REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2eij_1_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 0.000 175.817 175.800 0.029 0.000 0.967 2 F CA 0.000 58.050 58.000 0.083 0.000 1.383 2 F CB 0.000 39.051 39.000 0.085 0.000 1.145 3 I N 1.500 122.066 120.570 -0.006 0.000 2.226 3 I HA -0.273 3.897 4.170 -0.000 0.000 0.245 3 I C 1.738 177.469 176.117 -0.642 0.000 1.100 3 I CA 1.817 62.937 61.300 -0.301 0.000 1.374 3 I CB -0.531 37.269 38.000 -0.333 0.000 1.057 3 I HN 0.282 nan 8.210 nan 0.000 0.413 4 N N 0.684 119.089 118.700 -0.491 0.000 2.104 4 N HA -0.217 4.523 4.740 -0.000 0.000 0.190 4 N C 1.905 177.236 175.510 -0.298 0.000 1.024 4 N CA 1.326 54.159 53.050 -0.361 0.000 0.853 4 N CB -0.304 38.085 38.487 -0.164 0.000 1.008 4 N HN 0.264 nan 8.380 nan 0.000 0.424 5 R N -1.134 119.115 120.500 -0.418 0.000 2.075 5 R HA -0.031 4.309 4.340 -0.000 0.000 0.226 5 R C 1.136 176.939 176.300 -0.829 0.000 1.114 5 R CA 1.172 56.879 56.100 -0.656 0.000 0.972 5 R CB -0.112 29.668 30.300 -0.868 0.000 0.869 5 R HN 0.291 nan 8.270 nan 0.000 0.437 6 W N -1.069 119.985 121.300 -0.410 0.000 3.107 6 W HA 0.206 4.866 4.660 -0.000 0.000 0.293 6 W C 0.979 177.494 176.519 -0.007 0.000 1.239 6 W CA -0.592 56.564 57.345 -0.314 0.000 1.653 6 W CB 0.499 29.581 29.460 -0.630 0.000 1.068 6 W HN 0.073 nan 8.180 nan 0.000 0.615 7 L N -1.701 119.556 121.223 0.056 0.000 2.577 7 L HA 0.223 4.563 4.340 -0.000 0.000 0.225 7 L C 0.833 177.931 176.870 0.381 0.000 1.053 7 L CA 0.893 55.806 54.840 0.122 0.000 0.866 7 L CB -0.404 41.522 42.059 -0.222 0.000 1.132 7 L HN -0.173 nan 8.230 nan 0.000 0.486 8 F N -1.055 118.896 119.950 0.002 0.000 2.708 8 F HA 0.394 4.921 4.527 -0.000 0.000 0.300 8 F C 1.243 177.037 175.800 -0.009 0.000 1.118 8 F CA -1.143 56.851 58.000 -0.009 0.000 1.307 8 F CB -1.072 37.901 39.000 -0.045 0.000 0.986 8 F HN -0.194 nan 8.300 nan 0.000 0.522 9 S N 1.005 116.802 115.700 0.162 0.000 2.558 9 S HA 0.158 4.628 4.470 -0.000 0.000 0.291 9 S C 1.133 175.752 174.600 0.032 0.000 1.306 9 S CA 0.765 58.975 58.200 0.016 0.000 1.056 9 S CB 0.334 63.480 63.200 -0.091 0.000 0.836 9 S HN 0.498 nan 8.310 nan 0.000 0.504 10 T N 1.223 115.766 114.554 -0.018 0.000 3.337 10 T HA 0.298 4.648 4.350 -0.000 0.000 0.299 10 T C -0.180 174.459 174.700 -0.102 0.000 0.998 10 T CA -0.675 61.414 62.100 -0.019 0.000 0.948 10 T CB -0.457 68.426 68.868 0.024 0.000 1.170 10 T HN 0.549 nan 8.240 nan 0.000 0.508 11 N N 1.377 119.937 118.700 -0.232 0.000 2.392 11 N HA 0.161 4.901 4.740 -0.000 0.000 0.283 11 N C 1.008 176.257 175.510 -0.435 0.000 1.003 11 N CA -0.267 52.506 53.050 -0.461 0.000 0.892 11 N CB 1.484 39.416 38.487 -0.925 0.000 1.193 11 N HN 0.553 nan 8.380 nan 0.000 0.487 12 H N 3.262 122.073 119.070 -0.432 0.000 2.421 12 H HA 0.005 4.561 4.556 -0.000 0.000 0.298 12 H C 0.998 175.958 175.328 -0.613 0.000 1.087 12 H CA 1.414 57.218 56.048 -0.408 0.000 1.330 12 H CB 0.330 29.898 29.762 -0.324 0.000 1.388 12 H HN 0.503 nan 8.280 nan 0.000 0.526 13 K N 0.250 119.749 120.400 -1.502 0.000 2.044 13 K HA -0.073 4.247 4.320 -0.000 0.000 0.204 13 K C 1.620 177.499 176.600 -1.202 0.000 1.049 13 K CA 1.256 56.402 56.287 -1.902 0.000 0.945 13 K CB 0.102 31.430 32.500 -1.953 0.000 0.724 13 K HN 0.244 nan 8.250 nan 0.000 0.440 14 D N 1.184 121.124 120.400 -0.767 0.000 2.117 14 D HA -0.107 4.533 4.640 -0.000 0.000 0.197 14 D C 1.856 178.010 176.300 -0.244 0.000 0.987 14 D CA 1.000 54.767 54.000 -0.388 0.000 0.829 14 D CB -0.144 40.294 40.800 -0.605 0.000 0.961 14 D HN 0.134 nan 8.370 nan 0.000 0.460 15 I N 0.630 121.002 120.570 -0.330 0.000 2.315 15 I HA -0.140 4.030 4.170 -0.000 0.000 0.248 15 I C 2.481 178.535 176.117 -0.105 0.000 1.117 15 I CA 1.200 62.353 61.300 -0.245 0.000 1.404 15 I CB -0.389 37.537 38.000 -0.124 0.000 1.071 15 I HN 0.024 nan 8.210 nan 0.000 0.419 16 G N 0.085 108.777 108.800 -0.181 0.000 2.422 16 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.218 16 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.218 16 G C 1.659 176.617 174.900 0.097 0.000 1.146 16 G CA 1.390 46.469 45.100 -0.034 0.000 0.769 16 G HN 0.273 nan 8.290 nan 0.000 0.547 17 T N 1.257 115.838 114.554 0.044 0.000 2.777 17 T HA -0.006 4.344 4.350 -0.000 0.000 0.266 17 T C 2.425 177.140 174.700 0.026 0.000 1.040 17 T CA 0.771 62.973 62.100 0.170 0.000 1.141 17 T CB -0.181 68.842 68.868 0.258 0.000 0.868 17 T HN 0.153 nan 8.240 nan 0.000 0.444 18 L N -0.549 120.568 121.223 -0.177 0.000 2.046 18 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 18 L C 2.382 179.071 176.870 -0.303 0.000 1.077 18 L CA 1.549 56.068 54.840 -0.535 0.000 0.747 18 L CB -0.595 40.605 42.059 -1.431 0.000 0.896 18 L HN 0.267 nan 8.230 nan 0.000 0.432 19 Y N 0.050 120.241 120.300 -0.181 0.000 2.181 19 Y HA -0.235 4.315 4.550 -0.000 0.000 0.288 19 Y C 2.434 178.480 175.900 0.242 0.000 1.146 19 Y CA 1.395 59.609 58.100 0.190 0.000 1.164 19 Y CB -0.344 38.206 38.460 0.149 0.000 0.982 19 Y HN 0.045 nan 8.280 nan 0.000 0.515 20 L N -0.998 120.404 121.223 0.298 0.000 2.083 20 L HA -0.243 4.097 4.340 -0.000 0.000 0.209 20 L C 2.243 179.268 176.870 0.259 0.000 1.083 20 L CA 1.052 56.029 54.840 0.228 0.000 0.752 20 L CB -0.675 41.474 42.059 0.150 0.000 0.899 20 L HN 0.253 nan 8.230 nan 0.000 0.433 21 L N -1.300 120.062 121.223 0.232 0.000 2.017 21 L HA -0.247 4.093 4.340 -0.000 0.000 0.208 21 L C 2.576 179.627 176.870 0.300 0.000 1.073 21 L CA 1.393 56.361 54.840 0.213 0.000 0.745 21 L CB -0.570 41.555 42.059 0.109 0.000 0.894 21 L HN 0.164 nan 8.230 nan 0.000 0.432 22 F N 0.929 121.016 119.950 0.229 0.000 2.069 22 F HA -0.180 4.347 4.527 -0.000 0.000 0.298 22 F C 2.272 178.299 175.800 0.379 0.000 1.113 22 F CA 1.778 59.959 58.000 0.302 0.000 1.214 22 F CB -0.645 38.562 39.000 0.345 0.000 0.978 22 F HN -0.002 nan 8.300 nan 0.000 0.474 23 G N -0.416 108.707 108.800 0.538 0.000 2.442 23 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.219 23 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.219 23 G C 1.776 176.812 174.900 0.226 0.000 1.141 23 G CA 0.856 46.186 45.100 0.383 0.000 0.763 23 G HN 0.641 nan 8.290 nan 0.000 0.554 24 A N -0.188 122.755 122.820 0.207 0.000 1.898 24 A HA -0.035 4.285 4.320 -0.000 0.000 0.216 24 A C 2.154 179.827 177.584 0.148 0.000 1.181 24 A CA 1.542 53.656 52.037 0.128 0.000 0.620 24 A CB -0.711 18.353 19.000 0.107 0.000 0.819 24 A HN 0.535 nan 8.150 nan 0.000 0.442 25 W N 0.568 121.868 121.300 0.001 0.000 2.358 25 W HA -0.103 4.557 4.660 -0.000 0.000 0.303 25 W C 2.502 179.019 176.519 -0.002 0.000 1.208 25 W CA 2.176 59.504 57.345 -0.028 0.000 1.274 25 W CB -0.148 29.266 29.460 -0.077 0.000 1.138 25 W HN 0.354 nan 8.180 nan 0.000 0.515 26 A N 0.364 123.327 122.820 0.239 0.000 1.933 26 A HA -0.074 4.246 4.320 -0.000 0.000 0.218 26 A C 2.210 179.842 177.584 0.080 0.000 1.175 26 A CA 1.958 54.128 52.037 0.222 0.000 0.628 26 A CB -1.674 17.419 19.000 0.155 0.000 0.814 26 A HN 0.404 nan 8.150 nan 0.000 0.444 27 G N -0.852 107.983 108.800 0.059 0.000 2.442 27 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.219 27 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.219 27 G C 1.471 176.360 174.900 -0.019 0.000 1.141 27 G CA 1.343 46.462 45.100 0.033 0.000 0.763 27 G HN 0.348 nan 8.290 nan 0.000 0.554 28 M N 0.423 119.957 119.600 -0.109 0.000 2.099 28 M HA 0.001 4.481 4.480 -0.000 0.000 0.262 28 M C 2.800 178.984 176.300 -0.193 0.000 1.067 28 M CA 0.700 55.892 55.300 -0.179 0.000 1.124 28 M CB -1.275 31.141 32.600 -0.306 0.000 1.353 28 M HN 0.113 nan 8.290 nan 0.000 0.410 29 V N 0.400 120.154 119.914 -0.267 0.000 2.287 29 V HA -0.203 3.917 4.120 -0.000 0.000 0.248 29 V C 2.644 178.750 176.094 0.020 0.000 1.053 29 V CA 2.159 64.361 62.300 -0.164 0.000 1.027 29 V CB -1.774 30.007 31.823 -0.071 0.000 0.646 29 V HN 0.572 nan 8.190 nan 0.000 0.447 30 G N -0.796 108.049 108.800 0.075 0.000 2.422 30 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.218 30 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.218 30 G C 1.680 176.703 174.900 0.204 0.000 1.146 30 G CA 1.493 46.686 45.100 0.154 0.000 0.769 30 G HN 0.484 nan 8.290 nan 0.000 0.547 31 T N 1.506 116.121 114.554 0.102 0.000 2.812 31 T HA 0.100 4.450 4.350 -0.000 0.000 0.264 31 T C 2.847 177.570 174.700 0.038 0.000 1.042 31 T CA 1.302 63.452 62.100 0.083 0.000 1.140 31 T CB -0.325 68.562 68.868 0.033 0.000 0.870 31 T HN 0.349 nan 8.240 nan 0.000 0.445 32 A N 1.328 124.148 122.820 -0.000 0.000 1.908 32 A HA -0.010 4.310 4.320 -0.000 0.000 0.218 32 A C 2.292 179.884 177.584 0.012 0.000 1.181 32 A CA 1.249 53.273 52.037 -0.021 0.000 0.627 32 A CB -0.912 18.058 19.000 -0.050 0.000 0.818 32 A HN 0.463 nan 8.150 nan 0.000 0.445 33 L N 0.300 121.556 121.223 0.055 0.000 2.046 33 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 33 L C 3.053 179.911 176.870 -0.020 0.000 1.077 33 L CA 1.674 56.553 54.840 0.064 0.000 0.747 33 L CB -0.459 41.696 42.059 0.160 0.000 0.896 33 L HN 0.632 nan 8.230 nan 0.000 0.432 34 S N -0.164 115.505 115.700 -0.052 0.000 2.402 34 S HA -0.133 4.337 4.470 -0.000 0.000 0.229 34 S C 1.925 176.478 174.600 -0.078 0.000 1.021 34 S CA 0.852 58.907 58.200 -0.241 0.000 0.974 34 S CB -0.505 62.603 63.200 -0.154 0.000 0.800 34 S HN 0.375 nan 8.310 nan 0.000 0.484 35 L N 0.326 121.541 121.223 -0.014 0.000 2.156 35 L HA 0.119 4.459 4.340 -0.000 0.000 0.208 35 L C 2.566 179.481 176.870 0.075 0.000 1.095 35 L CA 0.734 55.593 54.840 0.033 0.000 0.770 35 L CB -0.462 41.582 42.059 -0.025 0.000 0.914 35 L HN 0.299 nan 8.230 nan 0.000 0.439 36 L N -0.492 120.761 121.223 0.050 0.000 2.083 36 L HA -0.225 4.115 4.340 -0.000 0.000 0.209 36 L C 2.417 179.360 176.870 0.121 0.000 1.083 36 L CA 1.261 56.150 54.840 0.081 0.000 0.752 36 L CB -0.281 41.814 42.059 0.059 0.000 0.899 36 L HN 0.201 nan 8.230 nan 0.000 0.433 37 I N -0.750 119.864 120.570 0.073 0.000 2.113 37 I HA -0.289 3.881 4.170 -0.000 0.000 0.238 37 I C 2.634 178.878 176.117 0.212 0.000 1.070 37 I CA 1.225 62.616 61.300 0.153 0.000 1.332 37 I CB -0.336 37.658 38.000 -0.009 0.000 1.044 37 I HN 0.226 nan 8.210 nan 0.000 0.402 38 R N 0.716 121.283 120.500 0.111 0.000 2.189 38 R HA -0.046 4.294 4.340 -0.000 0.000 0.223 38 R C 2.208 178.572 176.300 0.107 0.000 1.092 38 R CA 1.215 57.370 56.100 0.092 0.000 0.989 38 R CB -0.463 29.862 30.300 0.042 0.000 0.876 38 R HN 0.390 nan 8.270 nan 0.000 0.457 39 A N 1.163 124.067 122.820 0.140 0.000 1.897 39 A HA -0.178 4.142 4.320 -0.000 0.000 0.215 39 A C 2.080 179.721 177.584 0.095 0.000 1.181 39 A CA 1.428 53.539 52.037 0.123 0.000 0.620 39 A CB -0.272 18.820 19.000 0.153 0.000 0.821 39 A HN 0.215 nan 8.150 nan 0.000 0.443 40 E N 0.234 120.514 120.200 0.132 0.000 2.153 40 E HA -0.097 4.253 4.350 -0.000 0.000 0.194 40 E C 1.454 178.080 176.600 0.044 0.000 0.988 40 E CA 1.179 57.633 56.400 0.090 0.000 0.811 40 E CB -0.319 29.477 29.700 0.161 0.000 0.746 40 E HN 0.585 nan 8.360 nan 0.000 0.466 41 L N -0.947 120.340 121.223 0.106 0.000 2.607 41 L HA 0.309 4.649 4.340 -0.000 0.000 0.228 41 L C 2.033 179.007 176.870 0.174 0.000 1.123 41 L CA 0.280 55.223 54.840 0.173 0.000 0.890 41 L CB 0.139 42.307 42.059 0.182 0.000 1.103 41 L HN 0.216 nan 8.230 nan 0.000 0.468 42 G N 0.643 109.491 108.800 0.079 0.000 2.448 42 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.219 42 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.219 42 G C 0.565 175.492 174.900 0.044 0.000 1.127 42 G CA 0.409 45.525 45.100 0.026 0.000 0.766 42 G HN 0.533 nan 8.290 nan 0.000 0.552 43 Q N -1.084 118.756 119.800 0.066 0.000 2.435 43 Q HA 0.528 4.868 4.340 -0.000 0.000 0.282 43 Q C -3.313 172.687 176.000 -0.001 0.000 1.020 43 Q CA -2.176 53.660 55.803 0.055 0.000 0.820 43 Q CB 1.659 30.395 28.738 -0.004 0.000 1.436 43 Q HN -0.130 nan 8.270 nan 0.000 0.395 44 P HA 0.350 nan 4.420 nan 0.000 0.267 44 P C 0.041 177.223 177.300 -0.196 0.000 1.200 44 P CA 1.562 64.516 63.100 -0.242 0.000 0.772 44 P CB 0.561 32.193 31.700 -0.114 0.000 0.855 45 G N 0.388 109.036 108.800 -0.254 0.000 2.466 45 G HA2 0.014 3.974 3.960 -0.000 0.000 0.316 45 G HA3 0.014 3.974 3.960 -0.000 0.000 0.316 45 G C -0.934 173.868 174.900 -0.163 0.000 1.270 45 G CA -0.356 44.644 45.100 -0.167 0.000 0.982 45 G HN 0.683 nan 8.290 nan 0.000 0.506 46 T N -0.553 113.934 114.554 -0.111 0.000 2.855 46 T HA 0.599 4.949 4.350 -0.000 0.000 0.281 46 T C 0.964 175.632 174.700 -0.052 0.000 1.007 46 T CA 0.440 62.485 62.100 -0.092 0.000 1.009 46 T CB 1.410 70.233 68.868 -0.075 0.000 0.983 46 T HN 1.461 nan 8.240 nan 0.000 0.455 47 L N 4.780 125.984 121.223 -0.030 0.000 2.435 47 L HA 0.501 4.841 4.340 -0.000 0.000 0.195 47 L C 1.817 178.698 176.870 0.019 0.000 1.072 47 L CA 1.027 55.867 54.840 0.001 0.000 0.833 47 L CB -0.397 41.675 42.059 0.022 0.000 1.081 47 L HN 0.732 nan 8.230 nan 0.000 0.485 48 L N 0.125 121.371 121.223 0.037 0.000 2.313 48 L HA 0.187 4.527 4.340 -0.000 0.000 0.214 48 L C 1.589 178.479 176.870 0.035 0.000 1.119 48 L CA 0.731 55.603 54.840 0.054 0.000 0.809 48 L CB -0.954 41.163 42.059 0.098 0.000 0.933 48 L HN 0.580 nan 8.230 nan 0.000 0.449 49 G N 0.472 109.280 108.800 0.013 0.000 2.203 49 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.263 49 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.263 49 G C -0.023 174.885 174.900 0.013 0.000 1.012 49 G CA 0.698 45.799 45.100 0.002 0.000 0.749 49 G HN 0.444 nan 8.290 nan 0.000 0.512 50 D N -0.617 119.803 120.400 0.033 0.000 2.319 50 D HA 0.350 4.990 4.640 -0.000 0.000 0.237 50 D C 0.494 176.842 176.300 0.081 0.000 1.353 50 D CA -0.563 53.465 54.000 0.046 0.000 0.992 50 D CB 0.589 41.421 40.800 0.053 0.000 1.368 50 D HN -0.078 nan 8.370 nan 0.000 0.564 51 D N 1.514 121.952 120.400 0.063 0.000 2.310 51 D HA -0.142 4.498 4.640 -0.000 0.000 0.212 51 D C 1.657 178.051 176.300 0.158 0.000 0.965 51 D CA 0.810 54.874 54.000 0.106 0.000 0.879 51 D CB 0.377 41.197 40.800 0.033 0.000 0.921 51 D HN 0.405 nan 8.370 nan 0.000 0.510 52 Q N 0.430 120.295 119.800 0.109 0.000 2.123 52 Q HA -0.024 4.316 4.340 -0.000 0.000 0.199 52 Q C 1.914 177.993 176.000 0.132 0.000 0.966 52 Q CA 1.043 56.913 55.803 0.112 0.000 0.845 52 Q CB -0.256 28.521 28.738 0.066 0.000 0.907 52 Q HN 0.300 nan 8.270 nan 0.000 0.439 53 I N -0.231 120.414 120.570 0.125 0.000 2.226 53 I HA -0.268 3.902 4.170 -0.000 0.000 0.245 53 I C 2.033 178.232 176.117 0.136 0.000 1.100 53 I CA 1.400 62.771 61.300 0.119 0.000 1.374 53 I CB -0.416 37.647 38.000 0.106 0.000 1.057 53 I HN 0.300 nan 8.210 nan 0.000 0.413 54 Y N 2.384 122.726 120.300 0.069 0.000 2.128 54 Y HA -0.323 4.227 4.550 -0.000 0.000 0.284 54 Y C 2.391 178.348 175.900 0.095 0.000 1.154 54 Y CA 1.924 60.070 58.100 0.077 0.000 1.149 54 Y CB -0.273 38.228 38.460 0.068 0.000 0.976 54 Y HN 0.197 nan 8.280 nan 0.000 0.505 55 N N -0.107 118.669 118.700 0.126 0.000 2.166 55 N HA -0.171 4.569 4.740 -0.000 0.000 0.186 55 N C 1.905 177.425 175.510 0.018 0.000 1.019 55 N CA 1.616 54.706 53.050 0.066 0.000 0.856 55 N CB -0.664 37.918 38.487 0.159 0.000 0.993 55 N HN 0.323 nan 8.380 nan 0.000 0.426 56 V N 0.409 120.359 119.914 0.059 0.000 2.427 56 V HA -0.127 3.993 4.120 -0.000 0.000 0.248 56 V C 2.342 178.465 176.094 0.049 0.000 1.051 56 V CA 0.975 63.323 62.300 0.079 0.000 1.048 56 V CB -0.378 31.510 31.823 0.108 0.000 0.666 56 V HN 0.070 nan 8.190 nan 0.000 0.456 57 V N -0.373 119.531 119.914 -0.016 0.000 2.307 57 V HA -0.204 3.916 4.120 -0.000 0.000 0.245 57 V C 2.422 178.487 176.094 -0.048 0.000 1.045 57 V CA 1.862 64.143 62.300 -0.031 0.000 1.024 57 V CB -0.243 31.532 31.823 -0.080 0.000 0.651 57 V HN 0.401 nan 8.190 nan 0.000 0.449 58 V N -0.130 119.673 119.914 -0.186 0.000 2.343 58 V HA -0.283 3.837 4.120 -0.000 0.000 0.247 58 V C 2.561 178.670 176.094 0.025 0.000 1.051 58 V CA 2.664 64.903 62.300 -0.101 0.000 1.036 58 V CB -1.027 30.687 31.823 -0.182 0.000 0.654 58 V HN 0.623 nan 8.190 nan 0.000 0.451 59 T N 0.494 115.046 114.554 -0.003 0.000 2.674 59 T HA -0.187 4.163 4.350 -0.000 0.000 0.265 59 T C 2.072 176.769 174.700 -0.005 0.000 1.039 59 T CA 1.776 63.854 62.100 -0.037 0.000 1.150 59 T CB -0.506 68.376 68.868 0.024 0.000 0.864 59 T HN 0.573 nan 8.240 nan 0.000 0.427 60 A N 1.212 124.122 122.820 0.150 0.000 1.933 60 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 60 A C 2.000 179.710 177.584 0.211 0.000 1.175 60 A CA 2.339 54.533 52.037 0.262 0.000 0.628 60 A CB -1.023 18.128 19.000 0.251 0.000 0.814 60 A HN 0.725 nan 8.150 nan 0.000 0.444 61 H N 0.332 119.441 119.070 0.065 0.000 2.289 61 H HA -0.085 4.471 4.556 -0.000 0.000 0.296 61 H C 2.102 177.428 175.328 -0.004 0.000 1.091 61 H CA 2.469 58.544 56.048 0.046 0.000 1.274 61 H CB -0.430 29.351 29.762 0.031 0.000 1.364 61 H HN 0.366 nan 8.280 nan 0.000 0.490 62 A N 0.019 122.662 122.820 -0.295 0.000 1.877 62 A HA -0.098 4.222 4.320 -0.000 0.000 0.216 62 A C 2.264 179.631 177.584 -0.362 0.000 1.186 62 A CA 1.517 53.231 52.037 -0.538 0.000 0.620 62 A CB -1.106 17.524 19.000 -0.618 0.000 0.822 62 A HN 0.452 nan 8.150 nan 0.000 0.443 63 F N 0.043 119.968 119.950 -0.041 0.000 2.095 63 F HA -0.148 4.379 4.527 -0.000 0.000 0.298 63 F C 2.555 178.320 175.800 -0.057 0.000 1.104 63 F CA 1.129 59.173 58.000 0.073 0.000 1.232 63 F CB -1.031 38.021 39.000 0.087 0.000 0.987 63 F HN 0.022 nan 8.300 nan 0.000 0.475 64 V N -0.328 119.694 119.914 0.179 0.000 2.295 64 V HA -0.326 3.794 4.120 -0.000 0.000 0.246 64 V C 2.525 178.617 176.094 -0.004 0.000 1.049 64 V CA 1.587 63.964 62.300 0.129 0.000 1.024 64 V CB -0.547 31.396 31.823 0.201 0.000 0.648 64 V HN 0.216 nan 8.190 nan 0.000 0.447 65 M N -0.987 118.536 119.600 -0.127 0.000 2.117 65 M HA -0.108 4.372 4.480 -0.000 0.000 0.262 65 M C 2.125 178.297 176.300 -0.213 0.000 1.065 65 M CA 1.929 57.122 55.300 -0.178 0.000 1.114 65 M CB -0.963 31.440 32.600 -0.329 0.000 1.361 65 M HN 0.287 nan 8.290 nan 0.000 0.408 66 I N -1.187 119.190 120.570 -0.322 0.000 2.206 66 I HA -0.244 3.926 4.170 -0.000 0.000 0.239 66 I C 2.023 177.848 176.117 -0.488 0.000 1.078 66 I CA 1.247 62.258 61.300 -0.482 0.000 1.367 66 I CB -0.349 37.205 38.000 -0.744 0.000 1.078 66 I HN 0.054 nan 8.210 nan 0.000 0.413 67 F N -0.561 119.198 119.950 -0.318 0.000 2.416 67 F HA -0.015 4.512 4.527 -0.000 0.000 0.296 67 F C 1.727 177.271 175.800 -0.427 0.000 1.099 67 F CA 0.825 58.549 58.000 -0.460 0.000 1.427 67 F CB -0.111 38.422 39.000 -0.778 0.000 1.079 67 F HN -0.045 nan 8.300 nan 0.000 0.536 68 F N -2.314 117.727 119.950 0.152 0.000 2.694 68 F HA 0.188 4.715 4.527 -0.000 0.000 0.292 68 F C 1.913 177.828 175.800 0.192 0.000 1.121 68 F CA 0.049 58.148 58.000 0.165 0.000 1.352 68 F CB -0.294 38.517 39.000 -0.314 0.000 1.107 68 F HN -0.104 nan 8.300 nan 0.000 0.597 69 M N -0.463 119.265 119.600 0.214 0.000 2.969 69 M HA 0.089 4.569 4.480 -0.000 0.000 0.234 69 M C 2.037 178.426 176.300 0.148 0.000 1.409 69 M CA 1.163 56.569 55.300 0.177 0.000 1.314 69 M CB -0.506 32.149 32.600 0.093 0.000 1.130 69 M HN -0.084 nan 8.290 nan 0.000 0.558 70 V N 1.772 121.713 119.914 0.045 0.000 2.233 70 V HA -0.326 3.794 4.120 -0.000 0.000 0.247 70 V C 2.586 178.710 176.094 0.049 0.000 1.050 70 V CA 2.217 64.533 62.300 0.026 0.000 1.010 70 V CB -0.805 30.974 31.823 -0.072 0.000 0.637 70 V HN 0.509 nan 8.190 nan 0.000 0.444 71 M N -0.596 119.005 119.600 0.001 0.000 2.086 71 M HA -0.114 4.366 4.480 -0.000 0.000 0.261 71 M C -0.032 176.332 176.300 0.106 0.000 1.067 71 M CA 2.300 57.611 55.300 0.018 0.000 1.116 71 M CB -1.524 31.061 32.600 -0.025 0.000 1.348 71 M HN 0.284 nan 8.290 nan 0.000 0.407 72 P HA -0.109 nan 4.420 nan 0.000 0.216 72 P C 1.402 178.855 177.300 0.256 0.000 1.153 72 P CA 1.302 64.615 63.100 0.356 0.000 0.848 72 P CB -0.099 31.978 31.700 0.628 0.000 0.787 73 I N -1.976 118.751 120.570 0.261 0.000 2.163 73 I HA -0.234 3.936 4.170 -0.000 0.000 0.240 73 I C 2.427 178.704 176.117 0.267 0.000 1.081 73 I CA 1.663 63.104 61.300 0.235 0.000 1.353 73 I CB -0.510 37.644 38.000 0.258 0.000 1.054 73 I HN -0.078 nan 8.210 nan 0.000 0.407 74 M N 0.143 119.911 119.600 0.280 0.000 2.077 74 M HA -0.176 4.304 4.480 -0.000 0.000 0.261 74 M C 2.286 178.712 176.300 0.209 0.000 1.070 74 M CA 2.104 57.598 55.300 0.324 0.000 1.125 74 M CB -0.241 32.469 32.600 0.183 0.000 1.339 74 M HN 0.169 nan 8.290 nan 0.000 0.409 75 I N -1.162 119.423 120.570 0.026 0.000 2.385 75 I HA -0.008 4.162 4.170 -0.000 0.000 0.244 75 I C 2.605 178.633 176.117 -0.148 0.000 1.089 75 I CA 1.092 62.310 61.300 -0.138 0.000 1.410 75 I CB -0.937 36.970 38.000 -0.156 0.000 1.117 75 I HN 0.287 nan 8.210 nan 0.000 0.429 76 G N 0.531 109.111 108.800 -0.365 0.000 2.402 76 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.216 76 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.216 76 G C 1.589 176.158 174.900 -0.551 0.000 1.162 76 G CA 0.863 45.286 45.100 -1.128 0.000 0.777 76 G HN 0.478 nan 8.290 nan 0.000 0.539 77 G N 0.365 109.076 108.800 -0.148 0.000 2.624 77 G HA2 0.056 4.016 3.960 -0.000 0.000 0.216 77 G HA3 0.056 4.016 3.960 -0.000 0.000 0.216 77 G C 1.531 176.433 174.900 0.002 0.000 1.274 77 G CA 0.401 45.494 45.100 -0.012 0.000 0.856 77 G HN 0.294 nan 8.290 nan 0.000 0.555 78 F N 1.772 121.801 119.950 0.131 0.000 2.171 78 F HA 0.009 4.536 4.527 -0.000 0.000 0.300 78 F C 2.924 178.833 175.800 0.180 0.000 1.090 78 F CA 0.867 58.914 58.000 0.078 0.000 1.293 78 F CB -0.223 38.772 39.000 -0.010 0.000 1.013 78 F HN 0.242 nan 8.300 nan 0.000 0.486 79 G N -0.139 108.892 108.800 0.385 0.000 2.433 79 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.216 79 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.216 79 G C 1.363 176.557 174.900 0.490 0.000 1.186 79 G CA 1.191 46.471 45.100 0.300 0.000 0.779 79 G HN 0.323 nan 8.290 nan 0.000 0.543 80 N N -0.710 118.234 118.700 0.407 0.000 2.166 80 N HA -0.106 4.634 4.740 -0.000 0.000 0.186 80 N C 1.874 177.512 175.510 0.214 0.000 1.019 80 N CA 1.072 54.264 53.050 0.237 0.000 0.856 80 N CB -0.172 38.356 38.487 0.068 0.000 0.993 80 N HN 0.569 nan 8.380 nan 0.000 0.426 81 W N 0.932 122.235 121.300 0.004 0.000 2.378 81 W HA 0.016 4.676 4.660 -0.000 0.000 0.313 81 W C 1.698 178.237 176.519 0.033 0.000 1.197 81 W CA 0.741 58.014 57.345 -0.121 0.000 1.304 81 W CB -0.135 28.992 29.460 -0.556 0.000 1.148 81 W HN 0.024 nan 8.180 nan 0.000 0.494 82 L N -1.504 119.903 121.223 0.306 0.000 2.202 82 L HA -0.101 4.239 4.340 -0.000 0.000 0.205 82 L C 2.087 179.073 176.870 0.194 0.000 1.083 82 L CA 0.267 55.196 54.840 0.148 0.000 0.790 82 L CB -1.341 40.600 42.059 -0.198 0.000 0.942 82 L HN -0.203 nan 8.230 nan 0.000 0.452 83 V N 0.843 120.913 119.914 0.261 0.000 2.255 83 V HA -0.183 3.937 4.120 -0.000 0.000 0.247 83 V C -0.104 175.997 176.094 0.012 0.000 1.051 83 V CA 2.257 64.659 62.300 0.170 0.000 1.018 83 V CB -1.535 30.435 31.823 0.245 0.000 0.641 83 V HN 0.317 nan 8.190 nan 0.000 0.445 84 P HA -0.112 nan 4.420 nan 0.000 0.217 84 P C 1.903 179.095 177.300 -0.181 0.000 1.150 84 P CA 1.358 64.273 63.100 -0.307 0.000 0.832 84 P CB -0.059 31.147 31.700 -0.823 0.000 0.787 85 L N -1.934 119.302 121.223 0.021 0.000 2.046 85 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 85 L C 2.441 179.374 176.870 0.105 0.000 1.077 85 L CA 1.514 56.482 54.840 0.213 0.000 0.747 85 L CB -0.874 41.374 42.059 0.316 0.000 0.896 85 L HN -0.018 nan 8.230 nan 0.000 0.432 86 M N -0.132 119.523 119.600 0.091 0.000 2.460 86 M HA -0.095 4.385 4.480 -0.000 0.000 0.263 86 M C 1.748 178.058 176.300 0.016 0.000 1.071 86 M CA 1.395 56.765 55.300 0.117 0.000 1.096 86 M CB -0.049 32.669 32.600 0.196 0.000 1.408 86 M HN 0.371 nan 8.290 nan 0.000 0.463 87 I N -4.611 115.891 120.570 -0.113 0.000 4.081 87 I HA 0.474 4.644 4.170 -0.000 0.000 0.333 87 I C 0.916 176.812 176.117 -0.367 0.000 1.413 87 I CA 0.039 61.233 61.300 -0.177 0.000 1.110 87 I CB -0.023 37.883 38.000 -0.157 0.000 1.082 87 I HN 0.288 nan 8.210 nan 0.000 0.402 88 G N 2.041 110.425 108.800 -0.693 0.000 2.198 88 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.260 88 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.260 88 G C 0.327 174.612 174.900 -1.026 0.000 1.025 88 G CA 0.173 44.353 45.100 -1.532 0.000 0.769 88 G HN 0.940 nan 8.290 nan 0.000 0.507 89 A N 0.313 122.783 122.820 -0.583 0.000 2.316 89 A HA 0.805 5.125 4.320 -0.000 0.000 0.284 89 A C -0.039 177.457 177.584 -0.147 0.000 1.115 89 A CA -0.773 51.081 52.037 -0.304 0.000 0.812 89 A CB 0.975 19.810 19.000 -0.275 0.000 1.064 89 A HN 0.129 nan 8.150 nan 0.000 0.489 90 P HA -0.019 nan 4.420 nan 0.000 0.223 90 P C 0.084 177.385 177.300 0.002 0.000 1.151 90 P CA 1.137 64.272 63.100 0.057 0.000 0.787 90 P CB 0.375 32.097 31.700 0.036 0.000 0.788 91 D N -2.861 117.449 120.400 -0.150 0.000 3.038 91 D HA 0.109 4.749 4.640 -0.000 0.000 0.351 91 D C -0.642 175.479 176.300 -0.299 0.000 1.442 91 D CA -0.499 53.369 54.000 -0.221 0.000 0.802 91 D CB 0.323 41.089 40.800 -0.057 0.000 1.406 91 D HN -0.327 nan 8.370 nan 0.000 0.488 92 M N 1.016 120.451 119.600 -0.274 0.000 2.227 92 M HA 0.342 4.822 4.480 -0.000 0.000 0.316 92 M C 1.331 177.428 176.300 -0.339 0.000 1.144 92 M CA 0.066 55.166 55.300 -0.333 0.000 1.121 92 M CB 0.463 32.859 32.600 -0.341 0.000 1.440 92 M HN 0.612 nan 8.290 nan 0.000 0.473 93 A N 1.319 123.834 122.820 -0.508 0.000 1.933 93 A HA -0.067 4.253 4.320 -0.000 0.000 0.218 93 A C 0.470 177.644 177.584 -0.683 0.000 1.175 93 A CA 1.599 53.194 52.037 -0.736 0.000 0.628 93 A CB -0.280 17.996 19.000 -1.207 0.000 0.814 93 A HN 0.580 nan 8.150 nan 0.000 0.444 94 F N -0.514 119.374 119.950 -0.103 0.000 2.449 94 F HA 0.339 4.866 4.527 -0.000 0.000 0.344 94 F C -1.838 173.918 175.800 -0.074 0.000 1.180 94 F CA -3.024 54.932 58.000 -0.074 0.000 1.209 94 F CB 0.914 39.876 39.000 -0.064 0.000 1.440 94 F HN 0.063 nan 8.300 nan 0.000 0.526 95 P HA -0.184 nan 4.420 nan 0.000 0.221 95 P C 1.648 178.971 177.300 0.038 0.000 1.145 95 P CA 1.256 64.360 63.100 0.005 0.000 0.795 95 P CB 0.464 32.154 31.700 -0.018 0.000 0.775 96 R N -0.497 120.042 120.500 0.065 0.000 2.090 96 R HA 0.126 4.466 4.340 -0.000 0.000 0.219 96 R C 2.507 178.851 176.300 0.073 0.000 1.100 96 R CA 0.607 56.742 56.100 0.058 0.000 0.991 96 R CB -0.640 29.682 30.300 0.036 0.000 0.893 96 R HN 0.016 nan 8.270 nan 0.000 0.443 97 M N 0.914 120.564 119.600 0.083 0.000 2.213 97 M HA -0.187 4.293 4.480 -0.000 0.000 0.263 97 M C 1.821 178.181 176.300 0.100 0.000 1.062 97 M CA 1.756 57.102 55.300 0.076 0.000 1.105 97 M CB -0.314 32.321 32.600 0.058 0.000 1.385 97 M HN 0.301 nan 8.290 nan 0.000 0.417 98 N N 0.133 118.891 118.700 0.097 0.000 2.149 98 N HA -0.251 4.489 4.740 -0.000 0.000 0.188 98 N C 1.452 177.046 175.510 0.140 0.000 1.019 98 N CA 1.570 54.673 53.050 0.088 0.000 0.857 98 N CB -0.127 38.368 38.487 0.013 0.000 0.997 98 N HN 0.404 nan 8.380 nan 0.000 0.426 99 N N 0.758 119.538 118.700 0.134 0.000 2.244 99 N HA -0.107 4.633 4.740 -0.000 0.000 0.183 99 N C 1.732 177.402 175.510 0.265 0.000 1.016 99 N CA 0.796 53.965 53.050 0.199 0.000 0.866 99 N CB -0.133 38.492 38.487 0.229 0.000 0.980 99 N HN 0.324 nan 8.380 nan 0.000 0.430 100 M N -0.747 118.971 119.600 0.196 0.000 2.254 100 M HA -0.033 4.447 4.480 -0.000 0.000 0.265 100 M C 1.757 178.129 176.300 0.119 0.000 1.066 100 M CA 0.946 56.351 55.300 0.175 0.000 1.123 100 M CB 0.006 32.670 32.600 0.106 0.000 1.388 100 M HN 0.023 nan 8.290 nan 0.000 0.425 101 S N 0.350 116.126 115.700 0.127 0.000 2.383 101 S HA -0.171 4.299 4.470 -0.000 0.000 0.229 101 S C 1.455 176.079 174.600 0.040 0.000 1.030 101 S CA 1.538 59.821 58.200 0.138 0.000 1.002 101 S CB -0.489 62.852 63.200 0.235 0.000 0.829 101 S HN 0.623 nan 8.310 nan 0.000 0.467 102 F N 0.645 120.490 119.950 -0.174 0.000 2.084 102 F HA -0.028 4.499 4.527 -0.000 0.000 0.296 102 F C 1.651 177.092 175.800 -0.598 0.000 1.111 102 F CA 1.127 58.705 58.000 -0.704 0.000 1.224 102 F CB -0.646 37.741 39.000 -1.022 0.000 0.991 102 F HN 0.229 nan 8.300 nan 0.000 0.471 103 W N 0.582 121.675 121.300 -0.345 0.000 2.538 103 W HA -0.065 4.595 4.660 -0.000 0.000 0.254 103 W C 1.941 178.274 176.519 -0.310 0.000 1.249 103 W CA 0.361 57.506 57.345 -0.333 0.000 1.253 103 W CB -0.374 29.065 29.460 -0.035 0.000 1.130 103 W HN 0.074 nan 8.180 nan 0.000 0.618 104 L N -0.405 120.751 121.223 -0.112 0.000 2.313 104 L HA -0.117 4.223 4.340 -0.000 0.000 0.214 104 L C 2.111 178.905 176.870 -0.127 0.000 1.119 104 L CA 0.553 55.359 54.840 -0.056 0.000 0.809 104 L CB -0.416 41.640 42.059 -0.005 0.000 0.933 104 L HN 0.074 nan 8.230 nan 0.000 0.449 105 L N -0.210 120.781 121.223 -0.387 0.000 2.027 105 L HA -0.112 4.228 4.340 -0.000 0.000 0.206 105 L C -0.179 176.537 176.870 -0.256 0.000 1.074 105 L CA 1.258 55.842 54.840 -0.427 0.000 0.745 105 L CB -1.716 39.761 42.059 -0.970 0.000 0.898 105 L HN 0.187 nan 8.230 nan 0.000 0.433 106 P HA -0.101 nan 4.420 nan 0.000 0.215 106 P C -1.353 176.001 177.300 0.090 0.000 1.153 106 P CA 1.539 64.699 63.100 0.099 0.000 0.853 106 P CB -0.867 30.901 31.700 0.114 0.000 0.788 107 P HA -0.134 nan 4.420 nan 0.000 0.216 107 P C 1.903 179.257 177.300 0.090 0.000 1.153 107 P CA 1.664 64.801 63.100 0.062 0.000 0.848 107 P CB -0.454 31.274 31.700 0.047 0.000 0.787 108 S N -1.673 114.088 115.700 0.102 0.000 2.370 108 S HA -0.189 4.281 4.470 -0.000 0.000 0.226 108 S C 1.817 176.535 174.600 0.197 0.000 1.033 108 S CA 1.100 59.410 58.200 0.183 0.000 1.011 108 S CB -1.127 62.245 63.200 0.287 0.000 0.852 108 S HN 0.054 nan 8.310 nan 0.000 0.457 109 F N 0.743 120.545 119.950 -0.246 0.000 2.146 109 F HA -0.070 4.457 4.527 -0.000 0.000 0.298 109 F C 2.065 177.806 175.800 -0.098 0.000 1.096 109 F CA 0.860 58.571 58.000 -0.482 0.000 1.275 109 F CB -0.107 38.549 39.000 -0.573 0.000 1.008 109 F HN 0.301 nan 8.300 nan 0.000 0.480 110 L N 0.818 122.132 121.223 0.151 0.000 2.046 110 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 110 L C 1.916 178.858 176.870 0.120 0.000 1.077 110 L CA 1.719 56.605 54.840 0.077 0.000 0.747 110 L CB -0.811 41.273 42.059 0.042 0.000 0.896 110 L HN 0.151 nan 8.230 nan 0.000 0.432 111 L N -1.431 119.878 121.223 0.143 0.000 2.093 111 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 111 L C 2.456 179.426 176.870 0.168 0.000 1.085 111 L CA 1.012 55.940 54.840 0.146 0.000 0.755 111 L CB -0.527 41.625 42.059 0.155 0.000 0.904 111 L HN 0.340 nan 8.230 nan 0.000 0.435 112 L N -0.395 120.965 121.223 0.229 0.000 2.027 112 L HA -0.183 4.157 4.340 -0.000 0.000 0.206 112 L C 2.324 179.347 176.870 0.255 0.000 1.074 112 L CA 1.547 56.544 54.840 0.261 0.000 0.745 112 L CB -0.167 42.148 42.059 0.427 0.000 0.898 112 L HN 0.105 nan 8.230 nan 0.000 0.433 113 L N -0.869 120.507 121.223 0.256 0.000 2.141 113 L HA -0.143 4.197 4.340 -0.000 0.000 0.209 113 L C 2.675 179.621 176.870 0.128 0.000 1.094 113 L CA 0.911 55.857 54.840 0.178 0.000 0.763 113 L CB -0.926 41.194 42.059 0.102 0.000 0.908 113 L HN 0.346 nan 8.230 nan 0.000 0.437 114 A N 0.365 123.256 122.820 0.118 0.000 1.902 114 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 114 A C 2.566 180.213 177.584 0.106 0.000 1.181 114 A CA 1.967 54.063 52.037 0.098 0.000 0.623 114 A CB -0.708 18.347 19.000 0.093 0.000 0.818 114 A HN 0.505 nan 8.150 nan 0.000 0.443 115 S N 0.525 116.298 115.700 0.121 0.000 2.399 115 S HA -0.171 4.299 4.470 -0.000 0.000 0.231 115 S C 2.025 176.697 174.600 0.120 0.000 1.022 115 S CA 1.912 60.182 58.200 0.117 0.000 0.983 115 S CB -0.799 62.469 63.200 0.113 0.000 0.803 115 S HN 0.954 nan 8.310 nan 0.000 0.480 116 S N 0.465 116.243 115.700 0.130 0.000 2.496 116 S HA 0.204 4.674 4.470 -0.000 0.000 0.224 116 S C 1.848 176.508 174.600 0.100 0.000 0.996 116 S CA 0.335 58.609 58.200 0.124 0.000 0.927 116 S CB -0.337 62.947 63.200 0.139 0.000 0.774 116 S HN 0.371 nan 8.310 nan 0.000 0.524 117 M N 2.079 121.734 119.600 0.091 0.000 2.357 117 M HA 0.247 4.727 4.480 -0.000 0.000 0.266 117 M C 1.059 177.400 176.300 0.067 0.000 1.095 117 M CA 0.505 55.849 55.300 0.073 0.000 1.156 117 M CB -0.680 31.959 32.600 0.065 0.000 1.365 117 M HN 0.406 nan 8.290 nan 0.000 0.447 118 V N -0.822 119.136 119.914 0.073 0.000 2.785 118 V HA 0.334 4.454 4.120 -0.000 0.000 0.300 118 V C 0.860 176.996 176.094 0.070 0.000 1.062 118 V CA -0.998 61.342 62.300 0.067 0.000 1.029 118 V CB 0.986 32.851 31.823 0.070 0.000 1.024 118 V HN 0.533 nan 8.190 nan 0.000 0.477 119 E N 2.266 122.501 120.200 0.059 0.000 3.401 119 E HA -0.339 4.011 4.350 -0.000 0.000 0.352 119 E C 0.882 177.516 176.600 0.057 0.000 1.523 119 E CA 2.085 58.518 56.400 0.055 0.000 1.794 119 E CB -1.608 28.130 29.700 0.064 0.000 1.792 119 E HN 1.559 nan 8.360 nan 0.000 0.471 120 A N 1.423 124.280 122.820 0.061 0.000 2.574 120 A HA 0.521 4.841 4.320 -0.000 0.000 0.283 120 A C 0.852 178.497 177.584 0.102 0.000 1.270 120 A CA 1.401 53.476 52.037 0.063 0.000 0.945 120 A CB -0.137 18.881 19.000 0.030 0.000 1.127 120 A HN 1.368 nan 8.150 nan 0.000 0.522 121 G N -0.943 107.929 108.800 0.119 0.000 2.855 121 G HA2 0.284 4.244 3.960 -0.000 0.000 0.352 121 G HA3 0.284 4.244 3.960 -0.000 0.000 0.352 121 G C 0.122 175.146 174.900 0.206 0.000 1.415 121 G CA -0.292 44.895 45.100 0.145 0.000 0.871 121 G HN 1.786 nan 8.290 nan 0.000 0.543 122 A N 0.351 123.272 122.820 0.168 0.000 2.444 122 A HA 0.732 5.052 4.320 -0.000 0.000 0.332 122 A C 0.851 178.489 177.584 0.090 0.000 1.430 122 A CA 0.772 52.865 52.037 0.094 0.000 0.975 122 A CB 0.380 19.397 19.000 0.029 0.000 1.147 122 A HN 2.294 nan 8.150 nan 0.000 0.524 123 G N 1.633 110.565 108.800 0.219 0.000 3.964 123 G HA2 0.376 4.336 3.960 -0.000 0.000 0.289 123 G HA3 0.376 4.336 3.960 -0.000 0.000 0.289 123 G C 0.695 175.636 174.900 0.068 0.000 1.176 123 G CA 0.482 45.682 45.100 0.167 0.000 1.553 123 G HN 0.778 nan 8.290 nan 0.000 0.588 124 T N -2.378 112.125 114.554 -0.085 0.000 2.971 124 T HA 0.500 4.850 4.350 -0.000 0.000 0.252 124 T C 1.165 175.780 174.700 -0.143 0.000 1.022 124 T CA 0.497 62.502 62.100 -0.157 0.000 0.980 124 T CB 0.639 69.346 68.868 -0.268 0.000 1.044 124 T HN 1.615 nan 8.240 nan 0.000 0.501 125 G N 1.620 110.358 108.800 -0.104 0.000 2.692 125 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.686 125 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.686 125 G C 0.210 174.975 174.900 -0.225 0.000 1.243 125 G CA -0.260 44.762 45.100 -0.130 0.000 0.782 125 G HN 0.599 nan 8.290 nan 0.000 0.625 126 W N 0.750 121.763 121.300 -0.478 0.000 2.611 126 W HA -0.023 4.637 4.660 -0.000 0.000 0.251 126 W C 1.513 177.777 176.519 -0.426 0.000 1.265 126 W CA 1.936 58.812 57.345 -0.780 0.000 1.295 126 W CB -1.522 27.381 29.460 -0.928 0.000 1.129 126 W HN 1.058 nan 8.180 nan 0.000 0.630 127 T N -0.968 112.898 114.554 -1.147 0.000 3.023 127 T HA 0.003 4.353 4.350 -0.000 0.000 0.266 127 T C 1.232 175.350 174.700 -0.970 0.000 1.093 127 T CA 0.919 62.003 62.100 -1.693 0.000 1.129 127 T CB -0.863 67.001 68.868 -1.673 0.000 0.899 127 T HN 0.147 nan 8.240 nan 0.000 0.491 128 V N 0.695 120.295 119.914 -0.523 0.000 5.175 128 V HA -0.235 3.885 4.120 -0.000 0.000 0.279 128 V C 0.235 176.064 176.094 -0.442 0.000 0.571 128 V CA 0.372 62.478 62.300 -0.323 0.000 0.694 128 V CB -2.924 28.812 31.823 -0.144 0.000 0.525 128 V HN 0.708 nan 8.190 nan 0.000 1.093 129 Y N 1.860 121.833 120.300 -0.545 0.000 2.526 129 Y HA 0.244 4.794 4.550 -0.000 0.000 0.330 129 Y C -0.903 174.698 175.900 -0.499 0.000 1.156 129 Y CA -1.709 56.032 58.100 -0.599 0.000 1.419 129 Y CB 1.000 39.290 38.460 -0.284 0.000 1.250 129 Y HN 0.277 nan 8.280 nan 0.000 0.540 130 P HA 0.197 nan 4.420 nan 0.000 0.281 130 P C -2.455 174.786 177.300 -0.097 0.000 1.264 130 P CA -2.092 60.872 63.100 -0.228 0.000 0.824 130 P CB 1.385 32.950 31.700 -0.225 0.000 1.092 131 P HA 0.027 nan 4.420 nan 0.000 0.236 131 P C 1.532 178.853 177.300 0.035 0.000 1.177 131 P CA 0.128 63.240 63.100 0.021 0.000 0.773 131 P CB -0.094 31.634 31.700 0.046 0.000 0.878 132 L N 0.454 121.701 121.223 0.039 0.000 2.081 132 L HA -0.125 4.215 4.340 -0.000 0.000 0.212 132 L C 1.939 178.870 176.870 0.102 0.000 1.080 132 L CA 2.059 56.956 54.840 0.096 0.000 0.754 132 L CB -1.288 40.822 42.059 0.086 0.000 0.893 132 L HN -0.054 nan 8.230 nan 0.000 0.433 133 A N -0.967 121.820 122.820 -0.055 0.000 2.251 133 A HA 0.418 4.738 4.320 -0.000 0.000 0.209 133 A C 1.370 178.931 177.584 -0.038 0.000 1.187 133 A CA 0.333 52.288 52.037 -0.137 0.000 0.823 133 A CB -1.216 17.634 19.000 -0.249 0.000 0.846 133 A HN 0.470 nan 8.150 nan 0.000 0.486 134 G N 0.128 108.940 108.800 0.019 0.000 2.651 134 G HA2 0.254 4.214 3.960 -0.000 0.000 0.260 134 G HA3 0.254 4.214 3.960 -0.000 0.000 0.260 134 G C 0.562 175.507 174.900 0.074 0.000 1.216 134 G CA 0.124 45.253 45.100 0.048 0.000 0.913 134 G HN 0.473 nan 8.290 nan 0.000 0.535 135 N N -0.691 118.046 118.700 0.063 0.000 2.571 135 N HA -0.040 4.700 4.740 -0.000 0.000 0.189 135 N C 1.306 176.848 175.510 0.053 0.000 1.154 135 N CA 0.379 53.465 53.050 0.060 0.000 0.907 135 N CB 0.187 38.704 38.487 0.049 0.000 0.977 135 N HN 0.285 nan 8.380 nan 0.000 0.449 136 L N -0.494 120.760 121.223 0.052 0.000 2.433 136 L HA 0.497 4.837 4.340 -0.000 0.000 0.200 136 L C 1.987 178.876 176.870 0.031 0.000 1.059 136 L CA 1.018 55.881 54.840 0.037 0.000 0.835 136 L CB -0.982 41.098 42.059 0.035 0.000 1.076 136 L HN 0.126 nan 8.230 nan 0.000 0.481 137 A N -1.905 120.946 122.820 0.052 0.000 2.123 137 A HA -0.007 4.313 4.320 -0.000 0.000 0.214 137 A C 0.288 177.873 177.584 0.001 0.000 1.152 137 A CA 0.772 52.835 52.037 0.042 0.000 0.728 137 A CB -0.643 18.413 19.000 0.093 0.000 0.814 137 A HN 0.631 nan 8.150 nan 0.000 0.464 138 H N -1.113 117.966 119.070 0.015 0.000 2.597 138 H HA 0.516 5.072 4.556 -0.000 0.000 0.225 138 H C 0.063 175.402 175.328 0.018 0.000 1.422 138 H CA -0.095 55.963 56.048 0.017 0.000 1.335 138 H CB 0.417 30.185 29.762 0.010 0.000 1.783 138 H HN 0.411 nan 8.280 nan 0.000 0.513 139 A N 1.002 123.859 122.820 0.061 0.000 2.445 139 A HA 0.589 4.909 4.320 -0.000 0.000 0.242 139 A C 1.031 178.651 177.584 0.060 0.000 1.075 139 A CA 0.808 52.877 52.037 0.053 0.000 0.777 139 A CB -0.151 18.866 19.000 0.027 0.000 1.013 139 A HN 0.877 nan 8.150 nan 0.000 0.493 140 G N -0.846 107.990 108.800 0.061 0.000 2.541 140 G HA2 0.372 4.332 3.960 -0.000 0.000 0.686 140 G HA3 0.372 4.332 3.960 -0.000 0.000 0.686 140 G C 0.631 175.576 174.900 0.075 0.000 1.286 140 G CA 0.106 45.244 45.100 0.064 0.000 0.894 140 G HN 1.962 nan 8.290 nan 0.000 0.575 141 A N -0.244 122.623 122.820 0.078 0.000 2.119 141 A HA 0.295 4.615 4.320 -0.000 0.000 0.217 141 A C 2.671 180.307 177.584 0.088 0.000 1.153 141 A CA 2.520 54.610 52.037 0.088 0.000 0.692 141 A CB -0.606 18.451 19.000 0.094 0.000 0.799 141 A HN 1.569 nan 8.150 nan 0.000 0.458 142 S N -0.204 115.553 115.700 0.095 0.000 2.369 142 S HA -0.192 4.278 4.470 -0.000 0.000 0.225 142 S C 1.851 176.486 174.600 0.059 0.000 1.043 142 S CA 1.777 60.035 58.200 0.098 0.000 1.074 142 S CB -0.569 62.712 63.200 0.135 0.000 0.962 142 S HN 0.379 nan 8.310 nan 0.000 0.433 143 V N 2.388 122.323 119.914 0.036 0.000 2.515 143 V HA -0.142 3.978 4.120 -0.000 0.000 0.250 143 V C 1.941 177.980 176.094 -0.091 0.000 1.058 143 V CA 1.587 63.862 62.300 -0.042 0.000 1.064 143 V CB -0.664 31.116 31.823 -0.072 0.000 0.675 143 V HN 0.414 nan 8.190 nan 0.000 0.461 144 D N 0.032 120.391 120.400 -0.068 0.000 2.144 144 D HA -0.084 4.556 4.640 -0.000 0.000 0.200 144 D C 2.128 178.337 176.300 -0.153 0.000 0.978 144 D CA 1.039 54.931 54.000 -0.180 0.000 0.833 144 D CB -0.014 40.749 40.800 -0.061 0.000 0.961 144 D HN 0.354 nan 8.370 nan 0.000 0.470 145 L N 0.652 121.906 121.223 0.052 0.000 2.093 145 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 145 L C 2.502 179.403 176.870 0.051 0.000 1.085 145 L CA 0.955 55.889 54.840 0.156 0.000 0.755 145 L CB -0.445 41.702 42.059 0.147 0.000 0.904 145 L HN -0.016 nan 8.230 nan 0.000 0.435 146 T N 0.095 114.623 114.554 -0.043 0.000 2.746 146 T HA -0.137 4.213 4.350 -0.000 0.000 0.267 146 T C 1.918 176.452 174.700 -0.277 0.000 1.039 146 T CA 1.287 63.298 62.100 -0.147 0.000 1.142 146 T CB -0.159 68.642 68.868 -0.111 0.000 0.866 146 T HN 0.176 nan 8.240 nan 0.000 0.444 147 I N 0.270 120.653 120.570 -0.313 0.000 2.179 147 I HA -0.159 4.011 4.170 -0.000 0.000 0.242 147 I C 2.012 177.860 176.117 -0.448 0.000 1.088 147 I CA 1.391 62.414 61.300 -0.461 0.000 1.357 147 I CB -0.361 37.314 38.000 -0.542 0.000 1.051 147 I HN 0.157 nan 8.210 nan 0.000 0.409 148 F N 0.329 120.215 119.950 -0.107 0.000 2.216 148 F HA -0.209 4.318 4.527 -0.000 0.000 0.300 148 F C 2.926 178.715 175.800 -0.017 0.000 1.085 148 F CA 1.432 59.447 58.000 0.026 0.000 1.326 148 F CB -1.183 37.857 39.000 0.066 0.000 1.027 148 F HN 0.027 nan 8.300 nan 0.000 0.497 149 S N 0.181 115.931 115.700 0.084 0.000 2.356 149 S HA -0.153 4.317 4.470 -0.000 0.000 0.223 149 S C 2.177 176.717 174.600 -0.100 0.000 1.032 149 S CA 1.133 59.356 58.200 0.037 0.000 1.005 149 S CB -0.417 62.782 63.200 -0.002 0.000 0.867 149 S HN 0.346 nan 8.310 nan 0.000 0.449 150 L N 0.137 121.166 121.223 -0.323 0.000 2.093 150 L HA -0.081 4.259 4.340 -0.000 0.000 0.208 150 L C 2.433 179.159 176.870 -0.239 0.000 1.085 150 L CA 1.568 56.119 54.840 -0.481 0.000 0.755 150 L CB -0.661 41.024 42.059 -0.622 0.000 0.904 150 L HN 0.475 nan 8.230 nan 0.000 0.435 151 H N -0.414 118.595 119.070 -0.102 0.000 2.321 151 H HA -0.154 4.402 4.556 -0.000 0.000 0.300 151 H C 2.347 177.672 175.328 -0.005 0.000 1.087 151 H CA 1.222 57.254 56.048 -0.027 0.000 1.319 151 H CB 0.143 29.957 29.762 0.086 0.000 1.379 151 H HN 0.198 nan 8.280 nan 0.000 0.501 152 L N -0.085 121.235 121.223 0.160 0.000 2.046 152 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 152 L C 2.836 179.758 176.870 0.087 0.000 1.077 152 L CA 0.912 55.816 54.840 0.107 0.000 0.747 152 L CB -0.641 41.480 42.059 0.104 0.000 0.896 152 L HN 0.346 nan 8.230 nan 0.000 0.432 153 A N 0.463 123.325 122.820 0.071 0.000 1.972 153 A HA -0.087 4.233 4.320 -0.000 0.000 0.219 153 A C 2.391 180.029 177.584 0.090 0.000 1.169 153 A CA 1.623 53.714 52.037 0.091 0.000 0.635 153 A CB -1.017 17.979 19.000 -0.007 0.000 0.810 153 A HN 0.447 nan 8.150 nan 0.000 0.446 154 G N -0.580 108.243 108.800 0.037 0.000 2.404 154 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.215 154 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.215 154 G C 1.500 176.446 174.900 0.076 0.000 1.174 154 G CA 1.153 46.283 45.100 0.050 0.000 0.780 154 G HN 0.293 nan 8.290 nan 0.000 0.537 155 V N 0.998 120.955 119.914 0.071 0.000 2.343 155 V HA -0.197 3.923 4.120 -0.000 0.000 0.247 155 V C 3.065 179.206 176.094 0.078 0.000 1.051 155 V CA 2.242 64.579 62.300 0.062 0.000 1.036 155 V CB -0.451 31.398 31.823 0.044 0.000 0.654 155 V HN 0.509 nan 8.190 nan 0.000 0.451 156 S N -0.289 115.464 115.700 0.088 0.000 2.365 156 S HA -0.250 4.220 4.470 -0.000 0.000 0.225 156 S C 2.208 176.895 174.600 0.144 0.000 1.039 156 S CA 2.404 60.669 58.200 0.109 0.000 1.033 156 S CB -0.364 62.897 63.200 0.101 0.000 0.887 156 S HN 0.583 nan 8.310 nan 0.000 0.447 157 S N 0.769 116.559 115.700 0.149 0.000 2.383 157 S HA 0.125 4.595 4.470 -0.000 0.000 0.227 157 S C 1.752 176.440 174.600 0.147 0.000 1.026 157 S CA 1.175 59.470 58.200 0.160 0.000 0.981 157 S CB -0.385 62.915 63.200 0.166 0.000 0.818 157 S HN 0.536 nan 8.310 nan 0.000 0.472 158 I N 1.293 121.937 120.570 0.123 0.000 2.252 158 I HA -0.153 4.017 4.170 -0.000 0.000 0.245 158 I C 1.892 178.074 176.117 0.109 0.000 1.102 158 I CA 1.048 62.414 61.300 0.111 0.000 1.385 158 I CB -0.268 37.782 38.000 0.085 0.000 1.064 158 I HN 0.236 nan 8.210 nan 0.000 0.414 159 L N 0.144 121.427 121.223 0.100 0.000 2.141 159 L HA -0.097 4.243 4.340 -0.000 0.000 0.209 159 L C 2.618 179.565 176.870 0.129 0.000 1.094 159 L CA 1.325 56.222 54.840 0.095 0.000 0.763 159 L CB -1.086 41.017 42.059 0.073 0.000 0.908 159 L HN 0.316 nan 8.230 nan 0.000 0.437 160 G N -0.296 108.597 108.800 0.156 0.000 2.408 160 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.217 160 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.217 160 G C 1.795 176.852 174.900 0.263 0.000 1.150 160 G CA 0.745 45.962 45.100 0.196 0.000 0.776 160 G HN 0.442 nan 8.290 nan 0.000 0.542 161 A N 0.817 123.772 122.820 0.225 0.000 1.902 161 A HA 0.070 4.390 4.320 -0.000 0.000 0.217 161 A C 2.379 180.074 177.584 0.185 0.000 1.181 161 A CA 1.180 53.346 52.037 0.214 0.000 0.623 161 A CB -0.343 18.751 19.000 0.156 0.000 0.818 161 A HN 0.365 nan 8.150 nan 0.000 0.443 162 I N -0.179 120.487 120.570 0.159 0.000 2.226 162 I HA -0.252 3.918 4.170 -0.000 0.000 0.245 162 I C 2.464 178.700 176.117 0.198 0.000 1.100 162 I CA 1.266 62.665 61.300 0.166 0.000 1.374 162 I CB -0.404 37.685 38.000 0.148 0.000 1.057 162 I HN 0.354 nan 8.210 nan 0.000 0.413 163 N N 1.011 119.811 118.700 0.166 0.000 2.084 163 N HA -0.168 4.572 4.740 -0.000 0.000 0.190 163 N C 1.908 177.306 175.510 -0.186 0.000 1.030 163 N CA 1.699 54.753 53.050 0.006 0.000 0.849 163 N CB -0.252 38.184 38.487 -0.085 0.000 1.012 163 N HN 0.214 nan 8.380 nan 0.000 0.423 164 F N 1.086 121.018 119.950 -0.029 0.000 2.146 164 F HA -0.015 4.512 4.527 -0.000 0.000 0.298 164 F C 2.353 178.095 175.800 -0.097 0.000 1.096 164 F CA 0.682 58.634 58.000 -0.079 0.000 1.275 164 F CB -0.169 38.789 39.000 -0.069 0.000 1.008 164 F HN 0.009 nan 8.300 nan 0.000 0.480 165 I N -0.620 120.025 120.570 0.126 0.000 2.179 165 I HA -0.305 3.865 4.170 -0.000 0.000 0.242 165 I C 2.276 178.378 176.117 -0.025 0.000 1.088 165 I CA 1.628 62.953 61.300 0.043 0.000 1.357 165 I CB -0.855 37.182 38.000 0.062 0.000 1.051 165 I HN 0.114 nan 8.210 nan 0.000 0.409 166 T N -0.012 114.519 114.554 -0.038 0.000 2.708 166 T HA -0.173 4.177 4.350 -0.000 0.000 0.266 166 T C 1.916 176.494 174.700 -0.204 0.000 1.037 166 T CA 2.077 64.111 62.100 -0.111 0.000 1.146 166 T CB -0.451 68.329 68.868 -0.147 0.000 0.865 166 T HN 0.364 nan 8.240 nan 0.000 0.435 167 T N 2.186 116.586 114.554 -0.257 0.000 2.684 167 T HA -0.017 4.333 4.350 -0.000 0.000 0.267 167 T C 1.992 176.580 174.700 -0.187 0.000 1.036 167 T CA 1.114 63.055 62.100 -0.264 0.000 1.148 167 T CB -0.469 68.224 68.868 -0.291 0.000 0.863 167 T HN 0.323 nan 8.240 nan 0.000 0.436 168 I N 0.514 121.002 120.570 -0.137 0.000 2.315 168 I HA -0.122 4.048 4.170 -0.000 0.000 0.248 168 I C 2.108 178.111 176.117 -0.190 0.000 1.117 168 I CA 0.813 62.018 61.300 -0.158 0.000 1.404 168 I CB -0.274 37.634 38.000 -0.153 0.000 1.071 168 I HN 0.203 nan 8.210 nan 0.000 0.419 169 I N 0.478 120.951 120.570 -0.160 0.000 2.277 169 I HA -0.198 3.972 4.170 -0.000 0.000 0.243 169 I C 2.067 178.104 176.117 -0.133 0.000 1.094 169 I CA 1.591 62.802 61.300 -0.148 0.000 1.393 169 I CB -1.245 36.694 38.000 -0.102 0.000 1.078 169 I HN 0.274 nan 8.210 nan 0.000 0.417 170 N N 0.133 118.753 118.700 -0.133 0.000 2.392 170 N HA 0.074 4.814 4.740 -0.000 0.000 0.177 170 N C 1.103 176.532 175.510 -0.136 0.000 1.066 170 N CA 0.440 53.416 53.050 -0.124 0.000 0.895 170 N CB 0.220 38.635 38.487 -0.121 0.000 0.988 170 N HN 0.174 nan 8.380 nan 0.000 0.457 171 M N -0.025 119.479 119.600 -0.160 0.000 2.685 171 M HA 0.220 4.700 4.480 -0.000 0.000 0.355 171 M C -0.470 175.731 176.300 -0.165 0.000 1.197 171 M CA -0.197 55.005 55.300 -0.164 0.000 0.947 171 M CB 0.726 33.210 32.600 -0.194 0.000 1.346 171 M HN -0.161 nan 8.290 nan 0.000 0.516 172 K N 1.153 121.462 120.400 -0.152 0.000 2.090 172 K HA 0.460 4.780 4.320 -0.000 0.000 0.250 172 K C -2.432 174.091 176.600 -0.128 0.000 1.004 172 K CA -1.697 54.502 56.287 -0.148 0.000 0.919 172 K CB 0.120 32.537 32.500 -0.139 0.000 1.045 172 K HN -0.138 nan 8.250 nan 0.000 0.471 173 P HA 0.002 nan 4.420 nan 0.000 0.267 173 P C -2.117 175.129 177.300 -0.090 0.000 1.200 173 P CA -0.901 62.138 63.100 -0.102 0.000 0.772 173 P CB 0.123 31.768 31.700 -0.090 0.000 0.855 174 P HA -0.225 nan 4.420 nan 0.000 0.217 174 P C 0.975 178.232 177.300 -0.071 0.000 1.148 174 P CA 1.840 64.895 63.100 -0.076 0.000 0.834 174 P CB -0.192 31.462 31.700 -0.076 0.000 0.783 175 A N -1.755 121.017 122.820 -0.080 0.000 2.123 175 A HA 0.069 4.389 4.320 -0.000 0.000 0.214 175 A C 1.267 178.826 177.584 -0.043 0.000 1.152 175 A CA 0.049 52.047 52.037 -0.065 0.000 0.728 175 A CB -0.873 18.075 19.000 -0.085 0.000 0.814 175 A HN 0.167 nan 8.150 nan 0.000 0.464 176 M N 2.235 121.805 119.600 -0.050 0.000 2.143 176 M HA 0.265 4.745 4.480 -0.000 0.000 0.348 176 M C 0.425 176.698 176.300 -0.044 0.000 1.375 176 M CA -0.217 55.060 55.300 -0.038 0.000 1.124 176 M CB 0.556 33.127 32.600 -0.049 0.000 1.669 176 M HN 0.417 nan 8.290 nan 0.000 0.469 177 S N 3.444 119.135 115.700 -0.014 0.000 2.655 177 S HA 0.151 4.621 4.470 -0.000 0.000 0.265 177 S C 0.634 175.177 174.600 -0.095 0.000 1.240 177 S CA -0.471 57.708 58.200 -0.036 0.000 0.986 177 S CB 1.323 64.552 63.200 0.047 0.000 0.985 177 S HN 0.823 nan 8.310 nan 0.000 0.562 178 Q N -0.450 119.201 119.800 -0.248 0.000 2.291 178 Q HA 0.035 4.375 4.340 -0.000 0.000 0.206 178 Q C 0.454 176.404 176.000 -0.084 0.000 0.976 178 Q CA 1.556 57.136 55.803 -0.373 0.000 0.875 178 Q CB -0.539 27.860 28.738 -0.565 0.000 0.927 178 Q HN 0.839 nan 8.270 nan 0.000 0.450 179 Y N -0.816 119.709 120.300 0.374 0.000 2.470 179 Y HA 0.189 4.739 4.550 -0.000 0.000 0.302 179 Y C 0.750 176.825 175.900 0.292 0.000 1.194 179 Y CA 0.202 58.612 58.100 0.516 0.000 1.271 179 Y CB 0.183 38.860 38.460 0.362 0.000 1.092 179 Y HN 0.104 nan 8.280 nan 0.000 0.513 180 Q N -0.500 119.456 119.800 0.260 0.000 2.118 180 Q HA 0.122 4.462 4.340 -0.000 0.000 0.219 180 Q C 0.251 176.326 176.000 0.125 0.000 0.794 180 Q CA -0.151 55.712 55.803 0.099 0.000 1.035 180 Q CB 0.886 29.654 28.738 0.050 0.000 1.177 180 Q HN 0.281 nan 8.270 nan 0.000 0.478 181 T N -2.102 112.592 114.554 0.233 0.000 2.907 181 T HA 0.595 4.945 4.350 -0.000 0.000 0.284 181 T C -2.560 172.394 174.700 0.424 0.000 1.004 181 T CA -2.223 59.985 62.100 0.180 0.000 1.063 181 T CB 1.516 70.339 68.868 -0.075 0.000 0.992 181 T HN -0.227 nan 8.240 nan 0.000 0.483 182 P HA 0.179 nan 4.420 nan 0.000 0.269 182 P C 1.044 178.747 177.300 0.673 0.000 1.215 182 P CA -0.474 62.952 63.100 0.543 0.000 0.780 182 P CB 0.432 32.483 31.700 0.585 0.000 0.898 183 L N 0.642 122.289 121.223 0.707 0.000 2.191 183 L HA -0.177 4.163 4.340 -0.000 0.000 0.212 183 L C 2.095 179.313 176.870 0.580 0.000 1.103 183 L CA 1.313 56.511 54.840 0.598 0.000 0.769 183 L CB -0.609 41.707 42.059 0.428 0.000 0.908 183 L HN 0.394 nan 8.230 nan 0.000 0.438 184 F N 0.315 120.586 119.950 0.535 0.000 2.146 184 F HA -0.161 4.366 4.527 -0.000 0.000 0.298 184 F C 2.216 178.090 175.800 0.123 0.000 1.096 184 F CA 1.300 59.392 58.000 0.153 0.000 1.275 184 F CB -0.279 38.558 39.000 -0.271 0.000 1.008 184 F HN -0.253 nan 8.300 nan 0.000 0.480 185 V N -0.912 119.037 119.914 0.059 0.000 2.343 185 V HA -0.328 3.792 4.120 -0.000 0.000 0.247 185 V C 2.128 178.151 176.094 -0.118 0.000 1.051 185 V CA 2.083 64.319 62.300 -0.107 0.000 1.036 185 V CB -1.109 30.703 31.823 -0.018 0.000 0.654 185 V HN 0.494 nan 8.190 nan 0.000 0.451 186 W N 0.822 122.111 121.300 -0.018 0.000 2.358 186 W HA -0.231 4.428 4.660 -0.000 0.000 0.303 186 W C 3.035 179.509 176.519 -0.074 0.000 1.208 186 W CA 1.967 59.299 57.345 -0.020 0.000 1.274 186 W CB -0.451 29.022 29.460 0.022 0.000 1.138 186 W HN 0.369 nan 8.180 nan 0.000 0.515 187 S N -0.496 115.292 115.700 0.148 0.000 2.399 187 S HA -0.173 4.296 4.470 -0.000 0.000 0.231 187 S C 1.675 176.176 174.600 -0.164 0.000 1.022 187 S CA 1.585 59.799 58.200 0.024 0.000 0.983 187 S CB -0.932 62.303 63.200 0.058 0.000 0.803 187 S HN 0.060 nan 8.310 nan 0.000 0.480 188 V N 1.774 121.449 119.914 -0.397 0.000 2.488 188 V HA -0.031 4.089 4.120 -0.000 0.000 0.246 188 V C 2.573 178.501 176.094 -0.277 0.000 1.046 188 V CA 1.910 63.913 62.300 -0.496 0.000 1.053 188 V CB -0.719 30.621 31.823 -0.805 0.000 0.679 188 V HN 0.623 nan 8.190 nan 0.000 0.458 189 M N -0.169 119.336 119.600 -0.158 0.000 2.132 189 M HA -0.145 4.335 4.480 -0.000 0.000 0.263 189 M C 2.037 178.350 176.300 0.022 0.000 1.065 189 M CA 2.088 57.352 55.300 -0.059 0.000 1.122 189 M CB -0.264 32.283 32.600 -0.089 0.000 1.365 189 M HN 0.228 nan 8.290 nan 0.000 0.411 190 I N -0.274 120.343 120.570 0.079 0.000 2.226 190 I HA -0.273 3.897 4.170 -0.000 0.000 0.245 190 I C 2.113 178.275 176.117 0.075 0.000 1.100 190 I CA 1.549 62.922 61.300 0.121 0.000 1.374 190 I CB -0.727 37.371 38.000 0.163 0.000 1.057 190 I HN 0.360 nan 8.210 nan 0.000 0.413 191 T N 0.718 115.278 114.554 0.009 0.000 2.746 191 T HA -0.168 4.182 4.350 -0.000 0.000 0.267 191 T C 2.065 176.768 174.700 0.005 0.000 1.039 191 T CA 1.483 63.571 62.100 -0.020 0.000 1.142 191 T CB -0.307 68.500 68.868 -0.100 0.000 0.866 191 T HN 0.486 nan 8.240 nan 0.000 0.444 192 A N 0.882 123.699 122.820 -0.005 0.000 1.902 192 A HA -0.043 4.277 4.320 -0.000 0.000 0.217 192 A C 2.579 180.223 177.584 0.100 0.000 1.181 192 A CA 1.289 53.359 52.037 0.055 0.000 0.623 192 A CB -0.979 18.068 19.000 0.078 0.000 0.818 192 A HN 0.358 nan 8.150 nan 0.000 0.443 193 V N 0.428 120.405 119.914 0.106 0.000 2.343 193 V HA -0.248 3.872 4.120 -0.000 0.000 0.247 193 V C 2.549 178.764 176.094 0.201 0.000 1.051 193 V CA 1.859 64.242 62.300 0.139 0.000 1.036 193 V CB -0.718 31.190 31.823 0.141 0.000 0.654 193 V HN 0.567 nan 8.190 nan 0.000 0.451 194 L N -0.870 120.480 121.223 0.212 0.000 2.083 194 L HA -0.180 4.160 4.340 -0.000 0.000 0.209 194 L C 2.437 179.439 176.870 0.220 0.000 1.083 194 L CA 1.531 56.532 54.840 0.268 0.000 0.752 194 L CB -0.669 41.437 42.059 0.079 0.000 0.899 194 L HN 0.326 nan 8.230 nan 0.000 0.433 195 L N -0.488 120.824 121.223 0.150 0.000 2.017 195 L HA -0.249 4.091 4.340 -0.000 0.000 0.208 195 L C 2.617 179.598 176.870 0.185 0.000 1.073 195 L CA 0.895 55.830 54.840 0.159 0.000 0.745 195 L CB -0.441 41.694 42.059 0.126 0.000 0.894 195 L HN 0.218 nan 8.230 nan 0.000 0.432 196 L N -0.366 120.957 121.223 0.166 0.000 2.042 196 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 196 L C 2.227 179.192 176.870 0.157 0.000 1.076 196 L CA 1.816 56.742 54.840 0.144 0.000 0.749 196 L CB -0.224 41.907 42.059 0.121 0.000 0.893 196 L HN 0.127 nan 8.230 nan 0.000 0.432 197 L N -1.639 119.710 121.223 0.211 0.000 2.162 197 L HA -0.034 4.306 4.340 -0.000 0.000 0.205 197 L C 2.561 179.639 176.870 0.346 0.000 1.086 197 L CA 1.002 55.974 54.840 0.221 0.000 0.778 197 L CB -0.667 41.464 42.059 0.120 0.000 0.928 197 L HN 0.415 nan 8.230 nan 0.000 0.446 198 S N -0.007 115.943 115.700 0.418 0.000 2.371 198 S HA -0.047 4.423 4.470 -0.000 0.000 0.221 198 S C 1.989 176.821 174.600 0.386 0.000 1.036 198 S CA 0.339 58.786 58.200 0.412 0.000 0.965 198 S CB -0.649 62.686 63.200 0.225 0.000 0.845 198 S HN 0.267 nan 8.310 nan 0.000 0.475 199 L N 1.816 123.227 121.223 0.314 0.000 2.079 199 L HA -0.016 4.324 4.340 -0.000 0.000 0.210 199 L C -0.744 176.139 176.870 0.022 0.000 1.081 199 L CA 1.284 56.196 54.840 0.120 0.000 0.752 199 L CB -1.422 40.706 42.059 0.115 0.000 0.896 199 L HN 0.302 nan 8.230 nan 0.000 0.433 200 P HA -0.110 nan 4.420 nan 0.000 0.220 200 P C 1.813 179.119 177.300 0.010 0.000 1.148 200 P CA 0.958 64.079 63.100 0.036 0.000 0.803 200 P CB 0.135 31.866 31.700 0.051 0.000 0.782 201 V N -0.515 119.430 119.914 0.051 0.000 2.453 201 V HA -0.180 3.940 4.120 -0.000 0.000 0.247 201 V C 2.313 178.366 176.094 -0.067 0.000 1.048 201 V CA 1.309 63.619 62.300 0.017 0.000 1.049 201 V CB -1.169 30.742 31.823 0.147 0.000 0.672 201 V HN 0.065 nan 8.190 nan 0.000 0.457 202 L N 1.157 122.296 121.223 -0.141 0.000 2.046 202 L HA -0.062 4.278 4.340 -0.000 0.000 0.208 202 L C 2.455 179.182 176.870 -0.238 0.000 1.077 202 L CA 2.325 56.952 54.840 -0.355 0.000 0.747 202 L CB -0.846 40.673 42.059 -0.898 0.000 0.896 202 L HN 0.200 nan 8.230 nan 0.000 0.432 203 A N -0.354 122.378 122.820 -0.147 0.000 1.902 203 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 203 A C 2.460 180.051 177.584 0.012 0.000 1.181 203 A CA 1.874 53.902 52.037 -0.014 0.000 0.623 203 A CB -1.192 17.834 19.000 0.044 0.000 0.818 203 A HN 0.606 nan 8.150 nan 0.000 0.443 204 A N -0.445 122.351 122.820 -0.040 0.000 1.858 204 A HA 0.120 4.440 4.320 -0.000 0.000 0.216 204 A C 2.468 180.010 177.584 -0.069 0.000 1.190 204 A CA 2.007 54.006 52.037 -0.062 0.000 0.617 204 A CB -1.504 17.442 19.000 -0.090 0.000 0.827 204 A HN 0.752 nan 8.150 nan 0.000 0.443 205 G N 0.747 109.503 108.800 -0.072 0.000 2.446 205 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.217 205 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.217 205 G C 1.525 176.495 174.900 0.118 0.000 1.168 205 G CA 1.345 46.438 45.100 -0.013 0.000 0.771 205 G HN 0.890 nan 8.290 nan 0.000 0.551 206 I N -1.749 118.837 120.570 0.026 0.000 2.676 206 I HA 0.029 4.199 4.170 -0.000 0.000 0.259 206 I C 2.272 178.404 176.117 0.025 0.000 1.194 206 I CA 1.516 62.838 61.300 0.037 0.000 1.473 206 I CB -0.545 37.358 38.000 -0.163 0.000 1.096 206 I HN -0.065 nan 8.210 nan 0.000 0.443 207 T N 1.380 115.976 114.554 0.071 0.000 2.857 207 T HA 0.034 4.384 4.350 -0.000 0.000 0.266 207 T C 1.904 176.634 174.700 0.050 0.000 1.048 207 T CA 1.579 63.746 62.100 0.111 0.000 1.139 207 T CB -0.167 68.764 68.868 0.106 0.000 0.874 207 T HN 0.322 nan 8.240 nan 0.000 0.455 208 M N 0.383 119.969 119.600 -0.023 0.000 2.175 208 M HA 0.002 4.482 4.480 -0.000 0.000 0.264 208 M C 2.183 178.585 176.300 0.168 0.000 1.063 208 M CA 1.110 56.308 55.300 -0.170 0.000 1.119 208 M CB -0.354 31.861 32.600 -0.642 0.000 1.377 208 M HN 0.167 nan 8.290 nan 0.000 0.415 209 L N 0.436 121.887 121.223 0.380 0.000 2.093 209 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 209 L C 2.115 179.074 176.870 0.149 0.000 1.085 209 L CA 1.535 56.595 54.840 0.366 0.000 0.755 209 L CB -0.700 41.506 42.059 0.245 0.000 0.904 209 L HN 0.214 nan 8.230 nan 0.000 0.435 210 L N -0.656 120.611 121.223 0.073 0.000 2.046 210 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 210 L C 2.552 179.462 176.870 0.066 0.000 1.077 210 L CA 2.473 57.318 54.840 0.008 0.000 0.747 210 L CB -0.937 41.100 42.059 -0.036 0.000 0.896 210 L HN 0.597 nan 8.230 nan 0.000 0.432 211 T N -4.718 109.903 114.554 0.113 0.000 2.904 211 T HA -0.126 4.224 4.350 -0.000 0.000 0.267 211 T C 1.633 176.400 174.700 0.112 0.000 1.059 211 T CA 1.147 63.325 62.100 0.128 0.000 1.137 211 T CB -0.599 68.383 68.868 0.190 0.000 0.879 211 T HN 0.272 nan 8.240 nan 0.000 0.467 212 D N 1.307 121.790 120.400 0.138 0.000 2.178 212 D HA 0.024 4.664 4.640 -0.000 0.000 0.201 212 D C 2.447 178.792 176.300 0.075 0.000 0.980 212 D CA 0.835 54.894 54.000 0.099 0.000 0.842 212 D CB -0.139 40.751 40.800 0.150 0.000 0.948 212 D HN 0.440 nan 8.370 nan 0.000 0.472 213 R N -0.338 120.208 120.500 0.075 0.000 2.161 213 R HA 0.156 4.496 4.340 -0.000 0.000 0.213 213 R C 1.118 177.448 176.300 0.049 0.000 1.055 213 R CA 0.701 56.833 56.100 0.054 0.000 0.996 213 R CB 0.215 30.538 30.300 0.037 0.000 0.901 213 R HN 0.169 nan 8.270 nan 0.000 0.456 214 N N -0.824 117.908 118.700 0.054 0.000 2.211 214 N HA 0.112 4.852 4.740 -0.000 0.000 0.216 214 N C 0.723 176.263 175.510 0.049 0.000 1.240 214 N CA 0.256 53.339 53.050 0.055 0.000 0.895 214 N CB 1.139 39.669 38.487 0.071 0.000 1.102 214 N HN 0.093 nan 8.380 nan 0.000 0.498 215 L N 0.868 122.119 121.223 0.047 0.000 2.959 215 L HA 0.284 4.624 4.340 -0.000 0.000 0.259 215 L C -0.181 176.694 176.870 0.009 0.000 1.185 215 L CA -0.022 54.838 54.840 0.034 0.000 0.998 215 L CB 0.030 42.117 42.059 0.047 0.000 1.337 215 L HN -0.048 nan 8.230 nan 0.000 0.555 216 N N 0.678 119.380 118.700 0.005 0.000 2.741 216 N HA -0.138 4.602 4.740 -0.000 0.000 0.250 216 N C 0.509 175.981 175.510 -0.063 0.000 1.115 216 N CA 1.332 54.370 53.050 -0.020 0.000 0.724 216 N CB -1.378 37.099 38.487 -0.018 0.000 1.090 216 N HN 0.551 nan 8.380 nan 0.000 0.558 217 T N -2.591 111.917 114.554 -0.077 0.000 2.816 217 T HA 0.537 4.887 4.350 -0.000 0.000 0.282 217 T C 1.143 175.714 174.700 -0.215 0.000 0.993 217 T CA 0.270 62.240 62.100 -0.217 0.000 0.994 217 T CB 1.715 70.434 68.868 -0.249 0.000 1.025 217 T HN 0.254 nan 8.240 nan 0.000 0.529 218 T N -1.597 112.735 114.554 -0.370 0.000 3.697 218 T HA 0.323 4.673 4.350 -0.000 0.000 0.260 218 T C 0.582 175.116 174.700 -0.277 0.000 0.998 218 T CA -0.679 61.285 62.100 -0.228 0.000 1.128 218 T CB -0.996 67.785 68.868 -0.145 0.000 1.082 218 T HN 0.472 nan 8.240 nan 0.000 0.541 219 F N 0.746 120.492 119.950 -0.340 0.000 2.161 219 F HA 0.100 4.627 4.527 -0.000 0.000 0.300 219 F C 1.201 176.729 175.800 -0.454 0.000 1.089 219 F CA 1.132 58.801 58.000 -0.552 0.000 1.282 219 F CB -0.278 38.078 39.000 -1.073 0.000 1.010 219 F HN 0.372 nan 8.300 nan 0.000 0.485 220 F N -1.656 118.426 119.950 0.221 0.000 2.683 220 F HA 0.226 4.753 4.527 -0.000 0.000 0.306 220 F C 0.043 175.886 175.800 0.072 0.000 1.102 220 F CA -0.941 57.141 58.000 0.136 0.000 1.244 220 F CB -0.240 38.831 39.000 0.118 0.000 1.029 220 F HN -0.280 nan 8.300 nan 0.000 0.545 221 D N 1.685 122.176 120.400 0.151 0.000 2.392 221 D HA 0.265 4.905 4.640 -0.000 0.000 0.228 221 D C -1.991 174.344 176.300 0.058 0.000 1.074 221 D CA -2.479 51.575 54.000 0.090 0.000 0.838 221 D CB 2.126 42.953 40.800 0.045 0.000 1.067 221 D HN -0.095 nan 8.370 nan 0.000 0.511 222 P HA -0.121 nan 4.420 nan 0.000 0.218 222 P C 1.041 178.358 177.300 0.028 0.000 1.148 222 P CA 1.229 64.359 63.100 0.050 0.000 0.822 222 P CB 0.236 31.967 31.700 0.052 0.000 0.784 223 A N -0.237 122.597 122.820 0.022 0.000 1.978 223 A HA -0.090 4.230 4.320 -0.000 0.000 0.220 223 A C 2.225 179.806 177.584 -0.005 0.000 1.170 223 A CA 2.013 54.055 52.037 0.010 0.000 0.636 223 A CB -1.648 17.358 19.000 0.009 0.000 0.810 223 A HN 0.335 nan 8.150 nan 0.000 0.448 224 G N -2.768 106.022 108.800 -0.017 0.000 3.233 224 G HA2 0.412 4.372 3.960 -0.000 0.000 0.234 224 G HA3 0.412 4.372 3.960 -0.000 0.000 0.234 224 G C 0.997 175.872 174.900 -0.041 0.000 1.137 224 G CA 0.479 45.553 45.100 -0.042 0.000 0.763 224 G HN 1.609 nan 8.290 nan 0.000 0.549 225 G N -1.097 107.695 108.800 -0.013 0.000 2.157 225 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.239 225 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.239 225 G C 0.786 175.695 174.900 0.015 0.000 0.982 225 G CA 0.177 45.277 45.100 -0.000 0.000 0.650 225 G HN 0.976 nan 8.290 nan 0.000 0.527 226 G N -0.875 107.936 108.800 0.018 0.000 2.563 226 G HA2 0.510 4.470 3.960 -0.000 0.000 0.283 226 G HA3 0.510 4.470 3.960 -0.000 0.000 0.283 226 G C -0.751 174.225 174.900 0.127 0.000 1.309 226 G CA 0.553 45.691 45.100 0.063 0.000 1.022 226 G HN 0.477 nan 8.290 nan 0.000 0.501 227 D N -1.468 119.063 120.400 0.218 0.000 2.891 227 D HA 0.340 4.980 4.640 -0.000 0.000 0.224 227 D C -2.057 174.419 176.300 0.293 0.000 1.321 227 D CA -1.617 52.514 54.000 0.218 0.000 0.929 227 D CB 2.218 43.135 40.800 0.196 0.000 1.551 227 D HN -0.053 nan 8.370 nan 0.000 0.574 228 P HA -0.058 nan 4.420 nan 0.000 0.218 228 P C 1.594 178.875 177.300 -0.031 0.000 1.149 228 P CA 0.449 63.588 63.100 0.064 0.000 0.817 228 P CB 0.325 32.027 31.700 0.004 0.000 0.785 229 I N -1.223 119.360 120.570 0.021 0.000 2.454 229 I HA -0.157 4.013 4.170 -0.000 0.000 0.254 229 I C 2.113 178.267 176.117 0.062 0.000 1.156 229 I CA 1.030 62.315 61.300 -0.024 0.000 1.433 229 I CB -1.613 36.406 38.000 0.031 0.000 1.082 229 I HN 0.013 nan 8.210 nan 0.000 0.432 230 L N 0.610 121.967 121.223 0.222 0.000 2.046 230 L HA -0.255 4.085 4.340 -0.000 0.000 0.208 230 L C 2.620 179.605 176.870 0.193 0.000 1.077 230 L CA 1.807 56.845 54.840 0.330 0.000 0.747 230 L CB -1.155 41.170 42.059 0.443 0.000 0.896 230 L HN 0.244 nan 8.230 nan 0.000 0.432 231 Y N 0.272 120.435 120.300 -0.229 0.000 2.165 231 Y HA -0.311 4.239 4.550 -0.000 0.000 0.286 231 Y C 2.563 178.291 175.900 -0.286 0.000 1.155 231 Y CA 2.271 59.988 58.100 -0.638 0.000 1.164 231 Y CB -0.279 37.398 38.460 -1.304 0.000 0.978 231 Y HN 0.393 nan 8.280 nan 0.000 0.513 232 Q N -1.054 118.642 119.800 -0.174 0.000 2.096 232 Q HA -0.256 4.084 4.340 -0.000 0.000 0.204 232 Q C 2.076 178.140 176.000 0.107 0.000 0.982 232 Q CA 1.621 57.354 55.803 -0.116 0.000 0.850 232 Q CB -0.392 28.190 28.738 -0.260 0.000 0.901 232 Q HN 0.624 nan 8.270 nan 0.000 0.422 233 H N 0.509 119.676 119.070 0.163 0.000 2.321 233 H HA -0.073 4.483 4.556 -0.000 0.000 0.300 233 H C 2.221 177.554 175.328 0.008 0.000 1.087 233 H CA 1.184 57.377 56.048 0.242 0.000 1.319 233 H CB -0.170 29.731 29.762 0.232 0.000 1.379 233 H HN 0.213 nan 8.280 nan 0.000 0.501 234 L N -0.635 120.603 121.223 0.025 0.000 2.056 234 L HA -0.164 4.176 4.340 -0.000 0.000 0.207 234 L C 2.529 179.299 176.870 -0.168 0.000 1.078 234 L CA 0.998 55.770 54.840 -0.113 0.000 0.749 234 L CB -0.543 41.419 42.059 -0.161 0.000 0.901 234 L HN 0.099 nan 8.230 nan 0.000 0.433 235 F N -0.110 119.554 119.950 -0.476 0.000 2.075 235 F HA -0.229 4.298 4.527 -0.000 0.000 0.297 235 F C 2.047 177.635 175.800 -0.355 0.000 1.113 235 F CA 1.554 59.222 58.000 -0.553 0.000 1.218 235 F CB -0.394 38.084 39.000 -0.869 0.000 0.984 235 F HN -0.041 nan 8.300 nan 0.000 0.472 236 W N -1.104 120.264 121.300 0.112 0.000 2.519 236 W HA -0.110 4.550 4.660 -0.000 0.000 0.266 236 W C 2.224 178.722 176.519 -0.036 0.000 1.253 236 W CA 0.509 57.890 57.345 0.060 0.000 1.274 236 W CB -0.621 29.020 29.460 0.302 0.000 1.114 236 W HN 0.098 nan 8.180 nan 0.000 0.596 237 F N -0.047 119.819 119.950 -0.141 0.000 2.216 237 F HA -0.223 4.304 4.527 -0.000 0.000 0.300 237 F C 2.167 177.892 175.800 -0.124 0.000 1.085 237 F CA 1.691 59.476 58.000 -0.360 0.000 1.326 237 F CB -0.485 38.165 39.000 -0.583 0.000 1.027 237 F HN -0.028 nan 8.300 nan 0.000 0.497 238 F N 0.244 120.060 119.950 -0.224 0.000 2.262 238 F HA 0.210 4.737 4.527 -0.000 0.000 0.292 238 F C 2.269 177.857 175.800 -0.353 0.000 1.081 238 F CA 1.311 59.137 58.000 -0.290 0.000 1.355 238 F CB -1.212 37.591 39.000 -0.329 0.000 1.069 238 F HN -0.104 nan 8.300 nan 0.000 0.506 239 G N -0.341 107.961 108.800 -0.830 0.000 2.513 239 G HA2 -0.403 3.557 3.960 -0.000 0.000 0.219 239 G HA3 -0.403 3.557 3.960 -0.000 0.000 0.219 239 G C 1.490 176.181 174.900 -0.349 0.000 1.160 239 G CA 1.546 46.199 45.100 -0.745 0.000 0.767 239 G HN 0.563 nan 8.290 nan 0.000 0.571 240 H N 1.645 120.689 119.070 -0.042 0.000 2.326 240 H HA 0.020 4.576 4.556 -0.000 0.000 0.301 240 H C 0.248 175.526 175.328 -0.083 0.000 1.081 240 H CA 1.511 57.599 56.048 0.067 0.000 1.334 240 H CB -0.649 29.235 29.762 0.204 0.000 1.385 240 H HN 0.275 nan 8.280 nan 0.000 0.504 241 P HA -0.174 nan 4.420 nan 0.000 0.216 241 P C 1.264 178.294 177.300 -0.450 0.000 1.150 241 P CA 2.010 64.810 63.100 -0.500 0.000 0.843 241 P CB 0.027 31.199 31.700 -0.879 0.000 0.787 242 E N -0.003 119.784 120.200 -0.689 0.000 2.085 242 E HA -0.176 4.174 4.350 -0.000 0.000 0.194 242 E C 1.723 178.035 176.600 -0.481 0.000 0.994 242 E CA 1.604 57.611 56.400 -0.656 0.000 0.801 242 E CB -1.221 27.865 29.700 -1.023 0.000 0.743 242 E HN 0.129 nan 8.360 nan 0.000 0.453 243 V N -1.204 118.389 119.914 -0.535 0.000 2.515 243 V HA -0.198 3.922 4.120 -0.000 0.000 0.250 243 V C 1.894 177.628 176.094 -0.600 0.000 1.058 243 V CA 1.721 63.687 62.300 -0.557 0.000 1.064 243 V CB -1.095 30.380 31.823 -0.580 0.000 0.675 243 V HN 0.241 nan 8.190 nan 0.000 0.461 244 Y N 0.278 120.398 120.300 -0.300 0.000 2.337 244 Y HA 0.192 4.742 4.550 -0.000 0.000 0.293 244 Y C 2.363 178.141 175.900 -0.203 0.000 1.123 244 Y CA 1.419 59.410 58.100 -0.182 0.000 1.201 244 Y CB -0.385 38.017 38.460 -0.096 0.000 1.011 244 Y HN 0.180 nan 8.280 nan 0.000 0.545 245 I N -0.488 120.003 120.570 -0.131 0.000 2.286 245 I HA -0.299 3.871 4.170 -0.000 0.000 0.248 245 I C 1.839 177.856 176.117 -0.167 0.000 1.115 245 I CA 1.304 62.524 61.300 -0.134 0.000 1.392 245 I CB -0.279 37.628 38.000 -0.154 0.000 1.065 245 I HN 0.223 nan 8.210 nan 0.000 0.418 246 L N -0.505 120.581 121.223 -0.228 0.000 2.217 246 L HA -0.143 4.197 4.340 -0.000 0.000 0.211 246 L C 2.250 179.012 176.870 -0.180 0.000 1.107 246 L CA 0.822 55.533 54.840 -0.214 0.000 0.783 246 L CB -0.108 41.784 42.059 -0.278 0.000 0.919 246 L HN 0.236 nan 8.230 nan 0.000 0.442 247 I N -1.133 119.293 120.570 -0.241 0.000 3.526 247 I HA -0.051 4.119 4.170 -0.000 0.000 0.294 247 I C 2.019 177.836 176.117 -0.500 0.000 1.229 247 I CA 0.785 61.887 61.300 -0.330 0.000 1.408 247 I CB 0.168 37.920 38.000 -0.413 0.000 1.127 247 I HN 0.008 nan 8.210 nan 0.000 0.439 248 L N 1.257 122.266 121.223 -0.356 0.000 1.997 248 L HA -0.196 4.144 4.340 -0.000 0.000 0.216 248 L C -0.426 176.421 176.870 -0.037 0.000 1.074 248 L CA 1.917 56.643 54.840 -0.191 0.000 0.763 248 L CB -1.884 40.157 42.059 -0.030 0.000 0.890 248 L HN 0.191 nan 8.230 nan 0.000 0.434 249 P HA -0.115 nan 4.420 nan 0.000 0.220 249 P C 1.486 178.887 177.300 0.168 0.000 1.148 249 P CA 1.575 64.713 63.100 0.063 0.000 0.803 249 P CB -0.152 31.578 31.700 0.050 0.000 0.782 250 G N -1.281 107.540 108.800 0.034 0.000 2.404 250 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.215 250 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.215 250 G C 1.454 176.347 174.900 -0.013 0.000 1.174 250 G CA 0.230 45.315 45.100 -0.024 0.000 0.780 250 G HN 0.230 nan 8.290 nan 0.000 0.537 251 F N 1.325 121.274 119.950 -0.002 0.000 2.126 251 F HA -0.093 4.434 4.527 -0.000 0.000 0.299 251 F C 3.014 178.950 175.800 0.226 0.000 1.096 251 F CA 0.331 58.416 58.000 0.141 0.000 1.255 251 F CB -0.149 39.014 39.000 0.273 0.000 0.997 251 F HN 0.274 nan 8.300 nan 0.000 0.479 252 G N 0.315 109.385 108.800 0.450 0.000 2.459 252 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.217 252 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.217 252 G C 1.577 176.783 174.900 0.510 0.000 1.183 252 G CA 0.808 46.216 45.100 0.514 0.000 0.776 252 G HN 0.211 nan 8.290 nan 0.000 0.552 253 M N 0.104 119.898 119.600 0.323 0.000 2.159 253 M HA 0.017 4.497 4.480 -0.000 0.000 0.263 253 M C 2.488 178.808 176.300 0.033 0.000 1.063 253 M CA 0.881 56.249 55.300 0.113 0.000 1.110 253 M CB -0.328 32.227 32.600 -0.076 0.000 1.374 253 M HN 0.106 nan 8.290 nan 0.000 0.411 254 I N 0.002 120.478 120.570 -0.155 0.000 2.208 254 I HA -0.233 3.937 4.170 -0.000 0.000 0.245 254 I C 2.454 178.420 176.117 -0.251 0.000 1.097 254 I CA 1.476 62.514 61.300 -0.437 0.000 1.363 254 I CB -1.304 36.047 38.000 -1.081 0.000 1.051 254 I HN 0.241 nan 8.210 nan 0.000 0.413 255 S N -0.472 115.295 115.700 0.110 0.000 2.370 255 S HA -0.195 4.275 4.470 -0.000 0.000 0.226 255 S C 1.888 176.642 174.600 0.257 0.000 1.033 255 S CA 1.079 59.494 58.200 0.359 0.000 1.011 255 S CB -0.431 63.099 63.200 0.550 0.000 0.852 255 S HN 0.509 nan 8.310 nan 0.000 0.457 256 H N 0.299 119.474 119.070 0.175 0.000 2.357 256 H HA 0.056 4.612 4.556 -0.000 0.000 0.301 256 H C 2.177 177.480 175.328 -0.041 0.000 1.082 256 H CA 1.358 57.501 56.048 0.158 0.000 1.342 256 H CB -0.172 29.771 29.762 0.302 0.000 1.389 256 H HN 0.341 nan 8.280 nan 0.000 0.511 257 I N 0.355 120.889 120.570 -0.061 0.000 2.179 257 I HA -0.236 3.934 4.170 -0.000 0.000 0.242 257 I C 2.540 178.655 176.117 -0.002 0.000 1.088 257 I CA 0.779 61.959 61.300 -0.200 0.000 1.357 257 I CB -0.192 37.679 38.000 -0.214 0.000 1.051 257 I HN 0.008 nan 8.210 nan 0.000 0.409 258 V N 0.453 120.350 119.914 -0.028 0.000 2.343 258 V HA -0.277 3.843 4.120 -0.000 0.000 0.247 258 V C 2.499 178.617 176.094 0.042 0.000 1.051 258 V CA 2.447 64.748 62.300 0.002 0.000 1.036 258 V CB -0.885 30.917 31.823 -0.035 0.000 0.654 258 V HN 0.477 nan 8.190 nan 0.000 0.451 259 T N -1.158 113.433 114.554 0.061 0.000 2.708 259 T HA -0.225 4.125 4.350 -0.000 0.000 0.266 259 T C 1.728 176.410 174.700 -0.029 0.000 1.037 259 T CA 2.048 64.176 62.100 0.046 0.000 1.146 259 T CB -0.369 68.536 68.868 0.061 0.000 0.865 259 T HN 0.538 nan 8.240 nan 0.000 0.435 260 Y N 0.791 120.977 120.300 -0.191 0.000 2.070 260 Y HA -0.220 4.330 4.550 -0.000 0.000 0.280 260 Y C 1.844 177.461 175.900 -0.472 0.000 1.148 260 Y CA 1.434 59.310 58.100 -0.374 0.000 1.125 260 Y CB -0.388 37.715 38.460 -0.596 0.000 0.975 260 Y HN 0.247 nan 8.280 nan 0.000 0.492 261 Y N -1.030 119.280 120.300 0.017 0.000 2.578 261 Y HA 0.002 4.552 4.550 -0.000 0.000 0.297 261 Y C 2.160 177.960 175.900 -0.167 0.000 1.176 261 Y CA 0.858 58.910 58.100 -0.080 0.000 1.315 261 Y CB -0.200 38.209 38.460 -0.083 0.000 1.031 261 Y HN 0.026 nan 8.280 nan 0.000 0.524 262 S N -1.016 114.641 115.700 -0.072 0.000 2.556 262 S HA 0.204 4.673 4.470 -0.000 0.000 0.216 262 S C 1.722 176.251 174.600 -0.119 0.000 0.970 262 S CA 0.546 58.693 58.200 -0.088 0.000 0.912 262 S CB -0.101 63.073 63.200 -0.042 0.000 0.790 262 S HN 0.645 nan 8.310 nan 0.000 0.504 263 G N 1.724 110.407 108.800 -0.195 0.000 2.198 263 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.260 263 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.260 263 G C -0.086 174.715 174.900 -0.165 0.000 1.025 263 G CA 0.268 45.233 45.100 -0.225 0.000 0.769 263 G HN 0.364 nan 8.290 nan 0.000 0.507 264 K N -0.179 120.141 120.400 -0.133 0.000 2.098 264 K HA 0.559 4.879 4.320 -0.000 0.000 0.258 264 K C 1.466 178.027 176.600 -0.065 0.000 0.973 264 K CA -0.276 55.972 56.287 -0.065 0.000 0.898 264 K CB 0.919 33.416 32.500 -0.005 0.000 1.057 264 K HN 0.277 nan 8.250 nan 0.000 0.447 265 K N 1.318 121.699 120.400 -0.031 0.000 2.426 265 K HA 0.043 4.363 4.320 -0.000 0.000 0.193 265 K C -0.412 176.197 176.600 0.016 0.000 1.028 265 K CA 0.468 56.746 56.287 -0.015 0.000 1.047 265 K CB 0.165 32.659 32.500 -0.011 0.000 0.821 265 K HN 0.638 nan 8.250 nan 0.000 0.513 266 E N 0.458 120.677 120.200 0.032 0.000 2.401 266 E HA 0.320 4.670 4.350 -0.000 0.000 0.280 266 E C -3.122 173.542 176.600 0.108 0.000 1.039 266 E CA -2.260 54.177 56.400 0.062 0.000 0.814 266 E CB 1.457 31.183 29.700 0.044 0.000 1.275 266 E HN -0.169 nan 8.360 nan 0.000 0.448 267 P HA 0.144 nan 4.420 nan 0.000 0.277 267 P C -0.700 176.740 177.300 0.233 0.000 1.240 267 P CA -0.422 62.810 63.100 0.219 0.000 0.798 267 P CB 0.501 32.350 31.700 0.248 0.000 0.979 268 F N 1.853 121.875 119.950 0.121 0.000 2.529 268 F HA 0.354 4.881 4.527 -0.000 0.000 0.365 268 F C 1.336 177.184 175.800 0.080 0.000 1.102 268 F CA 1.219 59.276 58.000 0.096 0.000 1.271 268 F CB -0.096 38.960 39.000 0.093 0.000 1.120 268 F HN 0.702 nan 8.300 nan 0.000 0.579 269 G N 6.034 114.504 108.800 -0.551 0.000 2.372 269 G HA2 -0.401 3.559 3.960 -0.000 0.000 0.297 269 G HA3 -0.401 3.559 3.960 -0.000 0.000 0.297 269 G C 0.372 175.251 174.900 -0.036 0.000 1.005 269 G CA 0.646 45.555 45.100 -0.318 0.000 1.173 269 G HN 1.063 nan 8.290 nan 0.000 0.511 270 Y N 0.474 120.719 120.300 -0.093 0.000 2.069 270 Y HA -0.284 4.266 4.550 -0.000 0.000 0.278 270 Y C 2.658 178.530 175.900 -0.046 0.000 1.175 270 Y CA 2.703 60.790 58.100 -0.022 0.000 1.134 270 Y CB -0.085 38.384 38.460 0.015 0.000 0.965 270 Y HN 0.413 nan 8.280 nan 0.000 0.498 271 M N -0.146 119.482 119.600 0.046 0.000 2.229 271 M HA -0.095 4.385 4.480 -0.000 0.000 0.264 271 M C 2.422 178.653 176.300 -0.115 0.000 1.063 271 M CA 1.420 56.668 55.300 -0.085 0.000 1.114 271 M CB -1.907 30.673 32.600 -0.033 0.000 1.387 271 M HN 0.504 nan 8.290 nan 0.000 0.420 272 G N -0.212 108.543 108.800 -0.075 0.000 2.422 272 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.218 272 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.218 272 G C 1.543 176.473 174.900 0.051 0.000 1.140 272 G CA 0.431 45.537 45.100 0.010 0.000 0.775 272 G HN 0.262 nan 8.290 nan 0.000 0.545 273 M N 0.425 119.964 119.600 -0.101 0.000 2.156 273 M HA 0.032 4.512 4.480 -0.000 0.000 0.264 273 M C 2.744 178.895 176.300 -0.247 0.000 1.067 273 M CA 0.700 55.899 55.300 -0.168 0.000 1.131 273 M CB -0.978 31.519 32.600 -0.172 0.000 1.368 273 M HN 0.108 nan 8.290 nan 0.000 0.416 274 V N -0.976 118.676 119.914 -0.436 0.000 2.295 274 V HA -0.264 3.856 4.120 -0.000 0.000 0.246 274 V C 2.094 177.976 176.094 -0.354 0.000 1.049 274 V CA 1.844 63.745 62.300 -0.665 0.000 1.024 274 V CB -0.839 30.354 31.823 -1.050 0.000 0.648 274 V HN 0.627 nan 8.190 nan 0.000 0.447 275 W N 1.224 122.323 121.300 -0.334 0.000 2.335 275 W HA -0.227 4.433 4.660 -0.000 0.000 0.311 275 W C 2.444 178.883 176.519 -0.134 0.000 1.213 275 W CA 2.283 59.507 57.345 -0.201 0.000 1.274 275 W CB -0.482 28.884 29.460 -0.157 0.000 1.148 275 W HN 0.186 nan 8.180 nan 0.000 0.498 276 A N 0.466 123.189 122.820 -0.162 0.000 1.908 276 A HA -0.242 4.078 4.320 -0.000 0.000 0.218 276 A C 2.071 179.469 177.584 -0.311 0.000 1.181 276 A CA 2.296 54.105 52.037 -0.381 0.000 0.627 276 A CB -0.928 18.002 19.000 -0.118 0.000 0.818 276 A HN 0.439 nan 8.150 nan 0.000 0.445 277 M N -1.258 118.237 119.600 -0.175 0.000 2.175 277 M HA -0.106 4.374 4.480 -0.000 0.000 0.264 277 M C 2.365 178.626 176.300 -0.065 0.000 1.063 277 M CA 1.368 56.644 55.300 -0.039 0.000 1.119 277 M CB -0.440 32.181 32.600 0.035 0.000 1.377 277 M HN 0.425 nan 8.290 nan 0.000 0.415 278 M N -0.722 118.789 119.600 -0.149 0.000 2.132 278 M HA -0.128 4.352 4.480 -0.000 0.000 0.263 278 M C 2.253 178.484 176.300 -0.115 0.000 1.065 278 M CA 1.381 56.629 55.300 -0.087 0.000 1.122 278 M CB -0.593 31.947 32.600 -0.100 0.000 1.365 278 M HN 0.204 nan 8.290 nan 0.000 0.411 279 S N 1.107 116.599 115.700 -0.346 0.000 2.368 279 S HA -0.074 4.396 4.470 -0.000 0.000 0.225 279 S C 1.859 176.374 174.600 -0.141 0.000 1.030 279 S CA 1.141 59.144 58.200 -0.329 0.000 0.999 279 S CB -0.375 62.345 63.200 -0.800 0.000 0.844 279 S HN 0.362 nan 8.310 nan 0.000 0.459 280 I N 1.513 121.976 120.570 -0.179 0.000 2.226 280 I HA -0.155 4.015 4.170 -0.000 0.000 0.245 280 I C 2.665 178.674 176.117 -0.181 0.000 1.100 280 I CA 1.185 62.390 61.300 -0.158 0.000 1.374 280 I CB -0.768 37.222 38.000 -0.017 0.000 1.057 280 I HN 0.376 nan 8.210 nan 0.000 0.413 281 G N 0.463 109.242 108.800 -0.035 0.000 2.418 281 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.217 281 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.217 281 G C 1.570 176.556 174.900 0.143 0.000 1.158 281 G CA 0.545 45.670 45.100 0.043 0.000 0.771 281 G HN 0.326 nan 8.290 nan 0.000 0.545 282 F N 1.329 121.302 119.950 0.038 0.000 2.051 282 F HA 0.048 4.575 4.527 -0.000 0.000 0.296 282 F C 2.468 178.325 175.800 0.094 0.000 1.122 282 F CA 1.257 59.318 58.000 0.102 0.000 1.201 282 F CB -0.445 38.568 39.000 0.021 0.000 0.978 282 F HN 0.029 nan 8.300 nan 0.000 0.472 283 L N 0.213 121.354 121.223 -0.137 0.000 2.187 283 L HA -0.152 4.188 4.340 -0.000 0.000 0.213 283 L C 2.633 179.339 176.870 -0.273 0.000 1.100 283 L CA 1.128 55.823 54.840 -0.241 0.000 0.765 283 L CB -1.472 40.516 42.059 -0.119 0.000 0.904 283 L HN 0.397 nan 8.230 nan 0.000 0.437 284 G N -1.007 107.601 108.800 -0.320 0.000 2.535 284 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.218 284 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.218 284 G C 1.179 175.946 174.900 -0.222 0.000 1.122 284 G CA 0.213 45.123 45.100 -0.318 0.000 0.769 284 G HN 0.283 nan 8.290 nan 0.000 0.549 285 F N 0.041 119.885 119.950 -0.177 0.000 2.749 285 F HA 0.306 4.833 4.527 -0.000 0.000 0.300 285 F C 1.869 177.676 175.800 0.013 0.000 1.103 285 F CA -0.212 57.671 58.000 -0.196 0.000 1.342 285 F CB 0.433 39.298 39.000 -0.226 0.000 1.098 285 F HN 0.215 nan 8.300 nan 0.000 0.586 286 I N -1.923 118.745 120.570 0.163 0.000 3.856 286 I HA 0.256 4.426 4.170 -0.000 0.000 0.330 286 I C 0.357 176.602 176.117 0.213 0.000 1.546 286 I CA 0.021 61.497 61.300 0.294 0.000 1.132 286 I CB 0.139 38.198 38.000 0.099 0.000 1.157 286 I HN -0.101 nan 8.210 nan 0.000 0.440 287 V N -3.535 116.479 119.914 0.167 0.000 3.382 287 V HA 0.201 4.321 4.120 -0.000 0.000 0.296 287 V C 1.715 177.584 176.094 -0.376 0.000 1.529 287 V CA -0.129 62.154 62.300 -0.027 0.000 1.048 287 V CB -0.883 30.774 31.823 -0.276 0.000 0.878 287 V HN 0.704 nan 8.190 nan 0.000 0.442 288 W N 2.530 123.755 121.300 -0.126 0.000 2.313 288 W HA -0.104 4.556 4.660 -0.000 0.000 0.293 288 W C 1.802 178.085 176.519 -0.392 0.000 1.216 288 W CA 2.066 59.318 57.345 -0.154 0.000 1.223 288 W CB -0.894 28.642 29.460 0.127 0.000 1.138 288 W HN 0.256 nan 8.180 nan 0.000 0.535 289 A N 1.582 123.388 122.820 -1.689 0.000 2.239 289 A HA -0.161 4.159 4.320 -0.000 0.000 0.209 289 A C 1.787 178.579 177.584 -1.320 0.000 1.171 289 A CA 1.180 52.280 52.037 -1.561 0.000 0.768 289 A CB -1.839 15.857 19.000 -2.173 0.000 0.790 289 A HN 0.818 nan 8.150 nan 0.000 0.478 290 H N -3.201 115.140 119.070 -1.214 0.000 2.567 290 H HA 0.013 4.569 4.556 -0.000 0.000 0.276 290 H C 0.831 175.340 175.328 -1.366 0.000 1.016 290 H CA 0.830 55.878 56.048 -1.667 0.000 1.186 290 H CB -0.287 28.907 29.762 -0.947 0.000 1.351 290 H HN 0.646 nan 8.280 nan 0.000 0.605 291 H N 0.412 119.080 119.070 -0.671 0.000 2.551 291 H HA 0.217 4.773 4.556 -0.000 0.000 0.271 291 H C 0.574 175.561 175.328 -0.569 0.000 0.984 291 H CA 0.259 55.868 56.048 -0.732 0.000 1.164 291 H CB 0.574 29.360 29.762 -1.627 0.000 1.437 291 H HN 0.485 nan 8.280 nan 0.000 0.550 292 M N -0.401 118.888 119.600 -0.518 0.000 2.747 292 M HA 0.114 4.594 4.480 -0.000 0.000 0.402 292 M C 0.172 176.330 176.300 -0.238 0.000 1.238 292 M CA -0.206 54.898 55.300 -0.326 0.000 0.877 292 M CB 0.524 32.969 32.600 -0.258 0.000 1.424 292 M HN -0.091 nan 8.290 nan 0.000 0.511 293 F N 0.988 120.753 119.950 -0.307 0.000 2.408 293 F HA -0.081 4.446 4.527 -0.000 0.000 0.300 293 F C 2.545 178.230 175.800 -0.192 0.000 1.090 293 F CA 1.485 59.351 58.000 -0.224 0.000 1.427 293 F CB -0.737 38.146 39.000 -0.194 0.000 1.070 293 F HN 0.281 nan 8.300 nan 0.000 0.549 294 T N -3.713 110.789 114.554 -0.088 0.000 3.054 294 T HA 0.129 4.479 4.350 -0.000 0.000 0.255 294 T C 1.584 176.275 174.700 -0.015 0.000 1.035 294 T CA 0.673 62.743 62.100 -0.050 0.000 0.941 294 T CB -0.687 68.149 68.868 -0.054 0.000 1.026 294 T HN 0.094 nan 8.240 nan 0.000 0.533 295 V N -1.251 118.647 119.914 -0.026 0.000 3.380 295 V HA 0.519 4.639 4.120 -0.000 0.000 0.268 295 V C 1.375 177.484 176.094 0.025 0.000 1.168 295 V CA 0.348 62.648 62.300 -0.001 0.000 1.156 295 V CB -1.399 30.406 31.823 -0.030 0.000 0.785 295 V HN 0.852 nan 8.190 nan 0.000 0.487 296 G N 0.215 109.035 108.800 0.033 0.000 2.683 296 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.234 296 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.234 296 G C -0.482 174.455 174.900 0.061 0.000 1.135 296 G CA 0.088 45.215 45.100 0.045 0.000 0.975 296 G HN 0.464 nan 8.290 nan 0.000 0.511 297 M N 0.601 120.244 119.600 0.070 0.000 2.367 297 M HA 0.339 4.819 4.480 -0.000 0.000 0.339 297 M C 0.115 176.468 176.300 0.088 0.000 1.177 297 M CA -0.814 54.545 55.300 0.098 0.000 1.068 297 M CB 0.716 33.394 32.600 0.130 0.000 1.602 297 M HN 0.204 nan 8.290 nan 0.000 0.457 298 D N 1.288 121.746 120.400 0.096 0.000 2.449 298 D HA -0.061 4.579 4.640 -0.000 0.000 0.236 298 D C 0.893 177.238 176.300 0.075 0.000 1.149 298 D CA 0.076 54.122 54.000 0.078 0.000 0.878 298 D CB 0.988 41.837 40.800 0.081 0.000 1.198 298 D HN 0.374 nan 8.370 nan 0.000 0.446 299 V N 1.955 121.897 119.914 0.047 0.000 2.407 299 V HA -0.232 3.888 4.120 -0.000 0.000 0.248 299 V C 1.251 177.373 176.094 0.047 0.000 1.055 299 V CA 1.865 64.182 62.300 0.028 0.000 1.049 299 V CB -0.094 31.734 31.823 0.008 0.000 0.662 299 V HN 0.406 nan 8.190 nan 0.000 0.455 300 D N -0.494 119.942 120.400 0.060 0.000 2.144 300 D HA -0.117 4.523 4.640 -0.000 0.000 0.200 300 D C 2.253 178.628 176.300 0.125 0.000 0.978 300 D CA 1.843 55.885 54.000 0.070 0.000 0.833 300 D CB -0.439 40.392 40.800 0.052 0.000 0.961 300 D HN 0.444 nan 8.370 nan 0.000 0.470 301 T N 0.582 115.233 114.554 0.161 0.000 2.788 301 T HA -0.093 4.257 4.350 -0.000 0.000 0.268 301 T C 1.990 176.936 174.700 0.411 0.000 1.044 301 T CA 0.813 63.083 62.100 0.284 0.000 1.139 301 T CB 0.074 69.110 68.868 0.280 0.000 0.867 301 T HN 0.127 nan 8.240 nan 0.000 0.454 302 R N 0.664 121.323 120.500 0.266 0.000 2.092 302 R HA 0.056 4.396 4.340 -0.000 0.000 0.231 302 R C 2.782 179.151 176.300 0.114 0.000 1.119 302 R CA 1.196 57.425 56.100 0.215 0.000 0.970 302 R CB -0.385 29.899 30.300 -0.027 0.000 0.864 302 R HN 0.343 nan 8.270 nan 0.000 0.440 303 A N 0.431 123.292 122.820 0.069 0.000 1.902 303 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 303 A C 1.963 179.567 177.584 0.033 0.000 1.181 303 A CA 1.213 53.264 52.037 0.022 0.000 0.623 303 A CB -0.671 18.343 19.000 0.023 0.000 0.818 303 A HN 0.481 nan 8.150 nan 0.000 0.443 304 Y N -0.566 119.728 120.300 -0.009 0.000 2.114 304 Y HA -0.190 4.360 4.550 -0.000 0.000 0.284 304 Y C 1.868 177.680 175.900 -0.146 0.000 1.143 304 Y CA 1.838 59.864 58.100 -0.123 0.000 1.135 304 Y CB -0.650 37.662 38.460 -0.247 0.000 0.980 304 Y HN 0.233 nan 8.280 nan 0.000 0.499 305 F N 0.246 120.029 119.950 -0.278 0.000 2.269 305 F HA -0.170 4.357 4.527 -0.000 0.000 0.301 305 F C 2.471 178.220 175.800 -0.085 0.000 1.082 305 F CA 1.855 59.674 58.000 -0.301 0.000 1.360 305 F CB -0.927 38.042 39.000 -0.053 0.000 1.041 305 F HN 0.034 nan 8.300 nan 0.000 0.512 306 T N -1.108 113.548 114.554 0.170 0.000 2.737 306 T HA -0.150 4.200 4.350 -0.000 0.000 0.265 306 T C 2.270 176.950 174.700 -0.033 0.000 1.038 306 T CA 1.755 63.913 62.100 0.097 0.000 1.144 306 T CB -0.337 68.506 68.868 -0.041 0.000 0.866 306 T HN 0.176 nan 8.240 nan 0.000 0.434 307 S N 1.520 117.146 115.700 -0.124 0.000 2.355 307 S HA 0.006 4.476 4.470 -0.000 0.000 0.222 307 S C 2.580 177.071 174.600 -0.183 0.000 1.031 307 S CA 0.946 59.065 58.200 -0.135 0.000 0.993 307 S CB -0.581 62.546 63.200 -0.122 0.000 0.859 307 S HN 0.565 nan 8.310 nan 0.000 0.453 308 A N 1.459 124.049 122.820 -0.384 0.000 1.933 308 A HA -0.111 4.209 4.320 -0.000 0.000 0.218 308 A C 2.314 179.790 177.584 -0.180 0.000 1.175 308 A CA 2.015 53.838 52.037 -0.358 0.000 0.628 308 A CB -1.332 17.236 19.000 -0.721 0.000 0.814 308 A HN 0.475 nan 8.150 nan 0.000 0.444 309 T N 0.146 114.629 114.554 -0.117 0.000 2.746 309 T HA -0.135 4.215 4.350 -0.000 0.000 0.267 309 T C 1.925 176.622 174.700 -0.006 0.000 1.039 309 T CA 1.694 63.793 62.100 -0.001 0.000 1.142 309 T CB -0.309 68.642 68.868 0.137 0.000 0.866 309 T HN 0.440 nan 8.240 nan 0.000 0.444 310 M N 0.348 119.938 119.600 -0.017 0.000 2.213 310 M HA 0.017 4.497 4.480 -0.000 0.000 0.263 310 M C 2.174 178.481 176.300 0.012 0.000 1.062 310 M CA 1.394 56.692 55.300 -0.003 0.000 1.105 310 M CB -0.639 31.955 32.600 -0.010 0.000 1.385 310 M HN 0.235 nan 8.290 nan 0.000 0.417 311 I N 0.479 121.049 120.570 -0.001 0.000 2.423 311 I HA -0.295 3.875 4.170 -0.000 0.000 0.254 311 I C 2.119 178.255 176.117 0.031 0.000 1.151 311 I CA 1.152 62.465 61.300 0.022 0.000 1.421 311 I CB -0.410 37.599 38.000 0.015 0.000 1.079 311 I HN 0.291 nan 8.210 nan 0.000 0.431 312 I N 0.888 121.468 120.570 0.016 0.000 2.567 312 I HA -0.267 3.903 4.170 -0.000 0.000 0.257 312 I C 2.748 178.912 176.117 0.078 0.000 1.184 312 I CA 1.014 62.329 61.300 0.025 0.000 1.451 312 I CB -0.526 37.492 38.000 0.031 0.000 1.089 312 I HN 0.198 nan 8.210 nan 0.000 0.441 313 A N 1.278 124.148 122.820 0.083 0.000 1.972 313 A HA -0.151 4.169 4.320 -0.000 0.000 0.219 313 A C 2.265 179.910 177.584 0.102 0.000 1.169 313 A CA 1.295 53.390 52.037 0.096 0.000 0.635 313 A CB -0.580 18.466 19.000 0.075 0.000 0.810 313 A HN 0.375 nan 8.150 nan 0.000 0.446 314 I N 0.415 121.049 120.570 0.107 0.000 2.090 314 I HA -0.153 4.017 4.170 -0.000 0.000 0.236 314 I C -0.261 175.960 176.117 0.173 0.000 1.064 314 I CA 1.541 62.935 61.300 0.156 0.000 1.324 314 I CB -1.320 36.789 38.000 0.181 0.000 1.044 314 I HN 0.226 nan 8.210 nan 0.000 0.399 315 P HA -0.138 nan 4.420 nan 0.000 0.216 315 P C 1.547 178.839 177.300 -0.014 0.000 1.150 315 P CA 1.723 64.812 63.100 -0.019 0.000 0.837 315 P CB -0.310 31.155 31.700 -0.392 0.000 0.786 316 T N -0.370 114.196 114.554 0.020 0.000 2.788 316 T HA -0.068 4.282 4.350 -0.000 0.000 0.268 316 T C 2.161 176.813 174.700 -0.081 0.000 1.044 316 T CA 1.735 63.844 62.100 0.016 0.000 1.139 316 T CB -1.125 67.878 68.868 0.225 0.000 0.867 316 T HN 0.210 nan 8.240 nan 0.000 0.454 317 G N 1.068 109.857 108.800 -0.019 0.000 2.418 317 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.217 317 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.217 317 G C 1.685 176.532 174.900 -0.088 0.000 1.158 317 G CA 0.679 45.712 45.100 -0.113 0.000 0.771 317 G HN 0.431 nan 8.290 nan 0.000 0.545 318 V N 0.713 120.669 119.914 0.070 0.000 2.392 318 V HA -0.195 3.925 4.120 -0.000 0.000 0.249 318 V C 2.810 178.830 176.094 -0.124 0.000 1.059 318 V CA 2.181 64.546 62.300 0.107 0.000 1.051 318 V CB -0.338 31.625 31.823 0.233 0.000 0.658 318 V HN 0.386 nan 8.190 nan 0.000 0.455 319 K N -0.465 119.712 120.400 -0.371 0.000 2.025 319 K HA -0.099 4.221 4.320 -0.000 0.000 0.207 319 K C 2.115 178.035 176.600 -1.133 0.000 1.049 319 K CA 1.313 57.074 56.287 -0.877 0.000 0.933 319 K CB -0.443 31.361 32.500 -1.160 0.000 0.714 319 K HN 0.326 nan 8.250 nan 0.000 0.438 320 V N 1.257 120.732 119.914 -0.732 0.000 2.255 320 V HA -0.248 3.872 4.120 -0.000 0.000 0.247 320 V C 2.068 178.035 176.094 -0.211 0.000 1.051 320 V CA 1.872 63.959 62.300 -0.355 0.000 1.018 320 V CB -0.586 31.023 31.823 -0.357 0.000 0.641 320 V HN 0.218 nan 8.190 nan 0.000 0.445 321 F N 0.128 120.045 119.950 -0.055 0.000 2.293 321 F HA -0.134 4.393 4.527 -0.000 0.000 0.300 321 F C 2.582 178.318 175.800 -0.107 0.000 1.086 321 F CA 1.155 59.125 58.000 -0.050 0.000 1.375 321 F CB -0.340 38.629 39.000 -0.051 0.000 1.045 321 F HN 0.073 nan 8.300 nan 0.000 0.516 322 S N -1.039 114.662 115.700 0.001 0.000 2.406 322 S HA -0.129 4.341 4.470 -0.000 0.000 0.228 322 S C 1.658 176.319 174.600 0.101 0.000 1.020 322 S CA 0.565 58.790 58.200 0.043 0.000 0.965 322 S CB -0.269 62.971 63.200 0.067 0.000 0.798 322 S HN 0.398 nan 8.310 nan 0.000 0.488 323 W N 1.909 123.253 121.300 0.073 0.000 2.388 323 W HA 0.140 4.800 4.660 -0.000 0.000 0.294 323 W C 1.840 178.390 176.519 0.053 0.000 1.212 323 W CA 0.201 57.586 57.345 0.066 0.000 1.271 323 W CB -1.152 28.343 29.460 0.057 0.000 1.126 323 W HN 0.304 nan 8.180 nan 0.000 0.535 324 L N 0.032 121.419 121.223 0.274 0.000 2.093 324 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 324 L C 2.560 179.466 176.870 0.060 0.000 1.085 324 L CA 1.352 56.294 54.840 0.170 0.000 0.755 324 L CB -1.284 40.885 42.059 0.183 0.000 0.904 324 L HN -0.159 nan 8.230 nan 0.000 0.435 325 A N -0.616 122.157 122.820 -0.079 0.000 2.067 325 A HA -0.121 4.199 4.320 -0.000 0.000 0.219 325 A C 2.299 179.854 177.584 -0.048 0.000 1.158 325 A CA 1.799 53.639 52.037 -0.328 0.000 0.661 325 A CB -0.604 17.675 19.000 -1.202 0.000 0.801 325 A HN 0.355 nan 8.150 nan 0.000 0.452 326 T N 0.184 114.811 114.554 0.121 0.000 2.896 326 T HA 0.031 4.381 4.350 -0.000 0.000 0.263 326 T C 1.736 176.514 174.700 0.129 0.000 1.050 326 T CA 1.058 63.279 62.100 0.201 0.000 1.140 326 T CB -0.254 68.767 68.868 0.255 0.000 0.877 326 T HN 0.379 nan 8.240 nan 0.000 0.457 327 L N 0.180 121.470 121.223 0.111 0.000 2.093 327 L HA 0.012 4.352 4.340 -0.000 0.000 0.208 327 L C 1.294 178.204 176.870 0.066 0.000 1.085 327 L CA 0.492 55.365 54.840 0.056 0.000 0.755 327 L CB -0.631 41.457 42.059 0.048 0.000 0.904 327 L HN 0.320 nan 8.230 nan 0.000 0.435 328 H N 0.666 119.730 119.070 -0.010 0.000 3.157 328 H HA 0.162 4.718 4.556 -0.000 0.000 0.299 328 H C 1.127 176.455 175.328 -0.001 0.000 0.961 328 H CA 0.388 56.427 56.048 -0.016 0.000 1.428 328 H CB 0.196 29.929 29.762 -0.048 0.000 1.459 328 H HN 0.307 nan 8.280 nan 0.000 0.566 329 G N 2.997 111.559 108.800 -0.397 0.000 2.162 329 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.260 329 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.260 329 G C 0.687 175.499 174.900 -0.146 0.000 0.976 329 G CA 0.348 45.248 45.100 -0.333 0.000 0.655 329 G HN 1.030 nan 8.290 nan 0.000 0.533 330 G N -0.522 108.220 108.800 -0.096 0.000 2.507 330 G HA2 0.435 4.395 3.960 -0.000 0.000 0.271 330 G HA3 0.435 4.395 3.960 -0.000 0.000 0.271 330 G C 0.049 174.902 174.900 -0.078 0.000 1.189 330 G CA 0.112 45.165 45.100 -0.077 0.000 0.859 330 G HN 0.503 nan 8.290 nan 0.000 0.542 331 N N 1.161 119.815 118.700 -0.078 0.000 2.719 331 N HA 0.056 4.796 4.740 -0.000 0.000 0.243 331 N C 0.330 175.790 175.510 -0.083 0.000 1.104 331 N CA -0.676 52.336 53.050 -0.064 0.000 0.981 331 N CB -0.060 38.390 38.487 -0.061 0.000 1.290 331 N HN 0.150 nan 8.380 nan 0.000 0.513 332 I N 1.677 122.181 120.570 -0.109 0.000 2.664 332 I HA -0.042 4.128 4.170 -0.000 0.000 0.284 332 I C 0.828 176.831 176.117 -0.191 0.000 1.154 332 I CA 0.085 61.247 61.300 -0.231 0.000 1.402 332 I CB -0.431 37.311 38.000 -0.429 0.000 1.395 332 I HN 0.379 nan 8.210 nan 0.000 0.545 333 K N 7.175 127.496 120.400 -0.132 0.000 2.292 333 K HA 0.194 4.514 4.320 -0.000 0.000 0.270 333 K C -0.778 175.784 176.600 -0.063 0.000 1.062 333 K CA -0.252 56.047 56.287 0.020 0.000 0.916 333 K CB 0.191 32.801 32.500 0.183 0.000 1.166 333 K HN 0.358 nan 8.250 nan 0.000 0.458 334 W N 4.654 125.929 121.300 -0.042 0.000 1.435 334 W HA 0.092 4.752 4.660 -0.000 0.000 0.471 334 W C 0.332 176.747 176.519 -0.173 0.000 0.590 334 W CA -0.475 56.800 57.345 -0.117 0.000 2.419 334 W CB -0.535 28.864 29.460 -0.103 0.000 1.251 334 W HN 0.534 nan 8.180 nan 0.000 0.338 335 S N -0.363 115.266 115.700 -0.118 0.000 2.614 335 S HA 0.256 4.726 4.470 -0.000 0.000 0.265 335 S C -1.426 173.014 174.600 -0.268 0.000 1.303 335 S CA -1.080 56.984 58.200 -0.226 0.000 1.000 335 S CB 1.459 64.341 63.200 -0.530 0.000 0.935 335 S HN -0.028 nan 8.310 nan 0.000 0.551 336 P HA -0.036 nan 4.420 nan 0.000 0.215 336 P C 1.579 178.826 177.300 -0.088 0.000 1.153 336 P CA 1.872 64.909 63.100 -0.104 0.000 0.853 336 P CB -0.256 31.498 31.700 0.090 0.000 0.788 337 A N -0.833 121.907 122.820 -0.134 0.000 1.902 337 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 337 A C 2.224 179.675 177.584 -0.221 0.000 1.181 337 A CA 2.129 54.116 52.037 -0.082 0.000 0.623 337 A CB -1.452 17.454 19.000 -0.156 0.000 0.818 337 A HN 0.122 nan 8.150 nan 0.000 0.443 338 M N -0.518 118.766 119.600 -0.527 0.000 2.159 338 M HA -0.056 4.424 4.480 -0.000 0.000 0.263 338 M C 2.027 178.155 176.300 -0.286 0.000 1.063 338 M CA 1.772 56.848 55.300 -0.374 0.000 1.110 338 M CB -0.613 31.722 32.600 -0.442 0.000 1.374 338 M HN 0.421 nan 8.290 nan 0.000 0.411 339 M N -1.863 117.486 119.600 -0.418 0.000 2.117 339 M HA -0.220 4.260 4.480 -0.000 0.000 0.262 339 M C 1.943 177.810 176.300 -0.722 0.000 1.065 339 M CA 1.944 56.794 55.300 -0.751 0.000 1.114 339 M CB -0.662 31.155 32.600 -1.306 0.000 1.361 339 M HN 0.389 nan 8.290 nan 0.000 0.408 340 W N 0.147 121.223 121.300 -0.374 0.000 2.363 340 W HA -0.153 4.507 4.660 -0.000 0.000 0.296 340 W C 2.698 179.371 176.519 0.257 0.000 1.212 340 W CA 1.188 58.573 57.345 0.067 0.000 1.260 340 W CB -0.414 29.069 29.460 0.039 0.000 1.131 340 W HN 0.230 nan 8.180 nan 0.000 0.530 341 A N -0.085 122.895 122.820 0.267 0.000 1.898 341 A HA -0.138 4.182 4.320 -0.000 0.000 0.216 341 A C 1.920 179.636 177.584 0.219 0.000 1.181 341 A CA 1.325 53.458 52.037 0.159 0.000 0.620 341 A CB -0.928 18.045 19.000 -0.045 0.000 0.819 341 A HN 0.289 nan 8.150 nan 0.000 0.442 342 L N -0.823 120.489 121.223 0.148 0.000 2.093 342 L HA -0.068 4.272 4.340 -0.000 0.000 0.208 342 L C 2.824 179.908 176.870 0.357 0.000 1.085 342 L CA 0.973 55.919 54.840 0.178 0.000 0.755 342 L CB -0.766 41.328 42.059 0.059 0.000 0.904 342 L HN 0.480 nan 8.230 nan 0.000 0.435 343 G N -0.180 108.919 108.800 0.498 0.000 2.418 343 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.217 343 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.217 343 G C 1.484 176.733 174.900 0.581 0.000 1.158 343 G CA 0.593 46.142 45.100 0.748 0.000 0.771 343 G HN 0.292 nan 8.290 nan 0.000 0.545 344 F N 1.615 121.867 119.950 0.503 0.000 2.069 344 F HA -0.101 4.426 4.527 -0.000 0.000 0.298 344 F C 2.507 178.470 175.800 0.272 0.000 1.113 344 F CA 1.525 59.718 58.000 0.322 0.000 1.214 344 F CB -0.315 38.847 39.000 0.270 0.000 0.978 344 F HN 0.111 nan 8.300 nan 0.000 0.474 345 I N -0.708 120.172 120.570 0.518 0.000 2.194 345 I HA -0.336 3.834 4.170 -0.000 0.000 0.246 345 I C 2.367 178.705 176.117 0.368 0.000 1.093 345 I CA 1.739 63.304 61.300 0.442 0.000 1.355 345 I CB -0.684 37.556 38.000 0.398 0.000 1.046 345 I HN 0.249 nan 8.210 nan 0.000 0.413 346 F N 1.490 121.566 119.950 0.211 0.000 2.098 346 F HA -0.105 4.422 4.527 -0.000 0.000 0.294 346 F C 2.201 178.073 175.800 0.120 0.000 1.107 346 F CA 1.505 59.611 58.000 0.176 0.000 1.234 346 F CB -0.394 38.734 39.000 0.213 0.000 1.002 346 F HN -0.148 nan 8.300 nan 0.000 0.472 347 L N -1.038 120.151 121.223 -0.058 0.000 2.083 347 L HA -0.197 4.143 4.340 -0.000 0.000 0.209 347 L C 2.448 179.196 176.870 -0.204 0.000 1.083 347 L CA 1.424 56.147 54.840 -0.195 0.000 0.752 347 L CB -0.977 40.917 42.059 -0.275 0.000 0.899 347 L HN 0.222 nan 8.230 nan 0.000 0.433 348 F N 0.870 120.589 119.950 -0.384 0.000 2.146 348 F HA -0.211 4.316 4.527 -0.000 0.000 0.298 348 F C 2.451 178.154 175.800 -0.162 0.000 1.096 348 F CA 1.882 59.663 58.000 -0.365 0.000 1.275 348 F CB -0.352 38.262 39.000 -0.644 0.000 1.008 348 F HN -0.104 nan 8.300 nan 0.000 0.480 349 T N 0.284 114.771 114.554 -0.111 0.000 2.746 349 T HA -0.173 4.177 4.350 -0.000 0.000 0.267 349 T C 2.153 176.677 174.700 -0.292 0.000 1.039 349 T CA 1.642 63.656 62.100 -0.143 0.000 1.142 349 T CB -0.608 68.271 68.868 0.019 0.000 0.866 349 T HN 0.136 nan 8.240 nan 0.000 0.444 350 V N 1.288 120.967 119.914 -0.392 0.000 2.255 350 V HA -0.136 3.984 4.120 -0.000 0.000 0.247 350 V C 2.858 178.731 176.094 -0.369 0.000 1.051 350 V CA 2.128 64.165 62.300 -0.438 0.000 1.018 350 V CB -1.323 30.131 31.823 -0.616 0.000 0.641 350 V HN 0.597 nan 8.190 nan 0.000 0.445 351 G N -0.333 108.266 108.800 -0.336 0.000 2.422 351 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.218 351 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.218 351 G C 1.617 176.396 174.900 -0.201 0.000 1.146 351 G CA 0.914 45.863 45.100 -0.251 0.000 0.769 351 G HN 0.598 nan 8.290 nan 0.000 0.547 352 G N 0.887 109.429 108.800 -0.430 0.000 2.418 352 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.217 352 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.217 352 G C 1.796 176.621 174.900 -0.125 0.000 1.158 352 G CA 0.692 45.599 45.100 -0.323 0.000 0.771 352 G HN 0.423 nan 8.290 nan 0.000 0.545 353 L N 1.179 122.317 121.223 -0.142 0.000 2.093 353 L HA -0.064 4.276 4.340 -0.000 0.000 0.208 353 L C 3.287 180.125 176.870 -0.054 0.000 1.085 353 L CA 1.662 56.452 54.840 -0.084 0.000 0.755 353 L CB -0.683 41.322 42.059 -0.091 0.000 0.904 353 L HN 0.413 nan 8.230 nan 0.000 0.435 354 T N -3.732 110.794 114.554 -0.048 0.000 2.995 354 T HA -0.049 4.301 4.350 -0.000 0.000 0.269 354 T C 1.908 176.581 174.700 -0.045 0.000 1.091 354 T CA 0.799 62.912 62.100 0.021 0.000 1.128 354 T CB -0.581 68.254 68.868 -0.054 0.000 0.891 354 T HN 0.374 nan 8.240 nan 0.000 0.492 355 G N 1.701 110.424 108.800 -0.127 0.000 2.408 355 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.217 355 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.217 355 G C 1.459 176.227 174.900 -0.219 0.000 1.150 355 G CA 0.446 45.286 45.100 -0.432 0.000 0.776 355 G HN 0.455 nan 8.290 nan 0.000 0.542 356 I N 0.936 121.447 120.570 -0.098 0.000 2.394 356 I HA -0.071 4.099 4.170 -0.000 0.000 0.251 356 I C 2.826 178.905 176.117 -0.063 0.000 1.136 356 I CA 0.629 61.892 61.300 -0.063 0.000 1.425 356 I CB -0.635 37.348 38.000 -0.027 0.000 1.079 356 I HN 0.030 nan 8.210 nan 0.000 0.425 357 V N 0.951 120.836 119.914 -0.049 0.000 2.307 357 V HA -0.229 3.891 4.120 -0.000 0.000 0.245 357 V C 2.503 178.543 176.094 -0.090 0.000 1.045 357 V CA 1.355 63.626 62.300 -0.049 0.000 1.024 357 V CB -0.448 31.380 31.823 0.008 0.000 0.651 357 V HN 0.307 nan 8.190 nan 0.000 0.449 358 L N 0.187 121.350 121.223 -0.100 0.000 2.201 358 L HA -0.101 4.239 4.340 -0.000 0.000 0.212 358 L C 2.645 179.469 176.870 -0.078 0.000 1.105 358 L CA 1.168 55.935 54.840 -0.121 0.000 0.775 358 L CB -0.733 41.208 42.059 -0.197 0.000 0.913 358 L HN 0.348 nan 8.230 nan 0.000 0.440 359 A N -0.322 122.441 122.820 -0.095 0.000 1.978 359 A HA -0.143 4.177 4.320 -0.000 0.000 0.220 359 A C 1.048 178.671 177.584 0.065 0.000 1.170 359 A CA 1.009 53.047 52.037 0.002 0.000 0.636 359 A CB -0.589 18.391 19.000 -0.034 0.000 0.810 359 A HN 0.435 nan 8.150 nan 0.000 0.448 360 N N 1.291 119.963 118.700 -0.047 0.000 2.402 360 N HA 0.072 4.812 4.740 -0.000 0.000 0.259 360 N C 1.271 176.636 175.510 -0.242 0.000 1.167 360 N CA 0.711 53.684 53.050 -0.129 0.000 0.949 360 N CB 1.027 39.446 38.487 -0.112 0.000 1.212 360 N HN 0.564 nan 8.380 nan 0.000 0.493 361 S N 1.444 116.814 115.700 -0.550 0.000 2.387 361 S HA -0.205 4.265 4.470 -0.000 0.000 0.230 361 S C 1.855 176.195 174.600 -0.433 0.000 1.035 361 S CA 1.266 58.903 58.200 -0.938 0.000 1.014 361 S CB -0.105 62.140 63.200 -1.591 0.000 0.836 361 S HN 0.417 nan 8.310 nan 0.000 0.466 362 S N 2.069 117.592 115.700 -0.294 0.000 2.359 362 S HA 0.074 4.544 4.470 -0.000 0.000 0.224 362 S C 1.830 176.345 174.600 -0.142 0.000 1.035 362 S CA 1.564 59.655 58.200 -0.181 0.000 1.018 362 S CB -0.575 62.542 63.200 -0.138 0.000 0.876 362 S HN 0.488 nan 8.310 nan 0.000 0.448 363 L N 0.901 122.038 121.223 -0.143 0.000 2.156 363 L HA -0.088 4.252 4.340 -0.000 0.000 0.208 363 L C 2.250 179.049 176.870 -0.119 0.000 1.095 363 L CA 1.135 55.895 54.840 -0.133 0.000 0.770 363 L CB -0.482 41.485 42.059 -0.153 0.000 0.914 363 L HN 0.269 nan 8.230 nan 0.000 0.439 364 D N 0.209 120.550 120.400 -0.098 0.000 2.218 364 D HA -0.197 4.443 4.640 -0.000 0.000 0.204 364 D C 2.130 178.451 176.300 0.034 0.000 0.976 364 D CA 0.809 54.806 54.000 -0.006 0.000 0.853 364 D CB 0.216 41.094 40.800 0.131 0.000 0.939 364 D HN 0.079 nan 8.370 nan 0.000 0.481 365 I N 0.261 120.819 120.570 -0.020 0.000 2.208 365 I HA -0.208 3.962 4.170 -0.000 0.000 0.245 365 I C 2.263 178.399 176.117 0.033 0.000 1.097 365 I CA 0.856 62.162 61.300 0.010 0.000 1.363 365 I CB -1.144 36.839 38.000 -0.028 0.000 1.051 365 I HN 0.074 nan 8.210 nan 0.000 0.413 366 V N 0.298 120.206 119.914 -0.009 0.000 2.649 366 V HA -0.092 4.028 4.120 -0.000 0.000 0.248 366 V C 2.312 178.394 176.094 -0.021 0.000 1.054 366 V CA 0.917 63.209 62.300 -0.014 0.000 1.073 366 V CB -0.347 31.451 31.823 -0.042 0.000 0.699 366 V HN 0.299 nan 8.190 nan 0.000 0.463 367 L N -1.089 120.108 121.223 -0.044 0.000 2.416 367 L HA 0.182 4.522 4.340 -0.000 0.000 0.216 367 L C 1.278 178.160 176.870 0.021 0.000 1.098 367 L CA 0.025 54.828 54.840 -0.062 0.000 0.840 367 L CB -0.401 41.532 42.059 -0.210 0.000 0.981 367 L HN 0.373 nan 8.230 nan 0.000 0.462 368 H N 1.132 120.195 119.070 -0.011 0.000 2.972 368 H HA -0.092 4.464 4.556 -0.000 0.000 0.343 368 H C 0.458 175.798 175.328 0.019 0.000 1.054 368 H CA 0.568 56.625 56.048 0.016 0.000 1.412 368 H CB 0.215 29.997 29.762 0.034 0.000 1.385 368 H HN 0.107 nan 8.280 nan 0.000 0.600 369 D N 2.094 122.043 120.400 -0.753 0.000 2.911 369 D HA -0.205 4.435 4.640 -0.000 0.000 0.227 369 D C -0.383 175.775 176.300 -0.237 0.000 1.164 369 D CA 1.442 55.147 54.000 -0.492 0.000 0.782 369 D CB -0.859 39.681 40.800 -0.433 0.000 1.094 369 D HN 0.756 nan 8.370 nan 0.000 0.425 370 T N -4.223 110.231 114.554 -0.167 0.000 2.910 370 T HA 0.429 4.779 4.350 -0.000 0.000 0.287 370 T C 1.021 175.653 174.700 -0.113 0.000 1.050 370 T CA -0.737 61.301 62.100 -0.103 0.000 1.011 370 T CB 0.938 69.791 68.868 -0.025 0.000 1.195 370 T HN -0.052 nan 8.240 nan 0.000 0.540 371 Y N -0.505 119.728 120.300 -0.113 0.000 2.639 371 Y HA 0.021 4.571 4.550 -0.000 0.000 0.297 371 Y C 1.936 177.757 175.900 -0.133 0.000 1.151 371 Y CA 0.799 58.822 58.100 -0.129 0.000 1.335 371 Y CB -0.442 37.917 38.460 -0.169 0.000 0.994 371 Y HN 0.818 nan 8.280 nan 0.000 0.548 372 Y N -0.994 119.251 120.300 -0.092 0.000 2.293 372 Y HA -0.215 4.335 4.550 -0.000 0.000 0.291 372 Y C 2.120 177.945 175.900 -0.124 0.000 1.137 372 Y CA 1.300 59.330 58.100 -0.117 0.000 1.202 372 Y CB -0.230 38.190 38.460 -0.065 0.000 0.990 372 Y HN -0.094 nan 8.280 nan 0.000 0.537 373 V N -1.304 118.650 119.914 0.066 0.000 2.379 373 V HA -0.266 3.854 4.120 -0.000 0.000 0.245 373 V C 2.229 178.228 176.094 -0.159 0.000 1.044 373 V CA 1.620 63.972 62.300 0.087 0.000 1.036 373 V CB -0.732 31.172 31.823 0.135 0.000 0.664 373 V HN 0.275 nan 8.190 nan 0.000 0.453 374 V N 0.531 120.193 119.914 -0.420 0.000 2.407 374 V HA -0.242 3.878 4.120 -0.000 0.000 0.248 374 V C 2.684 178.359 176.094 -0.699 0.000 1.055 374 V CA 1.974 63.754 62.300 -0.867 0.000 1.049 374 V CB -1.148 30.268 31.823 -0.678 0.000 0.662 374 V HN 0.550 nan 8.190 nan 0.000 0.455 375 A N -0.112 122.421 122.820 -0.479 0.000 1.898 375 A HA -0.253 4.067 4.320 -0.000 0.000 0.216 375 A C 2.123 179.454 177.584 -0.421 0.000 1.181 375 A CA 2.058 53.783 52.037 -0.520 0.000 0.620 375 A CB -0.801 17.569 19.000 -1.050 0.000 0.819 375 A HN 0.760 nan 8.150 nan 0.000 0.442 376 H N 0.263 119.053 119.070 -0.466 0.000 2.267 376 H HA -0.222 4.334 4.556 -0.000 0.000 0.297 376 H C 1.670 176.908 175.328 -0.151 0.000 1.080 376 H CA 2.501 58.391 56.048 -0.264 0.000 1.278 376 H CB -0.772 28.900 29.762 -0.150 0.000 1.365 376 H HN 0.593 nan 8.280 nan 0.000 0.489 377 F N -1.447 118.197 119.950 -0.509 0.000 2.502 377 F HA 0.081 4.608 4.527 -0.000 0.000 0.298 377 F C 1.714 177.156 175.800 -0.597 0.000 1.111 377 F CA 0.730 58.353 58.000 -0.629 0.000 1.445 377 F CB -0.631 38.127 39.000 -0.403 0.000 1.081 377 F HN 0.170 nan 8.300 nan 0.000 0.558 378 H N -1.644 117.034 119.070 -0.653 0.000 2.529 378 H HA 0.033 4.589 4.556 -0.000 0.000 0.277 378 H C 1.246 176.130 175.328 -0.739 0.000 0.999 378 H CA 1.620 57.156 56.048 -0.853 0.000 1.256 378 H CB -0.187 28.523 29.762 -1.753 0.000 1.402 378 H HN 0.314 nan 8.280 nan 0.000 0.566 379 Y N -0.353 119.659 120.300 -0.480 0.000 2.177 379 Y HA -0.172 4.378 4.550 -0.000 0.000 0.291 379 Y C 2.532 178.211 175.900 -0.367 0.000 1.117 379 Y CA 1.299 59.171 58.100 -0.380 0.000 1.114 379 Y CB -0.337 37.928 38.460 -0.325 0.000 1.017 379 Y HN 0.074 nan 8.280 nan 0.000 0.505 380 V N -1.690 118.064 119.914 -0.267 0.000 2.307 380 V HA -0.185 3.935 4.120 -0.000 0.000 0.245 380 V C 1.973 177.985 176.094 -0.137 0.000 1.045 380 V CA 1.683 63.826 62.300 -0.262 0.000 1.024 380 V CB -1.100 30.497 31.823 -0.377 0.000 0.651 380 V HN 0.336 nan 8.190 nan 0.000 0.449 381 L N 0.798 121.893 121.223 -0.214 0.000 2.121 381 L HA 0.149 4.489 4.340 -0.000 0.000 0.200 381 L C 2.547 179.321 176.870 -0.160 0.000 1.077 381 L CA 2.184 56.911 54.840 -0.188 0.000 0.766 381 L CB -0.709 41.195 42.059 -0.259 0.000 0.931 381 L HN 0.298 nan 8.230 nan 0.000 0.452 382 S N 0.023 115.580 115.700 -0.238 0.000 2.349 382 S HA -0.212 4.258 4.470 -0.000 0.000 0.216 382 S C 1.933 176.515 174.600 -0.031 0.000 1.033 382 S CA 2.166 60.273 58.200 -0.156 0.000 1.021 382 S CB -0.509 62.560 63.200 -0.219 0.000 0.968 382 S HN 0.408 nan 8.310 nan 0.000 0.426 383 M N 1.234 120.756 119.600 -0.130 0.000 2.067 383 M HA -0.044 4.436 4.480 -0.000 0.000 0.260 383 M C 2.583 178.910 176.300 0.046 0.000 1.069 383 M CA 1.576 56.827 55.300 -0.083 0.000 1.117 383 M CB -1.193 31.108 32.600 -0.499 0.000 1.334 383 M HN 0.499 nan 8.290 nan 0.000 0.407 384 G N 0.228 108.999 108.800 -0.048 0.000 2.553 384 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.218 384 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.218 384 G C 1.617 176.777 174.900 0.433 0.000 1.195 384 G CA 1.389 46.537 45.100 0.080 0.000 0.779 384 G HN 0.554 nan 8.290 nan 0.000 0.577 385 A N -0.348 122.619 122.820 0.245 0.000 1.873 385 A HA 0.110 4.430 4.320 -0.000 0.000 0.215 385 A C 2.630 180.351 177.584 0.229 0.000 1.186 385 A CA 1.931 54.090 52.037 0.203 0.000 0.616 385 A CB -0.696 18.338 19.000 0.057 0.000 0.823 385 A HN 0.308 nan 8.150 nan 0.000 0.442 386 V N -1.298 118.761 119.914 0.242 0.000 2.407 386 V HA -0.232 3.888 4.120 -0.000 0.000 0.248 386 V C 2.292 178.538 176.094 0.253 0.000 1.055 386 V CA 1.929 64.363 62.300 0.224 0.000 1.049 386 V CB -0.867 31.102 31.823 0.243 0.000 0.662 386 V HN 0.610 nan 8.190 nan 0.000 0.455 387 F N 0.225 120.321 119.950 0.243 0.000 2.186 387 F HA -0.114 4.413 4.527 -0.000 0.000 0.299 387 F C 2.428 178.385 175.800 0.263 0.000 1.090 387 F CA 1.097 59.340 58.000 0.405 0.000 1.307 387 F CB -0.372 39.029 39.000 0.668 0.000 1.019 387 F HN 0.123 nan 8.300 nan 0.000 0.489 388 A N 0.298 123.375 122.820 0.428 0.000 1.898 388 A HA -0.131 4.189 4.320 -0.000 0.000 0.216 388 A C 2.132 179.717 177.584 0.001 0.000 1.181 388 A CA 1.326 53.418 52.037 0.092 0.000 0.620 388 A CB -0.948 18.035 19.000 -0.029 0.000 0.819 388 A HN 0.390 nan 8.150 nan 0.000 0.442 389 I N -0.774 119.833 120.570 0.061 0.000 2.226 389 I HA -0.264 3.906 4.170 -0.000 0.000 0.245 389 I C 2.566 178.715 176.117 0.053 0.000 1.100 389 I CA 1.112 62.480 61.300 0.113 0.000 1.374 389 I CB -0.249 37.856 38.000 0.175 0.000 1.057 389 I HN 0.257 nan 8.210 nan 0.000 0.413 390 M N 0.249 119.697 119.600 -0.254 0.000 2.132 390 M HA -0.081 4.399 4.480 -0.000 0.000 0.263 390 M C 2.419 178.423 176.300 -0.495 0.000 1.065 390 M CA 1.781 56.703 55.300 -0.630 0.000 1.122 390 M CB -1.994 29.506 32.600 -1.832 0.000 1.365 390 M HN 0.288 nan 8.290 nan 0.000 0.411 391 G N -0.239 108.356 108.800 -0.341 0.000 2.446 391 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.217 391 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.217 391 G C 1.593 176.488 174.900 -0.009 0.000 1.168 391 G CA 1.113 46.194 45.100 -0.031 0.000 0.771 391 G HN 0.553 nan 8.290 nan 0.000 0.551 392 G N 0.105 108.883 108.800 -0.038 0.000 2.408 392 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.217 392 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.217 392 G C 1.614 176.752 174.900 0.397 0.000 1.150 392 G CA 0.839 45.945 45.100 0.011 0.000 0.776 392 G HN 0.359 nan 8.290 nan 0.000 0.542 393 F N 1.823 122.006 119.950 0.388 0.000 2.102 393 F HA -0.137 4.390 4.527 -0.000 0.000 0.298 393 F C 2.758 178.701 175.800 0.237 0.000 1.105 393 F CA 2.003 60.285 58.000 0.469 0.000 1.239 393 F CB -0.327 38.858 39.000 0.309 0.000 0.991 393 F HN 0.066 nan 8.300 nan 0.000 0.474 394 V N -1.363 118.686 119.914 0.225 0.000 2.427 394 V HA -0.237 3.883 4.120 -0.000 0.000 0.248 394 V C 2.395 178.513 176.094 0.040 0.000 1.051 394 V CA 2.382 64.743 62.300 0.102 0.000 1.048 394 V CB -1.407 30.539 31.823 0.204 0.000 0.666 394 V HN 0.523 nan 8.190 nan 0.000 0.456 395 H N -0.796 118.219 119.070 -0.091 0.000 2.353 395 H HA -0.111 4.445 4.556 -0.000 0.000 0.300 395 H C 1.801 176.966 175.328 -0.272 0.000 1.090 395 H CA 2.455 58.361 56.048 -0.237 0.000 1.327 395 H CB -0.191 29.254 29.762 -0.529 0.000 1.383 395 H HN 0.582 nan 8.280 nan 0.000 0.508 396 W N -0.632 120.451 121.300 -0.362 0.000 3.278 396 W HA 0.064 4.724 4.660 -0.000 0.000 0.308 396 W C 1.491 177.274 176.519 -1.226 0.000 1.253 396 W CA -0.367 56.418 57.345 -0.933 0.000 1.759 396 W CB -0.781 27.965 29.460 -1.190 0.000 1.093 396 W HN 0.201 nan 8.180 nan 0.000 0.648 397 F N 2.871 122.371 119.950 -0.750 0.000 2.120 397 F HA -0.188 4.339 4.527 -0.000 0.000 0.300 397 F C -0.738 174.779 175.800 -0.471 0.000 1.095 397 F CA 1.967 59.526 58.000 -0.735 0.000 1.249 397 F CB -1.366 37.200 39.000 -0.724 0.000 0.995 397 F HN -0.248 nan 8.300 nan 0.000 0.480 398 P HA -0.172 nan 4.420 nan 0.000 0.218 398 P C 1.763 178.914 177.300 -0.249 0.000 1.149 398 P CA 1.191 64.180 63.100 -0.184 0.000 0.817 398 P CB -0.093 31.654 31.700 0.079 0.000 0.785 399 L N -1.488 119.493 121.223 -0.405 0.000 2.027 399 L HA -0.083 4.257 4.340 -0.000 0.000 0.206 399 L C 1.998 178.593 176.870 -0.458 0.000 1.074 399 L CA 2.004 56.519 54.840 -0.540 0.000 0.745 399 L CB -1.428 39.932 42.059 -1.164 0.000 0.898 399 L HN -0.163 nan 8.230 nan 0.000 0.433 400 F N -0.237 119.212 119.950 -0.835 0.000 2.186 400 F HA -0.091 4.436 4.527 -0.000 0.000 0.299 400 F C 2.820 178.302 175.800 -0.530 0.000 1.090 400 F CA 1.094 58.462 58.000 -1.053 0.000 1.307 400 F CB -1.705 36.606 39.000 -1.149 0.000 1.019 400 F HN 0.401 nan 8.300 nan 0.000 0.489 401 S N -1.564 113.858 115.700 -0.464 0.000 2.499 401 S HA 0.412 4.882 4.470 -0.000 0.000 0.225 401 S C 1.852 176.154 174.600 -0.498 0.000 1.050 401 S CA 0.547 58.492 58.200 -0.423 0.000 0.928 401 S CB 0.325 63.037 63.200 -0.814 0.000 0.803 401 S HN 0.533 nan 8.310 nan 0.000 0.506 402 G N -0.021 108.501 108.800 -0.462 0.000 2.175 402 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.244 402 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.244 402 G C -0.255 174.381 174.900 -0.439 0.000 0.982 402 G CA 0.322 45.169 45.100 -0.421 0.000 0.641 402 G HN 0.531 nan 8.290 nan 0.000 0.527 403 Y N 0.923 121.108 120.300 -0.191 0.000 2.509 403 Y HA 0.694 5.244 4.550 -0.000 0.000 0.341 403 Y C 0.890 176.776 175.900 -0.023 0.000 1.038 403 Y CA -0.624 57.410 58.100 -0.109 0.000 1.089 403 Y CB 1.656 40.031 38.460 -0.141 0.000 1.241 403 Y HN 0.303 nan 8.280 nan 0.000 0.468 404 T N -0.064 114.615 114.554 0.208 0.000 2.943 404 T HA 0.762 5.112 4.350 -0.000 0.000 0.284 404 T C -0.331 174.441 174.700 0.119 0.000 1.015 404 T CA -0.849 61.345 62.100 0.157 0.000 1.042 404 T CB 0.842 69.764 68.868 0.089 0.000 1.055 404 T HN 0.487 nan 8.240 nan 0.000 0.500 405 L N 1.713 122.980 121.223 0.073 0.000 2.431 405 L HA 0.443 4.783 4.340 -0.000 0.000 0.260 405 L C 0.975 177.861 176.870 0.027 0.000 1.098 405 L CA -1.192 53.626 54.840 -0.037 0.000 0.800 405 L CB 0.567 42.572 42.059 -0.090 0.000 1.210 405 L HN 0.712 nan 8.230 nan 0.000 0.465 406 N N 0.647 119.382 118.700 0.059 0.000 2.406 406 N HA -0.003 4.737 4.740 -0.000 0.000 0.251 406 N C 0.059 175.663 175.510 0.156 0.000 1.069 406 N CA -0.107 53.026 53.050 0.139 0.000 0.947 406 N CB 1.200 39.864 38.487 0.295 0.000 1.111 406 N HN 0.520 nan 8.380 nan 0.000 0.497 407 D N 2.283 122.744 120.400 0.103 0.000 2.123 407 D HA -0.131 4.509 4.640 -0.000 0.000 0.196 407 D C 1.216 177.578 176.300 0.103 0.000 0.992 407 D CA 1.626 55.681 54.000 0.093 0.000 0.833 407 D CB 0.153 40.986 40.800 0.056 0.000 0.954 407 D HN 0.566 nan 8.370 nan 0.000 0.455 408 T N -0.822 113.772 114.554 0.067 0.000 2.708 408 T HA -0.164 4.186 4.350 -0.000 0.000 0.266 408 T C 1.751 176.507 174.700 0.094 0.000 1.037 408 T CA 1.029 63.134 62.100 0.008 0.000 1.146 408 T CB -0.563 68.237 68.868 -0.113 0.000 0.865 408 T HN 0.344 nan 8.240 nan 0.000 0.435 409 W N 1.265 122.630 121.300 0.108 0.000 2.338 409 W HA -0.055 4.605 4.660 -0.000 0.000 0.304 409 W C 2.836 179.466 176.519 0.186 0.000 1.212 409 W CA 0.531 57.971 57.345 0.159 0.000 1.264 409 W CB -0.267 29.298 29.460 0.175 0.000 1.142 409 W HN 0.224 nan 8.180 nan 0.000 0.512 410 A N 0.298 123.359 122.820 0.402 0.000 1.969 410 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 410 A C 1.811 179.608 177.584 0.355 0.000 1.169 410 A CA 1.666 53.929 52.037 0.378 0.000 0.635 410 A CB -0.538 18.634 19.000 0.287 0.000 0.810 410 A HN 0.300 nan 8.150 nan 0.000 0.445 411 K N -0.493 120.042 120.400 0.225 0.000 2.155 411 K HA 0.056 4.376 4.320 -0.000 0.000 0.203 411 K C 1.686 178.403 176.600 0.196 0.000 1.052 411 K CA 1.182 57.556 56.287 0.145 0.000 0.948 411 K CB -0.272 32.261 32.500 0.055 0.000 0.728 411 K HN 0.506 nan 8.250 nan 0.000 0.448 412 I N 0.686 121.394 120.570 0.231 0.000 2.226 412 I HA -0.309 3.861 4.170 -0.000 0.000 0.245 412 I C 2.694 178.976 176.117 0.276 0.000 1.100 412 I CA 1.266 62.705 61.300 0.231 0.000 1.374 412 I CB -0.396 37.781 38.000 0.294 0.000 1.057 412 I HN 0.340 nan 8.210 nan 0.000 0.413 413 H N 0.782 120.021 119.070 0.282 0.000 2.319 413 H HA -0.282 4.274 4.556 -0.000 0.000 0.299 413 H C 2.294 177.748 175.328 0.210 0.000 1.092 413 H CA 2.245 58.461 56.048 0.281 0.000 1.302 413 H CB -0.197 29.778 29.762 0.354 0.000 1.373 413 H HN 0.337 nan 8.280 nan 0.000 0.497 414 F N 1.552 121.388 119.950 -0.189 0.000 2.095 414 F HA -0.156 4.371 4.527 -0.000 0.000 0.298 414 F C 2.631 178.205 175.800 -0.377 0.000 1.104 414 F CA 1.751 59.328 58.000 -0.705 0.000 1.232 414 F CB -0.780 37.668 39.000 -0.919 0.000 0.987 414 F HN 0.231 nan 8.300 nan 0.000 0.475 415 A N 1.048 123.723 122.820 -0.241 0.000 1.883 415 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 415 A C 2.314 179.805 177.584 -0.154 0.000 1.186 415 A CA 2.179 54.086 52.037 -0.216 0.000 0.624 415 A CB -1.321 17.672 19.000 -0.010 0.000 0.822 415 A HN 0.526 nan 8.150 nan 0.000 0.444 416 I N -1.555 118.974 120.570 -0.068 0.000 2.179 416 I HA -0.292 3.878 4.170 -0.000 0.000 0.242 416 I C 2.670 178.763 176.117 -0.039 0.000 1.088 416 I CA 2.017 63.312 61.300 -0.008 0.000 1.357 416 I CB -0.295 37.744 38.000 0.066 0.000 1.051 416 I HN 0.395 nan 8.210 nan 0.000 0.409 417 M N 0.387 119.915 119.600 -0.120 0.000 2.117 417 M HA -0.238 4.242 4.480 -0.000 0.000 0.262 417 M C 2.070 178.370 176.300 -0.001 0.000 1.065 417 M CA 1.862 57.128 55.300 -0.057 0.000 1.114 417 M CB -0.553 31.997 32.600 -0.083 0.000 1.361 417 M HN 0.171 nan 8.290 nan 0.000 0.408 418 F N -0.544 119.209 119.950 -0.329 0.000 2.102 418 F HA -0.191 4.336 4.527 -0.000 0.000 0.298 418 F C 1.920 177.680 175.800 -0.067 0.000 1.105 418 F CA 1.757 59.638 58.000 -0.198 0.000 1.239 418 F CB -0.503 38.163 39.000 -0.556 0.000 0.991 418 F HN -0.039 nan 8.300 nan 0.000 0.474 419 V N 0.069 119.999 119.914 0.027 0.000 2.307 419 V HA -0.222 3.898 4.120 -0.000 0.000 0.245 419 V C 2.742 178.810 176.094 -0.044 0.000 1.045 419 V CA 1.916 64.215 62.300 -0.002 0.000 1.024 419 V CB -1.610 30.239 31.823 0.042 0.000 0.651 419 V HN 0.523 nan 8.190 nan 0.000 0.449 420 G N 0.658 109.448 108.800 -0.016 0.000 2.459 420 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.217 420 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.217 420 G C 1.773 176.645 174.900 -0.046 0.000 1.183 420 G CA 1.785 46.879 45.100 -0.009 0.000 0.776 420 G HN 0.589 nan 8.290 nan 0.000 0.552 421 V N -0.739 119.167 119.914 -0.015 0.000 2.427 421 V HA -0.128 3.992 4.120 -0.000 0.000 0.248 421 V C 2.203 178.251 176.094 -0.076 0.000 1.051 421 V CA 2.154 64.466 62.300 0.019 0.000 1.048 421 V CB -0.612 31.286 31.823 0.125 0.000 0.666 421 V HN 0.280 nan 8.190 nan 0.000 0.456 422 N N 0.089 118.686 118.700 -0.172 0.000 2.216 422 N HA -0.050 4.690 4.740 -0.000 0.000 0.183 422 N C 1.836 177.350 175.510 0.006 0.000 1.017 422 N CA 1.955 54.944 53.050 -0.102 0.000 0.861 422 N CB -0.167 38.180 38.487 -0.233 0.000 0.986 422 N HN 0.592 nan 8.380 nan 0.000 0.428 423 M N 0.749 120.323 119.600 -0.043 0.000 2.254 423 M HA -0.085 4.395 4.480 -0.000 0.000 0.265 423 M C 1.535 177.785 176.300 -0.083 0.000 1.066 423 M CA 1.152 56.446 55.300 -0.011 0.000 1.123 423 M CB -0.010 32.585 32.600 -0.008 0.000 1.388 423 M HN -0.039 nan 8.290 nan 0.000 0.425 424 T N 0.228 114.640 114.554 -0.236 0.000 2.732 424 T HA -0.058 4.292 4.350 -0.000 0.000 0.261 424 T C 1.192 175.504 174.700 -0.645 0.000 1.040 424 T CA 1.566 63.348 62.100 -0.529 0.000 1.145 424 T CB -0.313 67.998 68.868 -0.929 0.000 0.866 424 T HN 0.412 nan 8.240 nan 0.000 0.427 425 F N -0.494 119.396 119.950 -0.099 0.000 2.530 425 F HA 0.301 4.828 4.527 -0.000 0.000 0.292 425 F C 1.844 177.634 175.800 -0.016 0.000 1.109 425 F CA -0.338 57.593 58.000 -0.114 0.000 1.450 425 F CB -0.305 38.562 39.000 -0.221 0.000 1.114 425 F HN 0.028 nan 8.300 nan 0.000 0.560 426 F N 2.564 122.597 119.950 0.138 0.000 2.095 426 F HA -0.078 4.449 4.527 -0.000 0.000 0.298 426 F C -0.852 174.784 175.800 -0.272 0.000 1.104 426 F CA 1.258 59.301 58.000 0.072 0.000 1.232 426 F CB -1.625 37.395 39.000 0.032 0.000 0.987 426 F HN -0.149 nan 8.300 nan 0.000 0.475 427 P HA -0.171 nan 4.420 nan 0.000 0.222 427 P C 1.102 178.094 177.300 -0.514 0.000 1.147 427 P CA 1.518 64.340 63.100 -0.462 0.000 0.790 427 P CB -0.191 31.511 31.700 0.002 0.000 0.780 428 Q N -1.853 117.710 119.800 -0.395 0.000 2.364 428 Q HA -0.184 4.156 4.340 -0.000 0.000 0.207 428 Q C 1.668 177.429 176.000 -0.398 0.000 0.970 428 Q CA 1.067 56.690 55.803 -0.299 0.000 0.888 428 Q CB -0.567 28.107 28.738 -0.107 0.000 0.951 428 Q HN 0.526 nan 8.270 nan 0.000 0.469 429 H N -0.797 117.880 119.070 -0.655 0.000 2.326 429 H HA -0.129 4.427 4.556 -0.000 0.000 0.301 429 H C 1.467 176.588 175.328 -0.344 0.000 1.081 429 H CA 1.599 57.250 56.048 -0.662 0.000 1.334 429 H CB 0.009 29.125 29.762 -1.076 0.000 1.385 429 H HN 0.188 nan 8.280 nan 0.000 0.504 430 F N 0.454 120.226 119.950 -0.297 0.000 2.095 430 F HA -0.159 4.368 4.527 -0.000 0.000 0.298 430 F C 2.270 178.028 175.800 -0.069 0.000 1.104 430 F CA 0.932 58.758 58.000 -0.289 0.000 1.232 430 F CB -1.074 37.437 39.000 -0.816 0.000 0.987 430 F HN 0.085 nan 8.300 nan 0.000 0.475 431 L N -0.398 120.877 121.223 0.086 0.000 2.079 431 L HA -0.162 4.178 4.340 -0.000 0.000 0.210 431 L C 2.730 179.626 176.870 0.043 0.000 1.081 431 L CA 1.475 56.359 54.840 0.073 0.000 0.752 431 L CB -1.386 40.592 42.059 -0.135 0.000 0.896 431 L HN 0.286 nan 8.230 nan 0.000 0.433 432 G N -0.133 108.721 108.800 0.089 0.000 2.394 432 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.214 432 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.214 432 G C 1.619 176.599 174.900 0.134 0.000 1.176 432 G CA 0.314 45.497 45.100 0.138 0.000 0.786 432 G HN 0.201 nan 8.290 nan 0.000 0.533 433 L N 1.635 122.966 121.223 0.180 0.000 2.079 433 L HA -0.101 4.239 4.340 -0.000 0.000 0.210 433 L C 3.007 179.946 176.870 0.116 0.000 1.081 433 L CA 1.540 56.444 54.840 0.107 0.000 0.752 433 L CB -0.326 41.815 42.059 0.138 0.000 0.896 433 L HN 0.416 nan 8.230 nan 0.000 0.433 434 S N -0.959 114.854 115.700 0.187 0.000 2.603 434 S HA 0.179 4.649 4.470 -0.000 0.000 0.220 434 S C 1.410 176.182 174.600 0.286 0.000 0.967 434 S CA 0.329 58.677 58.200 0.247 0.000 0.920 434 S CB 0.384 63.793 63.200 0.348 0.000 0.773 434 S HN 0.567 nan 8.310 nan 0.000 0.529 435 G N 1.069 109.964 108.800 0.159 0.000 2.159 435 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.227 435 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.227 435 G C -0.101 174.765 174.900 -0.056 0.000 0.986 435 G CA 0.042 45.202 45.100 0.100 0.000 0.651 435 G HN 0.600 nan 8.290 nan 0.000 0.523 436 M N 1.735 121.132 119.600 -0.338 0.000 2.227 436 M HA 0.414 4.894 4.480 -0.000 0.000 0.349 436 M C -2.164 173.973 176.300 -0.271 0.000 1.443 436 M CA -1.437 53.499 55.300 -0.606 0.000 1.110 436 M CB 0.726 32.745 32.600 -0.968 0.000 1.773 436 M HN -0.031 nan 8.290 nan 0.000 0.463 437 P HA 0.191 nan 4.420 nan 0.000 0.272 437 P C -1.051 176.067 177.300 -0.304 0.000 1.230 437 P CA -0.073 62.727 63.100 -0.500 0.000 0.788 437 P CB 0.603 31.624 31.700 -1.131 0.000 0.949 438 R N 1.238 121.600 120.500 -0.231 0.000 2.580 438 R HA 0.375 4.715 4.340 -0.000 0.000 0.267 438 R C 0.510 176.848 176.300 0.063 0.000 1.125 438 R CA -0.558 55.428 56.100 -0.191 0.000 1.188 438 R CB 0.075 30.253 30.300 -0.203 0.000 1.155 438 R HN 0.382 nan 8.270 nan 0.000 0.586 439 R N -0.799 119.822 120.500 0.202 0.000 3.641 439 R HA -0.244 4.096 4.340 -0.000 0.000 0.286 439 R C -1.043 175.606 176.300 0.582 0.000 1.153 439 R CA 0.815 57.135 56.100 0.367 0.000 0.775 439 R CB -1.933 28.511 30.300 0.241 0.000 1.215 439 R HN 0.529 nan 8.270 nan 0.000 0.474 440 Y N -0.672 119.788 120.300 0.267 0.000 2.360 440 Y HA 0.134 4.684 4.550 -0.000 0.000 0.337 440 Y C 1.673 177.507 175.900 -0.110 0.000 1.039 440 Y CA -0.227 57.948 58.100 0.124 0.000 1.109 440 Y CB 1.636 40.176 38.460 0.133 0.000 1.201 440 Y HN 0.151 nan 8.280 nan 0.000 0.458 441 S N 0.114 115.637 115.700 -0.295 0.000 2.501 441 S HA 0.044 4.514 4.470 -0.000 0.000 0.220 441 S C -0.099 174.273 174.600 -0.381 0.000 0.997 441 S CA 0.350 58.105 58.200 -0.742 0.000 0.919 441 S CB 0.238 63.094 63.200 -0.573 0.000 0.778 441 S HN 0.699 nan 8.310 nan 0.000 0.523 442 D N -0.517 119.756 120.400 -0.212 0.000 2.599 442 D HA 0.516 5.156 4.640 -0.000 0.000 0.252 442 D C -1.711 174.542 176.300 -0.078 0.000 1.232 442 D CA -0.736 53.094 54.000 -0.284 0.000 0.819 442 D CB 1.715 42.336 40.800 -0.299 0.000 1.401 442 D HN 0.235 nan 8.370 nan 0.000 0.429 443 Y N -1.917 118.441 120.300 0.096 0.000 2.588 443 Y HA 0.760 5.310 4.550 -0.000 0.000 0.343 443 Y C -2.682 173.350 175.900 0.220 0.000 1.065 443 Y CA -2.465 55.766 58.100 0.217 0.000 1.038 443 Y CB -0.166 38.418 38.460 0.207 0.000 1.297 443 Y HN 0.041 nan 8.280 nan 0.000 0.467 444 P HA 0.083 nan 4.420 nan 0.000 0.268 444 P C 0.050 177.517 177.300 0.278 0.000 1.208 444 P CA 0.174 63.443 63.100 0.280 0.000 0.777 444 P CB 0.859 32.710 31.700 0.251 0.000 0.875 445 D N 1.702 122.167 120.400 0.108 0.000 2.172 445 D HA -0.216 4.424 4.640 -0.000 0.000 0.196 445 D C 1.871 178.176 176.300 0.008 0.000 0.999 445 D CA 1.981 56.026 54.000 0.075 0.000 0.856 445 D CB -0.720 40.081 40.800 0.003 0.000 0.934 445 D HN 0.395 nan 8.370 nan 0.000 0.453 446 A N -0.018 122.710 122.820 -0.152 0.000 2.032 446 A HA -0.215 4.105 4.320 -0.000 0.000 0.221 446 A C 1.451 178.856 177.584 -0.299 0.000 1.165 446 A CA 1.094 52.957 52.037 -0.290 0.000 0.645 446 A CB -0.897 17.839 19.000 -0.440 0.000 0.807 446 A HN 0.309 nan 8.150 nan 0.000 0.453 447 Y N 0.044 120.347 120.300 0.004 0.000 2.490 447 Y HA 0.044 4.594 4.550 -0.000 0.000 0.281 447 Y C 2.423 178.122 175.900 -0.334 0.000 1.174 447 Y CA 0.592 58.604 58.100 -0.146 0.000 1.295 447 Y CB -1.062 37.274 38.460 -0.208 0.000 1.062 447 Y HN 0.217 nan 8.280 nan 0.000 0.522 448 T N 0.250 114.790 114.554 -0.023 0.000 2.720 448 T HA -0.310 4.040 4.350 -0.000 0.000 0.268 448 T C 2.072 176.684 174.700 -0.148 0.000 1.037 448 T CA 1.795 63.895 62.100 0.001 0.000 1.144 448 T CB -0.246 68.681 68.868 0.098 0.000 0.864 448 T HN 0.441 nan 8.240 nan 0.000 0.444 449 M N -0.408 119.020 119.600 -0.287 0.000 2.065 449 M HA -0.132 4.348 4.480 -0.000 0.000 0.259 449 M C 1.982 178.115 176.300 -0.278 0.000 1.071 449 M CA 1.955 57.013 55.300 -0.403 0.000 1.109 449 M CB -0.296 31.858 32.600 -0.743 0.000 1.313 449 M HN 0.414 nan 8.290 nan 0.000 0.408 450 W N 0.489 121.757 121.300 -0.052 0.000 2.363 450 W HA -0.169 4.491 4.660 -0.000 0.000 0.296 450 W C 2.181 178.610 176.519 -0.151 0.000 1.212 450 W CA 0.291 57.607 57.345 -0.048 0.000 1.260 450 W CB -0.713 28.753 29.460 0.011 0.000 1.131 450 W HN 0.346 nan 8.180 nan 0.000 0.530 451 N N -0.152 118.501 118.700 -0.077 0.000 2.244 451 N HA -0.105 4.635 4.740 -0.000 0.000 0.183 451 N C 1.500 176.959 175.510 -0.086 0.000 1.016 451 N CA 1.865 54.793 53.050 -0.203 0.000 0.866 451 N CB -0.465 37.724 38.487 -0.498 0.000 0.980 451 N HN 0.129 nan 8.380 nan 0.000 0.430 452 T N 1.883 116.404 114.554 -0.055 0.000 2.737 452 T HA 0.036 4.386 4.350 -0.000 0.000 0.265 452 T C 2.148 176.826 174.700 -0.037 0.000 1.038 452 T CA 0.579 62.654 62.100 -0.041 0.000 1.144 452 T CB -0.051 68.788 68.868 -0.049 0.000 0.866 452 T HN 0.159 nan 8.240 nan 0.000 0.434 453 I N 1.051 121.628 120.570 0.012 0.000 2.226 453 I HA -0.184 3.986 4.170 -0.000 0.000 0.245 453 I C 2.820 178.939 176.117 0.003 0.000 1.100 453 I CA 1.040 62.369 61.300 0.049 0.000 1.374 453 I CB -0.462 37.648 38.000 0.184 0.000 1.057 453 I HN 0.252 nan 8.210 nan 0.000 0.413 454 S N 0.301 115.989 115.700 -0.019 0.000 2.370 454 S HA -0.190 4.280 4.470 -0.000 0.000 0.226 454 S C 2.205 176.721 174.600 -0.141 0.000 1.033 454 S CA 2.128 60.256 58.200 -0.120 0.000 1.011 454 S CB -0.166 62.935 63.200 -0.164 0.000 0.852 454 S HN 0.406 nan 8.310 nan 0.000 0.457 455 S N 1.034 116.674 115.700 -0.100 0.000 2.402 455 S HA 0.050 4.520 4.470 -0.000 0.000 0.229 455 S C 1.854 176.396 174.600 -0.096 0.000 1.021 455 S CA 1.292 59.444 58.200 -0.081 0.000 0.974 455 S CB -0.321 62.835 63.200 -0.072 0.000 0.800 455 S HN 0.520 nan 8.310 nan 0.000 0.484 456 M N 0.911 120.444 119.600 -0.113 0.000 2.099 456 M HA -0.027 4.453 4.480 -0.000 0.000 0.262 456 M C 2.548 178.841 176.300 -0.012 0.000 1.067 456 M CA 1.480 56.711 55.300 -0.115 0.000 1.124 456 M CB -0.891 31.658 32.600 -0.085 0.000 1.353 456 M HN 0.451 nan 8.290 nan 0.000 0.410 457 G N 0.125 108.905 108.800 -0.032 0.000 2.450 457 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.220 457 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.220 457 G C 1.620 176.510 174.900 -0.017 0.000 1.130 457 G CA 1.327 46.406 45.100 -0.036 0.000 0.760 457 G HN 0.569 nan 8.290 nan 0.000 0.557 458 S N -0.279 115.412 115.700 -0.015 0.000 2.419 458 S HA 0.011 4.481 4.470 -0.000 0.000 0.233 458 S C 2.084 176.792 174.600 0.181 0.000 1.016 458 S CA 0.800 59.021 58.200 0.035 0.000 0.974 458 S CB -0.540 62.677 63.200 0.028 0.000 0.786 458 S HN 0.355 nan 8.310 nan 0.000 0.492 459 F N 1.245 121.171 119.950 -0.039 0.000 2.293 459 F HA 0.217 4.744 4.527 -0.000 0.000 0.297 459 F C 2.205 178.005 175.800 -0.000 0.000 1.089 459 F CA 0.564 58.556 58.000 -0.014 0.000 1.377 459 F CB -0.146 38.848 39.000 -0.011 0.000 1.051 459 F HN 0.187 nan 8.300 nan 0.000 0.511 460 I N -0.897 119.775 120.570 0.170 0.000 2.226 460 I HA -0.315 3.855 4.170 -0.000 0.000 0.245 460 I C 2.345 178.506 176.117 0.074 0.000 1.100 460 I CA 1.214 62.573 61.300 0.099 0.000 1.374 460 I CB -0.563 37.477 38.000 0.067 0.000 1.057 460 I HN -0.004 nan 8.210 nan 0.000 0.413 461 S N 0.843 116.582 115.700 0.065 0.000 2.382 461 S HA -0.157 4.313 4.470 -0.000 0.000 0.228 461 S C 1.900 176.536 174.600 0.060 0.000 1.027 461 S CA 1.109 59.353 58.200 0.073 0.000 0.991 461 S CB -0.371 62.878 63.200 0.083 0.000 0.823 461 S HN 0.330 nan 8.310 nan 0.000 0.469 462 L N 2.004 123.231 121.223 0.006 0.000 2.042 462 L HA -0.106 4.234 4.340 -0.000 0.000 0.210 462 L C 2.150 179.009 176.870 -0.019 0.000 1.076 462 L CA 1.947 56.753 54.840 -0.056 0.000 0.749 462 L CB -1.459 40.468 42.059 -0.220 0.000 0.893 462 L HN 0.174 nan 8.230 nan 0.000 0.432 463 T N 0.037 114.594 114.554 0.005 0.000 2.759 463 T HA -0.156 4.194 4.350 -0.000 0.000 0.269 463 T C 1.905 176.662 174.700 0.094 0.000 1.042 463 T CA 1.360 63.482 62.100 0.036 0.000 1.140 463 T CB -0.546 68.356 68.868 0.055 0.000 0.864 463 T HN 0.565 nan 8.240 nan 0.000 0.455 464 A N 0.835 123.736 122.820 0.134 0.000 1.930 464 A HA -0.009 4.311 4.320 -0.000 0.000 0.217 464 A C 2.568 180.334 177.584 0.303 0.000 1.175 464 A CA 1.139 53.331 52.037 0.259 0.000 0.627 464 A CB -0.868 18.245 19.000 0.190 0.000 0.815 464 A HN 0.362 nan 8.150 nan 0.000 0.443 465 V N 0.087 120.106 119.914 0.175 0.000 2.358 465 V HA -0.308 3.812 4.120 -0.000 0.000 0.246 465 V C 2.635 178.758 176.094 0.048 0.000 1.047 465 V CA 2.214 64.582 62.300 0.113 0.000 1.035 465 V CB -0.734 31.125 31.823 0.058 0.000 0.658 465 V HN 0.574 nan 8.190 nan 0.000 0.452 466 M N -0.924 118.695 119.600 0.032 0.000 2.175 466 M HA -0.152 4.328 4.480 -0.000 0.000 0.264 466 M C 2.232 178.550 176.300 0.029 0.000 1.063 466 M CA 1.671 56.975 55.300 0.006 0.000 1.119 466 M CB -0.497 32.089 32.600 -0.022 0.000 1.377 466 M HN 0.332 nan 8.290 nan 0.000 0.415 467 L N 0.655 121.914 121.223 0.060 0.000 2.046 467 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 467 L C 2.470 179.365 176.870 0.041 0.000 1.077 467 L CA 1.687 56.576 54.840 0.082 0.000 0.747 467 L CB -0.552 41.605 42.059 0.162 0.000 0.896 467 L HN 0.291 nan 8.230 nan 0.000 0.432 468 M N -1.732 117.816 119.600 -0.085 0.000 2.108 468 M HA -0.213 4.267 4.480 -0.000 0.000 0.261 468 M C 2.010 178.228 176.300 -0.137 0.000 1.066 468 M CA 2.092 57.211 55.300 -0.302 0.000 1.107 468 M CB -0.114 32.260 32.600 -0.376 0.000 1.356 468 M HN 0.160 nan 8.290 nan 0.000 0.406 469 V N 0.647 120.536 119.914 -0.042 0.000 2.343 469 V HA -0.286 3.834 4.120 -0.000 0.000 0.247 469 V C 2.206 178.339 176.094 0.065 0.000 1.051 469 V CA 2.188 64.496 62.300 0.013 0.000 1.036 469 V CB -1.122 30.715 31.823 0.024 0.000 0.654 469 V HN 0.645 nan 8.190 nan 0.000 0.451 470 F N 0.792 120.701 119.950 -0.068 0.000 2.134 470 F HA -0.185 4.342 4.527 -0.000 0.000 0.299 470 F C 2.098 177.885 175.800 -0.022 0.000 1.097 470 F CA 1.670 59.641 58.000 -0.048 0.000 1.264 470 F CB -0.367 38.515 39.000 -0.196 0.000 1.001 470 F HN 0.076 nan 8.300 nan 0.000 0.479 471 I N 0.291 120.598 120.570 -0.438 0.000 2.264 471 I HA -0.323 3.847 4.170 -0.000 0.000 0.248 471 I C 2.400 178.283 176.117 -0.389 0.000 1.111 471 I CA 1.560 62.543 61.300 -0.528 0.000 1.382 471 I CB -0.497 37.359 38.000 -0.240 0.000 1.060 471 I HN 0.207 nan 8.210 nan 0.000 0.418 472 I N -0.607 119.836 120.570 -0.212 0.000 2.252 472 I HA -0.283 3.887 4.170 -0.000 0.000 0.245 472 I C 2.445 178.587 176.117 0.041 0.000 1.102 472 I CA 1.365 62.594 61.300 -0.118 0.000 1.385 472 I CB -0.399 37.656 38.000 0.091 0.000 1.064 472 I HN 0.405 nan 8.210 nan 0.000 0.414 473 W N 2.241 123.478 121.300 -0.105 0.000 2.358 473 W HA -0.232 4.428 4.660 -0.000 0.000 0.303 473 W C 2.467 178.906 176.519 -0.135 0.000 1.208 473 W CA 1.668 58.992 57.345 -0.035 0.000 1.274 473 W CB -0.191 29.228 29.460 -0.068 0.000 1.138 473 W HN 0.049 nan 8.180 nan 0.000 0.515 474 E N 0.744 120.648 120.200 -0.494 0.000 2.118 474 E HA -0.237 4.112 4.350 -0.000 0.000 0.195 474 E C 2.119 178.387 176.600 -0.554 0.000 0.992 474 E CA 1.778 57.729 56.400 -0.748 0.000 0.804 474 E CB -0.564 28.694 29.700 -0.737 0.000 0.741 474 E HN 0.341 nan 8.360 nan 0.000 0.458 475 A N 0.169 122.741 122.820 -0.413 0.000 1.877 475 A HA -0.143 4.176 4.320 -0.000 0.000 0.216 475 A C 2.158 179.501 177.584 -0.402 0.000 1.186 475 A CA 1.330 53.166 52.037 -0.335 0.000 0.620 475 A CB -1.058 17.742 19.000 -0.334 0.000 0.822 475 A HN 0.323 nan 8.150 nan 0.000 0.443 476 F N -0.163 119.631 119.950 -0.259 0.000 2.293 476 F HA -0.035 4.492 4.527 -0.000 0.000 0.300 476 F C 2.700 178.197 175.800 -0.504 0.000 1.086 476 F CA 0.670 58.475 58.000 -0.326 0.000 1.375 476 F CB 0.014 38.962 39.000 -0.086 0.000 1.045 476 F HN 0.289 nan 8.300 nan 0.000 0.516 477 A N -0.976 121.527 122.820 -0.528 0.000 1.930 477 A HA -0.101 4.219 4.320 -0.000 0.000 0.215 477 A C 2.263 179.586 177.584 -0.436 0.000 1.176 477 A CA 1.756 53.406 52.037 -0.644 0.000 0.632 477 A CB -0.756 17.411 19.000 -1.389 0.000 0.819 477 A HN 0.253 nan 8.150 nan 0.000 0.445 478 S N -0.763 114.686 115.700 -0.418 0.000 2.425 478 S HA 0.041 4.511 4.470 -0.000 0.000 0.225 478 S C 0.404 174.855 174.600 -0.248 0.000 1.024 478 S CA 0.615 58.654 58.200 -0.269 0.000 0.951 478 S CB -0.143 62.933 63.200 -0.206 0.000 0.796 478 S HN 0.577 nan 8.310 nan 0.000 0.498 479 K N 1.111 121.260 120.400 -0.420 0.000 3.393 479 K HA -0.161 4.159 4.320 -0.000 0.000 0.272 479 K C -0.878 175.676 176.600 -0.075 0.000 1.004 479 K CA 0.273 56.259 56.287 -0.501 0.000 0.764 479 K CB -1.179 31.131 32.500 -0.317 0.000 1.373 479 K HN 0.345 nan 8.250 nan 0.000 0.458 480 R N 1.820 122.317 120.500 -0.004 0.000 2.248 480 R HA 0.105 4.445 4.340 -0.000 0.000 0.337 480 R C -0.100 176.331 176.300 0.217 0.000 1.106 480 R CA -0.207 55.947 56.100 0.089 0.000 0.959 480 R CB 0.493 30.823 30.300 0.050 0.000 1.075 480 R HN 0.254 nan 8.270 nan 0.000 0.480 481 E N 1.828 122.152 120.200 0.206 0.000 2.338 481 E HA 0.077 4.427 4.350 -0.000 0.000 0.272 481 E C -0.110 176.535 176.600 0.075 0.000 1.029 481 E CA -0.407 56.087 56.400 0.156 0.000 0.872 481 E CB 1.350 31.119 29.700 0.114 0.000 1.015 481 E HN 0.195 nan 8.360 nan 0.000 0.417 482 V N 4.750 124.686 119.914 0.037 0.000 2.740 482 V HA -0.074 4.046 4.120 -0.000 0.000 0.303 482 V C 1.089 177.199 176.094 0.025 0.000 1.054 482 V CA 0.682 62.999 62.300 0.029 0.000 1.106 482 V CB 0.565 32.406 31.823 0.030 0.000 0.957 482 V HN 0.706 nan 8.190 nan 0.000 0.486 483 L N 2.408 123.643 121.223 0.021 0.000 2.590 483 L HA 0.270 4.610 4.340 -0.000 0.000 0.181 483 L C 0.740 177.618 176.870 0.013 0.000 1.134 483 L CA 0.579 55.430 54.840 0.018 0.000 0.850 483 L CB 0.388 42.457 42.059 0.016 0.000 1.172 483 L HN 0.623 nan 8.230 nan 0.000 0.498 484 T N 0.385 114.938 114.554 -0.002 0.000 2.893 484 T HA 0.621 4.971 4.350 -0.000 0.000 0.291 484 T C -0.914 173.752 174.700 -0.057 0.000 1.028 484 T CA -0.302 61.789 62.100 -0.016 0.000 0.995 484 T CB 2.899 71.757 68.868 -0.016 0.000 1.051 484 T HN -0.239 nan 8.240 nan 0.000 0.470 485 V N 2.741 122.607 119.914 -0.080 0.000 2.577 485 V HA 0.374 4.494 4.120 -0.000 0.000 0.303 485 V C -0.300 175.710 176.094 -0.139 0.000 1.042 485 V CA -1.049 61.136 62.300 -0.191 0.000 0.872 485 V CB 2.095 33.716 31.823 -0.335 0.000 0.998 485 V HN 0.858 nan 8.190 nan 0.000 0.423 486 D N 2.745 123.065 120.400 -0.135 0.000 2.358 486 D HA 0.427 5.067 4.640 -0.000 0.000 0.244 486 D C 0.912 177.127 176.300 -0.141 0.000 1.163 486 D CA -0.026 53.893 54.000 -0.135 0.000 0.945 486 D CB 1.177 41.861 40.800 -0.193 0.000 1.152 486 D HN 0.580 nan 8.370 nan 0.000 0.451 487 L N 0.287 121.419 121.223 -0.152 0.000 3.839 487 L HA -0.301 4.039 4.340 -0.000 0.000 0.416 487 L C 1.833 178.728 176.870 0.041 0.000 1.195 487 L CA 0.590 55.361 54.840 -0.114 0.000 0.946 487 L CB -2.444 39.424 42.059 -0.319 0.000 1.891 487 L HN 0.526 nan 8.230 nan 0.000 0.963 488 T N -5.283 109.308 114.554 0.062 0.000 2.929 488 T HA -0.173 4.177 4.350 -0.000 0.000 0.271 488 T C 1.757 176.553 174.700 0.161 0.000 1.085 488 T CA 1.425 63.620 62.100 0.157 0.000 1.125 488 T CB -0.401 68.557 68.868 0.150 0.000 0.874 488 T HN 0.628 nan 8.240 nan 0.000 0.494 489 T N 0.581 115.195 114.554 0.100 0.000 2.929 489 T HA -0.081 4.269 4.350 -0.000 0.000 0.271 489 T C 1.720 176.489 174.700 0.115 0.000 1.085 489 T CA 1.396 63.554 62.100 0.097 0.000 1.125 489 T CB -0.907 67.996 68.868 0.057 0.000 0.874 489 T HN 0.639 nan 8.240 nan 0.000 0.494 490 T N -1.127 113.504 114.554 0.127 0.000 3.252 490 T HA 0.350 4.700 4.350 -0.000 0.000 0.286 490 T C 0.134 174.976 174.700 0.238 0.000 1.013 490 T CA -0.826 61.361 62.100 0.145 0.000 0.914 490 T CB -0.106 68.814 68.868 0.087 0.000 1.131 490 T HN 0.289 nan 8.240 nan 0.000 0.529 491 N N 1.387 120.277 118.700 0.317 0.000 2.716 491 N HA 0.179 4.919 4.740 -0.000 0.000 0.245 491 N C 0.393 176.195 175.510 0.486 0.000 1.495 491 N CA -0.271 53.071 53.050 0.487 0.000 0.759 491 N CB 1.701 40.582 38.487 0.657 0.000 1.261 491 N HN 0.050 nan 8.380 nan 0.000 0.515 492 L N 2.110 123.557 121.223 0.373 0.000 2.137 492 L HA -0.194 4.146 4.340 -0.000 0.000 0.213 492 L C 2.465 179.555 176.870 0.366 0.000 1.085 492 L CA 2.033 57.079 54.840 0.343 0.000 0.760 492 L CB -0.123 42.107 42.059 0.285 0.000 0.893 492 L HN 0.432 nan 8.230 nan 0.000 0.434 493 E N -1.494 118.904 120.200 0.330 0.000 2.265 493 E HA -0.286 4.064 4.350 -0.000 0.000 0.196 493 E C 1.810 178.478 176.600 0.112 0.000 0.996 493 E CA 1.744 58.262 56.400 0.197 0.000 0.832 493 E CB -1.004 28.730 29.700 0.057 0.000 0.756 493 E HN 0.716 nan 8.360 nan 0.000 0.491 494 W N 0.261 121.694 121.300 0.222 0.000 3.003 494 W HA 0.197 4.857 4.660 -0.000 0.000 0.257 494 W C 1.831 178.419 176.519 0.114 0.000 1.308 494 W CA -0.502 56.930 57.345 0.144 0.000 1.529 494 W CB -0.059 29.470 29.460 0.115 0.000 1.115 494 W HN 0.063 nan 8.180 nan 0.000 0.659 495 L N 1.075 122.499 121.223 0.335 0.000 2.450 495 L HA -0.075 4.265 4.340 -0.000 0.000 0.224 495 L C 1.177 178.117 176.870 0.116 0.000 1.149 495 L CA 1.582 56.552 54.840 0.217 0.000 0.816 495 L CB -0.547 41.642 42.059 0.216 0.000 0.932 495 L HN 0.009 nan 8.230 nan 0.000 0.449 496 N N 0.111 118.861 118.700 0.084 0.000 2.279 496 N HA 0.245 4.984 4.740 -0.000 0.000 0.226 496 N C 0.609 176.145 175.510 0.044 0.000 1.126 496 N CA 0.752 53.803 53.050 0.002 0.000 0.846 496 N CB 0.467 38.893 38.487 -0.102 0.000 1.050 496 N HN 0.340 nan 8.380 nan 0.000 0.502 497 G N 0.383 109.239 108.800 0.094 0.000 2.756 497 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.678 497 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.678 497 G C -0.834 174.122 174.900 0.094 0.000 1.349 497 G CA -0.839 44.314 45.100 0.088 0.000 0.847 497 G HN 0.288 nan 8.290 nan 0.000 0.548 498 C N 2.732 122.071 119.300 0.065 0.000 2.356 498 C HA 0.694 5.154 4.460 -0.000 0.000 0.324 498 C C -1.398 173.562 174.990 -0.051 0.000 1.167 498 C CA -0.794 58.235 59.018 0.019 0.000 1.420 498 C CB 1.057 28.829 27.740 0.053 0.000 2.036 498 C HN 0.812 nan 8.230 nan 0.000 0.435 499 P HA 0.407 nan 4.420 nan 0.000 0.279 499 P C -2.670 174.677 177.300 0.079 0.000 1.252 499 P CA -1.315 61.808 63.100 0.038 0.000 0.811 499 P CB 0.558 32.309 31.700 0.085 0.000 1.035 500 P HA 0.216 nan 4.420 nan 0.000 0.274 500 P C -2.262 175.070 177.300 0.054 0.000 1.237 500 P CA -1.509 61.642 63.100 0.084 0.000 0.793 500 P CB -1.027 30.739 31.700 0.110 0.000 0.977 501 P HA -0.047 nan 4.420 nan 0.000 0.270 501 P C 0.790 178.095 177.300 0.009 0.000 1.223 501 P CA -0.017 63.102 63.100 0.032 0.000 0.785 501 P CB 0.524 32.244 31.700 0.034 0.000 0.923 502 Y N 1.199 121.413 120.300 -0.144 0.000 2.062 502 Y HA -0.251 4.299 4.550 -0.000 0.000 0.276 502 Y C 1.264 176.961 175.900 -0.338 0.000 1.189 502 Y CA 1.807 59.732 58.100 -0.291 0.000 1.130 502 Y CB -0.158 38.098 38.460 -0.341 0.000 0.959 502 Y HN 0.347 nan 8.280 nan 0.000 0.499 503 H N 0.585 119.709 119.070 0.089 0.000 2.581 503 H HA 0.294 4.850 4.556 -0.000 0.000 0.308 503 H C -0.154 175.173 175.328 -0.002 0.000 1.040 503 H CA 0.168 56.232 56.048 0.027 0.000 1.231 503 H CB 0.677 30.491 29.762 0.087 0.000 1.396 503 H HN 0.177 nan 8.280 nan 0.000 0.467 504 T N -0.713 113.917 114.554 0.125 0.000 2.940 504 T HA 0.360 4.710 4.350 -0.000 0.000 0.288 504 T C 0.175 174.935 174.700 0.101 0.000 1.033 504 T CA -0.814 61.281 62.100 -0.009 0.000 1.033 504 T CB 1.295 70.103 68.868 -0.100 0.000 1.079 504 T HN 0.413 nan 8.240 nan 0.000 0.496 505 F N -0.475 119.512 119.950 0.062 0.000 3.091 505 F HA -0.199 4.328 4.527 -0.000 0.000 0.288 505 F C 1.302 177.115 175.800 0.020 0.000 0.907 505 F CA 0.420 58.443 58.000 0.038 0.000 1.028 505 F CB -2.415 36.598 39.000 0.022 0.000 1.022 505 F HN 0.807 nan 8.300 nan 0.000 0.665 506 E N 0.291 120.552 120.200 0.101 0.000 2.153 506 E HA -0.186 4.164 4.350 -0.000 0.000 0.194 506 E C 1.121 177.754 176.600 0.055 0.000 0.988 506 E CA 1.355 57.783 56.400 0.046 0.000 0.811 506 E CB 0.084 29.785 29.700 0.003 0.000 0.746 506 E HN 0.632 nan 8.360 nan 0.000 0.466 507 E N 1.712 121.957 120.200 0.076 0.000 2.114 507 E HA 0.156 4.506 4.350 -0.000 0.000 0.266 507 E C -2.390 174.300 176.600 0.150 0.000 0.896 507 E CA -2.626 53.825 56.400 0.083 0.000 0.750 507 E CB 0.981 30.720 29.700 0.065 0.000 1.121 507 E HN -0.157 nan 8.360 nan 0.000 0.413 508 P HA -0.026 nan 4.420 nan 0.000 0.271 508 P C -0.092 177.328 177.300 0.200 0.000 1.233 508 P CA -0.266 62.938 63.100 0.174 0.000 0.789 508 P CB 0.541 32.283 31.700 0.070 0.000 0.951 509 T N -0.983 113.701 114.554 0.217 0.000 2.802 509 T HA 0.102 4.452 4.350 -0.000 0.000 0.305 509 T C -0.377 174.429 174.700 0.178 0.000 1.053 509 T CA -0.203 62.028 62.100 0.218 0.000 1.058 509 T CB 0.041 69.015 68.868 0.178 0.000 0.988 509 T HN 0.401 nan 8.240 nan 0.000 0.539 510 Y N 1.361 121.701 120.300 0.067 0.000 2.331 510 Y HA 0.561 5.111 4.550 -0.000 0.000 0.338 510 Y C -1.306 174.616 175.900 0.036 0.000 0.976 510 Y CA -1.317 56.809 58.100 0.043 0.000 1.137 510 Y CB 0.941 39.426 38.460 0.041 0.000 1.172 510 Y HN 0.586 nan 8.280 nan 0.000 0.478 511 V N 6.681 126.410 119.914 -0.308 0.000 2.488 511 V HA 0.253 4.373 4.120 -0.000 0.000 0.293 511 V C -0.541 175.344 176.094 -0.349 0.000 1.027 511 V CA -1.255 60.935 62.300 -0.184 0.000 0.862 511 V CB 1.463 33.241 31.823 -0.075 0.000 1.008 511 V HN 0.866 nan 8.190 nan 0.000 0.428 512 N N 2.843 121.403 118.700 -0.233 0.000 2.479 512 N HA 0.191 4.931 4.740 -0.000 0.000 0.257 512 N C 0.701 176.160 175.510 -0.085 0.000 1.232 512 N CA -0.449 52.508 53.050 -0.155 0.000 0.920 512 N CB 0.964 39.471 38.487 0.032 0.000 1.105 512 N HN 0.561 nan 8.380 nan 0.000 0.444 513 L N 1.821 123.000 121.223 -0.073 0.000 2.253 513 L HA 0.169 4.509 4.340 -0.000 0.000 0.205 513 L C 0.341 177.204 176.870 -0.012 0.000 1.078 513 L CA 1.440 56.255 54.840 -0.041 0.000 0.805 513 L CB -0.504 41.530 42.059 -0.042 0.000 0.963 513 L HN 0.713 nan 8.230 nan 0.000 0.459 514 K N 0.000 120.399 120.400 -0.002 0.000 2.780 514 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 514 K CA 0.000 56.294 56.287 0.012 0.000 0.838 514 K CB 0.000 32.510 32.500 0.016 0.000 1.064 514 K HN 0.000 nan 8.250 nan 0.000 0.543