 2.848 103 W HA 0.014 4.674 4.660 -0.000 0.000 0.241 103 W C 1.671 178.011 176.519 -0.298 0.000 1.289 103 W CA 0.182 57.343 57.345 -0.308 0.000 1.396 103 W CB -0.389 29.062 29.460 -0.015 0.000 1.138 103 W HN 0.111 nan 8.180 nan 0.000 0.677 104 L N -0.790 120.320 121.223 -0.188 0.000 2.202 104 L HA -0.082 4.258 4.340 -0.000 0.000 0.205 104 L C 2.280 179.037 176.870 -0.188 0.000 1.083 104 L CA 0.489 55.265 54.840 -0.106 0.000 0.790 104 L CB -0.606 41.423 42.059 -0.050 0.000 0.942 104 L HN 0.010 nan 8.230 nan 0.000 0.452 105 L N 0.148 121.102 121.223 -0.448 0.000 2.013 105 L HA -0.189 4.151 4.340 -0.000 0.000 0.212 105 L C -0.189 176.496 176.870 -0.309 0.000 1.073 105 L CA 1.747 56.271 54.840 -0.528 0.000 0.753 105 L CB -2.004 39.340 42.059 -1.191 0.000 0.890 105 L HN 0.220 nan 8.230 nan 0.000 0.432 106 P HA -0.088 nan 4.420 nan 0.000 0.215 106 P C -1.291 176.057 177.300 0.080 0.000 1.157 106 P CA 1.484 64.638 63.100 0.091 0.000 0.863 106 P CB -0.835 30.906 31.700 0.069 0.000 0.787 107 P HA -0.147 nan 4.420 nan 0.000 0.216 107 P C 1.919 179.286 177.300 0.111 0.000 1.153 107 P CA 1.714 64.853 63.100 0.066 0.000 0.848 107 P CB -0.454 31.271 31.700 0.043 0.000 0.787 108 S N -1.617 114.151 115.700 0.114 0.000 2.359 108 S HA -0.206 4.264 4.470 -0.000 0.000 0.224 108 S C 1.844 176.658 174.600 0.357 0.000 1.035 108 S CA 1.186 59.520 58.200 0.224 0.000 1.018 108 S CB -1.186 62.185 63.200 0.285 0.000 0.876 108 S HN 0.050 nan 8.310 nan 0.000 0.448 109 F N 0.879 120.789 119.950 -0.066 0.000 2.134 109 F HA -0.089 4.438 4.527 -0.000 0.000 0.299 109 F C 2.132 177.972 175.800 0.068 0.000 1.097 109 F CA 1.025 58.906 58.000 -0.198 0.000 1.264 109 F CB -0.186 38.501 39.000 -0.522 0.000 1.001 109 F HN 0.311 nan 8.300 nan 0.000 0.479 110 L N 0.984 122.352 121.223 0.242 0.000 2.013 110 L HA -0.268 4.072 4.340 -0.000 0.000 0.212 110 L C 2.034 179.016 176.870 0.186 0.000 1.073 110 L CA 1.810 56.731 54.840 0.136 0.000 0.753 110 L CB -0.961 41.142 42.059 0.074 0.000 0.890 110 L HN 0.177 nan 8.230 nan 0.000 0.432 111 L N -1.087 120.256 121.223 0.201 0.000 2.012 111 L HA -0.265 4.075 4.340 -0.000 0.000 0.210 111 L C 2.626 179.629 176.870 0.221 0.000 1.073 111 L CA 1.849 56.803 54.840 0.190 0.000 0.748 111 L CB -0.732 41.437 42.059 0.184 0.000 0.891 111 L HN 0.430 nan 8.230 nan 0.000 0.431 112 L N -0.295 121.116 121.223 0.314 0.000 2.046 112 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 112 L C 2.466 179.537 176.870 0.335 0.000 1.077 112 L CA 1.334 56.374 54.840 0.332 0.000 0.747 112 L CB -0.066 42.270 42.059 0.462 0.000 0.896 112 L HN 0.189 nan 8.230 nan 0.000 0.432 113 L N -0.347 121.090 121.223 0.357 0.000 2.141 113 L HA -0.123 4.217 4.340 -0.000 0.000 0.209 113 L C 2.795 179.769 176.870 0.172 0.000 1.094 113 L CA 0.870 55.860 54.840 0.249 0.000 0.763 113 L CB -0.750 41.408 42.059 0.165 0.000 0.908 113 L HN 0.360 nan 8.230 nan 0.000 0.437 114 A N -0.075 122.840 122.820 0.158 0.000 1.969 114 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 114 A C 2.531 180.190 177.584 0.125 0.000 1.169 114 A CA 1.791 53.902 52.037 0.124 0.000 0.635 114 A CB -0.520 18.549 19.000 0.115 0.000 0.810 114 A HN 0.492 nan 8.150 nan 0.000 0.445 115 S N 0.337 116.123 115.700 0.143 0.000 2.428 115 S HA -0.115 4.355 4.470 -0.000 0.000 0.230 115 S C 1.927 176.607 174.600 0.133 0.000 1.014 115 S CA 1.588 59.867 58.200 0.130 0.000 0.957 115 S CB -0.649 62.626 63.200 0.126 0.000 0.784 115 S HN 0.883 nan 8.310 nan 0.000 0.499 116 S N 0.085 115.873 115.700 0.146 0.000 2.593 116 S HA 0.252 4.722 4.470 -0.000 0.000 0.217 116 S C 1.668 176.334 174.600 0.109 0.000 0.966 116 S CA -0.051 58.230 58.200 0.135 0.000 0.914 116 S CB -0.237 63.053 63.200 0.149 0.000 0.776 116 S HN 0.365 nan 8.310 nan 0.000 0.523 117 M N 1.887 121.549 119.600 0.103 0.000 2.412 117 M HA 0.277 4.757 4.480 -0.000 0.000 0.263 117 M C 1.102 177.446 176.300 0.074 0.000 1.122 117 M CA 0.517 55.866 55.300 0.083 0.000 1.179 117 M CB -0.676 31.971 32.600 0.078 0.000 1.335 117 M HN 0.399 nan 8.290 nan 0.000 0.465 118 V N -0.398 119.563 119.914 0.078 0.000 2.953 118 V HA 0.309 4.429 4.120 -0.000 0.000 0.304 118 V C 0.831 176.967 176.094 0.071 0.000 1.073 118 V CA -0.939 61.402 62.300 0.070 0.000 1.064 118 V CB 0.852 32.718 31.823 0.072 0.000 1.047 118 V HN 0.601 nan 8.190 nan 0.000 0.478 119 E N 2.338 122.573 120.200 0.059 0.000 3.401 119 E HA -0.344 4.006 4.350 -0.000 0.000 0.352 119 E C 0.900 177.533 176.600 0.055 0.000 1.523 119 E CA 2.067 58.498 56.400 0.053 0.000 1.794 119 E CB -1.649 28.087 29.700 0.059 0.000 1.792 119 E HN 1.554 nan 8.360 nan 0.000 0.471 120 A N 1.480 124.334 122.820 0.057 0.000 2.535 120 A HA 0.520 4.840 4.320 -0.000 0.000 0.273 120 A C 0.876 178.518 177.584 0.096 0.000 1.267 120 A CA 1.480 53.553 52.037 0.059 0.000 0.940 120 A CB -0.011 19.006 19.000 0.027 0.000 1.101 120 A HN 1.388 nan 8.150 nan 0.000 0.521 121 G N -0.978 107.891 108.800 0.115 0.000 2.782 121 G HA2 0.298 4.258 3.960 -0.000 0.000 0.228 121 G HA3 0.298 4.258 3.960 -0.000 0.000 0.228 121 G C 0.113 175.134 174.900 0.201 0.000 1.372 121 G CA -0.315 44.871 45.100 0.144 0.000 0.862 121 G HN 1.762 nan 8.290 nan 0.000 0.547 122 A N 0.220 123.153 122.820 0.188 0.000 2.690 122 A HA 0.730 5.050 4.320 -0.000 0.000 0.342 122 A C 0.855 178.528 177.584 0.148 0.000 1.410 122 A CA 0.859 52.992 52.037 0.161 0.000 0.958 122 A CB 0.268 19.313 19.000 0.075 0.000 1.153 122 A HN 2.303 nan 8.150 nan 0.000 0.497 123 G N 1.483 110.476 108.800 0.321 0.000 3.343 123 G HA2 0.346 4.306 3.960 -0.000 0.000 0.264 123 G HA3 0.346 4.306 3.960 -0.000 0.000 0.264 123 G C 0.759 175.734 174.900 0.124 0.000 0.884 123 G CA 0.594 45.825 45.100 0.218 0.000 1.916 123 G HN 0.789 nan 8.290 nan 0.000 0.618 124 T N -2.381 112.134 114.554 -0.065 0.000 3.010 124 T HA 0.494 4.844 4.350 -0.000 0.000 0.257 124 T C 1.120 175.734 174.700 -0.143 0.000 1.020 124 T CA 0.500 62.502 62.100 -0.163 0.000 0.938 124 T CB 0.536 69.222 68.868 -0.304 0.000 1.049 124 T HN 1.586 nan 8.240 nan 0.000 0.522 125 G N 1.644 110.381 108.800 -0.105 0.000 2.692 125 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.686 125 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.686 125 G C 0.285 175.055 174.900 -0.215 0.000 1.243 125 G CA -0.265 44.749 45.100 -0.144 0.000 0.782 125 G HN 0.597 nan 8.290 nan 0.000 0.625 126 W N 0.586 121.620 121.300 -0.443 0.000 2.525 126 W HA -0.041 4.619 4.660 -0.000 0.000 0.259 126 W C 1.519 177.923 176.519 -0.192 0.000 1.253 126 W CA 1.985 58.955 57.345 -0.625 0.000 1.262 126 W CB -1.331 27.714 29.460 -0.690 0.000 1.122 126 W HN 1.142 nan 8.180 nan 0.000 0.607 127 T N -1.337 112.602 114.554 -1.026 0.000 3.113 127 T HA 0.076 4.426 4.350 -0.000 0.000 0.256 127 T C 1.175 175.362 174.700 -0.854 0.000 1.131 127 T CA 0.702 61.850 62.100 -1.587 0.000 1.074 127 T CB -0.750 66.918 68.868 -2.000 0.000 0.944 127 T HN 0.139 nan 8.240 nan 0.000 0.516 128 V N 0.374 120.031 119.914 -0.429 0.000 4.614 128 V HA -0.253 3.867 4.120 -0.000 0.000 0.246 128 V C 0.395 176.266 176.094 -0.372 0.000 0.564 128 V CA 0.524 62.676 62.300 -0.247 0.000 0.790 128 V CB -3.050 28.742 31.823 -0.050 0.000 0.747 128 V HN 0.722 nan 8.190 nan 0.000 1.119 129 Y N 1.681 121.653 120.300 -0.545 0.000 2.712 129 Y HA 0.198 4.748 4.550 -0.000 0.000 0.333 129 Y C -0.808 174.752 175.900 -0.567 0.000 1.225 129 Y CA -1.430 56.261 58.100 -0.682 0.000 1.499 129 Y CB 0.718 38.959 38.460 -0.365 0.000 1.288 129 Y HN 0.272 nan 8.280 nan 0.000 0.575 130 P HA 0.206 nan 4.420 nan 0.000 0.283 130 P C -2.494 174.718 177.300 -0.146 0.000 1.271 130 P CA -2.118 60.806 63.100 -0.292 0.000 0.841 130 P CB 1.608 33.108 31.700 -0.334 0.000 1.122 131 P HA 0.080 nan 4.420 nan 0.000 0.245 131 P C 1.451 178.759 177.300 0.014 0.000 1.206 131 P CA -0.003 63.092 63.100 -0.009 0.000 0.781 131 P CB -0.062 31.654 31.700 0.026 0.000 0.994 132 L N 0.482 121.717 121.223 0.021 0.000 2.127 132 L HA -0.094 4.246 4.340 -0.000 0.000 0.211 132 L C 1.902 178.827 176.870 0.092 0.000 1.089 132 L CA 1.950 56.845 54.840 0.092 0.000 0.757 132 L CB -1.337 40.777 42.059 0.090 0.000 0.899 132 L HN -0.043 nan 8.230 nan 0.000 0.434 133 A N -0.933 121.838 122.820 -0.082 0.000 2.218 133 A HA 0.403 4.723 4.320 -0.000 0.000 0.209 133 A C 1.459 179.005 177.584 -0.062 0.000 1.168 133 A CA 0.347 52.275 52.037 -0.182 0.000 0.804 133 A CB -1.153 17.688 19.000 -0.265 0.000 0.834 133 A HN 0.469 nan 8.150 nan 0.000 0.482 134 G N 0.339 109.136 108.800 -0.005 0.000 2.699 134 G HA2 0.198 4.158 3.960 -0.000 0.000 0.246 134 G HA3 0.198 4.158 3.960 -0.000 0.000 0.246 134 G C 0.603 175.541 174.900 0.063 0.000 1.219 134 G CA 0.177 45.295 45.100 0.031 0.000 0.866 134 G HN 0.492 nan 8.290 nan 0.000 0.572 135 N N -0.398 118.335 118.700 0.055 0.000 2.571 135 N HA -0.051 4.689 4.740 -0.000 0.000 0.189 135 N C 1.374 176.916 175.510 0.053 0.000 1.154 135 N CA 0.517 53.600 53.050 0.056 0.000 0.907 135 N CB 0.100 38.614 38.487 0.045 0.000 0.977 135 N HN 0.317 nan 8.380 nan 0.000 0.449 136 L N -0.217 121.038 121.223 0.053 0.000 2.356 136 L HA 0.470 4.810 4.340 -0.000 0.000 0.193 136 L C 2.109 179.003 176.870 0.039 0.000 1.087 136 L CA 1.056 55.920 54.840 0.040 0.000 0.817 136 L CB -1.002 41.078 42.059 0.035 0.000 1.035 136 L HN 0.090 nan 8.230 nan 0.000 0.482 137 A N -1.850 121.006 122.820 0.060 0.000 2.119 137 A HA -0.079 4.241 4.320 -0.000 0.000 0.217 137 A C 0.416 178.022 177.584 0.038 0.000 1.153 137 A CA 1.104 53.175 52.037 0.057 0.000 0.692 137 A CB -0.744 18.317 19.000 0.101 0.000 0.799 137 A HN 0.670 nan 8.150 nan 0.000 0.458 138 H N -1.316 117.761 119.070 0.011 0.000 2.712 138 H HA 0.525 5.081 4.556 -0.000 0.000 0.226 138 H C 0.215 175.551 175.328 0.013 0.000 1.422 138 H CA -0.091 55.965 56.048 0.013 0.000 1.270 138 H CB 0.325 30.091 29.762 0.007 0.000 1.891 138 H HN 0.436 nan 8.280 nan 0.000 0.518 139 A N 0.733 123.596 122.820 0.071 0.000 2.448 139 A HA 0.571 4.891 4.320 -0.000 0.000 0.239 139 A C 1.074 178.693 177.584 0.059 0.000 1.080 139 A CA 0.793 52.863 52.037 0.055 0.000 0.779 139 A CB -0.224 18.794 19.000 0.030 0.000 1.026 139 A HN 0.877 nan 8.150 nan 0.000 0.499 140 G N -1.464 107.369 108.800 0.054 0.000 2.592 140 G HA2 0.360 4.320 3.960 -0.000 0.000 0.684 140 G HA3 0.360 4.320 3.960 -0.000 0.000 0.684 140 G C 0.675 175.612 174.900 0.063 0.000 1.291 140 G CA 0.229 45.363 45.100 0.056 0.000 0.891 140 G HN 1.985 nan 8.290 nan 0.000 0.544 141 A N -0.256 122.604 122.820 0.066 0.000 2.014 141 A HA 0.283 4.603 4.320 -0.000 0.000 0.218 141 A C 2.755 180.379 177.584 0.068 0.000 1.163 141 A CA 2.567 54.647 52.037 0.071 0.000 0.652 141 A CB -0.737 18.314 19.000 0.085 0.000 0.808 141 A HN 1.683 nan 8.150 nan 0.000 0.449 142 S N -0.283 115.468 115.700 0.084 0.000 2.414 142 S HA -0.241 4.229 4.470 -0.000 0.000 0.238 142 S C 1.874 176.507 174.600 0.054 0.000 1.055 142 S CA 1.974 60.230 58.200 0.093 0.000 1.174 142 S CB -0.712 62.570 63.200 0.136 0.000 1.087 142 S HN 0.376 nan 8.310 nan 0.000 0.428 143 V N 2.213 122.148 119.914 0.034 0.000 2.490 143 V HA -0.162 3.958 4.120 -0.000 0.000 0.250 143 V C 2.003 178.027 176.094 -0.117 0.000 1.061 143 V CA 1.785 64.057 62.300 -0.047 0.000 1.064 143 V CB -0.713 31.064 31.823 -0.076 0.000 0.670 143 V HN 0.413 nan 8.190 nan 0.000 0.461 144 D N -0.063 120.272 120.400 -0.109 0.000 2.178 144 D HA -0.107 4.533 4.640 -0.000 0.000 0.201 144 D C 2.136 178.255 176.300 -0.303 0.000 0.980 144 D CA 1.097 54.944 54.000 -0.255 0.000 0.842 144 D CB -0.067 40.646 40.800 -0.145 0.000 0.948 144 D HN 0.356 nan 8.370 nan 0.000 0.472 145 L N 0.539 121.736 121.223 -0.044 0.000 2.056 145 L HA -0.128 4.212 4.340 -0.000 0.000 0.207 145 L C 2.508 179.375 176.870 -0.004 0.000 1.078 145 L CA 1.067 55.959 54.840 0.086 0.000 0.749 145 L CB -0.710 41.422 42.059 0.122 0.000 0.901 145 L HN -0.006 nan 8.230 nan 0.000 0.433 146 T N 0.374 114.887 114.554 -0.069 0.000 2.759 146 T HA -0.195 4.155 4.350 -0.000 0.000 0.269 146 T C 1.906 176.421 174.700 -0.307 0.000 1.042 146 T CA 1.414 63.421 62.100 -0.154 0.000 1.140 146 T CB -0.204 68.612 68.868 -0.087 0.000 0.864 146 T HN 0.186 nan 8.240 nan 0.000 0.455 147 I N 0.104 120.460 120.570 -0.357 0.000 2.113 147 I HA -0.145 4.025 4.170 -0.000 0.000 0.238 147 I C 2.074 177.868 176.117 -0.538 0.000 1.070 147 I CA 1.434 62.422 61.300 -0.520 0.000 1.332 147 I CB -0.390 37.231 38.000 -0.632 0.000 1.044 147 I HN 0.155 nan 8.210 nan 0.000 0.402 148 F N 0.623 120.396 119.950 -0.294 0.000 2.161 148 F HA -0.253 4.274 4.527 -0.000 0.000 0.300 148 F C 2.973 178.706 175.800 -0.110 0.000 1.089 148 F CA 1.571 59.465 58.000 -0.176 0.000 1.282 148 F CB -1.308 37.660 39.000 -0.052 0.000 1.010 148 F HN 0.061 nan 8.300 nan 0.000 0.485 149 S N 0.054 115.784 115.700 0.050 0.000 2.368 149 S HA -0.151 4.319 4.470 -0.000 0.000 0.225 149 S C 2.145 176.665 174.600 -0.133 0.000 1.030 149 S CA 1.053 59.263 58.200 0.017 0.000 0.999 149 S CB -0.393 62.807 63.200 0.001 0.000 0.844 149 S HN 0.364 nan 8.310 nan 0.000 0.459 150 L N 0.181 121.204 121.223 -0.334 0.000 2.141 150 L HA -0.043 4.297 4.340 -0.000 0.000 0.209 150 L C 2.457 179.214 176.870 -0.188 0.000 1.094 150 L CA 1.370 55.927 54.840 -0.472 0.000 0.763 150 L CB -0.572 41.132 42.059 -0.591 0.000 0.908 150 L HN 0.485 nan 8.230 nan 0.000 0.437 151 H N -0.424 118.561 119.070 -0.142 0.000 2.293 151 H HA -0.161 4.395 4.556 -0.000 0.000 0.300 151 H C 2.362 177.661 175.328 -0.048 0.000 1.082 151 H CA 1.165 57.172 56.048 -0.069 0.000 1.308 151 H CB 0.116 29.908 29.762 0.051 0.000 1.375 151 H HN 0.216 nan 8.280 nan 0.000 0.495 152 L N 0.193 121.494 121.223 0.130 0.000 2.012 152 L HA -0.188 4.152 4.340 -0.000 0.000 0.210 152 L C 2.924 179.822 176.870 0.048 0.000 1.073 152 L CA 0.927 55.811 54.840 0.072 0.000 0.748 152 L CB -0.637 41.470 42.059 0.079 0.000 0.891 152 L HN 0.335 nan 8.230 nan 0.000 0.431 153 A N 0.333 123.174 122.820 0.036 0.000 1.972 153 A HA -0.111 4.209 4.320 -0.000 0.000 0.219 153 A C 2.369 179.968 177.584 0.025 0.000 1.169 153 A CA 1.726 53.793 52.037 0.051 0.000 0.635 153 A CB -1.024 17.944 19.000 -0.054 0.000 0.810 153 A HN 0.471 nan 8.150 nan 0.000 0.446 154 G N -0.562 108.220 108.800 -0.031 0.000 2.404 154 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.214 154 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.214 154 G C 1.510 176.408 174.900 -0.004 0.000 1.189 154 G CA 1.098 46.179 45.100 -0.033 0.000 0.789 154 G HN 0.283 nan 8.290 nan 0.000 0.533 155 V N 1.303 121.212 119.914 -0.010 0.000 2.282 155 V HA -0.242 3.878 4.120 -0.000 0.000 0.249 155 V C 3.102 179.211 176.094 0.024 0.000 1.057 155 V CA 2.424 64.719 62.300 -0.008 0.000 1.032 155 V CB -0.777 31.036 31.823 -0.016 0.000 0.645 155 V HN 0.536 nan 8.190 nan 0.000 0.447 156 S N 0.086 115.810 115.700 0.039 0.000 2.377 156 S HA -0.284 4.186 4.470 -0.000 0.000 0.224 156 S C 2.130 176.788 174.600 0.096 0.000 1.042 156 S CA 2.535 60.775 58.200 0.067 0.000 1.086 156 S CB -0.550 62.683 63.200 0.055 0.000 0.995 156 S HN 0.592 nan 8.310 nan 0.000 0.428 157 S N 0.928 116.684 115.700 0.093 0.000 2.423 157 S HA 0.104 4.574 4.470 -0.000 0.000 0.231 157 S C 1.731 176.377 174.600 0.077 0.000 1.014 157 S CA 1.135 59.389 58.200 0.089 0.000 0.965 157 S CB -0.440 62.817 63.200 0.096 0.000 0.785 157 S HN 0.530 nan 8.310 nan 0.000 0.495 158 I N 1.238 121.845 120.570 0.062 0.000 2.163 158 I HA -0.157 4.013 4.170 -0.000 0.000 0.240 158 I C 2.039 178.196 176.117 0.067 0.000 1.081 158 I CA 1.049 62.382 61.300 0.055 0.000 1.353 158 I CB -0.302 37.714 38.000 0.026 0.000 1.054 158 I HN 0.239 nan 8.210 nan 0.000 0.407 159 L N 0.329 121.589 121.223 0.062 0.000 2.043 159 L HA -0.199 4.141 4.340 -0.000 0.000 0.212 159 L C 2.658 179.613 176.870 0.141 0.000 1.075 159 L CA 1.747 56.630 54.840 0.072 0.000 0.752 159 L CB -1.374 40.722 42.059 0.061 0.000 0.891 159 L HN 0.364 nan 8.230 nan 0.000 0.432 160 G N -0.456 108.446 108.800 0.169 0.000 2.442 160 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.219 160 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.219 160 G C 1.755 176.838 174.900 0.305 0.000 1.141 160 G CA 0.845 46.102 45.100 0.260 0.000 0.763 160 G HN 0.490 nan 8.290 nan 0.000 0.554 161 A N 0.556 123.477 122.820 0.169 0.000 1.930 161 A HA 0.119 4.439 4.320 -0.000 0.000 0.217 161 A C 2.379 180.081 177.584 0.197 0.000 1.175 161 A CA 1.072 53.200 52.037 0.152 0.000 0.627 161 A CB -0.282 18.771 19.000 0.089 0.000 0.815 161 A HN 0.381 nan 8.150 nan 0.000 0.443 162 I N -0.194 120.477 120.570 0.169 0.000 2.142 162 I HA -0.287 3.883 4.170 -0.000 0.000 0.240 162 I C 2.530 178.795 176.117 0.247 0.000 1.078 162 I CA 1.395 62.791 61.300 0.162 0.000 1.343 162 I CB -0.480 37.575 38.000 0.090 0.000 1.046 162 I HN 0.370 nan 8.210 nan 0.000 0.405 163 N N 1.035 119.910 118.700 0.291 0.000 2.018 163 N HA -0.229 4.511 4.740 -0.000 0.000 0.196 163 N C 1.911 177.458 175.510 0.062 0.000 1.043 163 N CA 1.941 55.147 53.050 0.260 0.000 0.856 163 N CB -0.336 38.269 38.487 0.196 0.000 1.042 163 N HN 0.165 nan 8.380 nan 0.000 0.423 164 F N 1.077 121.051 119.950 0.040 0.000 2.202 164 F HA -0.048 4.479 4.527 -0.000 0.000 0.301 164 F C 2.315 178.101 175.800 -0.025 0.000 1.082 164 F CA 0.687 58.679 58.000 -0.012 0.000 1.313 164 F CB -0.222 38.765 39.000 -0.020 0.000 1.024 164 F HN 0.077 nan 8.300 nan 0.000 0.495 165 I N -1.306 119.367 120.570 0.172 0.000 2.339 165 I HA -0.202 3.968 4.170 -0.000 0.000 0.245 165 I C 2.242 178.377 176.117 0.031 0.000 1.096 165 I CA 1.230 62.585 61.300 0.092 0.000 1.408 165 I CB -0.840 37.221 38.000 0.103 0.000 1.092 165 I HN -0.008 nan 8.210 nan 0.000 0.423 166 T N 0.301 114.889 114.554 0.057 0.000 2.652 166 T HA -0.185 4.165 4.350 -0.000 0.000 0.267 166 T C 1.929 176.560 174.700 -0.114 0.000 1.039 166 T CA 2.201 64.307 62.100 0.011 0.000 1.153 166 T CB -0.502 68.419 68.868 0.089 0.000 0.863 166 T HN 0.337 nan 8.240 nan 0.000 0.428 167 T N 2.374 116.825 114.554 -0.172 0.000 2.622 167 T HA -0.034 4.316 4.350 -0.000 0.000 0.266 167 T C 1.964 176.545 174.700 -0.197 0.000 1.047 167 T CA 1.206 63.158 62.100 -0.247 0.000 1.159 167 T CB -0.545 68.121 68.868 -0.336 0.000 0.863 167 T HN 0.335 nan 8.240 nan 0.000 0.422 168 I N 0.584 121.063 120.570 -0.150 0.000 2.700 168 I HA -0.120 4.050 4.170 -0.000 0.000 0.261 168 I C 1.849 177.860 176.117 -0.177 0.000 1.219 168 I CA 0.641 61.846 61.300 -0.159 0.000 1.463 168 I CB -0.318 37.606 38.000 -0.126 0.000 1.092 168 I HN 0.238 nan 8.210 nan 0.000 0.452 169 I N 0.155 120.642 120.570 -0.138 0.000 2.499 169 I HA -0.115 4.055 4.170 -0.000 0.000 0.243 169 I C 2.148 178.189 176.117 -0.127 0.000 1.085 169 I CA 1.275 62.498 61.300 -0.128 0.000 1.422 169 I CB -1.339 36.615 38.000 -0.077 0.000 1.165 169 I HN 0.197 nan 8.210 nan 0.000 0.440 170 N N 0.853 119.480 118.700 -0.122 0.000 2.300 170 N HA 0.000 4.740 4.740 -0.000 0.000 0.179 170 N C 1.277 176.702 175.510 -0.143 0.000 1.016 170 N CA 0.869 53.846 53.050 -0.121 0.000 0.876 170 N CB 0.023 38.439 38.487 -0.119 0.000 0.979 170 N HN 0.181 nan 8.380 nan 0.000 0.432 171 M N 0.307 119.803 119.600 -0.173 0.000 2.723 171 M HA 0.161 4.641 4.480 -0.000 0.000 0.270 171 M C -0.437 175.754 176.300 -0.183 0.000 1.282 171 M CA 0.021 55.210 55.300 -0.185 0.000 0.995 171 M CB 0.370 32.834 32.600 -0.227 0.000 1.430 171 M HN -0.129 nan 8.290 nan 0.000 0.477 172 K N 0.912 121.214 120.400 -0.164 0.000 2.087 172 K HA 0.462 4.782 4.320 -0.000 0.000 0.255 172 K C -2.455 174.066 176.600 -0.133 0.000 0.988 172 K CA -1.798 54.393 56.287 -0.160 0.000 0.915 172 K CB 0.397 32.802 32.500 -0.159 0.000 1.043 172 K HN -0.140 nan 8.250 nan 0.000 0.457 173 P HA 0.013 nan 4.420 nan 0.000 0.264 173 P C -2.128 175.114 177.300 -0.096 0.000 1.193 173 P CA -0.878 62.162 63.100 -0.100 0.000 0.763 173 P CB 0.246 31.893 31.700 -0.088 0.000 0.810 174 P HA -0.308 nan 4.420 nan 0.000 0.221 174 P C 0.967 178.219 177.300 -0.080 0.000 1.153 174 P CA 2.160 65.211 63.100 -0.081 0.000 0.858 174 P CB -0.137 31.516 31.700 -0.077 0.000 0.783 175 A N -2.236 120.530 122.820 -0.090 0.000 2.147 175 A HA 0.100 4.420 4.320 -0.000 0.000 0.211 175 A C 1.249 178.794 177.584 -0.064 0.000 1.160 175 A CA -0.021 51.968 52.037 -0.080 0.000 0.781 175 A CB -0.711 18.227 19.000 -0.104 0.000 0.842 175 A HN 0.157 nan 8.150 nan 0.000 0.475 176 M N 2.469 122.026 119.600 -0.073 0.000 2.194 176 M HA 0.242 4.722 4.480 -0.000 0.000 0.347 176 M C 0.282 176.533 176.300 -0.081 0.000 1.439 176 M CA -0.214 55.045 55.300 -0.068 0.000 1.131 176 M CB 0.472 33.025 32.600 -0.079 0.000 1.733 176 M HN 0.432 nan 8.290 nan 0.000 0.467 177 S N 3.356 119.019 115.700 -0.061 0.000 2.681 177 S HA 0.180 4.650 4.470 -0.000 0.000 0.270 177 S C 0.607 175.099 174.600 -0.179 0.000 1.209 177 S CA -0.640 57.502 58.200 -0.096 0.000 0.988 177 S CB 1.373 64.561 63.200 -0.020 0.000 1.006 177 S HN 0.811 nan 8.310 nan 0.000 0.558 178 Q N -0.418 119.174 119.800 -0.348 0.000 2.226 178 Q HA -0.018 4.322 4.340 -0.000 0.000 0.204 178 Q C 0.370 176.209 176.000 -0.268 0.000 0.975 178 Q CA 1.611 57.114 55.803 -0.499 0.000 0.866 178 Q CB -0.550 27.808 28.738 -0.634 0.000 0.915 178 Q HN 0.833 nan 8.270 nan 0.000 0.440 179 Y N -0.667 119.813 120.300 0.300 0.000 2.471 179 Y HA 0.183 4.733 4.550 -0.000 0.000 0.321 179 Y C 0.932 176.986 175.900 0.256 0.000 1.195 179 Y CA 0.189 58.586 58.100 0.496 0.000 1.272 179 Y CB -0.011 38.676 38.460 0.379 0.000 1.097 179 Y HN 0.118 nan 8.280 nan 0.000 0.507 180 Q N -0.716 119.198 119.800 0.189 0.000 2.140 180 Q HA 0.096 4.436 4.340 -0.000 0.000 0.227 180 Q C 0.595 176.629 176.000 0.057 0.000 0.798 180 Q CA -0.046 55.783 55.803 0.042 0.000 0.987 180 Q CB 0.883 29.622 28.738 0.002 0.000 1.161 180 Q HN 0.335 nan 8.270 nan 0.000 0.480 181 T N -1.501 113.122 114.554 0.115 0.000 2.922 181 T HA 0.576 4.926 4.350 -0.000 0.000 0.285 181 T C -2.565 172.330 174.700 0.326 0.000 1.005 181 T CA -2.117 60.029 62.100 0.076 0.000 1.061 181 T CB 1.269 70.034 68.868 -0.172 0.000 1.007 181 T HN -0.212 nan 8.240 nan 0.000 0.502 182 P HA 0.220 nan 4.420 nan 0.000 0.271 182 P C 1.160 178.848 177.300 0.647 0.000 1.218 182 P CA -0.513 62.894 63.100 0.512 0.000 0.780 182 P CB 0.420 32.420 31.700 0.499 0.000 0.901 183 L N 1.209 122.880 121.223 0.747 0.000 2.081 183 L HA -0.226 4.114 4.340 -0.000 0.000 0.212 183 L C 2.152 179.331 176.870 0.515 0.000 1.080 183 L CA 1.642 56.848 54.840 0.610 0.000 0.754 183 L CB -0.670 41.689 42.059 0.499 0.000 0.893 183 L HN 0.377 nan 8.230 nan 0.000 0.433 184 F N 0.067 120.222 119.950 0.342 0.000 2.216 184 F HA -0.182 4.345 4.527 -0.000 0.000 0.300 184 F C 2.174 178.063 175.800 0.147 0.000 1.085 184 F CA 1.311 59.342 58.000 0.050 0.000 1.326 184 F CB -0.143 38.649 39.000 -0.347 0.000 1.027 184 F HN -0.249 nan 8.300 nan 0.000 0.497 185 V N -1.217 118.823 119.914 0.209 0.000 2.453 185 V HA -0.280 3.840 4.120 -0.000 0.000 0.247 185 V C 2.050 178.157 176.094 0.022 0.000 1.048 185 V CA 1.732 64.062 62.300 0.051 0.000 1.049 185 V CB -0.926 30.946 31.823 0.082 0.000 0.672 185 V HN 0.492 nan 8.190 nan 0.000 0.457 186 W N 0.905 122.224 121.300 0.033 0.000 2.352 186 W HA -0.272 4.388 4.660 -0.000 0.000 0.322 186 W C 3.093 179.586 176.519 -0.043 0.000 1.208 186 W CA 2.220 59.575 57.345 0.017 0.000 1.286 186 W CB -0.564 28.919 29.460 0.039 0.000 1.167 186 W HN 0.329 nan 8.180 nan 0.000 0.469 187 S N 0.157 115.994 115.700 0.229 0.000 2.381 187 S HA -0.294 4.176 4.470 -0.000 0.000 0.230 187 S C 1.663 176.211 174.600 -0.086 0.000 1.052 187 S CA 2.224 60.458 58.200 0.058 0.000 1.068 187 S CB -1.261 61.946 63.200 0.012 0.000 0.918 187 S HN 0.089 nan 8.310 nan 0.000 0.448 188 V N 1.680 121.430 119.914 -0.274 0.000 2.490 188 V HA -0.118 4.002 4.120 -0.000 0.000 0.250 188 V C 2.630 178.670 176.094 -0.090 0.000 1.061 188 V CA 2.144 64.267 62.300 -0.295 0.000 1.064 188 V CB -0.782 30.797 31.823 -0.407 0.000 0.670 188 V HN 0.582 nan 8.190 nan 0.000 0.461 189 M N -0.561 119.051 119.600 0.020 0.000 2.123 189 M HA -0.118 4.362 4.480 -0.000 0.000 0.263 189 M C 2.190 178.554 176.300 0.107 0.000 1.069 189 M CA 1.985 57.334 55.300 0.081 0.000 1.133 189 M CB -0.173 32.476 32.600 0.083 0.000 1.356 189 M HN 0.245 nan 8.290 nan 0.000 0.415 190 I N -0.282 120.380 120.570 0.155 0.000 2.151 190 I HA -0.351 3.819 4.170 -0.000 0.000 0.243 190 I C 2.217 178.393 176.117 0.098 0.000 1.080 190 I CA 1.744 63.133 61.300 0.149 0.000 1.339 190 I CB -0.872 37.219 38.000 0.152 0.000 1.039 190 I HN 0.330 nan 8.210 nan 0.000 0.409 191 T N 0.709 115.287 114.554 0.039 0.000 2.699 191 T HA -0.222 4.128 4.350 -0.000 0.000 0.268 191 T C 2.017 176.718 174.700 0.003 0.000 1.036 191 T CA 1.628 63.725 62.100 -0.005 0.000 1.147 191 T CB -0.345 68.468 68.868 -0.091 0.000 0.862 191 T HN 0.526 nan 8.240 nan 0.000 0.446 192 A N 0.665 123.481 122.820 -0.007 0.000 1.940 192 A HA -0.062 4.258 4.320 -0.000 0.000 0.219 192 A C 2.560 180.190 177.584 0.077 0.000 1.176 192 A CA 1.412 53.460 52.037 0.018 0.000 0.631 192 A CB -0.883 18.152 19.000 0.057 0.000 0.814 192 A HN 0.387 nan 8.150 nan 0.000 0.446 193 V N 0.285 120.260 119.914 0.102 0.000 2.307 193 V HA -0.226 3.894 4.120 -0.000 0.000 0.245 193 V C 2.550 178.755 176.094 0.186 0.000 1.045 193 V CA 1.717 64.094 62.300 0.127 0.000 1.024 193 V CB -0.761 31.139 31.823 0.129 0.000 0.651 193 V HN 0.566 nan 8.190 nan 0.000 0.449 194 L N -0.520 120.839 121.223 0.228 0.000 2.013 194 L HA -0.251 4.089 4.340 -0.000 0.000 0.212 194 L C 2.501 179.521 176.870 0.252 0.000 1.073 194 L CA 1.841 56.879 54.840 0.330 0.000 0.753 194 L CB -0.826 41.314 42.059 0.135 0.000 0.890 194 L HN 0.331 nan 8.230 nan 0.000 0.432 195 L N -0.636 120.673 121.223 0.143 0.000 2.042 195 L HA -0.268 4.072 4.340 -0.000 0.000 0.210 195 L C 2.646 179.606 176.870 0.151 0.000 1.076 195 L CA 0.966 55.886 54.840 0.134 0.000 0.749 195 L CB -0.550 41.557 42.059 0.080 0.000 0.893 195 L HN 0.240 nan 8.230 nan 0.000 0.432 196 L N -0.357 120.947 121.223 0.135 0.000 2.012 196 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 196 L C 2.312 179.259 176.870 0.127 0.000 1.073 196 L CA 1.780 56.686 54.840 0.109 0.000 0.748 196 L CB -0.285 41.828 42.059 0.089 0.000 0.891 196 L HN 0.100 nan 8.230 nan 0.000 0.431 197 L N -1.203 120.127 121.223 0.179 0.000 2.023 197 L HA -0.131 4.209 4.340 -0.000 0.000 0.205 197 L C 2.721 179.790 176.870 0.332 0.000 1.073 197 L CA 1.397 56.353 54.840 0.194 0.000 0.745 197 L CB -0.901 41.187 42.059 0.048 0.000 0.900 197 L HN 0.494 nan 8.230 nan 0.000 0.435 198 S N 0.085 116.046 115.700 0.435 0.000 2.371 198 S HA -0.138 4.332 4.470 -0.000 0.000 0.224 198 S C 2.035 176.821 174.600 0.309 0.000 1.029 198 S CA 0.728 59.135 58.200 0.345 0.000 0.978 198 S CB -0.683 62.584 63.200 0.112 0.000 0.833 198 S HN 0.308 nan 8.310 nan 0.000 0.466 199 L N 1.717 123.076 121.223 0.227 0.000 2.079 199 L HA -0.011 4.329 4.340 -0.000 0.000 0.210 199 L C -0.694 176.136 176.870 -0.068 0.000 1.081 199 L CA 1.342 56.191 54.840 0.017 0.000 0.752 199 L CB -1.403 40.670 42.059 0.024 0.000 0.896 199 L HN 0.329 nan 8.230 nan 0.000 0.433 200 P HA -0.109 nan 4.420 nan 0.000 0.220 200 P C 1.822 179.096 177.300 -0.043 0.000 1.148 200 P CA 0.909 63.991 63.100 -0.030 0.000 0.803 200 P CB 0.118 31.820 31.700 0.002 0.000 0.782 201 V N 0.016 119.939 119.914 0.013 0.000 2.244 201 V HA -0.212 3.908 4.120 -0.000 0.000 0.244 201 V C 2.387 178.423 176.094 -0.096 0.000 1.042 201 V CA 1.675 63.982 62.300 0.010 0.000 1.006 201 V CB -1.390 30.551 31.823 0.196 0.000 0.641 201 V HN 0.052 nan 8.190 nan 0.000 0.446 202 L N 1.039 122.141 121.223 -0.202 0.000 2.129 202 L HA -0.162 4.178 4.340 -0.000 0.000 0.212 202 L C 2.309 179.000 176.870 -0.299 0.000 1.087 202 L CA 2.445 57.023 54.840 -0.436 0.000 0.757 202 L CB -0.766 40.626 42.059 -1.111 0.000 0.896 202 L HN 0.224 nan 8.230 nan 0.000 0.434 203 A N -0.531 122.163 122.820 -0.210 0.000 1.929 203 A HA 0.031 4.351 4.320 -0.000 0.000 0.216 203 A C 2.467 180.021 177.584 -0.050 0.000 1.176 203 A CA 1.460 53.441 52.037 -0.093 0.000 0.628 203 A CB -1.061 17.857 19.000 -0.136 0.000 0.816 203 A HN 0.593 nan 8.150 nan 0.000 0.444 204 A N -0.242 122.525 122.820 -0.088 0.000 1.877 204 A HA 0.134 4.454 4.320 -0.000 0.000 0.216 204 A C 2.420 179.957 177.584 -0.079 0.000 1.186 204 A CA 1.963 53.947 52.037 -0.088 0.000 0.620 204 A CB -1.468 17.472 19.000 -0.100 0.000 0.822 204 A HN 0.688 nan 8.150 nan 0.000 0.443 205 G N 0.935 109.681 108.800 -0.091 0.000 2.480 205 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.216 205 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.216 205 G C 1.501 176.410 174.900 0.016 0.000 1.200 205 G CA 1.390 46.445 45.100 -0.076 0.000 0.782 205 G HN 0.952 nan 8.290 nan 0.000 0.554 206 I N -1.216 119.338 120.570 -0.028 0.000 3.083 206 I HA 0.023 4.193 4.170 -0.000 0.000 0.273 206 I C 2.059 178.200 176.117 0.040 0.000 1.297 206 I CA 1.523 62.840 61.300 0.030 0.000 1.452 206 I CB -0.399 37.549 38.000 -0.087 0.000 1.078 206 I HN -0.023 nan 8.210 nan 0.000 0.484 207 T N 1.028 115.631 114.554 0.081 0.000 2.937 207 T HA 0.122 4.472 4.350 -0.000 0.000 0.260 207 T C 1.879 176.616 174.700 0.061 0.000 1.051 207 T CA 1.182 63.341 62.100 0.098 0.000 1.141 207 T CB -0.062 68.856 68.868 0.083 0.000 0.879 207 T HN 0.313 nan 8.240 nan 0.000 0.459 208 M N 0.645 120.256 119.600 0.018 0.000 2.132 208 M HA 0.005 4.485 4.480 -0.000 0.000 0.263 208 M C 2.237 178.751 176.300 0.357 0.000 1.065 208 M CA 1.236 56.512 55.300 -0.041 0.000 1.122 208 M CB -0.463 31.919 32.600 -0.362 0.000 1.365 208 M HN 0.167 nan 8.290 nan 0.000 0.411 209 L N 0.689 122.188 121.223 0.460 0.000 2.131 209 L HA -0.146 4.194 4.340 -0.000 0.000 0.210 209 L C 2.092 179.057 176.870 0.158 0.000 1.092 209 L CA 1.529 56.584 54.840 0.358 0.000 0.759 209 L CB -0.679 41.505 42.059 0.208 0.000 0.903 209 L HN 0.239 nan 8.230 nan 0.000 0.435 210 L N -0.817 120.453 121.223 0.077 0.000 2.056 210 L HA -0.131 4.209 4.340 -0.000 0.000 0.207 210 L C 2.529 179.437 176.870 0.064 0.000 1.078 210 L CA 2.312 57.147 54.840 -0.009 0.000 0.749 210 L CB -0.972 41.033 42.059 -0.090 0.000 0.901 210 L HN 0.559 nan 8.230 nan 0.000 0.433 211 T N -4.037 110.595 114.554 0.130 0.000 2.737 211 T HA -0.171 4.179 4.350 -0.000 0.000 0.265 211 T C 1.694 176.481 174.700 0.145 0.000 1.038 211 T CA 1.212 63.404 62.100 0.153 0.000 1.144 211 T CB -0.781 68.222 68.868 0.225 0.000 0.866 211 T HN 0.272 nan 8.240 nan 0.000 0.434 212 D N 1.522 122.040 120.400 0.197 0.000 2.158 212 D HA -0.073 4.567 4.640 -0.000 0.000 0.197 212 D C 2.366 178.723 176.300 0.096 0.000 0.995 212 D CA 1.044 55.133 54.000 0.149 0.000 0.846 212 D CB -0.218 40.721 40.800 0.232 0.000 0.941 212 D HN 0.492 nan 8.370 nan 0.000 0.456 213 R N -0.440 120.113 120.500 0.088 0.000 2.275 213 R HA 0.168 4.508 4.340 -0.000 0.000 0.199 213 R C 0.872 177.201 176.300 0.047 0.000 0.989 213 R CA 0.514 56.646 56.100 0.054 0.000 1.016 213 R CB 0.277 30.594 30.300 0.029 0.000 0.918 213 R HN 0.191 nan 8.270 nan 0.000 0.473 214 N N -1.015 117.718 118.700 0.056 0.000 2.011 214 N HA 0.105 4.845 4.740 -0.000 0.000 0.228 214 N C 0.611 176.155 175.510 0.057 0.000 1.378 214 N CA 0.122 53.205 53.050 0.055 0.000 0.852 214 N CB 1.133 39.658 38.487 0.064 0.000 1.111 214 N HN 0.076 nan 8.380 nan 0.000 0.497 215 L N 0.622 121.882 121.223 0.061 0.000 2.966 215 L HA 0.272 4.612 4.340 -0.000 0.000 0.262 215 L C -0.174 176.714 176.870 0.030 0.000 1.165 215 L CA 0.080 54.952 54.840 0.052 0.000 0.978 215 L CB 0.168 42.270 42.059 0.072 0.000 1.337 215 L HN -0.046 nan 8.230 nan 0.000 0.563 216 N N 0.677 119.391 118.700 0.023 0.000 2.776 216 N HA -0.131 4.609 4.740 -0.000 0.000 0.250 216 N C 0.510 175.994 175.510 -0.044 0.000 1.112 216 N CA 1.270 54.318 53.050 -0.004 0.000 0.733 216 N CB -1.505 36.978 38.487 -0.008 0.000 1.097 216 N HN 0.517 nan 8.380 nan 0.000 0.558 217 T N -2.493 112.035 114.554 -0.044 0.000 2.770 217 T HA 0.573 4.923 4.350 -0.000 0.000 0.281 217 T C 1.093 175.668 174.700 -0.208 0.000 0.981 217 T CA 0.335 62.324 62.100 -0.185 0.000 0.955 217 T CB 1.634 70.405 68.868 -0.162 0.000 1.060 217 T HN 0.285 nan 8.240 nan 0.000 0.531 218 T N -1.869 112.435 114.554 -0.416 0.000 4.003 218 T HA 0.326 4.676 4.350 -0.000 0.000 0.239 218 T C 0.348 174.808 174.700 -0.400 0.000 0.992 218 T CA -0.666 61.270 62.100 -0.274 0.000 1.317 218 T CB -1.038 67.716 68.868 -0.189 0.000 0.940 218 T HN 0.435 nan 8.240 nan 0.000 0.593 219 F N 0.688 120.413 119.950 -0.374 0.000 2.234 219 F HA 0.213 4.740 4.527 -0.000 0.000 0.299 219 F C 1.097 176.440 175.800 -0.761 0.000 1.087 219 F CA 0.846 58.411 58.000 -0.725 0.000 1.340 219 F CB -0.223 37.996 39.000 -1.302 0.000 1.031 219 F HN 0.397 nan 8.300 nan 0.000 0.500 220 F N -1.527 118.538 119.950 0.191 0.000 2.735 220 F HA 0.245 4.772 4.527 -0.000 0.000 0.308 220 F C -0.228 175.600 175.800 0.048 0.000 1.112 220 F CA -0.946 57.125 58.000 0.117 0.000 1.235 220 F CB -0.050 39.018 39.000 0.113 0.000 1.027 220 F HN -0.288 nan 8.300 nan 0.000 0.528 221 D N 1.334 121.799 120.400 0.108 0.000 2.414 221 D HA 0.313 4.953 4.640 -0.000 0.000 0.232 221 D C -2.054 174.260 176.300 0.023 0.000 1.070 221 D CA -2.570 51.465 54.000 0.059 0.000 0.839 221 D CB 2.181 42.996 40.800 0.025 0.000 1.079 221 D HN -0.134 nan 8.370 nan 0.000 0.521 222 P HA -0.105 nan 4.420 nan 0.000 0.218 222 P C 1.093 178.395 177.300 0.004 0.000 1.148 222 P CA 1.269 64.382 63.100 0.022 0.000 0.822 222 P CB 0.208 31.926 31.700 0.030 0.000 0.784 223 A N -0.203 122.618 122.820 0.002 0.000 1.997 223 A HA -0.132 4.188 4.320 -0.000 0.000 0.221 223 A C 2.208 179.778 177.584 -0.023 0.000 1.172 223 A CA 2.127 54.160 52.037 -0.007 0.000 0.645 223 A CB -1.671 17.326 19.000 -0.005 0.000 0.813 223 A HN 0.345 nan 8.150 nan 0.000 0.454 224 G N -3.229 105.547 108.800 -0.040 0.000 3.277 224 G HA2 0.423 4.383 3.960 -0.000 0.000 0.243 224 G HA3 0.423 4.383 3.960 -0.000 0.000 0.243 224 G C 0.984 175.840 174.900 -0.073 0.000 1.107 224 G CA 0.602 45.662 45.100 -0.066 0.000 0.771 224 G HN 1.625 nan 8.290 nan 0.000 0.544 225 G N -1.008 107.764 108.800 -0.046 0.000 2.195 225 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.224 225 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.224 225 G C 0.895 175.776 174.900 -0.031 0.000 0.990 225 G CA 0.142 45.220 45.100 -0.036 0.000 0.639 225 G HN 1.006 nan 8.290 nan 0.000 0.514 226 G N -0.576 108.197 108.800 -0.045 0.000 2.631 226 G HA2 0.447 4.407 3.960 -0.000 0.000 0.271 226 G HA3 0.447 4.407 3.960 -0.000 0.000 0.271 226 G C -0.552 174.385 174.900 0.062 0.000 1.302 226 G CA 0.833 45.919 45.100 -0.024 0.000 1.002 226 G HN 0.611 nan 8.290 nan 0.000 0.519 227 D N -1.479 119.009 120.400 0.147 0.000 2.861 227 D HA 0.301 4.941 4.640 -0.000 0.000 0.216 227 D C -2.145 174.345 176.300 0.317 0.000 1.323 227 D CA -1.495 52.619 54.000 0.190 0.000 0.917 227 D CB 2.070 42.975 40.800 0.175 0.000 1.582 227 D HN -0.044 nan 8.370 nan 0.000 0.576 228 P HA -0.041 nan 4.420 nan 0.000 0.218 228 P C 1.671 179.000 177.300 0.048 0.000 1.149 228 P CA 0.474 63.642 63.100 0.113 0.000 0.817 228 P CB 0.327 32.028 31.700 0.002 0.000 0.785 229 I N -1.189 119.424 120.570 0.073 0.000 2.361 229 I HA -0.178 3.992 4.170 -0.000 0.000 0.251 229 I C 2.166 178.379 176.117 0.161 0.000 1.133 229 I CA 1.103 62.424 61.300 0.035 0.000 1.413 229 I CB -1.644 36.399 38.000 0.072 0.000 1.073 229 I HN 0.013 nan 8.210 nan 0.000 0.424 230 L N 1.174 122.600 121.223 0.339 0.000 1.971 230 L HA -0.296 4.044 4.340 -0.000 0.000 0.215 230 L C 2.681 179.782 176.870 0.386 0.000 1.072 230 L CA 2.034 57.152 54.840 0.462 0.000 0.758 230 L CB -1.475 40.929 42.059 0.575 0.000 0.889 230 L HN 0.272 nan 8.230 nan 0.000 0.433 231 Y N 0.459 120.794 120.300 0.059 0.000 2.139 231 Y HA -0.359 4.191 4.550 -0.000 0.000 0.282 231 Y C 2.559 178.349 175.900 -0.183 0.000 1.179 231 Y CA 2.478 60.305 58.100 -0.455 0.000 1.161 231 Y CB -0.465 37.225 38.460 -1.283 0.000 0.970 231 Y HN 0.483 nan 8.280 nan 0.000 0.511 232 Q N -1.279 118.536 119.800 0.024 0.000 2.124 232 Q HA -0.239 4.101 4.340 -0.000 0.000 0.202 232 Q C 2.063 178.166 176.000 0.171 0.000 0.977 232 Q CA 1.513 57.308 55.803 -0.012 0.000 0.850 232 Q CB -0.389 28.228 28.738 -0.203 0.000 0.901 232 Q HN 0.650 nan 8.270 nan 0.000 0.429 233 H N 0.664 119.901 119.070 0.279 0.000 2.326 233 H HA -0.052 4.504 4.556 -0.000 0.000 0.301 233 H C 2.282 177.695 175.328 0.142 0.000 1.081 233 H CA 1.096 57.391 56.048 0.413 0.000 1.334 233 H CB -0.188 29.805 29.762 0.384 0.000 1.385 233 H HN 0.206 nan 8.280 nan 0.000 0.504 234 L N -0.429 120.879 121.223 0.141 0.000 2.012 234 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 234 L C 2.589 179.416 176.870 -0.072 0.000 1.073 234 L CA 1.494 56.318 54.840 -0.027 0.000 0.748 234 L CB -0.708 41.294 42.059 -0.095 0.000 0.891 234 L HN 0.140 nan 8.230 nan 0.000 0.431 235 F N -0.213 119.493 119.950 -0.406 0.000 2.075 235 F HA -0.242 4.285 4.527 -0.000 0.000 0.297 235 F C 2.144 177.768 175.800 -0.294 0.000 1.113 235 F CA 1.559 59.270 58.000 -0.482 0.000 1.218 235 F CB -0.402 38.105 39.000 -0.821 0.000 0.984 235 F HN -0.047 nan 8.300 nan 0.000 0.472 236 W N -0.740 120.774 121.300 0.357 0.000 2.525 236 W HA -0.130 4.530 4.660 -0.000 0.000 0.259 236 W C 2.230 178.763 176.519 0.022 0.000 1.253 236 W CA 0.570 58.045 57.345 0.218 0.000 1.262 236 W CB -0.592 29.108 29.460 0.400 0.000 1.122 236 W HN 0.131 nan 8.180 nan 0.000 0.607 237 F N -0.052 119.828 119.950 -0.117 0.000 2.171 237 F HA -0.255 4.272 4.527 -0.000 0.000 0.300 237 F C 2.219 177.909 175.800 -0.183 0.000 1.090 237 F CA 1.776 59.521 58.000 -0.426 0.000 1.293 237 F CB -0.415 38.266 39.000 -0.531 0.000 1.013 237 F HN -0.026 nan 8.300 nan 0.000 0.486 238 F N 0.369 120.124 119.950 -0.325 0.000 2.262 238 F HA 0.220 4.747 4.527 -0.000 0.000 0.292 238 F C 2.224 177.775 175.800 -0.414 0.000 1.081 238 F CA 1.281 59.035 58.000 -0.409 0.000 1.355 238 F CB -1.206 37.559 39.000 -0.390 0.000 1.069 238 F HN -0.107 nan 8.300 nan 0.000 0.506 239 G N -0.411 107.861 108.800 -0.879 0.000 2.469 239 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.219 239 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.219 239 G C 1.478 176.160 174.900 -0.363 0.000 1.150 239 G CA 1.455 46.109 45.100 -0.743 0.000 0.763 239 G HN 0.560 nan 8.290 nan 0.000 0.561 240 H N 1.702 120.731 119.070 -0.068 0.000 2.326 240 H HA 0.022 4.578 4.556 -0.000 0.000 0.301 240 H C 0.265 175.563 175.328 -0.050 0.000 1.081 240 H CA 1.450 57.533 56.048 0.059 0.000 1.334 240 H CB -0.702 29.171 29.762 0.185 0.000 1.385 240 H HN 0.267 nan 8.280 nan 0.000 0.504 241 P HA -0.184 nan 4.420 nan 0.000 0.215 241 P C 1.320 178.360 177.300 -0.434 0.000 1.157 241 P CA 2.171 64.958 63.100 -0.523 0.000 0.874 241 P CB -0.026 31.125 31.700 -0.915 0.000 0.790 242 E N 0.069 119.875 120.200 -0.657 0.000 2.130 242 E HA -0.194 4.156 4.350 -0.000 0.000 0.196 242 E C 1.697 178.024 176.600 -0.456 0.000 0.998 242 E CA 1.770 57.813 56.400 -0.594 0.000 0.806 242 E CB -1.249 27.892 29.700 -0.931 0.000 0.738 242 E HN 0.143 nan 8.360 nan 0.000 0.459 243 V N -1.243 118.359 119.914 -0.520 0.000 2.427 243 V HA -0.200 3.920 4.120 -0.000 0.000 0.248 243 V C 1.937 177.697 176.094 -0.557 0.000 1.051 243 V CA 1.780 63.756 62.300 -0.540 0.000 1.048 243 V CB -1.124 30.351 31.823 -0.580 0.000 0.666 243 V HN 0.261 nan 8.190 nan 0.000 0.456 244 Y N 0.327 120.463 120.300 -0.273 0.000 2.314 244 Y HA 0.169 4.719 4.550 -0.000 0.000 0.293 244 Y C 2.403 178.183 175.900 -0.199 0.000 1.129 244 Y CA 1.500 59.500 58.100 -0.167 0.000 1.201 244 Y CB -0.421 37.994 38.460 -0.076 0.000 0.999 244 Y HN 0.180 nan 8.280 nan 0.000 0.541 245 I N -0.460 120.043 120.570 -0.111 0.000 2.493 245 I HA -0.266 3.904 4.170 -0.000 0.000 0.254 245 I C 1.563 177.574 176.117 -0.177 0.000 1.160 245 I CA 1.249 62.472 61.300 -0.129 0.000 1.445 245 I CB -0.174 37.738 38.000 -0.148 0.000 1.086 245 I HN 0.239 nan 8.210 nan 0.000 0.433 246 L N -0.587 120.494 121.223 -0.237 0.000 2.509 246 L HA -0.026 4.314 4.340 -0.000 0.000 0.222 246 L C 1.993 178.726 176.870 -0.229 0.000 1.123 246 L CA 0.309 55.007 54.840 -0.236 0.000 0.856 246 L CB 0.192 42.074 42.059 -0.294 0.000 0.985 246 L HN 0.212 nan 8.230 nan 0.000 0.456 247 I N -1.189 119.203 120.570 -0.297 0.000 3.790 247 I HA -0.008 4.162 4.170 -0.000 0.000 0.305 247 I C 1.913 177.636 176.117 -0.656 0.000 1.253 247 I CA 0.804 61.831 61.300 -0.455 0.000 1.355 247 I CB 0.230 37.892 38.000 -0.563 0.000 1.137 247 I HN 0.004 nan 8.210 nan 0.000 0.435 248 L N 1.389 122.362 121.223 -0.416 0.000 1.971 248 L HA -0.178 4.162 4.340 -0.000 0.000 0.215 248 L C -0.345 176.491 176.870 -0.057 0.000 1.072 248 L CA 1.928 56.654 54.840 -0.190 0.000 0.758 248 L CB -2.081 39.962 42.059 -0.026 0.000 0.889 248 L HN 0.162 nan 8.230 nan 0.000 0.433 249 P HA -0.150 nan 4.420 nan 0.000 0.218 249 P C 1.501 178.875 177.300 0.123 0.000 1.148 249 P CA 1.759 64.851 63.100 -0.014 0.000 0.822 249 P CB -0.186 31.513 31.700 -0.002 0.000 0.784 250 G N -1.553 107.251 108.800 0.007 0.000 2.418 250 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.217 250 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.217 250 G C 1.447 176.365 174.900 0.029 0.000 1.158 250 G CA 0.227 45.313 45.100 -0.023 0.000 0.771 250 G HN 0.241 nan 8.290 nan 0.000 0.545 251 F N 1.312 121.287 119.950 0.041 0.000 2.126 251 F HA -0.077 4.450 4.527 -0.000 0.000 0.299 251 F C 2.977 178.914 175.800 0.228 0.000 1.096 251 F CA 0.273 58.382 58.000 0.182 0.000 1.255 251 F CB -0.089 39.053 39.000 0.238 0.000 0.997 251 F HN 0.273 nan 8.300 nan 0.000 0.479 252 G N 0.539 109.578 108.800 0.400 0.000 2.480 252 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.216 252 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.216 252 G C 1.566 176.665 174.900 0.333 0.000 1.200 252 G CA 0.864 46.202 45.100 0.397 0.000 0.782 252 G HN 0.178 nan 8.290 nan 0.000 0.554 253 M N 0.167 119.923 119.600 0.261 0.000 2.149 253 M HA -0.038 4.442 4.480 -0.000 0.000 0.261 253 M C 2.526 178.808 176.300 -0.029 0.000 1.064 253 M CA 1.035 56.369 55.300 0.057 0.000 1.102 253 M CB -0.499 32.062 32.600 -0.065 0.000 1.369 253 M HN 0.122 nan 8.290 nan 0.000 0.408 254 I N 0.111 120.578 120.570 -0.172 0.000 2.226 254 I HA -0.209 3.961 4.170 -0.000 0.000 0.245 254 I C 2.468 178.464 176.117 -0.201 0.000 1.100 254 I CA 1.449 62.485 61.300 -0.441 0.000 1.374 254 I CB -1.283 36.070 38.000 -1.078 0.000 1.057 254 I HN 0.251 nan 8.210 nan 0.000 0.413 255 S N -0.581 115.251 115.700 0.220 0.000 2.382 255 S HA -0.182 4.288 4.470 -0.000 0.000 0.228 255 S C 1.864 176.725 174.600 0.436 0.000 1.027 255 S CA 1.017 59.538 58.200 0.534 0.000 0.991 255 S CB -0.435 63.176 63.200 0.686 0.000 0.823 255 S HN 0.530 nan 8.310 nan 0.000 0.469 256 H N 0.697 119.899 119.070 0.221 0.000 2.276 256 H HA 0.038 4.594 4.556 -0.000 0.000 0.301 256 H C 2.209 177.558 175.328 0.035 0.000 1.073 256 H CA 1.444 57.608 56.048 0.195 0.000 1.311 256 H CB -0.197 29.740 29.762 0.292 0.000 1.379 256 H HN 0.302 nan 8.280 nan 0.000 0.494 257 I N 0.627 121.196 120.570 -0.001 0.000 2.151 257 I HA -0.276 3.894 4.170 -0.000 0.000 0.243 257 I C 2.504 178.689 176.117 0.113 0.000 1.080 257 I CA 1.049 62.287 61.300 -0.103 0.000 1.339 257 I CB -0.391 37.464 38.000 -0.241 0.000 1.039 257 I HN 0.070 nan 8.210 nan 0.000 0.409 258 V N 0.576 120.511 119.914 0.036 0.000 2.343 258 V HA -0.255 3.865 4.120 -0.000 0.000 0.247 258 V C 2.518 178.691 176.094 0.133 0.000 1.051 258 V CA 2.422 64.759 62.300 0.061 0.000 1.036 258 V CB -0.873 30.958 31.823 0.014 0.000 0.654 258 V HN 0.481 nan 8.190 nan 0.000 0.451 259 T N -1.105 113.549 114.554 0.166 0.000 2.674 259 T HA -0.230 4.120 4.350 -0.000 0.000 0.265 259 T C 1.700 176.444 174.700 0.073 0.000 1.039 259 T CA 2.092 64.278 62.100 0.142 0.000 1.150 259 T CB -0.393 68.570 68.868 0.159 0.000 0.864 259 T HN 0.537 nan 8.240 nan 0.000 0.427 260 Y N 0.853 121.113 120.300 -0.067 0.000 2.030 260 Y HA -0.286 4.264 4.550 -0.000 0.000 0.274 260 Y C 1.977 177.686 175.900 -0.318 0.000 1.153 260 Y CA 1.613 59.571 58.100 -0.236 0.000 1.115 260 Y CB -0.453 37.772 38.460 -0.390 0.000 0.969 260 Y HN 0.274 nan 8.280 nan 0.000 0.488 261 Y N -0.985 119.429 120.300 0.191 0.000 2.632 261 Y HA -0.055 4.495 4.550 -0.000 0.000 0.301 261 Y C 2.361 178.209 175.900 -0.087 0.000 1.172 261 Y CA 0.872 59.001 58.100 0.049 0.000 1.328 261 Y CB -0.232 38.229 38.460 0.002 0.000 1.016 261 Y HN 0.050 nan 8.280 nan 0.000 0.529 262 S N -1.029 114.684 115.700 0.022 0.000 2.501 262 S HA 0.143 4.613 4.470 -0.000 0.000 0.220 262 S C 1.808 176.372 174.600 -0.060 0.000 0.997 262 S CA 0.746 58.933 58.200 -0.022 0.000 0.919 262 S CB -0.223 62.992 63.200 0.025 0.000 0.778 262 S HN 0.676 nan 8.310 nan 0.000 0.523 263 G N 1.431 110.160 108.800 -0.117 0.000 2.160 263 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.244 263 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.244 263 G C -0.140 174.684 174.900 -0.127 0.000 1.022 263 G CA 0.022 45.021 45.100 -0.169 0.000 0.741 263 G HN 0.333 nan 8.290 nan 0.000 0.508 264 K N 0.038 120.385 120.400 -0.089 0.000 2.118 264 K HA 0.573 4.893 4.320 -0.000 0.000 0.267 264 K C 1.532 178.100 176.600 -0.052 0.000 0.991 264 K CA -0.290 55.977 56.287 -0.034 0.000 0.916 264 K CB 0.901 33.424 32.500 0.038 0.000 1.041 264 K HN 0.320 nan 8.250 nan 0.000 0.455 265 K N 0.840 121.223 120.400 -0.027 0.000 2.365 265 K HA 0.019 4.339 4.320 -0.000 0.000 0.197 265 K C -0.192 176.415 176.600 0.010 0.000 1.042 265 K CA 0.602 56.873 56.287 -0.027 0.000 0.987 265 K CB 0.170 32.656 32.500 -0.024 0.000 0.779 265 K HN 0.637 nan 8.250 nan 0.000 0.484 266 E N 0.704 120.929 120.200 0.042 0.000 2.412 266 E HA 0.346 4.696 4.350 -0.000 0.000 0.279 266 E C -3.045 173.640 176.600 0.142 0.000 0.984 266 E CA -2.474 53.976 56.400 0.082 0.000 0.788 266 E CB 1.816 31.549 29.700 0.055 0.000 1.277 266 E HN -0.185 nan 8.360 nan 0.000 0.455 267 P HA 0.122 nan 4.420 nan 0.000 0.278 267 P C -0.713 176.750 177.300 0.272 0.000 1.238 267 P CA -0.387 62.879 63.100 0.276 0.000 0.794 267 P CB 0.503 32.400 31.700 0.327 0.000 0.955 268 F N 2.026 122.071 119.950 0.158 0.000 2.529 268 F HA 0.332 4.859 4.527 -0.000 0.000 0.365 268 F C 1.473 177.336 175.800 0.105 0.000 1.102 268 F CA 1.382 59.456 58.000 0.124 0.000 1.271 268 F CB -0.027 39.045 39.000 0.120 0.000 1.120 268 F HN 0.714 nan 8.300 nan 0.000 0.579 269 G N 5.574 114.090 108.800 -0.473 0.000 2.323 269 G HA2 -0.418 3.542 3.960 -0.000 0.000 0.292 269 G HA3 -0.418 3.542 3.960 -0.000 0.000 0.292 269 G C 0.601 175.514 174.900 0.023 0.000 1.040 269 G CA 0.684 45.643 45.100 -0.234 0.000 0.942 269 G HN 1.052 nan 8.290 nan 0.000 0.506 270 Y N -0.070 120.208 120.300 -0.037 0.000 2.003 270 Y HA -0.404 4.146 4.550 -0.000 0.000 0.261 270 Y C 2.738 178.654 175.900 0.026 0.000 1.211 270 Y CA 3.079 61.205 58.100 0.042 0.000 1.098 270 Y CB -0.204 38.303 38.460 0.079 0.000 0.925 270 Y HN 0.382 nan 8.280 nan 0.000 0.498 271 M N 0.162 119.867 119.600 0.175 0.000 2.106 271 M HA -0.179 4.301 4.480 -0.000 0.000 0.259 271 M C 2.504 178.770 176.300 -0.057 0.000 1.068 271 M CA 1.663 56.973 55.300 0.017 0.000 1.100 271 M CB -2.205 30.403 32.600 0.013 0.000 1.351 271 M HN 0.534 nan 8.290 nan 0.000 0.404 272 G N 0.142 108.925 108.800 -0.028 0.000 2.446 272 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.217 272 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.217 272 G C 1.479 176.428 174.900 0.081 0.000 1.168 272 G CA 0.913 46.031 45.100 0.029 0.000 0.771 272 G HN 0.353 nan 8.290 nan 0.000 0.551 273 M N 0.421 119.989 119.600 -0.053 0.000 2.279 273 M HA 0.008 4.488 4.480 -0.000 0.000 0.264 273 M C 2.633 178.795 176.300 -0.231 0.000 1.062 273 M CA 0.684 55.901 55.300 -0.139 0.000 1.099 273 M CB -0.879 31.633 32.600 -0.146 0.000 1.394 273 M HN 0.136 nan 8.290 nan 0.000 0.426 274 V N -1.184 118.515 119.914 -0.358 0.000 2.488 274 V HA -0.212 3.908 4.120 -0.000 0.000 0.246 274 V C 2.059 177.945 176.094 -0.347 0.000 1.046 274 V CA 1.397 63.338 62.300 -0.599 0.000 1.053 274 V CB -0.744 30.534 31.823 -0.908 0.000 0.679 274 V HN 0.609 nan 8.190 nan 0.000 0.458 275 W N 1.548 122.654 121.300 -0.323 0.000 2.354 275 W HA -0.215 4.445 4.660 -0.000 0.000 0.315 275 W C 2.469 178.894 176.519 -0.157 0.000 1.206 275 W CA 2.331 59.551 57.345 -0.209 0.000 1.290 275 W CB -0.588 28.780 29.460 -0.152 0.000 1.152 275 W HN 0.172 nan 8.180 nan 0.000 0.489 276 A N 0.830 123.537 122.820 -0.189 0.000 1.884 276 A HA -0.303 4.017 4.320 -0.000 0.000 0.219 276 A C 2.099 179.459 177.584 -0.374 0.000 1.197 276 A CA 2.693 54.454 52.037 -0.459 0.000 0.637 276 A CB -1.094 17.811 19.000 -0.159 0.000 0.827 276 A HN 0.475 nan 8.150 nan 0.000 0.450 277 M N -1.429 118.031 119.600 -0.233 0.000 2.213 277 M HA -0.109 4.371 4.480 -0.000 0.000 0.263 277 M C 2.330 178.555 176.300 -0.125 0.000 1.062 277 M CA 1.396 56.632 55.300 -0.106 0.000 1.105 277 M CB -0.412 32.158 32.600 -0.051 0.000 1.385 277 M HN 0.450 nan 8.290 nan 0.000 0.417 278 M N -0.988 118.477 119.600 -0.225 0.000 2.288 278 M HA -0.100 4.380 4.480 -0.000 0.000 0.266 278 M C 2.218 178.432 176.300 -0.144 0.000 1.072 278 M CA 1.142 56.349 55.300 -0.156 0.000 1.132 278 M CB -0.320 32.173 32.600 -0.179 0.000 1.386 278 M HN 0.189 nan 8.290 nan 0.000 0.432 279 S N 1.266 116.759 115.700 -0.346 0.000 2.348 279 S HA -0.094 4.376 4.470 -0.000 0.000 0.221 279 S C 1.847 176.373 174.600 -0.124 0.000 1.033 279 S CA 1.183 59.200 58.200 -0.305 0.000 1.010 279 S CB -0.374 62.391 63.200 -0.725 0.000 0.891 279 S HN 0.353 nan 8.310 nan 0.000 0.442 280 I N 1.553 122.013 120.570 -0.183 0.000 2.118 280 I HA -0.242 3.928 4.170 -0.000 0.000 0.241 280 I C 2.747 178.780 176.117 -0.140 0.000 1.070 280 I CA 1.441 62.651 61.300 -0.149 0.000 1.327 280 I CB -1.043 36.941 38.000 -0.026 0.000 1.034 280 I HN 0.412 nan 8.210 nan 0.000 0.405 281 G N 0.268 109.060 108.800 -0.014 0.000 2.469 281 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.220 281 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.220 281 G C 1.544 176.569 174.900 0.208 0.000 1.136 281 G CA 0.780 45.929 45.100 0.082 0.000 0.759 281 G HN 0.333 nan 8.290 nan 0.000 0.562 282 F N 1.144 121.112 119.950 0.031 0.000 2.074 282 F HA 0.153 4.680 4.527 -0.000 0.000 0.293 282 F C 2.501 178.359 175.800 0.098 0.000 1.116 282 F CA 0.892 58.945 58.000 0.088 0.000 1.212 282 F CB -0.518 38.487 39.000 0.007 0.000 0.998 282 F HN 0.026 nan 8.300 nan 0.000 0.471 283 L N 0.208 121.318 121.223 -0.188 0.000 2.127 283 L HA -0.178 4.162 4.340 -0.000 0.000 0.211 283 L C 2.491 179.206 176.870 -0.258 0.000 1.089 283 L CA 1.265 55.932 54.840 -0.287 0.000 0.757 283 L CB -1.562 40.390 42.059 -0.178 0.000 0.899 283 L HN 0.390 nan 8.230 nan 0.000 0.434 284 G N -1.484 107.146 108.800 -0.284 0.000 2.708 284 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.210 284 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.210 284 G C 1.073 175.882 174.900 -0.152 0.000 1.141 284 G CA 0.043 44.996 45.100 -0.245 0.000 0.788 284 G HN 0.267 nan 8.290 nan 0.000 0.531 285 F N -0.095 119.774 119.950 -0.134 0.000 2.720 285 F HA 0.324 4.851 4.527 -0.000 0.000 0.301 285 F C 1.554 177.385 175.800 0.052 0.000 1.103 285 F CA -0.366 57.550 58.000 -0.140 0.000 1.291 285 F CB 0.594 39.506 39.000 -0.146 0.000 1.086 285 F HN 0.187 nan 8.300 nan 0.000 0.592 286 I N -1.520 119.168 120.570 0.197 0.000 3.283 286 I HA 0.317 4.487 4.170 -0.000 0.000 0.342 286 I C 0.015 176.293 176.117 0.269 0.000 1.510 286 I CA -0.130 61.377 61.300 0.346 0.000 1.006 286 I CB 0.330 38.397 38.000 0.112 0.000 1.596 286 I HN -0.115 nan 8.210 nan 0.000 0.509 287 V N -3.275 116.839 119.914 0.334 0.000 3.544 287 V HA 0.184 4.304 4.120 -0.000 0.000 0.298 287 V C 1.420 177.439 176.094 -0.125 0.000 1.580 287 V CA -0.191 62.180 62.300 0.118 0.000 1.122 287 V CB -1.103 30.625 31.823 -0.158 0.000 0.951 287 V HN 0.740 nan 8.190 nan 0.000 0.448 288 W N 2.280 123.581 121.300 0.002 0.000 2.325 288 W HA -0.007 4.653 4.660 -0.000 0.000 0.299 288 W C 1.841 178.198 176.519 -0.269 0.000 1.215 288 W CA 1.980 59.292 57.345 -0.056 0.000 1.244 288 W CB -0.752 28.857 29.460 0.248 0.000 1.140 288 W HN 0.246 nan 8.180 nan 0.000 0.523 289 A N 1.908 123.875 122.820 -1.421 0.000 2.259 289 A HA -0.197 4.123 4.320 -0.000 0.000 0.212 289 A C 1.767 178.626 177.584 -1.207 0.000 1.178 289 A CA 1.269 52.413 52.037 -1.489 0.000 0.734 289 A CB -1.863 15.743 19.000 -2.322 0.000 0.774 289 A HN 0.817 nan 8.150 nan 0.000 0.481 290 H N -3.223 115.266 119.070 -0.968 0.000 2.559 290 H HA 0.009 4.565 4.556 -0.000 0.000 0.273 290 H C 0.928 175.456 175.328 -1.333 0.000 1.000 290 H CA 0.889 56.085 56.048 -1.421 0.000 1.195 290 H CB -0.311 28.973 29.762 -0.797 0.000 1.368 290 H HN 0.681 nan 8.280 nan 0.000 0.592 291 H N 0.430 119.110 119.070 -0.651 0.000 2.539 291 H HA 0.197 4.753 4.556 -0.000 0.000 0.269 291 H C 0.599 175.646 175.328 -0.468 0.000 0.980 291 H CA 0.312 55.955 56.048 -0.674 0.000 1.152 291 H CB 0.537 29.341 29.762 -1.595 0.000 1.407 291 H HN 0.466 nan 8.280 nan 0.000 0.564 292 M N -0.335 118.995 119.600 -0.450 0.000 2.705 292 M HA 0.114 4.594 4.480 -0.000 0.000 0.387 292 M C 0.318 176.512 176.300 -0.177 0.000 1.204 292 M CA -0.257 54.878 55.300 -0.276 0.000 0.905 292 M CB 0.512 32.961 32.600 -0.253 0.000 1.394 292 M HN -0.089 nan 8.290 nan 0.000 0.515 293 F N 1.112 120.918 119.950 -0.240 0.000 2.250 293 F HA -0.138 4.389 4.527 -0.000 0.000 0.301 293 F C 2.732 178.421 175.800 -0.185 0.000 1.077 293 F CA 1.818 59.704 58.000 -0.190 0.000 1.348 293 F CB -1.016 37.898 39.000 -0.144 0.000 1.040 293 F HN 0.302 nan 8.300 nan 0.000 0.509 294 T N -2.961 111.534 114.554 -0.098 0.000 3.086 294 T HA 0.089 4.439 4.350 -0.000 0.000 0.250 294 T C 1.550 176.199 174.700 -0.086 0.000 1.074 294 T CA 0.731 62.760 62.100 -0.117 0.000 0.988 294 T CB -0.810 67.944 68.868 -0.189 0.000 0.988 294 T HN 0.101 nan 8.240 nan 0.000 0.530 295 V N -1.252 118.613 119.914 -0.082 0.000 3.510 295 V HA 0.471 4.591 4.120 -0.000 0.000 0.270 295 V C 1.312 177.399 176.094 -0.010 0.000 1.201 295 V CA -0.186 62.087 62.300 -0.046 0.000 1.166 295 V CB -1.860 29.928 31.823 -0.058 0.000 0.825 295 V HN 0.766 nan 8.190 nan 0.000 0.484 296 G N 0.589 109.388 108.800 -0.003 0.000 2.540 296 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.260 296 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.260 296 G C -0.570 174.350 174.900 0.032 0.000 0.993 296 G CA 0.456 45.564 45.100 0.013 0.000 1.327 296 G HN 0.509 nan 8.290 nan 0.000 0.485 297 M N 0.624 120.251 119.600 0.045 0.000 2.762 297 M HA 0.390 4.870 4.480 -0.000 0.000 0.306 297 M C 0.229 176.566 176.300 0.062 0.000 1.223 297 M CA -1.019 54.322 55.300 0.068 0.000 0.896 297 M CB 0.867 33.521 32.600 0.090 0.000 1.684 297 M HN 0.322 nan 8.290 nan 0.000 0.491 298 D N 0.793 121.236 120.400 0.071 0.000 2.515 298 D HA -0.062 4.578 4.640 -0.000 0.000 0.232 298 D C 0.729 177.063 176.300 0.058 0.000 1.157 298 D CA 0.152 54.187 54.000 0.059 0.000 0.871 298 D CB 0.697 41.537 40.800 0.066 0.000 1.200 298 D HN 0.279 nan 8.370 nan 0.000 0.466 299 V N 1.534 121.469 119.914 0.035 0.000 2.667 299 V HA -0.185 3.935 4.120 -0.000 0.000 0.252 299 V C 1.204 177.322 176.094 0.040 0.000 1.065 299 V CA 1.656 63.967 62.300 0.020 0.000 1.083 299 V CB -0.078 31.746 31.823 0.001 0.000 0.692 299 V HN 0.414 nan 8.190 nan 0.000 0.468 300 D N -0.508 119.925 120.400 0.055 0.000 2.103 300 D HA -0.106 4.534 4.640 -0.000 0.000 0.199 300 D C 2.272 178.648 176.300 0.125 0.000 0.978 300 D CA 1.801 55.842 54.000 0.068 0.000 0.829 300 D CB -0.342 40.487 40.800 0.048 0.000 0.981 300 D HN 0.397 nan 8.370 nan 0.000 0.464 301 T N 0.566 115.212 114.554 0.153 0.000 2.622 301 T HA -0.133 4.217 4.350 -0.000 0.000 0.266 301 T C 1.898 176.841 174.700 0.405 0.000 1.047 301 T CA 1.084 63.350 62.100 0.277 0.000 1.159 301 T CB -0.159 68.859 68.868 0.250 0.000 0.863 301 T HN 0.125 nan 8.240 nan 0.000 0.422 302 R N 0.875 121.534 120.500 0.265 0.000 2.241 302 R HA 0.060 4.400 4.340 -0.000 0.000 0.224 302 R C 2.568 178.936 176.300 0.114 0.000 1.101 302 R CA 0.892 57.127 56.100 0.226 0.000 0.995 302 R CB -0.305 29.993 30.300 -0.005 0.000 0.870 302 R HN 0.359 nan 8.270 nan 0.000 0.463 303 A N 0.371 123.255 122.820 0.106 0.000 1.898 303 A HA -0.171 4.149 4.320 -0.000 0.000 0.214 303 A C 1.877 179.511 177.584 0.082 0.000 1.183 303 A CA 0.765 52.832 52.037 0.050 0.000 0.622 303 A CB -0.542 18.486 19.000 0.047 0.000 0.824 303 A HN 0.408 nan 8.150 nan 0.000 0.444 304 Y N -0.097 120.217 120.300 0.023 0.000 2.070 304 Y HA -0.238 4.312 4.550 -0.000 0.000 0.279 304 Y C 1.921 177.764 175.900 -0.096 0.000 1.134 304 Y CA 1.974 60.025 58.100 -0.082 0.000 1.113 304 Y CB -0.879 37.464 38.460 -0.195 0.000 0.981 304 Y HN 0.241 nan 8.280 nan 0.000 0.487 305 F N 0.300 120.088 119.950 -0.271 0.000 2.192 305 F HA -0.250 4.277 4.527 -0.000 0.000 0.301 305 F C 2.537 178.289 175.800 -0.080 0.000 1.079 305 F CA 2.001 59.819 58.000 -0.302 0.000 1.303 305 F CB -1.087 37.891 39.000 -0.037 0.000 1.024 305 F HN 0.071 nan 8.300 nan 0.000 0.494 306 T N -1.020 113.659 114.554 0.207 0.000 2.708 306 T HA -0.169 4.181 4.350 -0.000 0.000 0.266 306 T C 2.280 176.973 174.700 -0.013 0.000 1.037 306 T CA 1.745 63.924 62.100 0.131 0.000 1.146 306 T CB -0.357 68.496 68.868 -0.025 0.000 0.865 306 T HN 0.194 nan 8.240 nan 0.000 0.435 307 S N 1.334 116.976 115.700 -0.096 0.000 2.348 307 S HA -0.055 4.415 4.470 -0.000 0.000 0.221 307 S C 2.566 177.069 174.600 -0.163 0.000 1.033 307 S CA 1.081 59.215 58.200 -0.110 0.000 1.010 307 S CB -0.700 62.446 63.200 -0.090 0.000 0.891 307 S HN 0.580 nan 8.310 nan 0.000 0.442 308 A N 1.346 123.950 122.820 -0.360 0.000 1.892 308 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 308 A C 2.336 179.814 177.584 -0.176 0.000 1.188 308 A CA 2.272 54.103 52.037 -0.343 0.000 0.631 308 A CB -1.542 17.048 19.000 -0.683 0.000 0.822 308 A HN 0.483 nan 8.150 nan 0.000 0.447 309 T N 0.242 114.726 114.554 -0.116 0.000 2.803 309 T HA -0.148 4.202 4.350 -0.000 0.000 0.269 309 T C 1.824 176.515 174.700 -0.015 0.000 1.052 309 T CA 1.699 63.793 62.100 -0.009 0.000 1.136 309 T CB -0.331 68.606 68.868 0.116 0.000 0.864 309 T HN 0.450 nan 8.240 nan 0.000 0.467 310 M N 0.047 119.634 119.600 -0.022 0.000 2.394 310 M HA 0.081 4.561 4.480 -0.000 0.000 0.264 310 M C 2.129 178.434 176.300 0.007 0.000 1.073 310 M CA 1.082 56.380 55.300 -0.004 0.000 1.111 310 M CB -0.536 32.061 32.600 -0.005 0.000 1.401 310 M HN 0.253 nan 8.290 nan 0.000 0.448 311 I N 0.819 121.384 120.570 -0.007 0.000 2.226 311 I HA -0.305 3.865 4.170 -0.000 0.000 0.245 311 I C 2.206 178.333 176.117 0.017 0.000 1.100 311 I CA 1.344 62.650 61.300 0.011 0.000 1.374 311 I CB -0.310 37.689 38.000 -0.001 0.000 1.057 311 I HN 0.249 nan 8.210 nan 0.000 0.413 312 I N 0.961 121.530 120.570 -0.001 0.000 2.479 312 I HA -0.344 3.826 4.170 -0.000 0.000 0.258 312 I C 2.688 178.838 176.117 0.055 0.000 1.165 312 I CA 1.179 62.483 61.300 0.007 0.000 1.422 312 I CB -0.524 37.486 38.000 0.018 0.000 1.087 312 I HN 0.235 nan 8.210 nan 0.000 0.441 313 A N 1.053 123.912 122.820 0.064 0.000 1.933 313 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 313 A C 2.239 179.875 177.584 0.086 0.000 1.175 313 A CA 1.335 53.419 52.037 0.079 0.000 0.628 313 A CB -0.570 18.471 19.000 0.069 0.000 0.814 313 A HN 0.377 nan 8.150 nan 0.000 0.444 314 I N 0.466 121.092 120.570 0.094 0.000 2.090 314 I HA -0.165 4.005 4.170 -0.000 0.000 0.236 314 I C -0.262 175.948 176.117 0.155 0.000 1.064 314 I CA 1.653 63.040 61.300 0.145 0.000 1.324 314 I CB -1.169 36.936 38.000 0.175 0.000 1.044 314 I HN 0.237 nan 8.210 nan 0.000 0.399 315 P HA -0.151 nan 4.420 nan 0.000 0.215 315 P C 1.562 178.830 177.300 -0.052 0.000 1.153 315 P CA 1.828 64.874 63.100 -0.089 0.000 0.853 315 P CB -0.335 31.107 31.700 -0.430 0.000 0.788 316 T N -0.531 114.008 114.554 -0.025 0.000 2.833 316 T HA -0.055 4.295 4.350 -0.000 0.000 0.269 316 T C 2.132 176.777 174.700 -0.091 0.000 1.054 316 T CA 1.642 63.725 62.100 -0.028 0.000 1.135 316 T CB -1.065 67.891 68.868 0.148 0.000 0.869 316 T HN 0.225 nan 8.240 nan 0.000 0.466 317 G N 1.023 109.802 108.800 -0.034 0.000 2.408 317 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.217 317 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.217 317 G C 1.684 176.493 174.900 -0.152 0.000 1.150 317 G CA 0.573 45.599 45.100 -0.124 0.000 0.776 317 G HN 0.406 nan 8.290 nan 0.000 0.542 318 V N 1.007 120.948 119.914 0.045 0.000 2.231 318 V HA -0.257 3.863 4.120 -0.000 0.000 0.248 318 V C 2.871 178.884 176.094 -0.135 0.000 1.054 318 V CA 2.488 64.844 62.300 0.093 0.000 1.015 318 V CB -0.482 31.471 31.823 0.218 0.000 0.638 318 V HN 0.390 nan 8.190 nan 0.000 0.444 319 K N -0.548 119.640 120.400 -0.353 0.000 2.044 319 K HA -0.208 4.112 4.320 -0.000 0.000 0.210 319 K C 2.049 178.058 176.600 -0.986 0.000 1.049 319 K CA 1.788 57.585 56.287 -0.816 0.000 0.927 319 K CB -0.659 31.186 32.500 -1.092 0.000 0.713 319 K HN 0.343 nan 8.250 nan 0.000 0.443 320 V N 1.062 120.617 119.914 -0.598 0.000 2.287 320 V HA -0.247 3.873 4.120 -0.000 0.000 0.248 320 V C 2.055 178.076 176.094 -0.122 0.000 1.053 320 V CA 1.876 64.039 62.300 -0.228 0.000 1.027 320 V CB -0.538 31.087 31.823 -0.329 0.000 0.646 320 V HN 0.236 nan 8.190 nan 0.000 0.447 321 F N -0.157 119.790 119.950 -0.004 0.000 2.234 321 F HA -0.140 4.387 4.527 -0.000 0.000 0.299 321 F C 2.642 178.392 175.800 -0.083 0.000 1.087 321 F CA 1.117 59.107 58.000 -0.017 0.000 1.340 321 F CB -0.423 38.561 39.000 -0.028 0.000 1.031 321 F HN 0.059 nan 8.300 nan 0.000 0.500 322 S N -0.760 114.947 115.700 0.011 0.000 2.383 322 S HA -0.163 4.307 4.470 -0.000 0.000 0.227 322 S C 1.700 176.353 174.600 0.088 0.000 1.026 322 S CA 0.842 59.050 58.200 0.014 0.000 0.981 322 S CB -0.339 62.855 63.200 -0.011 0.000 0.818 322 S HN 0.407 nan 8.310 nan 0.000 0.472 323 W N 1.741 123.103 121.300 0.103 0.000 2.402 323 W HA 0.115 4.775 4.660 -0.000 0.000 0.286 323 W C 1.822 178.395 176.519 0.090 0.000 1.221 323 W CA 0.273 57.680 57.345 0.103 0.000 1.257 323 W CB -1.064 28.453 29.460 0.095 0.000 1.120 323 W HN 0.322 nan 8.180 nan 0.000 0.551 324 L N -0.137 121.276 121.223 0.315 0.000 2.109 324 L HA -0.106 4.234 4.340 -0.000 0.000 0.207 324 L C 2.611 179.540 176.870 0.098 0.000 1.086 324 L CA 1.235 56.200 54.840 0.208 0.000 0.760 324 L CB -1.211 40.980 42.059 0.219 0.000 0.910 324 L HN -0.174 nan 8.230 nan 0.000 0.437 325 A N -0.369 122.432 122.820 -0.032 0.000 1.969 325 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 325 A C 2.351 179.963 177.584 0.047 0.000 1.169 325 A CA 2.065 53.954 52.037 -0.248 0.000 0.635 325 A CB -0.733 17.632 19.000 -1.058 0.000 0.810 325 A HN 0.343 nan 8.150 nan 0.000 0.445 326 T N 0.515 115.179 114.554 0.185 0.000 2.821 326 T HA -0.043 4.307 4.350 -0.000 0.000 0.267 326 T C 1.751 176.561 174.700 0.183 0.000 1.046 326 T CA 1.302 63.557 62.100 0.258 0.000 1.139 326 T CB -0.330 68.725 68.868 0.313 0.000 0.871 326 T HN 0.378 nan 8.240 nan 0.000 0.454 327 L N 0.165 121.486 121.223 0.164 0.000 2.141 327 L HA -0.013 4.327 4.340 -0.000 0.000 0.209 327 L C 1.309 178.252 176.870 0.122 0.000 1.094 327 L CA 0.477 55.381 54.840 0.106 0.000 0.763 327 L CB -0.727 41.386 42.059 0.090 0.000 0.908 327 L HN 0.333 nan 8.230 nan 0.000 0.437 328 H N 0.940 120.029 119.070 0.032 0.000 3.157 328 H HA 0.127 4.683 4.556 -0.000 0.000 0.299 328 H C 1.165 176.514 175.328 0.034 0.000 0.961 328 H CA 0.260 56.320 56.048 0.020 0.000 1.428 328 H CB 0.160 29.914 29.762 -0.013 0.000 1.459 328 H HN 0.310 nan 8.280 nan 0.000 0.566 329 G N 3.211 111.830 108.800 -0.303 0.000 2.168 329 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.257 329 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.257 329 G C 0.697 175.528 174.900 -0.116 0.000 0.997 329 G CA 0.528 45.452 45.100 -0.294 0.000 0.708 329 G HN 1.017 nan 8.290 nan 0.000 0.520 330 G N -0.631 108.135 108.800 -0.056 0.000 2.528 330 G HA2 0.465 4.425 3.960 -0.000 0.000 0.289 330 G HA3 0.465 4.425 3.960 -0.000 0.000 0.289 330 G C -0.017 174.857 174.900 -0.043 0.000 1.192 330 G CA 0.022 45.097 45.100 -0.040 0.000 0.921 330 G HN 0.651 nan 8.290 nan 0.000 0.512 331 N N 0.435 119.107 118.700 -0.048 0.000 2.558 331 N HA 0.115 4.855 4.740 -0.000 0.000 0.233 331 N C 0.102 175.581 175.510 -0.051 0.000 1.038 331 N CA -0.640 52.388 53.050 -0.036 0.000 0.934 331 N CB 0.140 38.603 38.487 -0.040 0.000 1.175 331 N HN 0.137 nan 8.380 nan 0.000 0.512 332 I N 1.819 122.349 120.570 -0.068 0.000 2.587 332 I HA 0.027 4.197 4.170 -0.000 0.000 0.284 332 I C 0.704 176.723 176.117 -0.163 0.000 1.134 332 I CA -0.040 61.144 61.300 -0.194 0.000 1.410 332 I CB -0.077 37.684 38.000 -0.399 0.000 1.392 332 I HN 0.468 nan 8.210 nan 0.000 0.545 333 K N 7.299 127.627 120.400 -0.120 0.000 2.299 333 K HA 0.197 4.517 4.320 -0.000 0.000 0.268 333 K C -0.835 175.739 176.600 -0.044 0.000 1.075 333 K CA -0.341 55.970 56.287 0.040 0.000 0.936 333 K CB 0.069 32.688 32.500 0.198 0.000 1.228 333 K HN 0.340 nan 8.250 nan 0.000 0.454 334 W N 4.472 125.775 121.300 0.005 0.000 1.317 334 W HA 0.052 4.712 4.660 -0.000 0.000 0.492 334 W C 0.516 176.960 176.519 -0.125 0.000 0.581 334 W CA -0.331 56.967 57.345 -0.077 0.000 2.503 334 W CB -0.591 28.823 29.460 -0.077 0.000 1.157 334 W HN 0.526 nan 8.180 nan 0.000 0.299 335 S N -0.315 115.357 115.700 -0.046 0.000 2.686 335 S HA 0.406 4.876 4.470 -0.000 0.000 0.270 335 S C -1.508 172.934 174.600 -0.264 0.000 1.194 335 S CA -1.224 56.897 58.200 -0.131 0.000 0.990 335 S CB 1.634 64.691 63.200 -0.238 0.000 1.029 335 S HN -0.080 nan 8.310 nan 0.000 0.560 336 P HA -0.024 nan 4.420 nan 0.000 0.211 336 P C 1.769 178.925 177.300 -0.240 0.000 1.179 336 P CA 2.177 65.140 63.100 -0.228 0.000 0.910 336 P CB -0.401 31.307 31.700 0.014 0.000 0.785 337 A N -0.940 121.784 122.820 -0.160 0.000 1.958 337 A HA -0.280 4.040 4.320 -0.000 0.000 0.221 337 A C 2.232 179.607 177.584 -0.349 0.000 1.178 337 A CA 2.488 54.438 52.037 -0.145 0.000 0.642 337 A CB -1.554 17.272 19.000 -0.289 0.000 0.816 337 A HN 0.146 nan 8.150 nan 0.000 0.453 338 M N -0.836 118.379 119.600 -0.641 0.000 2.132 338 M HA -0.026 4.454 4.480 -0.000 0.000 0.263 338 M C 2.054 178.145 176.300 -0.348 0.000 1.065 338 M CA 1.790 56.809 55.300 -0.467 0.000 1.122 338 M CB -0.568 31.745 32.600 -0.478 0.000 1.365 338 M HN 0.434 nan 8.290 nan 0.000 0.411 339 M N -1.626 117.686 119.600 -0.480 0.000 2.086 339 M HA -0.227 4.253 4.480 -0.000 0.000 0.261 339 M C 1.952 177.860 176.300 -0.654 0.000 1.067 339 M CA 2.109 56.961 55.300 -0.747 0.000 1.116 339 M CB -0.665 31.128 32.600 -1.345 0.000 1.348 339 M HN 0.392 nan 8.290 nan 0.000 0.407 340 W N 0.019 121.011 121.300 -0.512 0.000 2.342 340 W HA -0.183 4.477 4.660 -0.000 0.000 0.297 340 W C 2.663 179.222 176.519 0.067 0.000 1.213 340 W CA 0.992 58.239 57.345 -0.164 0.000 1.251 340 W CB -0.531 28.853 29.460 -0.127 0.000 1.136 340 W HN 0.252 nan 8.180 nan 0.000 0.526 341 A N 0.102 123.017 122.820 0.157 0.000 1.898 341 A HA -0.137 4.183 4.320 -0.000 0.000 0.216 341 A C 1.925 179.606 177.584 0.160 0.000 1.181 341 A CA 1.329 53.398 52.037 0.053 0.000 0.620 341 A CB -0.996 17.919 19.000 -0.141 0.000 0.819 341 A HN 0.285 nan 8.150 nan 0.000 0.442 342 L N -0.559 120.728 121.223 0.106 0.000 2.083 342 L HA -0.113 4.227 4.340 -0.000 0.000 0.209 342 L C 2.813 179.913 176.870 0.384 0.000 1.083 342 L CA 0.969 55.913 54.840 0.175 0.000 0.752 342 L CB -0.790 41.315 42.059 0.076 0.000 0.899 342 L HN 0.497 nan 8.230 nan 0.000 0.433 343 G N -0.055 109.047 108.800 0.503 0.000 2.480 343 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.216 343 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.216 343 G C 1.442 176.868 174.900 0.878 0.000 1.200 343 G CA 0.870 46.489 45.100 0.865 0.000 0.782 343 G HN 0.286 nan 8.290 nan 0.000 0.554 344 F N 1.744 122.121 119.950 0.712 0.000 2.043 344 F HA -0.204 4.323 4.527 -0.000 0.000 0.297 344 F C 2.597 178.588 175.800 0.318 0.000 1.118 344 F CA 1.812 60.076 58.000 0.440 0.000 1.202 344 F CB -0.444 38.734 39.000 0.298 0.000 0.965 344 F HN 0.135 nan 8.300 nan 0.000 0.482 345 I N -0.690 120.289 120.570 0.681 0.000 2.091 345 I HA -0.393 3.777 4.170 -0.000 0.000 0.240 345 I C 2.418 178.805 176.117 0.450 0.000 1.046 345 I CA 2.119 63.732 61.300 0.522 0.000 1.306 345 I CB -0.889 37.353 38.000 0.404 0.000 1.018 345 I HN 0.276 nan 8.210 nan 0.000 0.404 346 F N 1.732 121.859 119.950 0.294 0.000 2.031 346 F HA -0.213 4.314 4.527 -0.000 0.000 0.295 346 F C 2.364 178.274 175.800 0.182 0.000 1.133 346 F CA 1.691 59.835 58.000 0.239 0.000 1.188 346 F CB -0.646 38.509 39.000 0.259 0.000 0.974 346 F HN -0.129 nan 8.300 nan 0.000 0.473 347 L N -0.780 120.429 121.223 -0.023 0.000 2.013 347 L HA -0.281 4.059 4.340 -0.000 0.000 0.212 347 L C 2.589 179.327 176.870 -0.220 0.000 1.073 347 L CA 2.110 56.803 54.840 -0.245 0.000 0.753 347 L CB -1.254 40.641 42.059 -0.273 0.000 0.890 347 L HN 0.281 nan 8.230 nan 0.000 0.432 348 F N 1.072 120.802 119.950 -0.367 0.000 2.161 348 F HA -0.246 4.281 4.527 -0.000 0.000 0.300 348 F C 2.488 178.168 175.800 -0.200 0.000 1.089 348 F CA 2.058 59.818 58.000 -0.400 0.000 1.282 348 F CB -0.352 38.210 39.000 -0.730 0.000 1.010 348 F HN -0.023 nan 8.300 nan 0.000 0.485 349 T N 0.293 114.816 114.554 -0.052 0.000 2.684 349 T HA -0.210 4.140 4.350 -0.000 0.000 0.267 349 T C 2.134 176.685 174.700 -0.248 0.000 1.036 349 T CA 1.768 63.816 62.100 -0.086 0.000 1.148 349 T CB -0.796 68.088 68.868 0.027 0.000 0.863 349 T HN 0.142 nan 8.240 nan 0.000 0.436 350 V N 1.552 121.277 119.914 -0.315 0.000 2.219 350 V HA -0.184 3.936 4.120 -0.000 0.000 0.248 350 V C 2.925 178.822 176.094 -0.328 0.000 1.053 350 V CA 2.174 64.283 62.300 -0.319 0.000 1.009 350 V CB -1.482 30.140 31.823 -0.336 0.000 0.636 350 V HN 0.624 nan 8.190 nan 0.000 0.445 351 G N -0.580 108.024 108.800 -0.327 0.000 2.499 351 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.221 351 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.221 351 G C 1.444 176.099 174.900 -0.408 0.000 1.109 351 G CA 1.113 45.974 45.100 -0.398 0.000 0.749 351 G HN 0.655 nan 8.290 nan 0.000 0.568 352 G N 0.336 108.838 108.800 -0.498 0.000 2.459 352 G HA2 0.062 4.022 3.960 -0.000 0.000 0.213 352 G HA3 0.062 4.022 3.960 -0.000 0.000 0.213 352 G C 1.729 176.547 174.900 -0.137 0.000 1.155 352 G CA 0.290 45.178 45.100 -0.353 0.000 0.811 352 G HN 0.407 nan 8.290 nan 0.000 0.534 353 L N 1.366 122.503 121.223 -0.143 0.000 2.017 353 L HA -0.084 4.256 4.340 -0.000 0.000 0.208 353 L C 3.360 180.195 176.870 -0.058 0.000 1.073 353 L CA 1.840 56.634 54.840 -0.077 0.000 0.745 353 L CB -0.789 41.222 42.059 -0.080 0.000 0.894 353 L HN 0.402 nan 8.230 nan 0.000 0.432 354 T N -3.181 111.317 114.554 -0.094 0.000 2.881 354 T HA -0.103 4.247 4.350 -0.000 0.000 0.270 354 T C 1.920 176.606 174.700 -0.024 0.000 1.068 354 T CA 0.979 63.042 62.100 -0.062 0.000 1.131 354 T CB -0.825 67.893 68.868 -0.250 0.000 0.871 354 T HN 0.397 nan 8.240 nan 0.000 0.479 355 G N 1.584 110.408 108.800 0.040 0.000 2.422 355 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.218 355 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.218 355 G C 1.454 176.264 174.900 -0.150 0.000 1.146 355 G CA 0.633 45.645 45.100 -0.147 0.000 0.769 355 G HN 0.460 nan 8.290 nan 0.000 0.547 356 I N 0.753 121.289 120.570 -0.057 0.000 2.394 356 I HA -0.051 4.119 4.170 -0.000 0.000 0.251 356 I C 2.899 178.997 176.117 -0.031 0.000 1.136 356 I CA 0.411 61.689 61.300 -0.037 0.000 1.425 356 I CB -0.822 37.173 38.000 -0.008 0.000 1.079 356 I HN 0.024 nan 8.210 nan 0.000 0.425 357 V N 0.937 120.847 119.914 -0.008 0.000 2.295 357 V HA -0.249 3.871 4.120 -0.000 0.000 0.246 357 V C 2.518 178.602 176.094 -0.017 0.000 1.049 357 V CA 1.485 63.792 62.300 0.012 0.000 1.024 357 V CB -0.438 31.448 31.823 0.105 0.000 0.648 357 V HN 0.318 nan 8.190 nan 0.000 0.447 358 L N 0.038 121.241 121.223 -0.033 0.000 2.353 358 L HA -0.132 4.208 4.340 -0.000 0.000 0.220 358 L C 2.516 179.365 176.870 -0.035 0.000 1.133 358 L CA 1.065 55.862 54.840 -0.072 0.000 0.798 358 L CB -0.679 41.255 42.059 -0.208 0.000 0.922 358 L HN 0.375 nan 8.230 nan 0.000 0.445 359 A N -0.440 122.353 122.820 -0.045 0.000 2.067 359 A HA -0.085 4.236 4.320 -0.000 0.000 0.219 359 A C 0.935 178.603 177.584 0.140 0.000 1.158 359 A CA 0.589 52.654 52.037 0.047 0.000 0.661 359 A CB -0.447 18.547 19.000 -0.011 0.000 0.801 359 A HN 0.427 nan 8.150 nan 0.000 0.452 360 N N 1.457 120.166 118.700 0.015 0.000 2.399 360 N HA 0.077 4.817 4.740 -0.000 0.000 0.259 360 N C 1.008 176.390 175.510 -0.212 0.000 1.160 360 N CA 0.686 53.683 53.050 -0.088 0.000 0.946 360 N CB 1.088 39.525 38.487 -0.084 0.000 1.156 360 N HN 0.480 nan 8.380 nan 0.000 0.489 361 S N 1.241 116.581 115.700 -0.601 0.000 2.419 361 S HA -0.160 4.310 4.470 -0.000 0.000 0.235 361 S C 1.847 176.171 174.600 -0.461 0.000 1.019 361 S CA 0.759 58.293 58.200 -1.109 0.000 0.982 361 S CB -0.021 62.123 63.200 -1.760 0.000 0.789 361 S HN 0.423 nan 8.310 nan 0.000 0.490 362 S N 2.215 117.736 115.700 -0.298 0.000 2.380 362 S HA 0.068 4.538 4.470 -0.000 0.000 0.217 362 S C 1.780 176.301 174.600 -0.132 0.000 1.036 362 S CA 1.369 59.464 58.200 -0.176 0.000 1.050 362 S CB -0.735 62.386 63.200 -0.132 0.000 1.016 362 S HN 0.440 nan 8.310 nan 0.000 0.419 363 L N 1.269 122.421 121.223 -0.117 0.000 2.187 363 L HA -0.189 4.151 4.340 -0.000 0.000 0.213 363 L C 2.221 179.042 176.870 -0.082 0.000 1.100 363 L CA 1.348 56.126 54.840 -0.102 0.000 0.765 363 L CB -0.507 41.485 42.059 -0.111 0.000 0.904 363 L HN 0.357 nan 8.230 nan 0.000 0.437 364 D N -0.004 120.367 120.400 -0.048 0.000 2.218 364 D HA -0.201 4.439 4.640 -0.000 0.000 0.204 364 D C 2.120 178.463 176.300 0.071 0.000 0.976 364 D CA 0.828 54.859 54.000 0.053 0.000 0.853 364 D CB 0.178 41.133 40.800 0.258 0.000 0.939 364 D HN 0.101 nan 8.370 nan 0.000 0.481 365 I N 0.347 120.923 120.570 0.009 0.000 2.151 365 I HA -0.240 3.930 4.170 -0.000 0.000 0.243 365 I C 2.390 178.528 176.117 0.035 0.000 1.080 365 I CA 0.858 62.169 61.300 0.018 0.000 1.339 365 I CB -1.193 36.791 38.000 -0.026 0.000 1.039 365 I HN 0.061 nan 8.210 nan 0.000 0.409 366 V N 0.533 120.444 119.914 -0.006 0.000 2.379 366 V HA -0.180 3.940 4.120 -0.000 0.000 0.245 366 V C 2.479 178.559 176.094 -0.023 0.000 1.044 366 V CA 1.223 63.513 62.300 -0.017 0.000 1.036 366 V CB -0.499 31.293 31.823 -0.053 0.000 0.664 366 V HN 0.308 nan 8.190 nan 0.000 0.453 367 L N -1.049 120.144 121.223 -0.050 0.000 2.209 367 L HA 0.071 4.411 4.340 -0.000 0.000 0.207 367 L C 1.492 178.355 176.870 -0.012 0.000 1.094 367 L CA 0.266 55.059 54.840 -0.079 0.000 0.790 367 L CB -0.560 41.395 42.059 -0.173 0.000 0.932 367 L HN 0.408 nan 8.230 nan 0.000 0.447 368 H N 0.807 119.866 119.070 -0.018 0.000 3.058 368 H HA -0.171 4.385 4.556 -0.000 0.000 0.347 368 H C 0.687 176.020 175.328 0.007 0.000 1.087 368 H CA 0.889 56.938 56.048 0.002 0.000 1.375 368 H CB 0.223 29.999 29.762 0.023 0.000 1.312 368 H HN 0.135 nan 8.280 nan 0.000 0.607 369 D N 0.870 120.751 120.400 -0.866 0.000 3.044 369 D HA -0.254 4.386 4.640 -0.000 0.000 0.223 369 D C 0.159 176.356 176.300 -0.173 0.000 1.191 369 D CA 1.504 55.258 54.000 -0.410 0.000 0.881 369 D CB -0.775 39.944 40.800 -0.134 0.000 1.115 369 D HN 0.731 nan 8.370 nan 0.000 0.408 370 T N -3.955 110.523 114.554 -0.126 0.000 2.892 370 T HA 0.373 4.723 4.350 -0.000 0.000 0.280 370 T C 1.122 175.806 174.700 -0.027 0.000 1.004 370 T CA -0.581 61.492 62.100 -0.046 0.000 0.950 370 T CB 0.520 69.379 68.868 -0.015 0.000 1.309 370 T HN 0.001 nan 8.240 nan 0.000 0.592 371 Y N -1.153 119.073 120.300 -0.124 0.000 2.583 371 Y HA 0.125 4.675 4.550 -0.000 0.000 0.293 371 Y C 1.951 177.778 175.900 -0.121 0.000 1.157 371 Y CA 0.140 58.156 58.100 -0.140 0.000 1.315 371 Y CB -0.194 38.148 38.460 -0.196 0.000 1.021 371 Y HN 0.783 nan 8.280 nan 0.000 0.536 372 Y N -1.093 119.142 120.300 -0.109 0.000 2.352 372 Y HA -0.202 4.348 4.550 -0.000 0.000 0.292 372 Y C 2.053 177.850 175.900 -0.172 0.000 1.136 372 Y CA 1.027 59.038 58.100 -0.148 0.000 1.227 372 Y CB -0.096 38.306 38.460 -0.097 0.000 0.991 372 Y HN -0.090 nan 8.280 nan 0.000 0.545 373 V N -1.308 118.613 119.914 0.012 0.000 2.379 373 V HA -0.272 3.848 4.120 -0.000 0.000 0.245 373 V C 2.204 178.213 176.094 -0.142 0.000 1.044 373 V CA 1.651 63.946 62.300 -0.009 0.000 1.036 373 V CB -0.578 31.248 31.823 0.006 0.000 0.664 373 V HN 0.271 nan 8.190 nan 0.000 0.453 374 V N 0.420 120.095 119.914 -0.397 0.000 2.392 374 V HA -0.284 3.836 4.120 -0.000 0.000 0.249 374 V C 2.665 178.313 176.094 -0.743 0.000 1.059 374 V CA 2.066 63.827 62.300 -0.898 0.000 1.051 374 V CB -1.117 30.211 31.823 -0.825 0.000 0.658 374 V HN 0.567 nan 8.190 nan 0.000 0.455 375 A N -0.180 122.329 122.820 -0.518 0.000 1.873 375 A HA -0.277 4.043 4.320 -0.000 0.000 0.215 375 A C 2.096 179.375 177.584 -0.510 0.000 1.186 375 A CA 2.187 53.872 52.037 -0.587 0.000 0.616 375 A CB -0.875 17.466 19.000 -1.099 0.000 0.823 375 A HN 0.793 nan 8.150 nan 0.000 0.442 376 H N -0.054 118.688 119.070 -0.546 0.000 2.251 376 H HA -0.248 4.308 4.556 -0.000 0.000 0.294 376 H C 1.797 176.980 175.328 -0.242 0.000 1.078 376 H CA 2.688 58.509 56.048 -0.378 0.000 1.246 376 H CB -0.747 28.856 29.762 -0.264 0.000 1.358 376 H HN 0.588 nan 8.280 nan 0.000 0.488 377 F N -0.886 118.897 119.950 -0.279 0.000 2.269 377 F HA -0.053 4.474 4.527 -0.000 0.000 0.301 377 F C 1.815 177.292 175.800 -0.538 0.000 1.082 377 F CA 1.238 58.963 58.000 -0.459 0.000 1.360 377 F CB -0.658 38.210 39.000 -0.220 0.000 1.041 377 F HN 0.205 nan 8.300 nan 0.000 0.512 378 H N -1.873 116.832 119.070 -0.607 0.000 2.529 378 H HA 0.017 4.573 4.556 -0.000 0.000 0.277 378 H C 1.282 176.208 175.328 -0.669 0.000 0.999 378 H CA 1.388 56.954 56.048 -0.804 0.000 1.256 378 H CB -0.208 28.560 29.762 -1.657 0.000 1.402 378 H HN 0.281 nan 8.280 nan 0.000 0.566 379 Y N -0.196 119.770 120.300 -0.556 0.000 2.337 379 Y HA -0.105 4.445 4.550 -0.000 0.000 0.293 379 Y C 2.246 177.862 175.900 -0.473 0.000 1.123 379 Y CA 1.035 58.848 58.100 -0.478 0.000 1.201 379 Y CB 0.147 38.359 38.460 -0.413 0.000 1.011 379 Y HN 0.158 nan 8.280 nan 0.000 0.545 380 V N -3.509 116.195 119.914 -0.348 0.000 3.590 380 V HA 0.080 4.200 4.120 -0.000 0.000 0.265 380 V C 1.376 177.343 176.094 -0.212 0.000 1.239 380 V CA 0.718 62.839 62.300 -0.297 0.000 1.117 380 V CB -0.314 31.254 31.823 -0.426 0.000 0.818 380 V HN 0.270 nan 8.190 nan 0.000 0.451 381 L N -0.372 120.683 121.223 -0.280 0.000 2.453 381 L HA 0.268 4.608 4.340 -0.000 0.000 0.190 381 L C 2.427 179.164 176.870 -0.221 0.000 1.093 381 L CA 1.126 55.818 54.840 -0.247 0.000 0.834 381 L CB -0.332 41.544 42.059 -0.305 0.000 1.090 381 L HN 0.186 nan 8.230 nan 0.000 0.489 382 S N -0.816 114.712 115.700 -0.288 0.000 2.607 382 S HA 0.130 4.600 4.470 -0.000 0.000 0.224 382 S C 1.449 175.908 174.600 -0.235 0.000 0.969 382 S CA 0.714 58.801 58.200 -0.189 0.000 0.927 382 S CB 0.062 63.162 63.200 -0.166 0.000 0.772 382 S HN 0.245 nan 8.310 nan 0.000 0.533 383 M N -1.691 117.670 119.600 -0.398 0.000 2.180 383 M HA 0.260 4.740 4.480 -0.000 0.000 0.266 383 M C 1.928 177.880 176.300 -0.579 0.000 1.200 383 M CA 0.459 55.309 55.300 -0.750 0.000 1.101 383 M CB -0.007 32.049 32.600 -0.907 0.000 1.769 383 M HN 0.295 nan 8.290 nan 0.000 0.609 384 G N 0.454 109.072 108.800 -0.302 0.000 2.654 384 G HA2 0.025 3.985 3.960 -0.000 0.000 0.215 384 G HA3 0.025 3.985 3.960 -0.000 0.000 0.215 384 G C 1.461 176.501 174.900 0.233 0.000 1.310 384 G CA 0.875 45.872 45.100 -0.172 0.000 0.866 384 G HN 0.403 nan 8.290 nan 0.000 0.558 385 A N -0.311 122.583 122.820 0.123 0.000 1.948 385 A HA -0.016 4.304 4.320 -0.000 0.000 0.220 385 A C 2.594 180.264 177.584 0.145 0.000 1.177 385 A CA 2.145 54.255 52.037 0.122 0.000 0.636 385 A CB -0.807 18.180 19.000 -0.023 0.000 0.815 385 A HN 0.309 nan 8.150 nan 0.000 0.449 386 V N -1.301 118.690 119.914 0.129 0.000 2.358 386 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 386 V C 2.294 178.566 176.094 0.296 0.000 1.047 386 V CA 1.924 64.329 62.300 0.174 0.000 1.035 386 V CB -0.793 31.129 31.823 0.165 0.000 0.658 386 V HN 0.664 nan 8.190 nan 0.000 0.452 387 F N 0.170 120.212 119.950 0.153 0.000 2.134 387 F HA -0.213 4.314 4.527 -0.000 0.000 0.299 387 F C 2.517 178.351 175.800 0.057 0.000 1.097 387 F CA 0.896 59.031 58.000 0.225 0.000 1.264 387 F CB -0.408 38.931 39.000 0.565 0.000 1.001 387 F HN 0.177 nan 8.300 nan 0.000 0.479 388 A N 0.769 123.787 122.820 0.331 0.000 1.883 388 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 388 A C 2.086 179.619 177.584 -0.085 0.000 1.186 388 A CA 1.624 53.654 52.037 -0.011 0.000 0.624 388 A CB -1.101 17.846 19.000 -0.088 0.000 0.822 388 A HN 0.398 nan 8.150 nan 0.000 0.444 389 I N -0.870 119.694 120.570 -0.011 0.000 2.163 389 I HA -0.312 3.858 4.170 -0.000 0.000 0.243 389 I C 2.627 178.727 176.117 -0.029 0.000 1.085 389 I CA 1.336 62.655 61.300 0.031 0.000 1.347 389 I CB -0.335 37.733 38.000 0.114 0.000 1.044 389 I HN 0.272 nan 8.210 nan 0.000 0.408 390 M N 0.423 119.846 119.600 -0.294 0.000 2.067 390 M HA -0.114 4.366 4.480 -0.000 0.000 0.260 390 M C 2.441 178.424 176.300 -0.528 0.000 1.069 390 M CA 1.994 56.914 55.300 -0.633 0.000 1.117 390 M CB -2.206 29.360 32.600 -1.724 0.000 1.334 390 M HN 0.304 nan 8.290 nan 0.000 0.407 391 G N -0.230 108.232 108.800 -0.562 0.000 2.491 391 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.218 391 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.218 391 G C 1.621 176.475 174.900 -0.077 0.000 1.180 391 G CA 1.316 46.300 45.100 -0.193 0.000 0.774 391 G HN 0.564 nan 8.290 nan 0.000 0.562 392 G N 0.329 109.061 108.800 -0.114 0.000 2.446 392 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.217 392 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.217 392 G C 1.658 176.779 174.900 0.368 0.000 1.168 392 G CA 1.028 46.109 45.100 -0.032 0.000 0.771 392 G HN 0.363 nan 8.290 nan 0.000 0.551 393 F N 1.855 122.008 119.950 0.338 0.000 2.095 393 F HA -0.204 4.323 4.527 -0.000 0.000 0.298 393 F C 2.836 178.834 175.800 0.331 0.000 1.104 393 F CA 2.330 60.650 58.000 0.533 0.000 1.232 393 F CB -0.418 38.779 39.000 0.329 0.000 0.987 393 F HN 0.089 nan 8.300 nan 0.000 0.475 394 V N -1.408 118.704 119.914 0.330 0.000 2.358 394 V HA -0.254 3.866 4.120 -0.000 0.000 0.246 394 V C 2.376 178.547 176.094 0.128 0.000 1.047 394 V CA 2.368 64.790 62.300 0.203 0.000 1.035 394 V CB -1.476 30.510 31.823 0.273 0.000 0.658 394 V HN 0.529 nan 8.190 nan 0.000 0.452 395 H N -0.490 118.560 119.070 -0.033 0.000 2.253 395 H HA -0.154 4.402 4.556 -0.000 0.000 0.296 395 H C 1.830 177.047 175.328 -0.185 0.000 1.074 395 H CA 2.650 58.587 56.048 -0.184 0.000 1.263 395 H CB -0.312 29.139 29.762 -0.518 0.000 1.363 395 H HN 0.536 nan 8.280 nan 0.000 0.489 396 W N 0.256 121.471 121.300 -0.142 0.000 3.256 396 W HA 0.006 4.666 4.660 -0.000 0.000 0.269 396 W C 1.558 177.497 176.519 -0.966 0.000 1.310 396 W CA -0.190 56.701 57.345 -0.757 0.000 1.673 396 W CB -0.878 28.020 29.460 -0.936 0.000 1.115 396 W HN 0.265 nan 8.180 nan 0.000 0.686 397 F N 2.579 122.257 119.950 -0.453 0.000 2.095 397 F HA -0.166 4.361 4.527 -0.000 0.000 0.298 397 F C -0.605 174.978 175.800 -0.361 0.000 1.104 397 F CA 1.687 59.391 58.000 -0.493 0.000 1.232 397 F CB -1.299 37.385 39.000 -0.527 0.000 0.987 397 F HN -0.236 nan 8.300 nan 0.000 0.475 398 P HA -0.227 nan 4.420 nan 0.000 0.216 398 P C 1.763 178.887 177.300 -0.294 0.000 1.153 398 P CA 1.449 64.363 63.100 -0.310 0.000 0.858 398 P CB -0.150 31.538 31.700 -0.020 0.000 0.789 399 L N -1.777 119.251 121.223 -0.326 0.000 2.083 399 L HA -0.129 4.211 4.340 -0.000 0.000 0.209 399 L C 1.901 178.442 176.870 -0.549 0.000 1.083 399 L CA 1.996 56.525 54.840 -0.519 0.000 0.752 399 L CB -1.272 39.994 42.059 -1.322 0.000 0.899 399 L HN -0.147 nan 8.230 nan 0.000 0.433 400 F N -0.825 118.725 119.950 -0.668 0.000 2.270 400 F HA 0.013 4.540 4.527 -0.000 0.000 0.295 400 F C 2.736 178.275 175.800 -0.436 0.000 1.087 400 F CA 0.900 58.401 58.000 -0.833 0.000 1.365 400 F CB -1.507 36.918 39.000 -0.958 0.000 1.056 400 F HN 0.267 nan 8.300 nan 0.000 0.506 401 S N -1.087 114.351 115.700 -0.437 0.000 2.404 401 S HA 0.376 4.846 4.470 -0.000 0.000 0.223 401 S C 2.014 176.301 174.600 -0.521 0.000 1.040 401 S CA 0.762 58.685 58.200 -0.462 0.000 0.957 401 S CB -0.168 62.349 63.200 -1.138 0.000 0.826 401 S HN 0.523 nan 8.310 nan 0.000 0.491 402 G N -0.293 108.161 108.800 -0.576 0.000 2.238 402 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.217 402 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.217 402 G C -0.108 174.400 174.900 -0.654 0.000 0.996 402 G CA 0.096 44.862 45.100 -0.556 0.000 0.632 402 G HN 0.513 nan 8.290 nan 0.000 0.503 403 Y N 1.489 121.540 120.300 -0.415 0.000 2.519 403 Y HA 0.680 5.230 4.550 -0.000 0.000 0.324 403 Y C 1.084 176.804 175.900 -0.300 0.000 1.214 403 Y CA -0.133 57.762 58.100 -0.341 0.000 1.260 403 Y CB 1.291 39.508 38.460 -0.404 0.000 1.311 403 Y HN 0.288 nan 8.280 nan 0.000 0.505 404 T N -0.912 113.685 114.554 0.072 0.000 2.940 404 T HA 0.780 5.130 4.350 -0.000 0.000 0.288 404 T C -0.688 174.113 174.700 0.169 0.000 1.033 404 T CA -0.931 61.221 62.100 0.087 0.000 1.033 404 T CB 0.964 69.861 68.868 0.048 0.000 1.079 404 T HN 0.470 nan 8.240 nan 0.000 0.496 405 L N 1.589 122.933 121.223 0.202 0.000 2.387 405 L HA 0.479 4.819 4.340 -0.000 0.000 0.266 405 L C 0.780 177.730 176.870 0.134 0.000 1.059 405 L CA -1.232 53.705 54.840 0.162 0.000 0.801 405 L CB 0.838 42.986 42.059 0.148 0.000 1.223 405 L HN 0.687 nan 8.230 nan 0.000 0.456 406 N N 0.962 119.757 118.700 0.158 0.000 2.448 406 N HA -0.025 4.715 4.740 -0.000 0.000 0.250 406 N C 0.235 175.865 175.510 0.200 0.000 1.136 406 N CA 0.075 53.243 53.050 0.198 0.000 0.953 406 N CB 0.770 39.462 38.487 0.342 0.000 1.251 406 N HN 0.541 nan 8.380 nan 0.000 0.502 407 D N 1.681 122.161 120.400 0.132 0.000 2.191 407 D HA -0.162 4.478 4.640 -0.000 0.000 0.195 407 D C 1.177 177.542 176.300 0.109 0.000 1.003 407 D CA 1.665 55.731 54.000 0.110 0.000 0.867 407 D CB 0.294 41.137 40.800 0.071 0.000 0.926 407 D HN 0.515 nan 8.370 nan 0.000 0.450 408 T N -1.286 113.319 114.554 0.085 0.000 2.770 408 T HA -0.124 4.226 4.350 -0.000 0.000 0.263 408 T C 1.663 176.440 174.700 0.128 0.000 1.039 408 T CA 0.833 62.954 62.100 0.034 0.000 1.142 408 T CB -0.512 68.311 68.868 -0.075 0.000 0.868 408 T HN 0.349 nan 8.240 nan 0.000 0.435 409 W N 1.336 122.702 121.300 0.111 0.000 2.342 409 W HA -0.110 4.550 4.660 -0.000 0.000 0.297 409 W C 2.771 179.395 176.519 0.174 0.000 1.213 409 W CA 0.530 57.971 57.345 0.161 0.000 1.251 409 W CB -0.195 29.375 29.460 0.184 0.000 1.136 409 W HN 0.243 nan 8.180 nan 0.000 0.526 410 A N 0.416 123.467 122.820 0.386 0.000 1.898 410 A HA -0.208 4.112 4.320 -0.000 0.000 0.216 410 A C 1.828 179.570 177.584 0.264 0.000 1.181 410 A CA 1.732 53.957 52.037 0.313 0.000 0.620 410 A CB -0.626 18.518 19.000 0.239 0.000 0.819 410 A HN 0.288 nan 8.150 nan 0.000 0.442 411 K N -0.529 119.966 120.400 0.158 0.000 2.209 411 K HA -0.000 4.320 4.320 -0.000 0.000 0.204 411 K C 1.701 178.387 176.600 0.143 0.000 1.048 411 K CA 1.188 57.514 56.287 0.065 0.000 0.940 411 K CB -0.287 32.219 32.500 0.010 0.000 0.729 411 K HN 0.532 nan 8.250 nan 0.000 0.451 412 I N 0.466 121.168 120.570 0.220 0.000 2.193 412 I HA -0.276 3.894 4.170 -0.000 0.000 0.240 412 I C 2.680 178.962 176.117 0.276 0.000 1.084 412 I CA 1.096 62.540 61.300 0.241 0.000 1.365 412 I CB -0.372 37.825 38.000 0.328 0.000 1.064 412 I HN 0.322 nan 8.210 nan 0.000 0.410 413 H N 0.723 119.951 119.070 0.263 0.000 2.390 413 H HA -0.286 4.270 4.556 -0.000 0.000 0.298 413 H C 2.165 177.606 175.328 0.189 0.000 1.106 413 H CA 2.184 58.388 56.048 0.259 0.000 1.297 413 H CB -0.131 29.832 29.762 0.334 0.000 1.375 413 H HN 0.379 nan 8.280 nan 0.000 0.509 414 F N 1.072 120.957 119.950 -0.109 0.000 2.128 414 F HA -0.012 4.515 4.527 -0.000 0.000 0.295 414 F C 2.685 178.278 175.800 -0.345 0.000 1.100 414 F CA 1.562 59.184 58.000 -0.631 0.000 1.260 414 F CB -0.683 37.660 39.000 -1.095 0.000 1.009 414 F HN 0.169 nan 8.300 nan 0.000 0.476 415 A N 1.175 123.913 122.820 -0.136 0.000 1.917 415 A HA -0.178 4.142 4.320 -0.000 0.000 0.219 415 A C 2.293 179.806 177.584 -0.119 0.000 1.182 415 A CA 2.144 54.069 52.037 -0.187 0.000 0.633 415 A CB -1.294 17.701 19.000 -0.010 0.000 0.819 415 A HN 0.563 nan 8.150 nan 0.000 0.448 416 I N -1.742 118.791 120.570 -0.061 0.000 2.133 416 I HA -0.271 3.899 4.170 -0.000 0.000 0.238 416 I C 2.648 178.739 176.117 -0.043 0.000 1.074 416 I CA 1.985 63.273 61.300 -0.021 0.000 1.342 416 I CB -0.335 37.672 38.000 0.013 0.000 1.053 416 I HN 0.400 nan 8.210 nan 0.000 0.404 417 M N 0.551 120.088 119.600 -0.106 0.000 2.149 417 M HA -0.268 4.212 4.480 -0.000 0.000 0.261 417 M C 2.043 178.382 176.300 0.066 0.000 1.064 417 M CA 1.879 57.170 55.300 -0.015 0.000 1.102 417 M CB -0.611 32.006 32.600 0.028 0.000 1.369 417 M HN 0.178 nan 8.290 nan 0.000 0.408 418 F N -0.491 119.284 119.950 -0.291 0.000 2.046 418 F HA -0.223 4.304 4.527 -0.000 0.000 0.297 418 F C 2.027 177.775 175.800 -0.088 0.000 1.123 418 F CA 2.082 59.943 58.000 -0.233 0.000 1.199 418 F CB -0.812 37.818 39.000 -0.616 0.000 0.972 418 F HN -0.031 nan 8.300 nan 0.000 0.474 419 V N 0.378 120.327 119.914 0.057 0.000 2.287 419 V HA -0.270 3.850 4.120 -0.000 0.000 0.248 419 V C 2.720 178.787 176.094 -0.045 0.000 1.053 419 V CA 1.979 64.273 62.300 -0.009 0.000 1.027 419 V CB -1.675 30.177 31.823 0.049 0.000 0.646 419 V HN 0.577 nan 8.190 nan 0.000 0.447 420 G N 0.681 109.476 108.800 -0.009 0.000 2.628 420 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.217 420 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.217 420 G C 1.775 176.658 174.900 -0.029 0.000 1.240 420 G CA 2.212 47.310 45.100 -0.002 0.000 0.792 420 G HN 0.642 nan 8.290 nan 0.000 0.593 421 V N -0.531 119.391 119.914 0.013 0.000 2.392 421 V HA -0.206 3.914 4.120 -0.000 0.000 0.249 421 V C 2.305 178.391 176.094 -0.015 0.000 1.059 421 V CA 2.386 64.728 62.300 0.070 0.000 1.051 421 V CB -0.662 31.236 31.823 0.126 0.000 0.658 421 V HN 0.287 nan 8.190 nan 0.000 0.455 422 N N 0.281 118.881 118.700 -0.167 0.000 2.080 422 N HA -0.115 4.625 4.740 -0.000 0.000 0.189 422 N C 1.893 177.388 175.510 -0.025 0.000 1.036 422 N CA 2.229 55.179 53.050 -0.167 0.000 0.846 422 N CB -0.374 37.911 38.487 -0.335 0.000 1.015 422 N HN 0.635 nan 8.380 nan 0.000 0.423 423 M N 0.824 120.395 119.600 -0.049 0.000 2.213 423 M HA -0.139 4.341 4.480 -0.000 0.000 0.263 423 M C 1.623 177.883 176.300 -0.067 0.000 1.062 423 M CA 1.296 56.593 55.300 -0.005 0.000 1.105 423 M CB -0.135 32.466 32.600 0.002 0.000 1.385 423 M HN 0.001 nan 8.290 nan 0.000 0.417 424 T N 0.455 114.898 114.554 -0.184 0.000 2.668 424 T HA -0.097 4.253 4.350 -0.000 0.000 0.262 424 T C 1.175 175.537 174.700 -0.564 0.000 1.045 424 T CA 1.849 63.677 62.100 -0.453 0.000 1.152 424 T CB -0.362 68.026 68.868 -0.800 0.000 0.864 424 T HN 0.453 nan 8.240 nan 0.000 0.419 425 F N -0.299 119.601 119.950 -0.083 0.000 2.619 425 F HA 0.291 4.818 4.527 -0.000 0.000 0.293 425 F C 1.808 177.570 175.800 -0.062 0.000 1.119 425 F CA -0.372 57.568 58.000 -0.099 0.000 1.445 425 F CB -0.418 38.535 39.000 -0.079 0.000 1.119 425 F HN 0.061 nan 8.300 nan 0.000 0.573 426 F N 2.713 122.697 119.950 0.056 0.000 2.134 426 F HA -0.049 4.478 4.527 -0.000 0.000 0.299 426 F C -0.898 174.689 175.800 -0.355 0.000 1.097 426 F CA 1.017 59.006 58.000 -0.018 0.000 1.264 426 F CB -1.660 37.338 39.000 -0.004 0.000 1.001 426 F HN -0.135 nan 8.300 nan 0.000 0.479 427 P HA -0.183 nan 4.420 nan 0.000 0.219 427 P C 1.043 177.969 177.300 -0.625 0.000 1.146 427 P CA 1.684 64.399 63.100 -0.642 0.000 0.808 427 P CB -0.218 31.380 31.700 -0.170 0.000 0.779 428 Q N -2.003 117.522 119.800 -0.458 0.000 2.500 428 Q HA -0.165 4.175 4.340 -0.000 0.000 0.213 428 Q C 1.510 177.268 176.000 -0.403 0.000 0.974 428 Q CA 0.882 56.491 55.803 -0.323 0.000 0.918 428 Q CB -0.620 28.034 28.738 -0.140 0.000 0.980 428 Q HN 0.555 nan 8.270 nan 0.000 0.505 429 H N -0.790 117.900 119.070 -0.633 0.000 2.363 429 H HA -0.094 4.462 4.556 -0.000 0.000 0.301 429 H C 1.353 176.539 175.328 -0.236 0.000 1.074 429 H CA 1.320 57.033 56.048 -0.558 0.000 1.354 429 H CB 0.142 29.320 29.762 -0.973 0.000 1.397 429 H HN 0.178 nan 8.280 nan 0.000 0.516 430 F N 0.513 120.282 119.950 -0.302 0.000 2.075 430 F HA -0.149 4.378 4.527 -0.000 0.000 0.297 430 F C 2.253 177.983 175.800 -0.118 0.000 1.113 430 F CA 0.919 58.746 58.000 -0.288 0.000 1.218 430 F CB -1.080 37.493 39.000 -0.712 0.000 0.984 430 F HN 0.081 nan 8.300 nan 0.000 0.472 431 L N -0.296 120.955 121.223 0.047 0.000 2.042 431 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 431 L C 2.738 179.577 176.870 -0.051 0.000 1.076 431 L CA 1.472 56.282 54.840 -0.050 0.000 0.749 431 L CB -1.530 40.373 42.059 -0.261 0.000 0.893 431 L HN 0.295 nan 8.230 nan 0.000 0.432 432 G N 0.198 109.022 108.800 0.040 0.000 2.433 432 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.216 432 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.216 432 G C 1.605 176.533 174.900 0.048 0.000 1.186 432 G CA 0.522 45.677 45.100 0.092 0.000 0.779 432 G HN 0.221 nan 8.290 nan 0.000 0.543 433 L N 1.500 122.762 121.223 0.065 0.000 2.131 433 L HA -0.072 4.268 4.340 -0.000 0.000 0.210 433 L C 2.976 179.874 176.870 0.047 0.000 1.092 433 L CA 1.444 56.283 54.840 -0.003 0.000 0.759 433 L CB -0.334 41.738 42.059 0.021 0.000 0.903 433 L HN 0.456 nan 8.230 nan 0.000 0.435 434 S N -0.712 115.055 115.700 0.111 0.000 2.650 434 S HA 0.133 4.603 4.470 -0.000 0.000 0.219 434 S C 1.421 176.150 174.600 0.214 0.000 0.960 434 S CA 0.364 58.675 58.200 0.184 0.000 0.925 434 S CB 0.202 63.584 63.200 0.302 0.000 0.775 434 S HN 0.570 nan 8.310 nan 0.000 0.525 435 G N 1.092 109.949 108.800 0.095 0.000 2.141 435 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.242 435 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.242 435 G C -0.068 174.817 174.900 -0.024 0.000 0.982 435 G CA 0.165 45.312 45.100 0.077 0.000 0.662 435 G HN 0.656 nan 8.290 nan 0.000 0.527 436 M N 1.657 121.080 119.600 -0.296 0.000 2.268 436 M HA 0.387 4.867 4.480 -0.000 0.000 0.349 436 M C -2.017 174.162 176.300 -0.202 0.000 1.485 436 M CA -1.240 53.756 55.300 -0.506 0.000 1.094 436 M CB 0.688 32.745 32.600 -0.905 0.000 1.843 436 M HN 0.007 nan 8.290 nan 0.000 0.460 437 P HA 0.244 nan 4.420 nan 0.000 0.274 437 P C -1.126 176.041 177.300 -0.222 0.000 1.246 437 P CA -0.282 62.594 63.100 -0.373 0.000 0.795 437 P CB 0.616 31.792 31.700 -0.873 0.000 1.006 438 R N 0.795 121.207 120.500 -0.148 0.000 2.543 438 R HA 0.375 4.715 4.340 -0.000 0.000 0.268 438 R C 0.407 176.766 176.300 0.098 0.000 1.067 438 R CA -0.506 55.581 56.100 -0.022 0.000 1.142 438 R CB 0.193 30.439 30.300 -0.090 0.000 1.110 438 R HN 0.410 nan 8.270 nan 0.000 0.549 439 R N -0.446 120.215 120.500 0.269 0.000 3.651 439 R HA -0.238 4.102 4.340 -0.000 0.000 0.292 439 R C -1.068 175.570 176.300 0.563 0.000 1.161 439 R CA 0.785 57.139 56.100 0.423 0.000 0.787 439 R CB -2.121 28.348 30.300 0.281 0.000 1.249 439 R HN 0.565 nan 8.270 nan 0.000 0.476 440 Y N -0.164 120.261 120.300 0.209 0.000 2.328 440 Y HA 0.117 4.667 4.550 -0.000 0.000 0.337 440 Y C 1.774 177.468 175.900 -0.343 0.000 1.008 440 Y CA -0.219 57.889 58.100 0.013 0.000 1.129 440 Y CB 1.508 40.020 38.460 0.086 0.000 1.185 440 Y HN 0.221 nan 8.280 nan 0.000 0.476 441 S N 0.656 116.068 115.700 -0.479 0.000 2.461 441 S HA -0.049 4.421 4.470 -0.000 0.000 0.228 441 S C 0.035 174.456 174.600 -0.299 0.000 1.005 441 S CA 0.663 58.377 58.200 -0.811 0.000 0.942 441 S CB 0.141 62.990 63.200 -0.585 0.000 0.776 441 S HN 0.706 nan 8.310 nan 0.000 0.514 442 D N -0.549 119.757 120.400 -0.156 0.000 2.552 442 D HA 0.575 5.215 4.640 -0.000 0.000 0.239 442 D C -1.309 175.013 176.300 0.035 0.000 1.139 442 D CA -0.925 53.001 54.000 -0.124 0.000 0.914 442 D CB 1.707 42.372 40.800 -0.225 0.000 1.461 442 D HN 0.330 nan 8.370 nan 0.000 0.462 443 Y N -2.083 118.244 120.300 0.045 0.000 2.615 443 Y HA 0.746 5.296 4.550 -0.000 0.000 0.341 443 Y C -2.702 173.289 175.900 0.152 0.000 1.089 443 Y CA -2.501 55.707 58.100 0.181 0.000 1.049 443 Y CB 0.054 38.659 38.460 0.242 0.000 1.296 443 Y HN 0.084 nan 8.280 nan 0.000 0.470 444 P HA 0.068 nan 4.420 nan 0.000 0.268 444 P C -0.020 177.287 177.300 0.012 0.000 1.208 444 P CA 0.217 63.345 63.100 0.047 0.000 0.777 444 P CB 0.799 32.489 31.700 -0.017 0.000 0.875 445 D N 1.417 121.766 120.400 -0.085 0.000 2.190 445 D HA -0.170 4.470 4.640 -0.000 0.000 0.200 445 D C 1.776 178.035 176.300 -0.068 0.000 0.992 445 D CA 1.644 55.600 54.000 -0.073 0.000 0.854 445 D CB -0.558 40.186 40.800 -0.093 0.000 0.936 445 D HN 0.359 nan 8.370 nan 0.000 0.462 446 A N -0.125 122.573 122.820 -0.203 0.000 2.067 446 A HA -0.164 4.156 4.320 -0.000 0.000 0.219 446 A C 1.228 178.742 177.584 -0.116 0.000 1.158 446 A CA 0.737 52.635 52.037 -0.231 0.000 0.661 446 A CB -0.672 18.127 19.000 -0.336 0.000 0.801 446 A HN 0.219 nan 8.150 nan 0.000 0.452 447 Y N 0.170 120.535 120.300 0.108 0.000 2.490 447 Y HA 0.050 4.600 4.550 -0.000 0.000 0.281 447 Y C 2.384 178.315 175.900 0.052 0.000 1.174 447 Y CA 0.360 58.510 58.100 0.082 0.000 1.295 447 Y CB -1.267 37.262 38.460 0.115 0.000 1.062 447 Y HN 0.229 nan 8.280 nan 0.000 0.522 448 T N 0.122 114.836 114.554 0.267 0.000 2.708 448 T HA -0.281 4.069 4.350 -0.000 0.000 0.266 448 T C 2.117 176.831 174.700 0.023 0.000 1.037 448 T CA 1.702 63.945 62.100 0.237 0.000 1.146 448 T CB -0.247 68.702 68.868 0.135 0.000 0.865 448 T HN 0.404 nan 8.240 nan 0.000 0.435 449 M N -0.141 119.357 119.600 -0.170 0.000 2.115 449 M HA -0.161 4.319 4.480 -0.000 0.000 0.258 449 M C 1.904 178.109 176.300 -0.160 0.000 1.071 449 M CA 2.082 57.178 55.300 -0.340 0.000 1.100 449 M CB -0.362 31.764 32.600 -0.790 0.000 1.292 449 M HN 0.431 nan 8.290 nan 0.000 0.415 450 W N 0.182 121.489 121.300 0.012 0.000 2.374 450 W HA -0.111 4.549 4.660 -0.000 0.000 0.288 450 W C 2.171 178.627 176.519 -0.104 0.000 1.218 450 W CA 0.167 57.508 57.345 -0.008 0.000 1.245 450 W CB -0.704 28.774 29.460 0.031 0.000 1.126 450 W HN 0.347 nan 8.180 nan 0.000 0.545 451 N N -0.076 118.644 118.700 0.034 0.000 2.309 451 N HA -0.098 4.642 4.740 -0.000 0.000 0.182 451 N C 1.458 176.941 175.510 -0.046 0.000 1.018 451 N CA 1.659 54.616 53.050 -0.155 0.000 0.876 451 N CB -0.229 37.978 38.487 -0.467 0.000 0.972 451 N HN 0.128 nan 8.380 nan 0.000 0.434 452 T N 1.578 116.140 114.554 0.014 0.000 2.809 452 T HA 0.097 4.447 4.350 -0.000 0.000 0.260 452 T C 2.127 176.837 174.700 0.017 0.000 1.039 452 T CA 0.314 62.421 62.100 0.011 0.000 1.141 452 T CB 0.086 68.956 68.868 0.003 0.000 0.869 452 T HN 0.128 nan 8.240 nan 0.000 0.437 453 I N 1.070 121.686 120.570 0.077 0.000 2.163 453 I HA -0.218 3.952 4.170 -0.000 0.000 0.243 453 I C 2.807 178.949 176.117 0.042 0.000 1.085 453 I CA 1.105 62.468 61.300 0.105 0.000 1.347 453 I CB -0.430 37.725 38.000 0.258 0.000 1.044 453 I HN 0.259 nan 8.210 nan 0.000 0.408 454 S N 0.289 115.995 115.700 0.010 0.000 2.359 454 S HA -0.213 4.257 4.470 -0.000 0.000 0.224 454 S C 2.189 176.727 174.600 -0.103 0.000 1.035 454 S CA 2.224 60.363 58.200 -0.100 0.000 1.018 454 S CB -0.196 62.915 63.200 -0.150 0.000 0.876 454 S HN 0.425 nan 8.310 nan 0.000 0.448 455 S N 0.986 116.657 115.700 -0.048 0.000 2.419 455 S HA 0.015 4.485 4.470 -0.000 0.000 0.233 455 S C 1.832 176.469 174.600 0.062 0.000 1.016 455 S CA 1.363 59.570 58.200 0.012 0.000 0.974 455 S CB -0.329 62.875 63.200 0.007 0.000 0.786 455 S HN 0.521 nan 8.310 nan 0.000 0.492 456 M N 0.813 120.412 119.600 -0.001 0.000 2.123 456 M HA 0.002 4.482 4.480 -0.000 0.000 0.263 456 M C 2.575 178.923 176.300 0.081 0.000 1.069 456 M CA 1.419 56.724 55.300 0.008 0.000 1.133 456 M CB -0.853 31.738 32.600 -0.015 0.000 1.356 456 M HN 0.444 nan 8.290 nan 0.000 0.415 457 G N 0.111 108.923 108.800 0.021 0.000 2.442 457 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.219 457 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.219 457 G C 1.610 176.509 174.900 -0.001 0.000 1.141 457 G CA 1.308 46.404 45.100 -0.008 0.000 0.763 457 G HN 0.562 nan 8.290 nan 0.000 0.554 458 S N -0.525 115.174 115.700 -0.002 0.000 2.474 458 S HA 0.065 4.535 4.470 -0.000 0.000 0.235 458 S C 2.005 176.636 174.600 0.051 0.000 0.997 458 S CA 0.657 58.853 58.200 -0.006 0.000 0.949 458 S CB -0.444 62.745 63.200 -0.019 0.000 0.766 458 S HN 0.302 nan 8.310 nan 0.000 0.517 459 F N 1.174 121.101 119.950 -0.039 0.000 2.270 459 F HA 0.332 4.859 4.527 -0.000 0.000 0.295 459 F C 2.169 177.967 175.800 -0.004 0.000 1.087 459 F CA 0.473 58.465 58.000 -0.015 0.000 1.365 459 F CB -0.102 38.891 39.000 -0.012 0.000 1.056 459 F HN 0.164 nan 8.300 nan 0.000 0.506 460 I N -0.832 119.823 120.570 0.142 0.000 2.179 460 I HA -0.313 3.857 4.170 -0.000 0.000 0.242 460 I C 2.256 178.395 176.117 0.037 0.000 1.088 460 I CA 1.297 62.644 61.300 0.079 0.000 1.357 460 I CB -0.611 37.426 38.000 0.062 0.000 1.051 460 I HN -0.007 nan 8.210 nan 0.000 0.409 461 S N 0.797 116.512 115.700 0.025 0.000 2.442 461 S HA -0.144 4.326 4.470 -0.000 0.000 0.236 461 S C 1.825 176.424 174.600 -0.002 0.000 1.007 461 S CA 0.977 59.191 58.200 0.023 0.000 0.965 461 S CB -0.282 62.946 63.200 0.047 0.000 0.773 461 S HN 0.324 nan 8.310 nan 0.000 0.504 462 L N 1.585 122.773 121.223 -0.058 0.000 2.072 462 L HA -0.008 4.332 4.340 -0.000 0.000 0.205 462 L C 2.200 179.042 176.870 -0.048 0.000 1.079 462 L CA 1.720 56.495 54.840 -0.108 0.000 0.752 462 L CB -1.229 40.659 42.059 -0.285 0.000 0.906 462 L HN 0.122 nan 8.230 nan 0.000 0.436 463 T N 0.151 114.694 114.554 -0.019 0.000 2.684 463 T HA -0.187 4.163 4.350 -0.000 0.000 0.267 463 T C 1.932 176.662 174.700 0.050 0.000 1.036 463 T CA 1.496 63.606 62.100 0.017 0.000 1.148 463 T CB -0.598 68.294 68.868 0.041 0.000 0.863 463 T HN 0.539 nan 8.240 nan 0.000 0.436 464 A N 0.997 123.844 122.820 0.046 0.000 1.883 464 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 464 A C 2.602 180.297 177.584 0.184 0.000 1.186 464 A CA 1.674 53.745 52.037 0.056 0.000 0.624 464 A CB -1.179 17.765 19.000 -0.094 0.000 0.822 464 A HN 0.351 nan 8.150 nan 0.000 0.444 465 V N -0.050 119.941 119.914 0.128 0.000 2.392 465 V HA -0.336 3.784 4.120 -0.000 0.000 0.249 465 V C 2.648 178.807 176.094 0.109 0.000 1.059 465 V CA 2.322 64.711 62.300 0.148 0.000 1.051 465 V CB -0.700 31.161 31.823 0.063 0.000 0.658 465 V HN 0.584 nan 8.190 nan 0.000 0.455 466 M N -1.277 118.361 119.600 0.064 0.000 2.132 466 M HA -0.139 4.341 4.480 -0.000 0.000 0.263 466 M C 2.205 178.548 176.300 0.073 0.000 1.065 466 M CA 1.588 56.908 55.300 0.034 0.000 1.122 466 M CB -0.489 32.106 32.600 -0.009 0.000 1.365 466 M HN 0.331 nan 8.290 nan 0.000 0.411 467 L N 0.878 122.171 121.223 0.117 0.000 1.990 467 L HA -0.247 4.093 4.340 -0.000 0.000 0.213 467 L C 2.540 179.518 176.870 0.181 0.000 1.072 467 L CA 1.948 56.880 54.840 0.153 0.000 0.755 467 L CB -0.704 41.501 42.059 0.243 0.000 0.889 467 L HN 0.304 nan 8.230 nan 0.000 0.432 468 M N -1.556 118.149 119.600 0.175 0.000 2.113 468 M HA -0.302 4.178 4.480 -0.000 0.000 0.255 468 M C 2.126 178.402 176.300 -0.039 0.000 1.073 468 M CA 2.665 57.904 55.300 -0.101 0.000 1.091 468 M CB -0.301 32.237 32.600 -0.104 0.000 1.309 468 M HN 0.200 nan 8.290 nan 0.000 0.407 469 V N 0.594 120.522 119.914 0.024 0.000 2.282 469 V HA -0.316 3.804 4.120 -0.000 0.000 0.249 469 V C 2.180 178.333 176.094 0.097 0.000 1.057 469 V CA 2.473 64.797 62.300 0.041 0.000 1.032 469 V CB -1.081 30.764 31.823 0.036 0.000 0.645 469 V HN 0.670 nan 8.190 nan 0.000 0.447 470 F N 0.689 120.610 119.950 -0.050 0.000 2.069 470 F HA -0.215 4.312 4.527 -0.000 0.000 0.298 470 F C 2.165 177.980 175.800 0.025 0.000 1.113 470 F CA 1.885 59.856 58.000 -0.048 0.000 1.214 470 F CB -0.455 38.434 39.000 -0.185 0.000 0.978 470 F HN 0.077 nan 8.300 nan 0.000 0.474 471 I N 0.409 120.789 120.570 -0.315 0.000 2.194 471 I HA -0.362 3.808 4.170 -0.000 0.000 0.246 471 I C 2.506 178.488 176.117 -0.225 0.000 1.093 471 I CA 1.752 62.801 61.300 -0.417 0.000 1.355 471 I CB -0.606 37.299 38.000 -0.158 0.000 1.046 471 I HN 0.255 nan 8.210 nan 0.000 0.413 472 I N -0.384 120.141 120.570 -0.074 0.000 2.127 472 I HA -0.330 3.840 4.170 -0.000 0.000 0.241 472 I C 2.515 178.761 176.117 0.214 0.000 1.075 472 I CA 1.895 63.226 61.300 0.053 0.000 1.334 472 I CB -0.481 37.599 38.000 0.133 0.000 1.040 472 I HN 0.417 nan 8.210 nan 0.000 0.405 473 W N 2.140 123.414 121.300 -0.044 0.000 2.338 473 W HA -0.263 4.397 4.660 -0.000 0.000 0.304 473 W C 2.529 178.995 176.519 -0.089 0.000 1.212 473 W CA 1.895 59.227 57.345 -0.022 0.000 1.264 473 W CB -0.199 29.222 29.460 -0.066 0.000 1.142 473 W HN 0.097 nan 8.180 nan 0.000 0.512 474 E N 0.686 120.771 120.200 -0.193 0.000 2.085 474 E HA -0.245 4.105 4.350 -0.000 0.000 0.194 474 E C 2.138 178.513 176.600 -0.374 0.000 0.994 474 E CA 1.801 57.907 56.400 -0.490 0.000 0.801 474 E CB -0.590 28.787 29.700 -0.539 0.000 0.743 474 E HN 0.340 nan 8.360 nan 0.000 0.453 475 A N 0.048 122.751 122.820 -0.194 0.000 1.902 475 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 475 A C 2.030 179.435 177.584 -0.298 0.000 1.181 475 A CA 1.229 53.189 52.037 -0.127 0.000 0.623 475 A CB -0.904 18.136 19.000 0.067 0.000 0.818 475 A HN 0.303 nan 8.150 nan 0.000 0.443 476 F N -0.493 119.302 119.950 -0.258 0.000 2.558 476 F HA 0.113 4.640 4.527 -0.000 0.000 0.298 476 F C 2.492 177.950 175.800 -0.571 0.000 1.119 476 F CA 0.685 58.448 58.000 -0.395 0.000 1.451 476 F CB 0.097 39.006 39.000 -0.152 0.000 1.091 476 F HN 0.280 nan 8.300 nan 0.000 0.563 477 A N -1.196 121.280 122.820 -0.573 0.000 1.911 477 A HA -0.026 4.294 4.320 -0.000 0.000 0.212 477 A C 2.281 179.599 177.584 -0.443 0.000 1.189 477 A CA 1.254 52.885 52.037 -0.677 0.000 0.639 477 A CB -0.721 17.480 19.000 -1.332 0.000 0.839 477 A HN 0.190 nan 8.150 nan 0.000 0.449 478 S N -0.613 114.849 115.700 -0.397 0.000 2.368 478 S HA -0.026 4.444 4.470 -0.000 0.000 0.224 478 S C 0.532 175.003 174.600 -0.214 0.000 1.029 478 S CA 1.120 59.177 58.200 -0.239 0.000 0.988 478 S CB -0.205 62.898 63.200 -0.163 0.000 0.838 478 S HN 0.563 nan 8.310 nan 0.000 0.462 479 K N 0.559 120.747 120.400 -0.355 0.000 3.181 479 K HA -0.133 4.187 4.320 -0.000 0.000 0.269 479 K C -0.913 175.724 176.600 0.062 0.000 1.097 479 K CA 0.176 56.266 56.287 -0.329 0.000 0.783 479 K CB -1.146 31.241 32.500 -0.187 0.000 1.267 479 K HN 0.319 nan 8.250 nan 0.000 0.484 480 R N 1.868 122.412 120.500 0.073 0.000 2.351 480 R HA 0.070 4.410 4.340 -0.000 0.000 0.321 480 R C 0.041 176.437 176.300 0.160 0.000 1.182 480 R CA -0.046 56.111 56.100 0.094 0.000 1.011 480 R CB 0.321 30.650 30.300 0.049 0.000 1.048 480 R HN 0.240 nan 8.270 nan 0.000 0.490 481 E N 1.584 121.860 120.200 0.127 0.000 2.398 481 E HA 0.053 4.403 4.350 -0.000 0.000 0.263 481 E C -0.079 176.500 176.600 -0.035 0.000 1.046 481 E CA -0.232 56.175 56.400 0.011 0.000 0.908 481 E CB 1.191 30.887 29.700 -0.007 0.000 0.963 481 E HN 0.176 nan 8.360 nan 0.000 0.431 482 V N 4.063 123.923 119.914 -0.090 0.000 2.649 482 V HA 0.043 4.163 4.120 -0.000 0.000 0.292 482 V C 1.042 177.101 176.094 -0.059 0.000 1.055 482 V CA 0.173 62.429 62.300 -0.074 0.000 1.023 482 V CB 0.946 32.715 31.823 -0.089 0.000 0.992 482 V HN 0.642 nan 8.190 nan 0.000 0.480 483 L N 2.037 123.227 121.223 -0.055 0.000 2.783 483 L HA 0.296 4.636 4.340 -0.000 0.000 0.174 483 L C 0.717 177.554 176.870 -0.055 0.000 1.235 483 L CA 0.474 55.287 54.840 -0.046 0.000 0.862 483 L CB 0.159 42.196 42.059 -0.037 0.000 1.249 483 L HN 0.605 nan 8.230 nan 0.000 0.518 484 T N 0.754 115.265 114.554 -0.071 0.000 2.885 484 T HA 0.621 4.971 4.350 -0.000 0.000 0.285 484 T C -0.743 173.872 174.700 -0.141 0.000 1.019 484 T CA -0.323 61.724 62.100 -0.087 0.000 1.010 484 T CB 2.750 71.574 68.868 -0.073 0.000 1.022 484 T HN -0.155 nan 8.240 nan 0.000 0.466 485 V N 2.403 122.211 119.914 -0.178 0.000 2.612 485 V HA 0.331 4.451 4.120 -0.000 0.000 0.301 485 V C -0.261 175.690 176.094 -0.239 0.000 1.059 485 V CA -1.046 61.075 62.300 -0.299 0.000 0.886 485 V CB 1.925 33.437 31.823 -0.519 0.000 1.007 485 V HN 0.843 nan 8.190 nan 0.000 0.426 486 D N 2.536 122.808 120.400 -0.214 0.000 2.371 486 D HA 0.365 5.005 4.640 -0.000 0.000 0.242 486 D C 1.111 177.260 176.300 -0.251 0.000 1.218 486 D CA 0.161 54.036 54.000 -0.208 0.000 0.945 486 D CB 1.018 41.682 40.800 -0.226 0.000 1.137 486 D HN 0.574 nan 8.370 nan 0.000 0.464 487 L N 0.113 121.191 121.223 -0.242 0.000 4.367 487 L HA -0.339 4.001 4.340 -0.000 0.000 0.424 487 L C 1.766 178.593 176.870 -0.071 0.000 1.152 487 L CA 0.898 55.603 54.840 -0.225 0.000 0.974 487 L CB -2.126 39.644 42.059 -0.483 0.000 2.012 487 L HN 0.586 nan 8.230 nan 0.000 0.922 488 T N -5.130 109.406 114.554 -0.030 0.000 2.977 488 T HA -0.191 4.159 4.350 -0.000 0.000 0.271 488 T C 1.712 176.466 174.700 0.090 0.000 1.105 488 T CA 1.446 63.591 62.100 0.076 0.000 1.116 488 T CB -0.520 68.392 68.868 0.074 0.000 0.878 488 T HN 0.626 nan 8.240 nan 0.000 0.509 489 T N 0.833 115.409 114.554 0.036 0.000 2.803 489 T HA -0.122 4.228 4.350 -0.000 0.000 0.269 489 T C 1.707 176.444 174.700 0.061 0.000 1.052 489 T CA 1.583 63.707 62.100 0.040 0.000 1.136 489 T CB -1.027 67.844 68.868 0.006 0.000 0.864 489 T HN 0.641 nan 8.240 nan 0.000 0.467 490 T N -0.857 113.733 114.554 0.061 0.000 3.296 490 T HA 0.377 4.727 4.350 -0.000 0.000 0.285 490 T C 0.117 174.902 174.700 0.141 0.000 1.014 490 T CA -0.831 61.314 62.100 0.075 0.000 0.920 490 T CB -0.126 68.758 68.868 0.027 0.000 1.143 490 T HN 0.302 nan 8.240 nan 0.000 0.522 491 N N 1.350 120.183 118.700 0.221 0.000 2.666 491 N HA 0.127 4.867 4.740 -0.000 0.000 0.253 491 N C 0.550 176.306 175.510 0.410 0.000 1.621 491 N CA -0.236 53.041 53.050 0.378 0.000 0.785 491 N CB 1.506 40.330 38.487 0.560 0.000 1.332 491 N HN 0.081 nan 8.380 nan 0.000 0.514 492 L N 1.937 123.342 121.223 0.303 0.000 2.211 492 L HA -0.222 4.118 4.340 -0.000 0.000 0.216 492 L C 2.423 179.506 176.870 0.354 0.000 1.092 492 L CA 2.073 57.095 54.840 0.303 0.000 0.767 492 L CB -0.162 42.044 42.059 0.244 0.000 0.894 492 L HN 0.399 nan 8.230 nan 0.000 0.437 493 E N -1.213 119.186 120.200 0.332 0.000 2.118 493 E HA -0.303 4.047 4.350 -0.000 0.000 0.195 493 E C 2.045 178.802 176.600 0.261 0.000 0.992 493 E CA 2.097 58.645 56.400 0.247 0.000 0.804 493 E CB -1.295 28.455 29.700 0.083 0.000 0.741 493 E HN 0.720 nan 8.360 nan 0.000 0.458 494 W N 0.482 121.915 121.300 0.222 0.000 2.595 494 W HA 0.087 4.747 4.660 -0.000 0.000 0.257 494 W C 2.012 178.595 176.519 0.105 0.000 1.267 494 W CA -0.381 57.047 57.345 0.139 0.000 1.300 494 W CB -0.192 29.331 29.460 0.104 0.000 1.120 494 W HN 0.070 nan 8.180 nan 0.000 0.618 495 L N 0.994 122.423 121.223 0.344 0.000 2.351 495 L HA -0.195 4.145 4.340 -0.000 0.000 0.220 495 L C 1.130 178.070 176.870 0.117 0.000 1.127 495 L CA 1.640 56.603 54.840 0.205 0.000 0.786 495 L CB -0.757 41.418 42.059 0.192 0.000 0.914 495 L HN 0.102 nan 8.230 nan 0.000 0.443 496 N N -0.209 118.565 118.700 0.123 0.000 2.279 496 N HA 0.236 4.976 4.740 -0.000 0.000 0.226 496 N C 0.669 176.225 175.510 0.078 0.000 1.126 496 N CA 0.654 53.730 53.050 0.043 0.000 0.846 496 N CB 0.475 38.955 38.487 -0.012 0.000 1.050 496 N HN 0.325 nan 8.380 nan 0.000 0.502 497 G N 0.831 109.700 108.800 0.115 0.000 2.819 497 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.682 497 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.682 497 G C -0.492 174.476 174.900 0.114 0.000 1.481 497 G CA -0.811 44.348 45.100 0.099 0.000 0.904 497 G HN 0.339 nan 8.290 nan 0.000 0.563 498 C N 3.031 122.374 119.300 0.072 0.000 2.271 498 C HA 0.715 5.175 4.460 -0.000 0.000 0.323 498 C C -1.310 173.645 174.990 -0.059 0.000 1.245 498 C CA -1.084 57.949 59.018 0.025 0.000 1.548 498 C CB 0.869 28.625 27.740 0.026 0.000 2.214 498 C HN 0.812 nan 8.230 nan 0.000 0.477 499 P HA 0.424 nan 4.420 nan 0.000 0.290 499 P C -2.603 174.768 177.300 0.118 0.000 1.275 499 P CA -1.519 61.619 63.100 0.063 0.000 0.841 499 P CB 0.915 32.678 31.700 0.105 0.000 1.042 500 P HA 0.172 nan 4.420 nan 0.000 0.272 500 P C -2.286 175.099 177.300 0.142 0.000 1.230 500 P CA -1.274 61.917 63.100 0.152 0.000 0.788 500 P CB -0.897 30.921 31.700 0.197 0.000 0.949 501 P HA -0.027 nan 4.420 nan 0.000 0.272 501 P C 0.862 178.240 177.300 0.129 0.000 1.230 501 P CA -0.134 63.072 63.100 0.175 0.000 0.788 501 P CB 0.550 32.394 31.700 0.240 0.000 0.949 502 Y N 2.416 122.671 120.300 -0.074 0.000 2.062 502 Y HA -0.284 4.266 4.550 -0.000 0.000 0.273 502 Y C 1.376 177.130 175.900 -0.242 0.000 1.206 502 Y CA 1.756 59.675 58.100 -0.303 0.000 1.125 502 Y CB -0.452 37.662 38.460 -0.576 0.000 0.951 502 Y HN 0.416 nan 8.280 nan 0.000 0.501 503 H N -0.681 118.301 119.070 -0.145 0.000 2.458 503 H HA 0.550 5.106 4.556 -0.000 0.000 0.330 503 H C -0.436 174.862 175.328 -0.049 0.000 1.111 503 H CA -0.427 55.533 56.048 -0.146 0.000 1.245 503 H CB 1.395 31.149 29.762 -0.014 0.000 1.456 503 H HN 0.114 nan 8.280 nan 0.000 0.488 504 T N -1.232 113.414 114.554 0.153 0.000 2.896 504 T HA 0.344 4.694 4.350 -0.000 0.000 0.297 504 T C -0.313 174.512 174.700 0.209 0.000 1.108 504 T CA -0.981 61.184 62.100 0.109 0.000 1.004 504 T CB 1.088 70.055 68.868 0.166 0.000 1.159 504 T HN 0.632 nan 8.240 nan 0.000 0.499 505 F N -0.036 119.925 119.950 0.020 0.000 3.090 505 F HA -0.209 4.318 4.527 -0.000 0.000 0.282 505 F C 1.367 177.159 175.800 -0.015 0.000 0.923 505 F CA 0.680 58.679 58.000 -0.001 0.000 0.977 505 F CB -2.120 36.870 39.000 -0.017 0.000 0.954 505 F HN 0.807 nan 8.300 nan 0.000 0.695 506 E N 0.342 120.582 120.200 0.066 0.000 2.153 506 E HA -0.180 4.170 4.350 -0.000 0.000 0.194 506 E C 1.082 177.702 176.600 0.033 0.000 0.988 506 E CA 1.278 57.700 56.400 0.036 0.000 0.811 506 E CB 0.076 29.765 29.700 -0.019 0.000 0.746 506 E HN 0.648 nan 8.360 nan 0.000 0.466 507 E N 1.850 122.068 120.200 0.030 0.000 2.145 507 E HA 0.166 4.516 4.350 -0.000 0.000 0.262 507 E C -2.419 174.241 176.600 0.099 0.000 0.883 507 E CA -2.674 53.751 56.400 0.040 0.000 0.748 507 E CB 1.010 30.717 29.700 0.011 0.000 1.140 507 E HN -0.173 nan 8.360 nan 0.000 0.417 508 P HA -0.054 nan 4.420 nan 0.000 0.268 508 P C 0.083 177.487 177.300 0.174 0.000 1.208 508 P CA -0.128 63.065 63.100 0.155 0.000 0.777 508 P CB 0.577 32.320 31.700 0.072 0.000 0.875 509 T N -0.139 114.546 114.554 0.218 0.000 2.734 509 T HA 0.066 4.416 4.350 -0.000 0.000 0.314 509 T C -0.429 174.367 174.700 0.160 0.000 1.057 509 T CA -0.085 62.137 62.100 0.204 0.000 1.047 509 T CB 0.072 69.064 68.868 0.206 0.000 0.991 509 T HN 0.434 nan 8.240 nan 0.000 0.540 510 Y N 0.565 120.898 120.300 0.055 0.000 2.328 510 Y HA 0.566 5.116 4.550 -0.000 0.000 0.333 510 Y C -1.392 174.524 175.900 0.027 0.000 0.958 510 Y CA -1.116 57.003 58.100 0.031 0.000 1.167 510 Y CB 1.063 39.538 38.460 0.024 0.000 1.151 510 Y HN 0.596 nan 8.280 nan 0.000 0.470 511 V N 6.226 125.855 119.914 -0.475 0.000 2.525 511 V HA 0.285 4.404 4.120 -0.000 0.000 0.299 511 V C -0.725 175.111 176.094 -0.431 0.000 1.034 511 V CA -1.200 60.913 62.300 -0.313 0.000 0.863 511 V CB 1.732 33.473 31.823 -0.138 0.000 0.999 511 V HN 0.824 nan 8.190 nan 0.000 0.423 512 N N 3.685 122.212 118.700 -0.289 0.000 2.470 512 N HA 0.193 4.933 4.740 -0.000 0.000 0.268 512 N C 0.909 176.357 175.510 -0.103 0.000 1.136 512 N CA -0.533 52.406 53.050 -0.185 0.000 0.961 512 N CB 1.115 39.588 38.487 -0.024 0.000 1.067 512 N HN 0.595 nan 8.380 nan 0.000 0.468 513 L N 2.902 124.067 121.223 -0.096 0.000 2.046 513 L HA -0.028 4.312 4.340 -0.000 0.000 0.208 513 L C 0.483 177.336 176.870 -0.029 0.000 1.077 513 L CA 2.029 56.835 54.840 -0.058 0.000 0.747 513 L CB -0.614 41.415 42.059 -0.051 0.000 0.896 513 L HN 0.743 nan 8.230 nan 0.000 0.432 514 K N 0.000 120.389 120.400 -0.018 0.000 2.780 514 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 514 K CA 0.000 56.286 56.287 -0.002 0.000 0.838 514 K CB 0.000 32.501 32.500 0.001 0.000 1.064 514 K HN 0.000 nan 8.250 nan 0.000 0.543