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 2q72_1_A DATA FIRST_RESID 4 DATA SEQUENCE KREHWATRLG LILAMAGNAV GLGNFLRFPV QAAENGGGAF MIPYIIAFLL DATA SEQUENCE VGIPLMWIEW AMGRYGGAQG HGTTPAIFYL LWRNRFAKIL GVFGLWIPLV DATA SEQUENCE VAIYYVYIES WTLGFAIKFL VGLVPEPPPX XTDPDSILRP FKEFLYSYIG DATA SEQUENCE VPKGDEPILK PSLFAYIVFL ITMFINVSIL IRGISKGIER FAKIAMPTLF DATA SEQUENCE ILAVFLVIRV FLLETPNGTA ADGLNFLWTP DFEKLKDPGV WIAAVGQIFF DATA SEQUENCE TLSLGFGAII TYASYVRKDQ DIVLSGLTAA TLNEKAEVIL GGSISIPAAV DATA SEQUENCE AFFGVANAVA IAKAGAFNLG FITLPAIFSQ TAGGTFLGFL WFFLLFFAGL DATA SEQUENCE TSSIAIMQPM IAFLEDELKL SRKHAVLWTA AIVFFSAHLV MFLNKSLDEM DATA SEQUENCE DFWAGTIGVV FFGLTELIIF FWIFGADKAW EEINRGGIIK VPRIYYYVMR DATA SEQUENCE YITPAFLAVL LVVWAREYIP KIMEETHWTV WITRFYIIGL FLFLTFLVFL DATA SEQUENCE AERRRNHESA GTL 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 4 K HA 0.000 nan 4.320 nan 0.000 0.191 4 K C 0.000 176.532 176.600 -0.114 0.000 0.988 4 K CA 0.000 56.247 56.287 -0.066 0.000 0.838 4 K CB 0.000 32.486 32.500 -0.023 0.000 1.064 5 R N 1.743 122.144 120.500 -0.165 0.000 2.626 5 R HA 0.233 4.576 4.340 0.005 0.000 0.274 5 R C -1.306 174.719 176.300 -0.458 0.000 1.031 5 R CA -0.372 55.565 56.100 -0.270 0.000 0.898 5 R CB 2.213 32.338 30.300 -0.292 0.000 1.222 5 R HN 0.129 nan 8.270 nan 0.000 0.455 6 E N 1.811 121.813 120.200 -0.331 0.000 2.422 6 E HA 0.057 4.410 4.350 0.005 0.000 0.260 6 E C -0.696 175.579 176.600 -0.542 0.000 1.108 6 E CA 0.343 56.512 56.400 -0.385 0.000 0.943 6 E CB 0.545 29.975 29.700 -0.449 0.000 0.961 6 E HN 0.383 nan 8.360 nan 0.000 0.443 7 H N 0.327 119.290 119.070 -0.179 0.000 2.961 7 H HA 0.134 4.693 4.556 0.005 0.000 0.371 7 H C -0.965 174.241 175.328 -0.204 0.000 1.190 7 H CA -0.743 55.223 56.048 -0.137 0.000 1.138 7 H CB 0.473 30.230 29.762 -0.007 0.000 1.816 7 H HN 0.495 nan 8.280 nan 0.000 0.551 8 W N 1.117 122.498 121.300 0.135 0.000 2.223 8 W HA 0.269 4.932 4.660 0.005 0.000 0.334 8 W C 1.327 177.874 176.519 0.046 0.000 1.334 8 W CA 0.030 57.396 57.345 0.035 0.000 1.246 8 W CB 0.506 29.989 29.460 0.039 0.000 1.184 8 W HN 0.764 nan 8.180 nan 0.000 0.563 9 A N 2.387 125.344 122.820 0.228 0.000 1.872 9 A HA -0.015 4.308 4.320 0.005 0.000 0.214 9 A C 1.097 178.760 177.584 0.131 0.000 1.187 9 A CA 1.777 53.896 52.037 0.136 0.000 0.614 9 A CB -0.773 18.278 19.000 0.085 0.000 0.826 9 A HN 0.567 nan 8.150 nan 0.000 0.442 10 T N -5.157 109.483 114.554 0.143 0.000 2.916 10 T HA 0.570 4.923 4.350 0.005 0.000 0.292 10 T C 0.396 175.149 174.700 0.088 0.000 1.064 10 T CA -0.363 61.794 62.100 0.095 0.000 1.011 10 T CB 1.920 70.825 68.868 0.062 0.000 1.152 10 T HN 0.138 nan 8.240 nan 0.000 0.510 11 R N -0.264 120.269 120.500 0.055 0.000 2.075 11 R HA 0.103 4.446 4.340 0.005 0.000 0.232 11 R C 2.140 178.442 176.300 0.004 0.000 1.126 11 R CA 1.248 57.369 56.100 0.035 0.000 0.963 11 R CB -1.006 29.309 30.300 0.027 0.000 0.858 11 R HN 0.602 nan 8.270 nan 0.000 0.435 12 L N 0.008 121.234 121.223 0.004 0.000 2.046 12 L HA 0.069 4.412 4.340 0.005 0.000 0.208 12 L C 2.049 178.902 176.870 -0.029 0.000 1.077 12 L CA 2.388 57.220 54.840 -0.014 0.000 0.747 12 L CB -1.140 40.914 42.059 -0.007 0.000 0.896 12 L HN 0.294 nan 8.230 nan 0.000 0.432 13 G N -0.336 108.461 108.800 -0.005 0.000 2.418 13 G HA2 -0.295 3.668 3.960 0.005 0.000 0.217 13 G HA3 -0.295 3.668 3.960 0.005 0.000 0.217 13 G C 1.577 176.397 174.900 -0.134 0.000 1.158 13 G CA 1.001 46.099 45.100 -0.004 0.000 0.771 13 G HN 0.446 nan 8.290 nan 0.000 0.545 14 L N 0.752 121.853 121.223 -0.203 0.000 2.017 14 L HA -0.019 4.324 4.340 0.005 0.000 0.208 14 L C 2.527 179.174 176.870 -0.371 0.000 1.073 14 L CA 1.464 55.954 54.840 -0.583 0.000 0.745 14 L CB -0.397 41.435 42.059 -0.378 0.000 0.894 14 L HN 0.107 nan 8.230 nan 0.000 0.432 15 I N -0.381 120.108 120.570 -0.134 0.000 2.226 15 I HA -0.277 3.896 4.170 0.005 0.000 0.245 15 I C 2.592 178.672 176.117 -0.062 0.000 1.100 15 I CA 1.454 62.728 61.300 -0.043 0.000 1.374 15 I CB -1.231 36.754 38.000 -0.025 0.000 1.057 15 I HN 0.339 nan 8.210 nan 0.000 0.413 16 L N 0.404 121.577 121.223 -0.084 0.000 2.109 16 L HA -0.112 4.231 4.340 0.005 0.000 0.207 16 L C 2.774 179.606 176.870 -0.063 0.000 1.086 16 L CA 1.078 55.879 54.840 -0.065 0.000 0.760 16 L CB -0.665 41.357 42.059 -0.061 0.000 0.910 16 L HN 0.163 nan 8.230 nan 0.000 0.437 17 A N -0.254 122.488 122.820 -0.129 0.000 1.898 17 A HA -0.187 4.136 4.320 0.005 0.000 0.216 17 A C 2.328 179.943 177.584 0.051 0.000 1.181 17 A CA 1.355 53.348 52.037 -0.074 0.000 0.620 17 A CB -0.319 18.470 19.000 -0.352 0.000 0.819 17 A HN 0.239 nan 8.150 nan 0.000 0.442 18 M N -0.524 119.042 119.600 -0.056 0.000 2.175 18 M HA -0.076 4.407 4.480 0.005 0.000 0.264 18 M C 2.490 178.805 176.300 0.024 0.000 1.063 18 M CA 1.495 56.813 55.300 0.029 0.000 1.119 18 M CB -1.244 31.409 32.600 0.088 0.000 1.377 18 M HN 0.498 nan 8.290 nan 0.000 0.415 19 A N 0.038 122.868 122.820 0.016 0.000 1.930 19 A HA 0.013 4.336 4.320 0.005 0.000 0.217 19 A C 2.359 179.944 177.584 0.002 0.000 1.175 19 A CA 1.829 53.871 52.037 0.008 0.000 0.627 19 A CB -1.244 17.753 19.000 -0.005 0.000 0.815 19 A HN 0.519 nan 8.150 nan 0.000 0.443 20 G N -0.067 108.738 108.800 0.009 0.000 2.421 20 G HA2 -0.234 3.729 3.960 0.005 0.000 0.217 20 G HA3 -0.234 3.729 3.960 0.005 0.000 0.217 20 G C 1.517 176.407 174.900 -0.016 0.000 1.143 20 G CA 1.006 46.115 45.100 0.015 0.000 0.784 20 G HN 0.548 nan 8.290 nan 0.000 0.541 21 N N 1.723 120.393 118.700 -0.050 0.000 2.058 21 N HA -0.095 4.648 4.740 0.005 0.000 0.191 21 N C 2.431 177.814 175.510 -0.212 0.000 1.037 21 N CA 1.785 54.707 53.050 -0.213 0.000 0.848 21 N CB -0.447 37.804 38.487 -0.394 0.000 1.021 21 N HN 0.228 nan 8.380 nan 0.000 0.422 22 A N 1.119 123.860 122.820 -0.132 0.000 1.854 22 A HA 0.080 4.403 4.320 0.005 0.000 0.214 22 A C 1.035 178.587 177.584 -0.054 0.000 1.192 22 A CA 0.641 52.616 52.037 -0.103 0.000 0.611 22 A CB -0.740 18.233 19.000 -0.045 0.000 0.832 22 A HN 0.094 nan 8.150 nan 0.000 0.442 23 V N 0.833 120.741 119.914 -0.011 0.000 2.403 23 V HA 0.494 4.617 4.120 0.005 0.000 0.265 23 V C 0.826 176.980 176.094 0.101 0.000 1.034 23 V CA 0.452 62.773 62.300 0.036 0.000 1.036 23 V CB -0.290 31.576 31.823 0.072 0.000 1.032 23 V HN 0.666 nan 8.190 nan 0.000 0.478 24 G N 2.971 111.856 108.800 0.141 0.000 2.896 24 G HA2 0.394 4.357 3.960 0.005 0.000 0.247 24 G HA3 0.394 4.357 3.960 0.005 0.000 0.247 24 G C 0.328 175.419 174.900 0.318 0.000 1.187 24 G CA -0.771 44.474 45.100 0.242 0.000 0.837 24 G HN 0.436 nan 8.290 nan 0.000 0.559 25 L N 1.062 122.487 121.223 0.336 0.000 2.187 25 L HA 0.011 4.354 4.340 0.005 0.000 0.213 25 L C 2.927 179.991 176.870 0.322 0.000 1.100 25 L CA 1.350 56.343 54.840 0.255 0.000 0.765 25 L CB -0.526 41.554 42.059 0.034 0.000 0.904 25 L HN 0.622 nan 8.230 nan 0.000 0.437 26 G N 0.152 109.225 108.800 0.455 0.000 2.432 26 G HA2 -0.241 3.722 3.960 0.005 0.000 0.219 26 G HA3 -0.241 3.722 3.960 0.005 0.000 0.219 26 G C 1.306 176.348 174.900 0.237 0.000 1.135 26 G CA 0.826 46.198 45.100 0.453 0.000 0.767 26 G HN 0.398 nan 8.290 nan 0.000 0.550 27 N N 0.103 118.838 118.700 0.059 0.000 2.207 27 N HA 0.031 4.774 4.740 0.005 0.000 0.182 27 N C 1.513 176.836 175.510 -0.312 0.000 1.020 27 N CA 0.920 53.816 53.050 -0.258 0.000 0.858 27 N CB -0.254 37.836 38.487 -0.663 0.000 0.991 27 N HN 0.366 nan 8.380 nan 0.000 0.427 28 F N -0.428 119.621 119.950 0.166 0.000 2.656 28 F HA 0.333 4.862 4.527 0.005 0.000 0.291 28 F C 1.638 177.574 175.800 0.227 0.000 1.122 28 F CA 0.275 58.392 58.000 0.195 0.000 1.427 28 F CB 0.098 39.136 39.000 0.064 0.000 1.125 28 F HN -0.061 nan 8.300 nan 0.000 0.583 29 L N -1.406 119.997 121.223 0.300 0.000 2.515 29 L HA 0.193 4.536 4.340 0.005 0.000 0.202 29 L C 2.417 179.368 176.870 0.134 0.000 1.056 29 L CA 0.269 55.251 54.840 0.236 0.000 0.847 29 L CB -0.317 41.885 42.059 0.239 0.000 1.131 29 L HN -0.152 nan 8.230 nan 0.000 0.484 30 R N 0.052 120.617 120.500 0.108 0.000 2.062 30 R HA -0.152 4.191 4.340 0.005 0.000 0.229 30 R C 2.372 178.677 176.300 0.008 0.000 1.128 30 R CA 1.584 57.686 56.100 0.003 0.000 0.960 30 R CB -0.271 29.988 30.300 -0.067 0.000 0.855 30 R HN 0.118 nan 8.270 nan 0.000 0.432 31 F N 2.027 121.954 119.950 -0.039 0.000 2.065 31 F HA -0.111 4.419 4.527 0.005 0.000 0.298 31 F C -1.191 174.503 175.800 -0.176 0.000 1.112 31 F CA 1.404 59.348 58.000 -0.093 0.000 1.212 31 F CB -1.067 37.881 39.000 -0.087 0.000 0.975 31 F HN 0.038 nan 8.300 nan 0.000 0.476 32 P HA -0.174 nan 4.420 nan 0.000 0.215 32 P C 2.113 179.209 177.300 -0.340 0.000 1.153 32 P CA 1.974 64.903 63.100 -0.285 0.000 0.853 32 P CB -0.077 31.613 31.700 -0.017 0.000 0.788 33 V N -0.240 119.525 119.914 -0.248 0.000 2.307 33 V HA -0.247 3.876 4.120 0.005 0.000 0.245 33 V C 2.545 178.410 176.094 -0.381 0.000 1.045 33 V CA 1.719 63.872 62.300 -0.246 0.000 1.024 33 V CB -1.154 30.562 31.823 -0.178 0.000 0.651 33 V HN 0.132 nan 8.190 nan 0.000 0.449 34 Q N 0.023 119.523 119.800 -0.498 0.000 2.084 34 Q HA -0.166 4.177 4.340 0.005 0.000 0.202 34 Q C 2.435 177.708 176.000 -1.212 0.000 0.978 34 Q CA 2.038 57.406 55.803 -0.726 0.000 0.844 34 Q CB -0.757 27.586 28.738 -0.658 0.000 0.898 34 Q HN 0.646 nan 8.270 nan 0.000 0.426 35 A N 1.182 123.181 122.820 -1.370 0.000 1.855 35 A HA -0.055 4.268 4.320 0.005 0.000 0.215 35 A C 2.363 179.585 177.584 -0.603 0.000 1.191 35 A CA 2.007 53.296 52.037 -1.247 0.000 0.613 35 A CB -0.780 17.506 19.000 -1.190 0.000 0.829 35 A HN 0.369 nan 8.150 nan 0.000 0.442 36 A N -0.652 121.950 122.820 -0.364 0.000 1.933 36 A HA -0.170 4.153 4.320 0.005 0.000 0.218 36 A C 1.974 179.516 177.584 -0.069 0.000 1.175 36 A CA 1.795 53.817 52.037 -0.025 0.000 0.628 36 A CB -0.489 18.476 19.000 -0.058 0.000 0.814 36 A HN 0.649 nan 8.150 nan 0.000 0.444 37 E N -0.206 119.865 120.200 -0.215 0.000 2.208 37 E HA -0.081 4.272 4.350 0.005 0.000 0.193 37 E C 0.361 176.867 176.600 -0.156 0.000 0.988 37 E CA 0.723 57.017 56.400 -0.177 0.000 0.828 37 E CB 0.028 29.597 29.700 -0.218 0.000 0.763 37 E HN 0.554 nan 8.360 nan 0.000 0.478 38 N N -0.553 118.010 118.700 -0.229 0.000 2.389 38 N HA 0.099 4.842 4.740 0.005 0.000 0.260 38 N C 0.039 175.498 175.510 -0.085 0.000 1.191 38 N CA 0.653 53.622 53.050 -0.134 0.000 0.885 38 N CB 1.520 39.946 38.487 -0.102 0.000 1.162 38 N HN 0.222 nan 8.380 nan 0.000 0.512 39 G N 0.413 109.180 108.800 -0.055 0.000 2.136 39 G HA2 -0.276 3.687 3.960 0.005 0.000 0.242 39 G HA3 -0.276 3.687 3.960 0.005 0.000 0.242 39 G C 0.918 175.603 174.900 -0.359 0.000 0.989 39 G CA 0.454 45.519 45.100 -0.059 0.000 0.682 39 G HN 0.677 nan 8.290 nan 0.000 0.522 40 G N -0.181 108.293 108.800 -0.543 0.000 2.686 40 G HA2 -0.062 3.901 3.960 0.005 0.000 0.329 40 G HA3 -0.062 3.901 3.960 0.005 0.000 0.329 40 G C 2.193 176.713 174.900 -0.633 0.000 1.187 40 G CA 2.138 46.627 45.100 -1.018 0.000 0.965 40 G HN 1.951 nan 8.290 nan 0.000 0.549 41 G N 0.557 108.963 108.800 -0.657 0.000 2.475 41 G HA2 0.158 4.121 3.960 0.005 0.000 0.220 41 G HA3 0.158 4.121 3.960 0.005 0.000 0.220 41 G C 2.092 176.809 174.900 -0.304 0.000 1.125 41 G CA 2.960 47.811 45.100 -0.415 0.000 0.755 41 G HN 1.842 nan 8.290 nan 0.000 0.565 42 A N 0.051 122.711 122.820 -0.268 0.000 2.015 42 A HA 0.129 4.452 4.320 0.005 0.000 0.219 42 A C 2.077 179.569 177.584 -0.154 0.000 1.163 42 A CA 1.404 53.326 52.037 -0.191 0.000 0.646 42 A CB -0.400 18.522 19.000 -0.130 0.000 0.806 42 A HN 0.452 nan 8.150 nan 0.000 0.448 43 F N -0.243 119.520 119.950 -0.311 0.000 2.293 43 F HA -0.044 4.485 4.527 0.004 0.000 0.297 43 F C 2.045 177.701 175.800 -0.241 0.000 1.089 43 F CA 1.236 59.062 58.000 -0.290 0.000 1.377 43 F CB -0.104 38.698 39.000 -0.331 0.000 1.051 43 F HN 0.058 nan 8.300 nan 0.000 0.511 44 M N 0.227 119.682 119.600 -0.241 0.000 2.149 44 M HA -0.194 4.289 4.480 0.005 0.000 0.261 44 M C 2.191 178.394 176.300 -0.161 0.000 1.064 44 M CA 1.153 56.311 55.300 -0.237 0.000 1.102 44 M CB -1.192 31.247 32.600 -0.269 0.000 1.369 44 M HN 0.169 nan 8.290 nan 0.000 0.408 45 I N 0.281 120.739 120.570 -0.187 0.000 2.142 45 I HA -0.180 3.993 4.170 0.005 0.000 0.240 45 I C -0.351 175.627 176.117 -0.232 0.000 1.078 45 I CA 1.633 62.861 61.300 -0.118 0.000 1.343 45 I CB -2.831 35.132 38.000 -0.062 0.000 1.046 45 I HN 0.115 nan 8.210 nan 0.000 0.405 46 P HA -0.194 nan 4.420 nan 0.000 0.217 46 P C 1.888 178.904 177.300 -0.473 0.000 1.150 46 P CA 1.285 63.827 63.100 -0.930 0.000 0.832 46 P CB -0.206 30.598 31.700 -1.492 0.000 0.787 47 Y N 0.332 120.275 120.300 -0.594 0.000 2.128 47 Y HA -0.199 4.355 4.550 0.005 0.000 0.284 47 Y C 2.057 177.878 175.900 -0.133 0.000 1.154 47 Y CA 1.560 59.401 58.100 -0.432 0.000 1.149 47 Y CB -0.892 37.225 38.460 -0.572 0.000 0.976 47 Y HN -0.180 nan 8.280 nan 0.000 0.505 48 I N -0.328 120.246 120.570 0.007 0.000 2.252 48 I HA -0.314 3.859 4.170 0.005 0.000 0.245 48 I C 2.250 178.399 176.117 0.053 0.000 1.102 48 I CA 1.420 62.757 61.300 0.061 0.000 1.385 48 I CB -0.355 37.725 38.000 0.133 0.000 1.064 48 I HN 0.257 nan 8.210 nan 0.000 0.414 49 I N 0.735 121.318 120.570 0.021 0.000 2.252 49 I HA -0.261 3.912 4.170 0.005 0.000 0.245 49 I C 2.783 178.893 176.117 -0.011 0.000 1.102 49 I CA 1.257 62.588 61.300 0.052 0.000 1.385 49 I CB -0.430 37.677 38.000 0.179 0.000 1.064 49 I HN 0.169 nan 8.210 nan 0.000 0.414 50 A N 0.603 123.421 122.820 -0.002 0.000 1.933 50 A HA -0.253 4.070 4.320 0.005 0.000 0.218 50 A C 2.209 179.740 177.584 -0.087 0.000 1.175 50 A CA 1.338 53.371 52.037 -0.006 0.000 0.628 50 A CB -0.892 18.167 19.000 0.098 0.000 0.814 50 A HN 0.454 nan 8.150 nan 0.000 0.444 51 F N 0.606 120.390 119.950 -0.277 0.000 2.134 51 F HA -0.112 4.418 4.527 0.005 0.000 0.299 51 F C 1.823 177.514 175.800 -0.182 0.000 1.097 51 F CA 1.625 59.455 58.000 -0.284 0.000 1.264 51 F CB -0.289 38.516 39.000 -0.326 0.000 1.001 51 F HN 0.139 nan 8.300 nan 0.000 0.479 52 L N -0.520 120.582 121.223 -0.201 0.000 2.109 52 L HA -0.140 4.203 4.340 0.005 0.000 0.207 52 L C 2.169 178.980 176.870 -0.098 0.000 1.086 52 L CA 0.934 55.665 54.840 -0.182 0.000 0.760 52 L CB -0.520 41.530 42.059 -0.015 0.000 0.910 52 L HN 0.174 nan 8.230 nan 0.000 0.437 53 L N -1.824 119.303 121.223 -0.160 0.000 2.477 53 L HA 0.041 4.384 4.340 0.005 0.000 0.220 53 L C 1.646 178.396 176.870 -0.199 0.000 1.106 53 L CA -0.021 54.709 54.840 -0.183 0.000 0.851 53 L CB 0.387 42.217 42.059 -0.383 0.000 0.994 53 L HN 0.034 nan 8.230 nan 0.000 0.462 54 V N -1.449 118.330 119.914 -0.225 0.000 3.102 54 V HA 0.203 4.326 4.120 0.005 0.000 0.225 54 V C 2.284 178.182 176.094 -0.327 0.000 1.301 54 V CA 0.942 63.123 62.300 -0.199 0.000 1.308 54 V CB -0.193 31.591 31.823 -0.066 0.000 1.129 54 V HN 0.283 nan 8.190 nan 0.000 0.502 55 G N 0.893 109.474 108.800 -0.366 0.000 2.480 55 G HA2 -0.230 3.733 3.960 0.005 0.000 0.216 55 G HA3 -0.230 3.733 3.960 0.005 0.000 0.216 55 G C 1.518 176.086 174.900 -0.553 0.000 1.200 55 G CA 1.510 46.366 45.100 -0.407 0.000 0.782 55 G HN 0.419 nan 8.290 nan 0.000 0.554 56 I N 2.034 122.100 120.570 -0.840 0.000 2.127 56 I HA -0.125 4.048 4.170 0.005 0.000 0.241 56 I C 0.203 175.787 176.117 -0.889 0.000 1.075 56 I CA 1.383 62.060 61.300 -1.038 0.000 1.334 56 I CB -1.005 36.282 38.000 -1.187 0.000 1.040 56 I HN 0.212 nan 8.210 nan 0.000 0.405 57 P HA -0.175 nan 4.420 nan 0.000 0.215 57 P C 2.025 179.236 177.300 -0.148 0.000 1.153 57 P CA 1.680 64.626 63.100 -0.258 0.000 0.853 57 P CB -0.068 31.554 31.700 -0.130 0.000 0.788 58 L N -1.851 119.247 121.223 -0.208 0.000 2.141 58 L HA -0.121 4.222 4.340 0.005 0.000 0.209 58 L C 2.795 179.619 176.870 -0.076 0.000 1.094 58 L CA 1.092 55.852 54.840 -0.134 0.000 0.763 58 L CB -0.672 41.267 42.059 -0.199 0.000 0.908 58 L HN -0.015 nan 8.230 nan 0.000 0.437 59 M N -0.649 118.850 119.600 -0.169 0.000 2.086 59 M HA -0.233 4.250 4.480 0.005 0.000 0.261 59 M C 1.965 178.328 176.300 0.105 0.000 1.067 59 M CA 1.970 57.233 55.300 -0.062 0.000 1.116 59 M CB -0.517 31.921 32.600 -0.271 0.000 1.348 59 M HN 0.148 nan 8.290 nan 0.000 0.407 60 W N 0.353 121.601 121.300 -0.086 0.000 2.358 60 W HA -0.117 4.547 4.660 0.005 0.000 0.303 60 W C 2.324 178.871 176.519 0.048 0.000 1.208 60 W CA 1.219 58.514 57.345 -0.083 0.000 1.274 60 W CB -1.192 28.164 29.460 -0.173 0.000 1.138 60 W HN 0.272 nan 8.180 nan 0.000 0.515 61 I N 0.212 120.941 120.570 0.265 0.000 2.226 61 I HA -0.295 3.878 4.170 0.005 0.000 0.245 61 I C 2.256 178.369 176.117 -0.007 0.000 1.100 61 I CA 1.505 62.905 61.300 0.166 0.000 1.374 61 I CB -0.528 37.562 38.000 0.152 0.000 1.057 61 I HN -0.031 nan 8.210 nan 0.000 0.413 62 E N -0.228 120.017 120.200 0.075 0.000 2.106 62 E HA -0.230 4.123 4.350 0.005 0.000 0.192 62 E C 2.051 178.713 176.600 0.103 0.000 0.984 62 E CA 1.287 57.715 56.400 0.048 0.000 0.806 62 E CB -0.144 29.601 29.700 0.075 0.000 0.750 62 E HN 0.499 nan 8.360 nan 0.000 0.458 63 W N 1.051 122.359 121.300 0.012 0.000 2.358 63 W HA -0.126 4.537 4.660 0.005 0.000 0.303 63 W C 2.580 179.119 176.519 0.033 0.000 1.208 63 W CA 1.418 58.795 57.345 0.053 0.000 1.274 63 W CB -0.510 29.009 29.460 0.098 0.000 1.138 63 W HN 0.068 nan 8.180 nan 0.000 0.515 64 A N -0.346 122.621 122.820 0.245 0.000 1.877 64 A HA -0.223 4.100 4.320 0.005 0.000 0.216 64 A C 1.951 179.509 177.584 -0.044 0.000 1.186 64 A CA 2.026 54.136 52.037 0.121 0.000 0.620 64 A CB -0.877 18.211 19.000 0.147 0.000 0.822 64 A HN 0.253 nan 8.150 nan 0.000 0.443 65 M N -0.590 118.828 119.600 -0.303 0.000 2.117 65 M HA -0.109 4.374 4.480 0.005 0.000 0.262 65 M C 2.303 178.590 176.300 -0.022 0.000 1.065 65 M CA 1.472 56.584 55.300 -0.315 0.000 1.114 65 M CB -0.593 31.778 32.600 -0.383 0.000 1.361 65 M HN 0.521 nan 8.290 nan 0.000 0.408 66 G N -0.097 108.702 108.800 -0.002 0.000 2.404 66 G HA2 -0.220 3.743 3.960 0.005 0.000 0.215 66 G HA3 -0.220 3.743 3.960 0.005 0.000 0.215 66 G C 1.577 176.503 174.900 0.043 0.000 1.174 66 G CA 0.761 45.867 45.100 0.010 0.000 0.780 66 G HN 0.384 nan 8.290 nan 0.000 0.537 67 R N -0.991 119.573 120.500 0.107 0.000 2.081 67 R HA -0.133 4.210 4.340 0.005 0.000 0.235 67 R C 2.250 178.634 176.300 0.141 0.000 1.131 67 R CA 1.434 57.617 56.100 0.139 0.000 0.960 67 R CB -0.517 29.904 30.300 0.201 0.000 0.856 67 R HN 0.427 nan 8.270 nan 0.000 0.436 68 Y N 0.264 120.589 120.300 0.041 0.000 2.145 68 Y HA -0.088 4.465 4.550 0.005 0.000 0.286 68 Y C 2.109 178.032 175.900 0.039 0.000 1.145 68 Y CA 2.009 60.137 58.100 0.047 0.000 1.148 68 Y CB -0.704 37.772 38.460 0.027 0.000 0.981 68 Y HN 0.159 nan 8.280 nan 0.000 0.507 69 G N -0.842 108.010 108.800 0.088 0.000 2.408 69 G HA2 -0.191 3.772 3.960 0.005 0.000 0.217 69 G HA3 -0.191 3.772 3.960 0.005 0.000 0.217 69 G C 1.897 176.780 174.900 -0.029 0.000 1.150 69 G CA 0.632 45.749 45.100 0.029 0.000 0.776 69 G HN 0.605 nan 8.290 nan 0.000 0.542 70 G N 1.152 109.921 108.800 -0.052 0.000 2.450 70 G HA2 0.025 3.988 3.960 0.005 0.000 0.220 70 G HA3 0.025 3.988 3.960 0.005 0.000 0.220 70 G C 1.996 176.853 174.900 -0.072 0.000 1.130 70 G CA 1.430 46.466 45.100 -0.105 0.000 0.760 70 G HN 0.631 nan 8.290 nan 0.000 0.557 71 A N 0.147 122.934 122.820 -0.055 0.000 2.019 71 A HA -0.041 4.282 4.320 0.005 0.000 0.219 71 A C 2.143 179.677 177.584 -0.085 0.000 1.164 71 A CA 1.571 53.577 52.037 -0.051 0.000 0.644 71 A CB -0.175 18.782 19.000 -0.072 0.000 0.805 71 A HN 0.496 nan 8.150 nan 0.000 0.449 72 Q N -1.703 118.029 119.800 -0.113 0.000 2.198 72 Q HA 0.338 4.681 4.340 0.005 0.000 0.209 72 Q C 0.773 176.663 176.000 -0.184 0.000 0.848 72 Q CA 0.214 55.965 55.803 -0.088 0.000 0.974 72 Q CB 0.470 29.194 28.738 -0.024 0.000 1.115 72 Q HN 0.816 nan 8.270 nan 0.000 0.494 73 G N 1.552 110.211 108.800 -0.234 0.000 2.137 73 G HA2 -0.204 3.759 3.960 0.005 0.000 0.237 73 G HA3 -0.204 3.759 3.960 0.005 0.000 0.237 73 G C -0.340 174.209 174.900 -0.585 0.000 1.002 73 G CA -0.234 44.635 45.100 -0.385 0.000 0.702 73 G HN 0.429 nan 8.290 nan 0.000 0.515 74 H N -0.999 118.011 119.070 -0.099 0.000 2.589 74 H HA 0.570 5.129 4.556 0.005 0.000 0.351 74 H C 0.897 176.160 175.328 -0.108 0.000 1.074 74 H CA 0.001 56.000 56.048 -0.081 0.000 1.203 74 H CB 1.692 31.435 29.762 -0.031 0.000 1.558 74 H HN 0.265 nan 8.280 nan 0.000 0.522 75 G N 1.800 110.597 108.800 -0.006 0.000 3.079 75 G HA2 0.015 3.978 3.960 0.005 0.000 0.233 75 G HA3 0.015 3.978 3.960 0.005 0.000 0.233 75 G C 0.342 175.242 174.900 0.000 0.000 1.062 75 G CA 0.098 45.145 45.100 -0.089 0.000 0.809 75 G HN 0.581 nan 8.290 nan 0.000 0.535 76 T N -2.722 111.869 114.554 0.061 0.000 2.912 76 T HA 0.437 4.790 4.350 0.005 0.000 0.288 76 T C 1.574 176.267 174.700 -0.011 0.000 1.030 76 T CA 0.430 62.559 62.100 0.048 0.000 1.020 76 T CB 1.555 70.488 68.868 0.109 0.000 1.056 76 T HN 0.043 nan 8.240 nan 0.000 0.480 77 T N -1.543 112.939 114.554 -0.119 0.000 2.849 77 T HA -0.014 4.339 4.350 0.005 0.000 0.270 77 T C -1.052 173.437 174.700 -0.352 0.000 1.066 77 T CA 0.936 62.805 62.100 -0.385 0.000 1.130 77 T CB -1.808 66.622 68.868 -0.730 0.000 0.864 77 T HN 0.451 nan 8.240 nan 0.000 0.481 78 P HA 0.046 nan 4.420 nan 0.000 0.215 78 P C 1.792 179.085 177.300 -0.012 0.000 1.153 78 P CA 1.573 64.608 63.100 -0.108 0.000 0.853 78 P CB -0.318 31.315 31.700 -0.112 0.000 0.788 79 A N -1.068 121.741 122.820 -0.017 0.000 1.878 79 A HA -0.066 4.257 4.320 0.005 0.000 0.213 79 A C 2.180 179.778 177.584 0.024 0.000 1.192 79 A CA 0.965 52.950 52.037 -0.087 0.000 0.619 79 A CB -1.431 17.366 19.000 -0.338 0.000 0.837 79 A HN 0.050 nan 8.150 nan 0.000 0.446 80 I N -1.136 119.475 120.570 0.070 0.000 2.226 80 I HA -0.238 3.935 4.170 0.005 0.000 0.245 80 I C 2.189 178.515 176.117 0.348 0.000 1.100 80 I CA 1.216 62.624 61.300 0.180 0.000 1.374 80 I CB -0.426 37.669 38.000 0.158 0.000 1.057 80 I HN 0.223 nan 8.210 nan 0.000 0.413 81 F N 0.185 120.215 119.950 0.134 0.000 2.171 81 F HA -0.255 4.275 4.527 0.005 0.000 0.300 81 F C 2.496 178.442 175.800 0.242 0.000 1.090 81 F CA 1.146 59.256 58.000 0.183 0.000 1.293 81 F CB -1.318 37.801 39.000 0.198 0.000 1.013 81 F HN 0.098 nan 8.300 nan 0.000 0.486 82 Y N 0.243 120.697 120.300 0.256 0.000 2.242 82 Y HA -0.119 4.434 4.550 0.005 0.000 0.291 82 Y C 2.157 178.146 175.900 0.149 0.000 1.137 82 Y CA 1.186 59.363 58.100 0.128 0.000 1.181 82 Y CB -0.500 37.972 38.460 0.021 0.000 0.989 82 Y HN -0.029 nan 8.280 nan 0.000 0.527 83 L N -0.782 120.536 121.223 0.159 0.000 2.093 83 L HA -0.224 4.119 4.340 0.005 0.000 0.208 83 L C 2.128 179.117 176.870 0.199 0.000 1.085 83 L CA 1.106 56.027 54.840 0.135 0.000 0.755 83 L CB -0.459 41.727 42.059 0.211 0.000 0.904 83 L HN 0.251 nan 8.230 nan 0.000 0.435 84 L N -2.359 118.981 121.223 0.196 0.000 2.270 84 L HA -0.054 4.289 4.340 0.005 0.000 0.210 84 L C 0.365 177.472 176.870 0.396 0.000 1.104 84 L CA 0.241 55.177 54.840 0.160 0.000 0.804 84 L CB 0.014 42.064 42.059 -0.016 0.000 0.937 84 L HN 0.318 nan 8.230 nan 0.000 0.450 85 W N 0.953 122.300 121.300 0.078 0.000 2.534 85 W HA 0.317 4.980 4.660 0.005 0.000 0.292 85 W C -0.487 176.003 176.519 -0.049 0.000 1.027 85 W CA -1.464 55.918 57.345 0.061 0.000 1.304 85 W CB 0.395 29.912 29.460 0.095 0.000 1.187 85 W HN -0.191 nan 8.180 nan 0.000 0.356 86 R N 4.306 124.698 120.500 -0.181 0.000 3.572 86 R HA 0.075 4.418 4.340 0.005 0.000 0.186 86 R C 0.050 176.145 176.300 -0.341 0.000 1.727 86 R CA 0.284 55.987 56.100 -0.663 0.000 1.267 86 R CB -0.413 29.588 30.300 -0.498 0.000 1.318 86 R HN 0.228 nan 8.270 nan 0.000 0.718 87 N N 0.718 119.196 118.700 -0.370 0.000 2.336 87 N HA 0.087 4.830 4.740 0.005 0.000 0.290 87 N C 0.345 175.787 175.510 -0.114 0.000 1.058 87 N CA -0.540 52.280 53.050 -0.383 0.000 0.865 87 N CB 1.535 39.322 38.487 -1.167 0.000 1.581 87 N HN 0.196 nan 8.380 nan 0.000 0.480 88 R N 2.266 122.774 120.500 0.014 0.000 2.139 88 R HA -0.141 4.202 4.340 0.005 0.000 0.243 88 R C 1.429 177.754 176.300 0.041 0.000 1.145 88 R CA 1.641 57.747 56.100 0.010 0.000 0.976 88 R CB -0.274 30.045 30.300 0.032 0.000 0.866 88 R HN 0.556 nan 8.270 nan 0.000 0.449 89 F N 0.633 120.479 119.950 -0.174 0.000 2.365 89 F HA 0.023 4.553 4.527 0.005 0.000 0.300 89 F C 1.928 177.716 175.800 -0.020 0.000 1.090 89 F CA 0.798 58.752 58.000 -0.077 0.000 1.408 89 F CB -0.376 38.598 39.000 -0.043 0.000 1.060 89 F HN 0.119 nan 8.300 nan 0.000 0.534 90 A N 0.067 122.766 122.820 -0.201 0.000 1.930 90 A HA -0.180 4.143 4.320 0.005 0.000 0.217 90 A C 2.297 180.004 177.584 0.206 0.000 1.175 90 A CA 1.598 53.677 52.037 0.070 0.000 0.627 90 A CB -0.517 18.555 19.000 0.119 0.000 0.815 90 A HN 0.403 nan 8.150 nan 0.000 0.443 91 K N -0.406 120.039 120.400 0.074 0.000 2.097 91 K HA -0.001 4.322 4.320 0.005 0.000 0.205 91 K C 1.738 178.321 176.600 -0.028 0.000 1.050 91 K CA 1.415 57.701 56.287 -0.001 0.000 0.938 91 K CB -0.314 32.106 32.500 -0.134 0.000 0.718 91 K HN 0.535 nan 8.250 nan 0.000 0.442 92 I N 1.067 121.620 120.570 -0.029 0.000 2.202 92 I HA -0.260 3.913 4.170 0.005 0.000 0.242 92 I C 2.163 178.306 176.117 0.043 0.000 1.091 92 I CA 1.125 62.409 61.300 -0.027 0.000 1.368 92 I CB -0.242 37.782 38.000 0.040 0.000 1.058 92 I HN 0.097 nan 8.210 nan 0.000 0.410 93 L N 0.562 121.812 121.223 0.045 0.000 2.131 93 L HA -0.134 4.209 4.340 0.005 0.000 0.210 93 L C 2.615 179.840 176.870 0.593 0.000 1.092 93 L CA 1.416 56.489 54.840 0.388 0.000 0.759 93 L CB -1.015 41.220 42.059 0.293 0.000 0.903 93 L HN 0.336 nan 8.230 nan 0.000 0.435 94 G N -0.631 108.369 108.800 0.334 0.000 2.470 94 G HA2 -0.167 3.796 3.960 0.005 0.000 0.220 94 G HA3 -0.167 3.796 3.960 0.005 0.000 0.220 94 G C 1.557 176.377 174.900 -0.134 0.000 1.121 94 G CA 0.624 45.674 45.100 -0.084 0.000 0.766 94 G HN 0.218 nan 8.290 nan 0.000 0.553 95 V N 0.352 120.157 119.914 -0.182 0.000 2.568 95 V HA -0.158 3.965 4.120 0.005 0.000 0.253 95 V C 2.384 178.259 176.094 -0.366 0.000 1.072 95 V CA 1.278 63.299 62.300 -0.464 0.000 1.084 95 V CB -0.638 30.645 31.823 -0.901 0.000 0.676 95 V HN 0.343 nan 8.190 nan 0.000 0.469 96 F N 1.372 121.286 119.950 -0.060 0.000 2.333 96 F HA -0.034 4.496 4.527 0.005 0.000 0.300 96 F C 2.312 177.770 175.800 -0.570 0.000 1.083 96 F CA 1.343 59.273 58.000 -0.117 0.000 1.395 96 F CB -0.924 38.016 39.000 -0.101 0.000 1.056 96 F HN 0.236 nan 8.300 nan 0.000 0.529 97 G N -0.829 107.681 108.800 -0.484 0.000 2.679 97 G HA2 -0.025 3.938 3.960 0.005 0.000 0.212 97 G HA3 -0.025 3.938 3.960 0.005 0.000 0.212 97 G C 1.472 176.263 174.900 -0.181 0.000 1.137 97 G CA 0.442 45.315 45.100 -0.380 0.000 0.787 97 G HN 0.361 nan 8.290 nan 0.000 0.534 98 L N -2.517 118.594 121.223 -0.186 0.000 2.547 98 L HA 0.280 4.623 4.340 0.005 0.000 0.218 98 L C 2.325 179.161 176.870 -0.056 0.000 1.048 98 L CA -0.187 54.555 54.840 -0.163 0.000 0.859 98 L CB -0.175 41.678 42.059 -0.344 0.000 1.128 98 L HN 0.323 nan 8.230 nan 0.000 0.483 99 W N 1.809 122.976 121.300 -0.221 0.000 2.379 99 W HA -0.127 4.536 4.660 0.005 0.000 0.307 99 W C 2.191 178.721 176.519 0.018 0.000 1.200 99 W CA 1.592 58.882 57.345 -0.092 0.000 1.297 99 W CB -0.082 29.346 29.460 -0.054 0.000 1.140 99 W HN -0.076 nan 8.180 nan 0.000 0.507 100 I N 1.943 122.584 120.570 0.118 0.000 2.127 100 I HA -0.290 3.883 4.170 0.005 0.000 0.241 100 I C -0.277 175.793 176.117 -0.078 0.000 1.075 100 I CA 1.754 63.007 61.300 -0.078 0.000 1.334 100 I CB -2.071 35.910 38.000 -0.032 0.000 1.040 100 I HN -0.039 nan 8.210 nan 0.000 0.405 101 P HA -0.182 nan 4.420 nan 0.000 0.217 101 P C 1.910 179.178 177.300 -0.053 0.000 1.150 101 P CA 1.372 64.481 63.100 0.017 0.000 0.832 101 P CB -0.031 31.676 31.700 0.013 0.000 0.787 102 L N 0.148 121.328 121.223 -0.073 0.000 2.027 102 L HA -0.098 4.245 4.340 0.005 0.000 0.206 102 L C 2.517 179.340 176.870 -0.078 0.000 1.074 102 L CA 1.694 56.505 54.840 -0.048 0.000 0.745 102 L CB -1.267 40.780 42.059 -0.019 0.000 0.898 102 L HN -0.245 nan 8.230 nan 0.000 0.433 103 V N -1.131 118.645 119.914 -0.229 0.000 2.343 103 V HA -0.265 3.858 4.120 0.005 0.000 0.247 103 V C 2.482 178.566 176.094 -0.016 0.000 1.051 103 V CA 1.622 63.808 62.300 -0.191 0.000 1.036 103 V CB -0.430 31.049 31.823 -0.573 0.000 0.654 103 V HN 0.351 nan 8.190 nan 0.000 0.451 104 V N 0.254 120.126 119.914 -0.070 0.000 2.427 104 V HA -0.222 3.901 4.120 0.005 0.000 0.248 104 V C 2.683 178.527 176.094 -0.417 0.000 1.051 104 V CA 1.856 64.018 62.300 -0.230 0.000 1.048 104 V CB -1.056 30.759 31.823 -0.015 0.000 0.666 104 V HN 0.560 nan 8.190 nan 0.000 0.456 105 A N -0.033 122.679 122.820 -0.181 0.000 1.933 105 A HA -0.177 4.146 4.320 0.005 0.000 0.218 105 A C 2.148 179.742 177.584 0.018 0.000 1.175 105 A CA 1.758 53.743 52.037 -0.085 0.000 0.628 105 A CB -0.593 18.390 19.000 -0.028 0.000 0.814 105 A HN 0.524 nan 8.150 nan 0.000 0.444 106 I N -1.149 119.451 120.570 0.051 0.000 2.423 106 I HA -0.299 3.874 4.170 0.005 0.000 0.254 106 I C 2.279 178.508 176.117 0.187 0.000 1.151 106 I CA 1.828 63.219 61.300 0.153 0.000 1.421 106 I CB -0.255 37.853 38.000 0.180 0.000 1.079 106 I HN 0.768 nan 8.210 nan 0.000 0.431 107 Y N -3.004 117.390 120.300 0.157 0.000 2.535 107 Y HA 0.109 4.662 4.550 0.005 0.000 0.264 107 Y C 2.183 178.171 175.900 0.147 0.000 1.087 107 Y CA -0.339 57.844 58.100 0.139 0.000 1.285 107 Y CB -1.012 37.533 38.460 0.142 0.000 1.200 107 Y HN -0.026 nan 8.280 nan 0.000 0.514 108 Y N 1.412 121.461 120.300 -0.419 0.000 2.200 108 Y HA -0.141 4.412 4.550 0.005 0.000 0.290 108 Y C 2.217 178.074 175.900 -0.070 0.000 1.137 108 Y CA 2.073 60.029 58.100 -0.239 0.000 1.163 108 Y CB -0.142 38.122 38.460 -0.327 0.000 0.988 108 Y HN 0.032 nan 8.280 nan 0.000 0.518 109 V N -0.547 119.503 119.914 0.227 0.000 2.515 109 V HA -0.294 3.829 4.120 0.005 0.000 0.250 109 V C 1.916 178.213 176.094 0.338 0.000 1.058 109 V CA 1.984 64.451 62.300 0.280 0.000 1.064 109 V CB -1.017 31.006 31.823 0.334 0.000 0.675 109 V HN 0.515 nan 8.190 nan 0.000 0.461 110 Y N 0.647 120.998 120.300 0.085 0.000 2.200 110 Y HA -0.144 4.410 4.550 0.005 0.000 0.290 110 Y C 2.213 177.732 175.900 -0.634 0.000 1.137 110 Y CA 1.225 59.224 58.100 -0.169 0.000 1.163 110 Y CB -0.300 37.930 38.460 -0.384 0.000 0.988 110 Y HN 0.194 nan 8.280 nan 0.000 0.518 111 I N 0.165 120.174 120.570 -0.935 0.000 2.226 111 I HA -0.298 3.875 4.170 0.005 0.000 0.245 111 I C 2.522 178.176 176.117 -0.773 0.000 1.100 111 I CA 1.875 62.225 61.300 -1.584 0.000 1.374 111 I CB -0.491 36.922 38.000 -0.980 0.000 1.057 111 I HN 0.283 nan 8.210 nan 0.000 0.413 112 E N 1.165 121.138 120.200 -0.378 0.000 2.085 112 E HA -0.273 4.080 4.350 0.005 0.000 0.194 112 E C 2.262 178.946 176.600 0.140 0.000 0.994 112 E CA 1.918 58.279 56.400 -0.065 0.000 0.801 112 E CB 0.005 29.718 29.700 0.023 0.000 0.743 112 E HN 0.544 nan 8.360 nan 0.000 0.453 113 S N -0.261 115.516 115.700 0.127 0.000 2.399 113 S HA -0.155 4.318 4.470 0.005 0.000 0.231 113 S C 1.666 176.435 174.600 0.282 0.000 1.022 113 S CA 0.895 59.254 58.200 0.265 0.000 0.983 113 S CB -0.696 62.782 63.200 0.464 0.000 0.803 113 S HN 0.424 nan 8.310 nan 0.000 0.480 114 W N 2.936 124.209 121.300 -0.045 0.000 2.363 114 W HA 0.008 4.671 4.660 0.004 0.000 0.296 114 W C 3.043 179.499 176.519 -0.105 0.000 1.212 114 W CA 1.345 58.581 57.345 -0.182 0.000 1.260 114 W CB -1.873 27.218 29.460 -0.615 0.000 1.131 114 W HN 0.628 nan 8.180 nan 0.000 0.530 115 T N -1.120 113.584 114.554 0.250 0.000 2.867 115 T HA -0.175 4.178 4.350 0.005 0.000 0.268 115 T C 1.919 176.739 174.700 0.200 0.000 1.057 115 T CA 1.360 63.599 62.100 0.233 0.000 1.136 115 T CB -0.719 68.280 68.868 0.219 0.000 0.874 115 T HN -0.002 nan 8.240 nan 0.000 0.466 116 L N 2.032 123.318 121.223 0.106 0.000 2.072 116 L HA 0.337 4.679 4.340 0.005 0.000 0.205 116 L C 2.691 179.627 176.870 0.109 0.000 1.079 116 L CA 1.999 56.747 54.840 -0.152 0.000 0.752 116 L CB -1.261 40.486 42.059 -0.519 0.000 0.906 116 L HN 0.359 nan 8.230 nan 0.000 0.436 117 G N -1.154 107.770 108.800 0.205 0.000 2.418 117 G HA2 -0.287 3.675 3.960 0.005 0.000 0.217 117 G HA3 -0.287 3.675 3.960 0.005 0.000 0.217 117 G C 1.416 176.614 174.900 0.497 0.000 1.158 117 G CA 0.876 46.194 45.100 0.364 0.000 0.771 117 G HN 0.384 nan 8.290 nan 0.000 0.545 118 F N 1.791 121.739 119.950 -0.003 0.000 2.146 118 F HA 0.115 4.645 4.527 0.005 0.000 0.298 118 F C 3.005 178.935 175.800 0.217 0.000 1.096 118 F CA 0.556 58.523 58.000 -0.055 0.000 1.275 118 F CB -0.604 37.815 39.000 -0.968 0.000 1.008 118 F HN 0.243 nan 8.300 nan 0.000 0.480 119 A N 0.400 123.479 122.820 0.431 0.000 1.883 119 A HA -0.186 4.137 4.320 0.005 0.000 0.217 119 A C 2.312 180.267 177.584 0.617 0.000 1.186 119 A CA 1.873 54.264 52.037 0.591 0.000 0.624 119 A CB -1.134 18.161 19.000 0.492 0.000 0.822 119 A HN 0.366 nan 8.150 nan 0.000 0.444 120 I N -0.515 120.336 120.570 0.469 0.000 2.127 120 I HA -0.300 3.873 4.170 0.005 0.000 0.241 120 I C 2.504 178.811 176.117 0.317 0.000 1.075 120 I CA 1.829 63.359 61.300 0.384 0.000 1.334 120 I CB -0.328 37.944 38.000 0.453 0.000 1.040 120 I HN 0.302 nan 8.210 nan 0.000 0.405 121 K N 0.112 120.726 120.400 0.358 0.000 2.097 121 K HA -0.151 4.172 4.320 0.005 0.000 0.206 121 K C 2.082 178.782 176.600 0.167 0.000 1.049 121 K CA 1.473 57.879 56.287 0.198 0.000 0.933 121 K CB -0.226 32.413 32.500 0.233 0.000 0.717 121 K HN 0.131 nan 8.250 nan 0.000 0.442 122 F N 0.929 120.995 119.950 0.193 0.000 2.206 122 F HA -0.134 4.396 4.527 0.005 0.000 0.298 122 F C 2.136 178.034 175.800 0.163 0.000 1.090 122 F CA 0.615 58.746 58.000 0.218 0.000 1.323 122 F CB -0.424 38.821 39.000 0.409 0.000 1.028 122 F HN -0.050 nan 8.300 nan 0.000 0.492 123 L N 0.451 121.836 121.223 0.270 0.000 2.017 123 L HA -0.133 4.210 4.340 0.005 0.000 0.208 123 L C 2.213 179.059 176.870 -0.040 0.000 1.073 123 L CA 1.820 56.596 54.840 -0.108 0.000 0.745 123 L CB -0.835 40.987 42.059 -0.394 0.000 0.894 123 L HN 0.099 nan 8.230 nan 0.000 0.432 124 V N -2.608 117.305 119.914 -0.002 0.000 3.623 124 V HA 0.413 4.536 4.120 0.005 0.000 0.271 124 V C 1.540 177.612 176.094 -0.038 0.000 1.248 124 V CA 0.435 62.720 62.300 -0.025 0.000 1.156 124 V CB -0.969 30.839 31.823 -0.025 0.000 0.870 124 V HN 0.679 nan 8.190 nan 0.000 0.453 125 G N 0.953 109.728 108.800 -0.042 0.000 2.143 125 G HA2 -0.250 3.713 3.960 0.005 0.000 0.248 125 G HA3 -0.250 3.713 3.960 0.005 0.000 0.248 125 G C 0.050 174.862 174.900 -0.147 0.000 0.991 125 G CA 0.382 45.428 45.100 -0.090 0.000 0.689 125 G HN 0.617 nan 8.290 nan 0.000 0.522 126 L N 1.114 122.249 121.223 -0.148 0.000 2.480 126 L HA 0.471 4.814 4.340 0.005 0.000 0.243 126 L C 0.867 177.609 176.870 -0.213 0.000 1.315 126 L CA -0.531 54.225 54.840 -0.140 0.000 1.231 126 L CB 0.025 42.019 42.059 -0.108 0.000 1.444 126 L HN 0.293 nan 8.230 nan 0.000 0.409 127 V N -1.306 118.381 119.914 -0.378 0.000 3.074 127 V HA 0.721 4.844 4.120 0.005 0.000 0.314 127 V C -2.310 173.466 176.094 -0.530 0.000 1.117 127 V CA -2.078 59.795 62.300 -0.711 0.000 1.014 127 V CB 1.488 32.676 31.823 -1.059 0.000 1.057 127 V HN 0.198 nan 8.190 nan 0.000 0.438 128 P HA 0.337 nan 4.420 nan 0.000 0.269 128 P C -0.362 176.695 177.300 -0.405 0.000 1.209 128 P CA 0.512 63.285 63.100 -0.545 0.000 0.776 128 P CB 0.585 31.802 31.700 -0.804 0.000 0.876 129 E N 2.905 122.966 120.200 -0.231 0.000 2.042 129 E HA 0.413 4.766 4.350 0.005 0.000 0.260 129 E C -2.342 174.217 176.600 -0.069 0.000 0.975 129 E CA -1.894 54.437 56.400 -0.116 0.000 0.799 129 E CB -0.627 29.026 29.700 -0.078 0.000 1.131 129 E HN 0.401 nan 8.360 nan 0.000 0.423 130 P HA 0.171 nan 4.420 nan 0.000 0.271 130 P C -2.393 174.940 177.300 0.054 0.000 1.238 130 P CA -0.738 62.405 63.100 0.071 0.000 0.794 130 P CB 0.392 32.229 31.700 0.228 0.000 0.959 131 P HA 0.418 nan 4.420 nan 0.000 0.300 131 P C -2.620 174.711 177.300 0.051 0.000 1.326 131 P CA -1.307 61.820 63.100 0.044 0.000 0.844 131 P CB 0.815 32.535 31.700 0.034 0.000 0.992 136 D N 3.375 123.822 120.400 0.079 0.000 2.336 136 D HA 0.323 4.966 4.640 0.005 0.000 0.249 136 D C -0.443 175.927 176.300 0.116 0.000 1.213 136 D CA -2.031 52.017 54.000 0.082 0.000 0.870 136 D CB 1.782 42.616 40.800 0.056 0.000 1.076 136 D HN 0.107 nan 8.370 nan 0.000 0.483 137 P HA -0.234 nan 4.420 nan 0.000 0.219 137 P C 0.707 178.074 177.300 0.113 0.000 1.158 137 P CA 1.255 64.485 63.100 0.217 0.000 0.895 137 P CB 0.404 32.229 31.700 0.209 0.000 0.792 138 D N -0.816 119.617 120.400 0.055 0.000 2.149 138 D HA -0.106 4.537 4.640 0.005 0.000 0.201 138 D C 2.235 178.568 176.300 0.055 0.000 0.972 138 D CA 1.460 55.478 54.000 0.029 0.000 0.835 138 D CB -0.618 40.187 40.800 0.008 0.000 0.966 138 D HN 0.133 nan 8.370 nan 0.000 0.476 139 S N -0.750 114.988 115.700 0.065 0.000 2.442 139 S HA -0.071 4.402 4.470 0.005 0.000 0.236 139 S C 1.888 176.549 174.600 0.101 0.000 1.007 139 S CA 0.624 58.864 58.200 0.066 0.000 0.965 139 S CB -0.225 63.010 63.200 0.058 0.000 0.773 139 S HN 0.262 nan 8.310 nan 0.000 0.504 140 I N 0.114 120.768 120.570 0.141 0.000 2.628 140 I HA 0.077 4.250 4.170 0.005 0.000 0.255 140 I C 2.064 178.343 176.117 0.271 0.000 1.119 140 I CA 0.577 62.000 61.300 0.205 0.000 1.448 140 I CB -0.029 38.104 38.000 0.221 0.000 1.133 140 I HN 0.285 nan 8.210 nan 0.000 0.438 141 L N 0.092 121.436 121.223 0.202 0.000 2.209 141 L HA -0.068 4.275 4.340 0.005 0.000 0.207 141 L C 2.648 179.625 176.870 0.178 0.000 1.094 141 L CA 0.714 55.671 54.840 0.194 0.000 0.790 141 L CB -0.473 41.623 42.059 0.063 0.000 0.932 141 L HN 0.168 nan 8.230 nan 0.000 0.447 142 R N 0.637 121.193 120.500 0.094 0.000 2.096 142 R HA -0.192 4.151 4.340 0.005 0.000 0.240 142 R C -0.441 175.875 176.300 0.027 0.000 1.139 142 R CA 1.926 58.045 56.100 0.031 0.000 0.952 142 R CB -1.074 29.231 30.300 0.008 0.000 0.854 142 R HN 0.222 nan 8.270 nan 0.000 0.436 143 P HA -0.130 nan 4.420 nan 0.000 0.216 143 P C 0.625 177.840 177.300 -0.142 0.000 1.150 143 P CA 1.378 64.422 63.100 -0.094 0.000 0.837 143 P CB -0.053 31.538 31.700 -0.182 0.000 0.786 144 F N -0.306 119.688 119.950 0.074 0.000 2.293 144 F HA 0.007 4.537 4.527 0.006 0.000 0.297 144 F C 2.357 178.273 175.800 0.194 0.000 1.089 144 F CA 1.152 59.245 58.000 0.155 0.000 1.377 144 F CB -0.493 38.602 39.000 0.159 0.000 1.051 144 F HN -0.193 nan 8.300 nan 0.000 0.511 145 K N 0.747 121.262 120.400 0.191 0.000 2.057 145 K HA -0.167 4.156 4.320 0.005 0.000 0.206 145 K C 1.813 178.313 176.600 -0.167 0.000 1.050 145 K CA 1.592 57.845 56.287 -0.057 0.000 0.935 145 K CB -0.086 32.262 32.500 -0.254 0.000 0.715 145 K HN 0.259 nan 8.250 nan 0.000 0.439 146 E N -0.296 119.857 120.200 -0.080 0.000 2.153 146 E HA -0.204 4.149 4.350 0.005 0.000 0.194 146 E C 1.807 178.469 176.600 0.104 0.000 0.988 146 E CA 1.022 57.409 56.400 -0.021 0.000 0.811 146 E CB -0.181 29.510 29.700 -0.015 0.000 0.746 146 E HN 0.285 nan 8.360 nan 0.000 0.466 147 F N 1.549 121.489 119.950 -0.015 0.000 2.075 147 F HA -0.203 4.327 4.527 0.005 0.000 0.297 147 F C 2.146 178.012 175.800 0.109 0.000 1.113 147 F CA 1.149 59.140 58.000 -0.014 0.000 1.218 147 F CB -0.216 38.737 39.000 -0.078 0.000 0.984 147 F HN -0.005 nan 8.300 nan 0.000 0.472 148 L N -0.461 121.005 121.223 0.405 0.000 2.017 148 L HA -0.224 4.119 4.340 0.005 0.000 0.208 148 L C 2.134 179.142 176.870 0.230 0.000 1.073 148 L CA 1.866 56.941 54.840 0.392 0.000 0.745 148 L CB -1.409 40.933 42.059 0.471 0.000 0.894 148 L HN 0.165 nan 8.230 nan 0.000 0.432 149 Y N -0.117 120.180 120.300 -0.004 0.000 2.207 149 Y HA -0.164 4.389 4.550 0.005 0.000 0.287 149 Y C 2.835 178.680 175.900 -0.092 0.000 1.156 149 Y CA 1.229 59.293 58.100 -0.060 0.000 1.182 149 Y CB -1.159 37.291 38.460 -0.016 0.000 0.979 149 Y HN 0.265 nan 8.280 nan 0.000 0.521 150 S N -1.457 114.286 115.700 0.070 0.000 2.436 150 S HA -0.141 4.332 4.470 0.005 0.000 0.228 150 S C 1.764 176.304 174.600 -0.100 0.000 1.014 150 S CA 0.536 58.715 58.200 -0.036 0.000 0.950 150 S CB -0.451 62.709 63.200 -0.066 0.000 0.784 150 S HN 0.542 nan 8.310 nan 0.000 0.504 151 Y N 2.838 122.980 120.300 -0.262 0.000 2.153 151 Y HA -0.004 4.549 4.550 0.005 0.000 0.289 151 Y C 1.953 177.673 175.900 -0.301 0.000 1.127 151 Y CA 1.597 59.526 58.100 -0.286 0.000 1.131 151 Y CB -0.168 38.106 38.460 -0.310 0.000 0.995 151 Y HN 0.294 nan 8.280 nan 0.000 0.505 152 I N -2.685 117.741 120.570 -0.241 0.000 3.419 152 I HA 0.332 4.505 4.170 0.005 0.000 0.286 152 I C 1.316 177.265 176.117 -0.280 0.000 1.268 152 I CA 0.802 61.863 61.300 -0.399 0.000 1.414 152 I CB -0.517 37.050 38.000 -0.721 0.000 1.074 152 I HN 0.308 nan 8.210 nan 0.000 0.457 153 G N 2.433 111.103 108.800 -0.217 0.000 2.291 153 G HA2 -0.186 3.777 3.960 0.005 0.000 0.271 153 G HA3 -0.186 3.777 3.960 0.005 0.000 0.271 153 G C 0.007 174.804 174.900 -0.172 0.000 1.099 153 G CA 0.099 45.101 45.100 -0.164 0.000 0.919 153 G HN 0.278 nan 8.290 nan 0.000 0.496 154 V N 0.794 120.571 119.914 -0.230 0.000 2.694 154 V HA 0.192 4.315 4.120 0.005 0.000 0.306 154 V C -0.913 175.088 176.094 -0.154 0.000 1.054 154 V CA -0.486 61.640 62.300 -0.290 0.000 1.161 154 V CB 0.712 32.156 31.823 -0.631 0.000 0.916 154 V HN 0.356 nan 8.190 nan 0.000 0.490 155 P HA 0.113 nan 4.420 nan 0.000 0.263 155 P C 0.166 177.442 177.300 -0.039 0.000 1.195 155 P CA 0.196 63.251 63.100 -0.075 0.000 0.762 155 P CB 0.348 31.996 31.700 -0.086 0.000 0.799 156 K N 1.474 121.866 120.400 -0.014 0.000 2.354 156 K HA 0.172 4.495 4.320 0.005 0.000 0.194 156 K C 1.325 177.930 176.600 0.007 0.000 1.045 156 K CA 0.203 56.497 56.287 0.011 0.000 1.026 156 K CB 0.455 32.965 32.500 0.018 0.000 0.866 156 K HN 0.544 nan 8.250 nan 0.000 0.530 157 G N 0.289 109.088 108.800 -0.002 0.000 3.019 157 G HA2 0.183 4.146 3.960 0.005 0.000 0.152 157 G HA3 0.183 4.146 3.960 0.005 0.000 0.152 157 G C 0.389 175.286 174.900 -0.005 0.000 1.320 157 G CA 0.469 45.570 45.100 0.002 0.000 1.013 157 G HN 0.095 nan 8.290 nan 0.000 0.593 158 D N -0.628 119.774 120.400 0.003 0.000 2.338 158 D HA 0.216 4.859 4.640 0.005 0.000 0.208 158 D C 0.995 177.287 176.300 -0.014 0.000 0.997 158 D CA 0.321 54.322 54.000 0.002 0.000 0.880 158 D CB -0.201 40.617 40.800 0.030 0.000 0.980 158 D HN 0.511 nan 8.370 nan 0.000 0.509 159 E N 1.103 121.301 120.200 -0.002 0.000 2.384 159 E HA 0.173 4.526 4.350 0.005 0.000 0.266 159 E C -1.924 174.635 176.600 -0.068 0.000 1.012 159 E CA -1.177 55.220 56.400 -0.005 0.000 0.901 159 E CB 1.258 30.970 29.700 0.020 0.000 0.967 159 E HN 0.319 nan 8.360 nan 0.000 0.435 160 P HA 0.123 nan 4.420 nan 0.000 0.235 160 P C -0.656 176.579 177.300 -0.109 0.000 1.725 160 P CA 0.245 63.229 63.100 -0.193 0.000 0.894 160 P CB -0.035 31.455 31.700 -0.349 0.000 1.704 161 I N 1.010 121.545 120.570 -0.059 0.000 2.441 161 I HA 0.336 4.509 4.170 0.005 0.000 0.295 161 I C 0.686 176.791 176.117 -0.020 0.000 0.994 161 I CA -1.296 59.996 61.300 -0.013 0.000 1.144 161 I CB 1.879 39.891 38.000 0.020 0.000 1.314 161 I HN -0.059 nan 8.210 nan 0.000 0.445 162 L N 5.326 126.544 121.223 -0.008 0.000 2.334 162 L HA 0.491 4.834 4.340 0.005 0.000 0.275 162 L C 0.309 177.158 176.870 -0.036 0.000 1.036 162 L CA -0.608 54.191 54.840 -0.069 0.000 0.807 162 L CB 1.271 43.249 42.059 -0.135 0.000 1.231 162 L HN 0.500 nan 8.230 nan 0.000 0.438 163 K N 3.168 123.518 120.400 -0.084 0.000 2.753 163 K HA 0.370 4.693 4.320 0.005 0.000 0.185 163 K C -2.554 173.962 176.600 -0.140 0.000 1.071 163 K CA -1.590 54.667 56.287 -0.049 0.000 0.999 163 K CB 1.045 33.544 32.500 -0.002 0.000 1.244 163 K HN 0.176 nan 8.250 nan 0.000 0.594 164 P HA -0.077 nan 4.420 nan 0.000 0.265 164 P C -0.319 176.870 177.300 -0.184 0.000 1.187 164 P CA 0.045 62.988 63.100 -0.261 0.000 0.766 164 P CB 0.829 32.338 31.700 -0.319 0.000 0.820 165 S N 2.600 118.164 115.700 -0.228 0.000 2.589 165 S HA 0.028 4.501 4.470 0.005 0.000 0.265 165 S C 1.121 175.679 174.600 -0.070 0.000 1.342 165 S CA -0.508 57.604 58.200 -0.146 0.000 1.005 165 S CB 0.093 63.190 63.200 -0.173 0.000 0.909 165 S HN 0.372 nan 8.310 nan 0.000 0.555 166 L N 1.035 122.265 121.223 0.011 0.000 2.083 166 L HA 0.059 4.402 4.340 0.005 0.000 0.209 166 L C 1.987 178.946 176.870 0.149 0.000 1.083 166 L CA 1.732 56.625 54.840 0.089 0.000 0.752 166 L CB -1.311 40.800 42.059 0.087 0.000 0.899 166 L HN 0.827 nan 8.230 nan 0.000 0.433 167 F N 0.538 120.464 119.950 -0.039 0.000 2.095 167 F HA -0.179 4.351 4.527 0.005 0.000 0.298 167 F C 2.318 178.087 175.800 -0.050 0.000 1.104 167 F CA 1.512 59.500 58.000 -0.019 0.000 1.232 167 F CB -0.858 38.126 39.000 -0.027 0.000 0.987 167 F HN 0.161 nan 8.300 nan 0.000 0.475 168 A N -0.659 121.927 122.820 -0.390 0.000 1.908 168 A HA -0.270 4.053 4.320 0.005 0.000 0.218 168 A C 2.175 179.706 177.584 -0.088 0.000 1.181 168 A CA 1.789 53.467 52.037 -0.598 0.000 0.627 168 A CB -1.718 16.668 19.000 -1.023 0.000 0.818 168 A HN 0.592 nan 8.150 nan 0.000 0.445 169 Y N 0.580 120.822 120.300 -0.097 0.000 2.145 169 Y HA -0.198 4.355 4.550 0.005 0.000 0.286 169 Y C 2.098 178.083 175.900 0.142 0.000 1.145 169 Y CA 1.666 59.802 58.100 0.060 0.000 1.148 169 Y CB -0.077 38.415 38.460 0.054 0.000 0.981 169 Y HN 0.248 nan 8.280 nan 0.000 0.507 170 I N -0.885 119.762 120.570 0.129 0.000 2.286 170 I HA -0.236 3.937 4.170 0.005 0.000 0.248 170 I C 2.368 178.456 176.117 -0.049 0.000 1.115 170 I CA 1.095 62.424 61.300 0.050 0.000 1.392 170 I CB -1.576 36.476 38.000 0.086 0.000 1.065 170 I HN 0.127 nan 8.210 nan 0.000 0.418 171 V N 0.640 120.466 119.914 -0.147 0.000 2.515 171 V HA -0.264 3.859 4.120 0.005 0.000 0.250 171 V C 2.350 178.482 176.094 0.064 0.000 1.058 171 V CA 1.387 63.610 62.300 -0.129 0.000 1.064 171 V CB -0.800 30.851 31.823 -0.288 0.000 0.675 171 V HN 0.273 nan 8.190 nan 0.000 0.461 172 F N 0.408 120.351 119.950 -0.012 0.000 2.146 172 F HA -0.123 4.407 4.527 0.005 0.000 0.298 172 F C 1.976 177.805 175.800 0.047 0.000 1.096 172 F CA 1.455 59.498 58.000 0.073 0.000 1.275 172 F CB -0.309 38.733 39.000 0.070 0.000 1.008 172 F HN 0.038 nan 8.300 nan 0.000 0.480 173 L N -0.152 120.995 121.223 -0.126 0.000 2.017 173 L HA -0.252 4.091 4.340 0.005 0.000 0.208 173 L C 2.506 179.285 176.870 -0.153 0.000 1.073 173 L CA 1.527 56.230 54.840 -0.227 0.000 0.745 173 L CB -0.631 41.333 42.059 -0.158 0.000 0.894 173 L HN 0.153 nan 8.230 nan 0.000 0.432 174 I N -0.869 119.662 120.570 -0.064 0.000 2.226 174 I HA -0.283 3.890 4.170 0.005 0.000 0.245 174 I C 2.460 178.632 176.117 0.091 0.000 1.100 174 I CA 1.486 62.800 61.300 0.025 0.000 1.374 174 I CB -0.531 37.479 38.000 0.017 0.000 1.057 174 I HN 0.258 nan 8.210 nan 0.000 0.413 175 T N 0.772 115.350 114.554 0.039 0.000 2.720 175 T HA -0.166 4.187 4.350 0.005 0.000 0.268 175 T C 1.954 176.651 174.700 -0.006 0.000 1.037 175 T CA 1.251 63.414 62.100 0.105 0.000 1.144 175 T CB -0.110 68.853 68.868 0.159 0.000 0.864 175 T HN 0.154 nan 8.240 nan 0.000 0.444 176 M N 0.407 119.894 119.600 -0.187 0.000 2.117 176 M HA 0.044 4.527 4.480 0.005 0.000 0.262 176 M C 2.093 178.336 176.300 -0.095 0.000 1.065 176 M CA 1.228 56.403 55.300 -0.208 0.000 1.114 176 M CB -1.256 31.130 32.600 -0.357 0.000 1.361 176 M HN 0.287 nan 8.290 nan 0.000 0.408 177 F N 1.151 120.998 119.950 -0.171 0.000 2.134 177 F HA -0.165 4.365 4.527 0.005 0.000 0.299 177 F C 2.104 177.853 175.800 -0.084 0.000 1.097 177 F CA 1.414 59.339 58.000 -0.125 0.000 1.264 177 F CB -0.295 38.641 39.000 -0.107 0.000 1.001 177 F HN 0.009 nan 8.300 nan 0.000 0.479 178 I N 0.323 120.864 120.570 -0.049 0.000 2.252 178 I HA -0.322 3.851 4.170 0.005 0.000 0.245 178 I C 2.267 178.227 176.117 -0.263 0.000 1.102 178 I CA 1.277 62.499 61.300 -0.129 0.000 1.385 178 I CB -0.683 37.395 38.000 0.131 0.000 1.064 178 I HN 0.225 nan 8.210 nan 0.000 0.414 179 N N 0.610 119.194 118.700 -0.194 0.000 2.120 179 N HA -0.148 4.595 4.740 0.005 0.000 0.188 179 N C 1.984 177.345 175.510 -0.248 0.000 1.024 179 N CA 1.368 54.287 53.050 -0.217 0.000 0.852 179 N CB -0.093 38.317 38.487 -0.129 0.000 1.003 179 N HN 0.152 nan 8.380 nan 0.000 0.424 180 V N 1.742 121.499 119.914 -0.262 0.000 2.343 180 V HA -0.226 3.897 4.120 0.005 0.000 0.247 180 V C 2.611 178.502 176.094 -0.338 0.000 1.051 180 V CA 2.021 64.161 62.300 -0.266 0.000 1.036 180 V CB -0.746 30.923 31.823 -0.257 0.000 0.654 180 V HN 0.452 nan 8.190 nan 0.000 0.451 181 S N -0.204 115.196 115.700 -0.501 0.000 2.419 181 S HA -0.161 4.312 4.470 0.005 0.000 0.235 181 S C 1.853 176.269 174.600 -0.307 0.000 1.019 181 S CA 1.814 59.737 58.200 -0.461 0.000 0.982 181 S CB -0.556 62.300 63.200 -0.572 0.000 0.789 181 S HN 0.577 nan 8.310 nan 0.000 0.490 182 I N 0.796 121.172 120.570 -0.323 0.000 2.296 182 I HA 0.014 4.187 4.170 0.005 0.000 0.242 182 I C 2.395 178.383 176.117 -0.214 0.000 1.087 182 I CA 0.719 61.844 61.300 -0.291 0.000 1.393 182 I CB -0.329 37.407 38.000 -0.439 0.000 1.093 182 I HN 0.230 nan 8.210 nan 0.000 0.421 183 L N 0.470 121.572 121.223 -0.202 0.000 2.079 183 L HA -0.214 4.129 4.340 0.005 0.000 0.210 183 L C 2.514 179.295 176.870 -0.149 0.000 1.081 183 L CA 1.380 56.127 54.840 -0.155 0.000 0.752 183 L CB -0.372 41.616 42.059 -0.118 0.000 0.896 183 L HN 0.263 nan 8.230 nan 0.000 0.433 184 I N -0.449 120.029 120.570 -0.155 0.000 2.756 184 I HA -0.218 3.955 4.170 0.005 0.000 0.262 184 I C 2.327 178.363 176.117 -0.134 0.000 1.225 184 I CA 1.024 62.243 61.300 -0.135 0.000 1.472 184 I CB -0.071 37.846 38.000 -0.137 0.000 1.094 184 I HN 0.161 nan 8.210 nan 0.000 0.454 185 R N 0.622 121.035 120.500 -0.144 0.000 2.297 185 R HA 0.243 4.586 4.340 0.005 0.000 0.197 185 R C 0.982 177.187 176.300 -0.159 0.000 0.943 185 R CA 0.513 56.534 56.100 -0.131 0.000 1.038 185 R CB 0.132 30.365 30.300 -0.111 0.000 0.957 185 R HN 0.488 nan 8.270 nan 0.000 0.484 186 G N 1.009 109.693 108.800 -0.193 0.000 2.660 186 G HA2 -0.246 3.717 3.960 0.005 0.000 0.215 186 G HA3 -0.246 3.717 3.960 0.005 0.000 0.215 186 G C 0.454 175.144 174.900 -0.351 0.000 1.345 186 G CA -0.497 44.440 45.100 -0.271 0.000 0.877 186 G HN -0.045 nan 8.290 nan 0.000 0.549 187 I N 1.248 121.494 120.570 -0.540 0.000 2.110 187 I HA -0.101 4.072 4.170 0.005 0.000 0.236 187 I C 3.254 179.081 176.117 -0.484 0.000 1.068 187 I CA 2.964 63.806 61.300 -0.764 0.000 1.333 187 I CB -1.829 35.381 38.000 -1.317 0.000 1.054 187 I HN 0.923 nan 8.210 nan 0.000 0.402 188 S N 0.857 116.337 115.700 -0.367 0.000 2.371 188 S HA -0.098 4.375 4.470 0.005 0.000 0.224 188 S C 1.815 176.369 174.600 -0.077 0.000 1.029 188 S CA 0.705 58.816 58.200 -0.149 0.000 0.978 188 S CB -0.393 62.740 63.200 -0.111 0.000 0.833 188 S HN 0.400 nan 8.310 nan 0.000 0.466 189 K N 0.987 121.323 120.400 -0.107 0.000 2.426 189 K HA 0.234 4.557 4.320 0.005 0.000 0.193 189 K C 1.693 178.259 176.600 -0.057 0.000 1.028 189 K CA 0.517 56.765 56.287 -0.065 0.000 1.047 189 K CB 0.166 32.623 32.500 -0.072 0.000 0.821 189 K HN 0.528 nan 8.250 nan 0.000 0.513 190 G N 0.945 109.691 108.800 -0.089 0.000 2.534 190 G HA2 0.030 3.993 3.960 0.005 0.000 0.220 190 G HA3 0.030 3.993 3.960 0.005 0.000 0.220 190 G C 1.272 176.164 174.900 -0.014 0.000 1.699 190 G CA -0.292 44.762 45.100 -0.077 0.000 0.769 190 G HN -0.036 nan 8.290 nan 0.000 0.632 191 I N 0.939 121.481 120.570 -0.048 0.000 2.127 191 I HA -0.163 4.010 4.170 0.005 0.000 0.241 191 I C 2.690 178.909 176.117 0.169 0.000 1.075 191 I CA 1.773 63.108 61.300 0.058 0.000 1.334 191 I CB -0.196 37.797 38.000 -0.012 0.000 1.040 191 I HN 0.359 nan 8.210 nan 0.000 0.405 192 E N 1.093 121.411 120.200 0.196 0.000 2.051 192 E HA -0.290 4.063 4.350 0.005 0.000 0.192 192 E C 2.354 179.022 176.600 0.114 0.000 0.991 192 E CA 1.305 57.843 56.400 0.230 0.000 0.799 192 E CB 0.008 29.897 29.700 0.316 0.000 0.748 192 E HN 0.229 nan 8.360 nan 0.000 0.449 193 R N -0.438 120.115 120.500 0.089 0.000 2.091 193 R HA -0.185 4.158 4.340 0.005 0.000 0.238 193 R C 2.211 178.555 176.300 0.074 0.000 1.136 193 R CA 1.769 57.909 56.100 0.067 0.000 0.959 193 R CB -0.515 29.819 30.300 0.056 0.000 0.856 193 R HN 0.240 nan 8.270 nan 0.000 0.437 194 F N 0.662 120.586 119.950 -0.043 0.000 2.146 194 F HA -0.026 4.504 4.527 0.005 0.000 0.298 194 F C 2.024 177.769 175.800 -0.092 0.000 1.096 194 F CA 1.321 59.271 58.000 -0.084 0.000 1.275 194 F CB -0.594 38.330 39.000 -0.127 0.000 1.008 194 F HN 0.127 nan 8.300 nan 0.000 0.480 195 A N 0.223 122.989 122.820 -0.090 0.000 1.940 195 A HA -0.219 4.104 4.320 0.005 0.000 0.219 195 A C 2.230 179.707 177.584 -0.179 0.000 1.176 195 A CA 1.773 53.715 52.037 -0.158 0.000 0.631 195 A CB -0.696 18.292 19.000 -0.020 0.000 0.814 195 A HN 0.456 nan 8.150 nan 0.000 0.446 196 K N -0.789 119.544 120.400 -0.112 0.000 2.283 196 K HA 0.037 4.360 4.320 0.005 0.000 0.202 196 K C 1.453 177.994 176.600 -0.099 0.000 1.048 196 K CA 1.128 57.369 56.287 -0.077 0.000 0.948 196 K CB -0.182 32.301 32.500 -0.028 0.000 0.742 196 K HN 0.596 nan 8.250 nan 0.000 0.458 197 I N -0.294 120.161 120.570 -0.192 0.000 2.810 197 I HA -0.056 4.117 4.170 0.005 0.000 0.262 197 I C 2.325 178.317 176.117 -0.209 0.000 1.131 197 I CA 0.356 61.557 61.300 -0.165 0.000 1.453 197 I CB -0.092 37.808 38.000 -0.167 0.000 1.161 197 I HN 0.005 nan 8.210 nan 0.000 0.444 198 A N 1.176 123.660 122.820 -0.559 0.000 1.872 198 A HA -0.141 4.182 4.320 0.005 0.000 0.214 198 A C 2.303 179.820 177.584 -0.113 0.000 1.187 198 A CA 1.276 52.997 52.037 -0.528 0.000 0.614 198 A CB -0.359 17.895 19.000 -1.244 0.000 0.826 198 A HN 0.206 nan 8.150 nan 0.000 0.442 199 M N -0.543 118.983 119.600 -0.123 0.000 2.117 199 M HA -0.064 4.419 4.480 0.005 0.000 0.262 199 M C -0.382 175.970 176.300 0.085 0.000 1.065 199 M CA 1.450 56.749 55.300 -0.001 0.000 1.114 199 M CB -2.556 30.027 32.600 -0.028 0.000 1.361 199 M HN 0.135 nan 8.290 nan 0.000 0.408 200 P HA -0.069 nan 4.420 nan 0.000 0.216 200 P C 1.561 178.970 177.300 0.183 0.000 1.153 200 P CA 1.428 64.610 63.100 0.137 0.000 0.848 200 P CB -0.204 31.547 31.700 0.084 0.000 0.787 201 T N -0.049 114.598 114.554 0.156 0.000 2.746 201 T HA -0.148 4.205 4.350 0.005 0.000 0.267 201 T C 1.732 176.515 174.700 0.139 0.000 1.039 201 T CA 0.959 63.157 62.100 0.163 0.000 1.142 201 T CB -0.979 68.039 68.868 0.250 0.000 0.866 201 T HN 0.053 nan 8.240 nan 0.000 0.444 202 L N 0.053 121.380 121.223 0.174 0.000 2.012 202 L HA -0.084 4.259 4.340 0.005 0.000 0.210 202 L C 2.277 179.239 176.870 0.154 0.000 1.073 202 L CA 1.638 56.557 54.840 0.132 0.000 0.748 202 L CB -0.376 41.780 42.059 0.161 0.000 0.891 202 L HN 0.218 nan 8.230 nan 0.000 0.431 203 F N 0.668 120.658 119.950 0.067 0.000 2.095 203 F HA -0.264 4.266 4.527 0.005 0.000 0.298 203 F C 2.140 177.979 175.800 0.064 0.000 1.104 203 F CA 1.862 59.906 58.000 0.073 0.000 1.232 203 F CB -0.365 38.669 39.000 0.057 0.000 0.987 203 F HN 0.015 nan 8.300 nan 0.000 0.475 204 I N -0.076 120.447 120.570 -0.078 0.000 2.179 204 I HA -0.340 3.833 4.170 0.005 0.000 0.242 204 I C 2.480 178.527 176.117 -0.117 0.000 1.088 204 I CA 1.395 62.590 61.300 -0.175 0.000 1.357 204 I CB -0.632 37.355 38.000 -0.021 0.000 1.051 204 I HN 0.193 nan 8.210 nan 0.000 0.409 205 L N 0.466 121.659 121.223 -0.050 0.000 2.042 205 L HA -0.228 4.115 4.340 0.005 0.000 0.210 205 L C 2.856 179.717 176.870 -0.014 0.000 1.076 205 L CA 1.462 56.290 54.840 -0.021 0.000 0.749 205 L CB -0.709 41.320 42.059 -0.049 0.000 0.893 205 L HN 0.262 nan 8.230 nan 0.000 0.432 206 A N -0.502 122.277 122.820 -0.069 0.000 1.902 206 A HA -0.141 4.182 4.320 0.005 0.000 0.217 206 A C 2.313 179.850 177.584 -0.079 0.000 1.181 206 A CA 1.703 53.714 52.037 -0.043 0.000 0.623 206 A CB -0.786 18.260 19.000 0.077 0.000 0.818 206 A HN 0.196 nan 8.150 nan 0.000 0.443 207 V N -1.194 118.592 119.914 -0.213 0.000 2.343 207 V HA -0.229 3.894 4.120 0.005 0.000 0.247 207 V C 2.274 178.276 176.094 -0.153 0.000 1.051 207 V CA 2.084 64.230 62.300 -0.257 0.000 1.036 207 V CB -0.948 30.594 31.823 -0.468 0.000 0.654 207 V HN 0.626 nan 8.190 nan 0.000 0.451 208 F N 0.426 120.249 119.950 -0.211 0.000 2.095 208 F HA -0.188 4.342 4.527 0.006 0.000 0.298 208 F C 2.043 177.750 175.800 -0.155 0.000 1.104 208 F CA 1.666 59.571 58.000 -0.157 0.000 1.232 208 F CB -0.305 38.623 39.000 -0.119 0.000 0.987 208 F HN 0.026 nan 8.300 nan 0.000 0.475 209 L N -0.852 120.273 121.223 -0.163 0.000 2.083 209 L HA -0.218 4.125 4.340 0.005 0.000 0.209 209 L C 2.382 179.083 176.870 -0.281 0.000 1.083 209 L CA 0.926 55.625 54.840 -0.235 0.000 0.752 209 L CB -0.789 41.252 42.059 -0.030 0.000 0.899 209 L HN 0.013 nan 8.230 nan 0.000 0.433 210 V N 0.240 119.982 119.914 -0.286 0.000 2.343 210 V HA -0.306 3.817 4.120 0.005 0.000 0.247 210 V C 2.317 178.008 176.094 -0.672 0.000 1.051 210 V CA 1.873 63.891 62.300 -0.470 0.000 1.036 210 V CB -0.308 31.206 31.823 -0.514 0.000 0.654 210 V HN 0.316 nan 8.190 nan 0.000 0.451 211 I N -0.711 119.544 120.570 -0.525 0.000 2.163 211 I HA -0.225 3.948 4.170 0.005 0.000 0.243 211 I C 2.798 178.737 176.117 -0.296 0.000 1.085 211 I CA 1.383 62.450 61.300 -0.388 0.000 1.347 211 I CB -0.491 37.332 38.000 -0.295 0.000 1.044 211 I HN 0.209 nan 8.210 nan 0.000 0.408 212 R N 0.465 120.693 120.500 -0.452 0.000 2.081 212 R HA -0.090 4.253 4.340 0.005 0.000 0.235 212 R C 2.295 178.504 176.300 -0.151 0.000 1.131 212 R CA 1.062 56.938 56.100 -0.373 0.000 0.960 212 R CB -0.957 28.988 30.300 -0.591 0.000 0.856 212 R HN 0.278 nan 8.270 nan 0.000 0.436 213 V N 0.699 120.553 119.914 -0.100 0.000 2.427 213 V HA -0.190 3.933 4.120 0.005 0.000 0.248 213 V C 1.985 178.222 176.094 0.239 0.000 1.051 213 V CA 1.290 63.639 62.300 0.081 0.000 1.048 213 V CB -0.586 31.287 31.823 0.083 0.000 0.666 213 V HN 0.067 nan 8.190 nan 0.000 0.456 214 F N -0.299 119.627 119.950 -0.040 0.000 2.494 214 F HA 0.006 4.538 4.527 0.009 0.000 0.298 214 F C 1.818 177.604 175.800 -0.023 0.000 1.106 214 F CA 0.680 58.667 58.000 -0.022 0.000 1.452 214 F CB -0.693 38.290 39.000 -0.028 0.000 1.085 214 F HN 0.147 nan 8.300 nan 0.000 0.569 215 L N -0.789 120.521 121.223 0.145 0.000 2.592 215 L HA 0.089 4.432 4.340 0.005 0.000 0.227 215 L C 0.522 177.429 176.870 0.062 0.000 1.127 215 L CA -0.017 54.864 54.840 0.068 0.000 0.884 215 L CB -0.138 41.934 42.059 0.021 0.000 1.065 215 L HN -0.142 nan 8.230 nan 0.000 0.457 216 L N 1.126 122.409 121.223 0.100 0.000 2.410 216 L HA 0.174 4.517 4.340 0.005 0.000 0.273 216 L C 0.081 176.980 176.870 0.049 0.000 1.144 216 L CA 0.501 55.420 54.840 0.132 0.000 0.863 216 L CB 0.642 42.846 42.059 0.242 0.000 1.140 216 L HN 0.126 nan 8.230 nan 0.000 0.463 217 E N 2.216 122.400 120.200 -0.026 0.000 2.321 217 E HA 0.502 4.855 4.350 0.005 0.000 0.278 217 E C -1.217 175.240 176.600 -0.238 0.000 0.902 217 E CA -0.496 55.839 56.400 -0.109 0.000 0.758 217 E CB 2.170 31.825 29.700 -0.075 0.000 1.213 217 E HN 0.641 nan 8.360 nan 0.000 0.426 218 T N 0.133 114.505 114.554 -0.304 0.000 2.812 218 T HA 0.462 4.815 4.350 0.005 0.000 0.294 218 T C -2.327 172.224 174.700 -0.249 0.000 1.159 218 T CA -1.513 60.350 62.100 -0.394 0.000 1.008 218 T CB 1.351 69.781 68.868 -0.730 0.000 1.289 218 T HN 0.168 nan 8.240 nan 0.000 0.514 219 P HA 0.069 nan 4.420 nan 0.000 0.225 219 P C 0.976 178.202 177.300 -0.123 0.000 1.148 219 P CA 0.632 63.649 63.100 -0.138 0.000 0.779 219 P CB 0.022 31.653 31.700 -0.115 0.000 0.780 220 N N -1.070 117.535 118.700 -0.158 0.000 2.373 220 N HA 0.128 4.871 4.740 0.005 0.000 0.181 220 N C 1.124 176.575 175.510 -0.098 0.000 1.082 220 N CA 0.986 53.968 53.050 -0.113 0.000 0.885 220 N CB 0.615 39.035 38.487 -0.112 0.000 0.977 220 N HN 0.157 nan 8.380 nan 0.000 0.462 221 G N -0.540 108.188 108.800 -0.120 0.000 2.356 221 G HA2 0.186 4.149 3.960 0.005 0.000 0.288 221 G HA3 0.186 4.149 3.960 0.005 0.000 0.288 221 G C -1.214 173.632 174.900 -0.090 0.000 1.302 221 G CA -0.255 44.794 45.100 -0.086 0.000 0.887 221 G HN 0.166 nan 8.290 nan 0.000 0.521 222 T N -3.010 111.509 114.554 -0.059 0.000 2.864 222 T HA 0.756 5.109 4.350 0.005 0.000 0.289 222 T C 1.541 176.222 174.700 -0.031 0.000 1.082 222 T CA 0.623 62.694 62.100 -0.050 0.000 1.009 222 T CB 1.525 70.358 68.868 -0.059 0.000 1.234 222 T HN 2.055 nan 8.240 nan 0.000 0.526 223 A N 0.453 123.257 122.820 -0.027 0.000 1.972 223 A HA 0.249 4.572 4.320 0.005 0.000 0.219 223 A C 2.541 180.071 177.584 -0.090 0.000 1.169 223 A CA 1.939 53.964 52.037 -0.021 0.000 0.635 223 A CB -1.537 17.468 19.000 0.008 0.000 0.810 223 A HN 1.337 nan 8.150 nan 0.000 0.446 224 A N 0.360 123.095 122.820 -0.141 0.000 1.940 224 A HA -0.226 4.097 4.320 0.005 0.000 0.219 224 A C 1.709 179.273 177.584 -0.034 0.000 1.176 224 A CA 1.860 53.818 52.037 -0.132 0.000 0.631 224 A CB -0.582 18.345 19.000 -0.122 0.000 0.814 224 A HN 0.495 nan 8.150 nan 0.000 0.446 225 D N -0.361 120.030 120.400 -0.015 0.000 2.178 225 D HA -0.097 4.546 4.640 0.005 0.000 0.201 225 D C 1.985 178.330 176.300 0.075 0.000 0.980 225 D CA 1.381 55.394 54.000 0.022 0.000 0.842 225 D CB -0.573 40.226 40.800 -0.001 0.000 0.948 225 D HN 0.483 nan 8.370 nan 0.000 0.472 226 G N 0.783 109.624 108.800 0.070 0.000 2.394 226 G HA2 -0.143 3.820 3.960 0.005 0.000 0.215 226 G HA3 -0.143 3.820 3.960 0.005 0.000 0.215 226 G C 1.817 176.838 174.900 0.203 0.000 1.165 226 G CA 0.067 45.247 45.100 0.134 0.000 0.784 226 G HN 0.231 nan 8.290 nan 0.000 0.535 227 L N 0.656 121.977 121.223 0.163 0.000 2.046 227 L HA -0.082 4.261 4.340 0.005 0.000 0.208 227 L C 2.677 179.711 176.870 0.273 0.000 1.077 227 L CA 0.858 55.856 54.840 0.264 0.000 0.747 227 L CB -0.442 41.718 42.059 0.168 0.000 0.896 227 L HN 0.132 nan 8.230 nan 0.000 0.432 228 N N 0.049 118.850 118.700 0.170 0.000 2.166 228 N HA -0.217 4.526 4.740 0.005 0.000 0.186 228 N C 1.696 177.284 175.510 0.131 0.000 1.019 228 N CA 1.250 54.385 53.050 0.142 0.000 0.856 228 N CB -0.435 38.107 38.487 0.092 0.000 0.993 228 N HN 0.253 nan 8.380 nan 0.000 0.426 229 F N 1.410 121.366 119.950 0.011 0.000 2.134 229 F HA -0.067 4.461 4.527 0.002 0.000 0.299 229 F C 2.003 177.752 175.800 -0.085 0.000 1.097 229 F CA 0.789 58.767 58.000 -0.037 0.000 1.264 229 F CB -0.375 38.596 39.000 -0.049 0.000 1.001 229 F HN -0.031 nan 8.300 nan 0.000 0.479 230 L N -1.248 119.787 121.223 -0.313 0.000 2.179 230 L HA -0.011 4.332 4.340 0.005 0.000 0.208 230 L C 0.838 177.316 176.870 -0.653 0.000 1.096 230 L CA 1.509 55.984 54.840 -0.609 0.000 0.779 230 L CB -0.644 41.138 42.059 -0.462 0.000 0.922 230 L HN 0.234 nan 8.230 nan 0.000 0.443 231 W N -0.755 120.472 121.300 -0.122 0.000 3.102 231 W HA 0.337 4.998 4.660 0.002 0.000 0.401 231 W C 0.186 176.644 176.519 -0.102 0.000 1.070 231 W CA -0.399 56.894 57.345 -0.086 0.000 1.921 231 W CB 0.154 29.595 29.460 -0.031 0.000 1.118 231 W HN -0.201 nan 8.180 nan 0.000 0.647 232 T N 1.988 116.536 114.554 -0.011 0.000 2.770 232 T HA 0.273 4.626 4.350 0.005 0.000 0.297 232 T C -2.351 172.249 174.700 -0.165 0.000 0.997 232 T CA -1.537 60.536 62.100 -0.046 0.000 0.949 232 T CB 1.225 70.073 68.868 -0.035 0.000 0.941 232 T HN -0.434 nan 8.240 nan 0.000 0.457 233 P HA 0.159 nan 4.420 nan 0.000 0.267 233 P C -0.428 176.557 177.300 -0.525 0.000 1.200 233 P CA -0.109 62.706 63.100 -0.476 0.000 0.772 233 P CB 0.473 31.741 31.700 -0.720 0.000 0.855 234 D N 2.473 122.559 120.400 -0.524 0.000 2.468 234 D HA 0.134 4.777 4.640 0.005 0.000 0.272 234 D C 0.014 176.175 176.300 -0.232 0.000 1.221 234 D CA -0.376 53.442 54.000 -0.304 0.000 0.860 234 D CB -0.061 40.638 40.800 -0.168 0.000 1.190 234 D HN 0.067 nan 8.370 nan 0.000 0.509 235 F N 0.961 120.923 119.950 0.020 0.000 2.667 235 F HA 0.006 4.535 4.527 0.003 0.000 0.295 235 F C 1.837 177.666 175.800 0.047 0.000 1.185 235 F CA 0.618 58.640 58.000 0.037 0.000 1.479 235 F CB -0.101 38.924 39.000 0.042 0.000 1.116 235 F HN 0.290 nan 8.300 nan 0.000 0.606 236 E N -0.478 119.812 120.200 0.151 0.000 2.476 236 E HA 0.020 4.373 4.350 0.005 0.000 0.196 236 E C 1.510 178.167 176.600 0.095 0.000 1.029 236 E CA 0.064 56.537 56.400 0.122 0.000 0.896 236 E CB 0.187 29.942 29.700 0.091 0.000 1.012 236 E HN 0.334 nan 8.360 nan 0.000 0.475 237 K N 0.353 120.802 120.400 0.082 0.000 2.412 237 K HA 0.104 4.427 4.320 0.005 0.000 0.202 237 K C 1.334 178.005 176.600 0.119 0.000 1.102 237 K CA -0.067 56.262 56.287 0.071 0.000 1.027 237 K CB 0.454 32.962 32.500 0.012 0.000 0.931 237 K HN -0.066 nan 8.250 nan 0.000 0.557 238 L N 1.235 122.556 121.223 0.163 0.000 2.349 238 L HA -0.117 4.226 4.340 0.005 0.000 0.220 238 L C 0.915 178.073 176.870 0.479 0.000 1.130 238 L CA 1.731 56.752 54.840 0.302 0.000 0.791 238 L CB -0.251 42.003 42.059 0.325 0.000 0.918 238 L HN -0.011 nan 8.230 nan 0.000 0.444 239 K N -0.930 119.647 120.400 0.295 0.000 2.410 239 K HA 0.099 4.422 4.320 0.005 0.000 0.200 239 K C -0.000 176.734 176.600 0.224 0.000 1.023 239 K CA -0.042 56.388 56.287 0.238 0.000 1.149 239 K CB 0.062 32.650 32.500 0.146 0.000 0.859 239 K HN 0.024 nan 8.250 nan 0.000 0.514 240 D N -0.054 120.514 120.400 0.279 0.000 2.280 240 D HA 0.150 4.793 4.640 0.005 0.000 0.236 240 D C -2.039 174.461 176.300 0.333 0.000 1.082 240 D CA -2.419 51.717 54.000 0.226 0.000 0.834 240 D CB 1.853 42.742 40.800 0.148 0.000 1.100 240 D HN -0.166 nan 8.370 nan 0.000 0.486 241 P HA -0.033 nan 4.420 nan 0.000 0.216 241 P C 1.330 178.731 177.300 0.168 0.000 1.150 241 P CA 1.022 64.255 63.100 0.222 0.000 0.837 241 P CB 0.262 32.055 31.700 0.154 0.000 0.786 242 G N -0.179 108.697 108.800 0.127 0.000 2.469 242 G HA2 -0.261 3.702 3.960 0.005 0.000 0.219 242 G HA3 -0.261 3.702 3.960 0.005 0.000 0.219 242 G C 1.597 176.476 174.900 -0.035 0.000 1.150 242 G CA 0.947 46.026 45.100 -0.035 0.000 0.763 242 G HN 0.168 nan 8.290 nan 0.000 0.561 243 V N -0.677 119.263 119.914 0.044 0.000 2.427 243 V HA -0.134 3.989 4.120 0.005 0.000 0.248 243 V C 2.418 178.482 176.094 -0.049 0.000 1.051 243 V CA 1.629 63.935 62.300 0.010 0.000 1.048 243 V CB -0.626 31.164 31.823 -0.054 0.000 0.666 243 V HN 0.562 nan 8.190 nan 0.000 0.456 244 W N -0.158 121.133 121.300 -0.015 0.000 2.381 244 W HA -0.050 4.613 4.660 0.005 0.000 0.301 244 W C 2.329 178.795 176.519 -0.088 0.000 1.205 244 W CA 1.007 58.339 57.345 -0.023 0.000 1.285 244 W CB -0.394 29.048 29.460 -0.031 0.000 1.133 244 W HN 0.142 nan 8.180 nan 0.000 0.521 245 I N -0.096 120.466 120.570 -0.013 0.000 2.226 245 I HA -0.307 3.866 4.170 0.005 0.000 0.245 245 I C 2.534 178.524 176.117 -0.213 0.000 1.100 245 I CA 1.367 62.463 61.300 -0.340 0.000 1.374 245 I CB -0.894 36.645 38.000 -0.769 0.000 1.057 245 I HN -0.035 nan 8.210 nan 0.000 0.413 246 A N 0.752 123.533 122.820 -0.067 0.000 1.873 246 A HA -0.137 4.186 4.320 0.005 0.000 0.215 246 A C 2.557 180.343 177.584 0.337 0.000 1.186 246 A CA 1.768 53.876 52.037 0.118 0.000 0.616 246 A CB -0.830 18.265 19.000 0.158 0.000 0.823 246 A HN 0.415 nan 8.150 nan 0.000 0.442 247 A N -0.515 122.457 122.820 0.254 0.000 1.877 247 A HA -0.038 4.285 4.320 0.005 0.000 0.216 247 A C 2.237 179.954 177.584 0.222 0.000 1.186 247 A CA 1.947 54.024 52.037 0.067 0.000 0.620 247 A CB -1.035 17.755 19.000 -0.349 0.000 0.822 247 A HN 0.424 nan 8.150 nan 0.000 0.443 248 V N -0.056 120.013 119.914 0.258 0.000 2.358 248 V HA -0.157 3.966 4.120 0.005 0.000 0.246 248 V C 2.808 179.204 176.094 0.503 0.000 1.047 248 V CA 1.868 64.406 62.300 0.397 0.000 1.035 248 V CB -1.484 30.601 31.823 0.436 0.000 0.658 248 V HN 0.624 nan 8.190 nan 0.000 0.452 249 G N -0.687 108.347 108.800 0.390 0.000 2.418 249 G HA2 -0.358 3.605 3.960 0.005 0.000 0.217 249 G HA3 -0.358 3.605 3.960 0.005 0.000 0.217 249 G C 1.528 176.740 174.900 0.520 0.000 1.158 249 G CA 1.128 46.500 45.100 0.453 0.000 0.771 249 G HN 0.505 nan 8.290 nan 0.000 0.545 250 Q N 0.215 120.305 119.800 0.483 0.000 2.084 250 Q HA -0.040 4.303 4.340 0.005 0.000 0.202 250 Q C 2.433 178.763 176.000 0.549 0.000 0.978 250 Q CA 0.985 57.114 55.803 0.544 0.000 0.844 250 Q CB -0.338 28.804 28.738 0.673 0.000 0.898 250 Q HN 0.381 nan 8.270 nan 0.000 0.426 251 I N -0.017 120.807 120.570 0.424 0.000 2.208 251 I HA -0.239 3.934 4.170 0.005 0.000 0.245 251 I C 1.925 178.204 176.117 0.269 0.000 1.097 251 I CA 1.325 62.764 61.300 0.230 0.000 1.363 251 I CB -1.114 36.912 38.000 0.043 0.000 1.051 251 I HN 0.214 nan 8.210 nan 0.000 0.413 252 F N 0.286 120.417 119.950 0.302 0.000 2.075 252 F HA -0.270 4.260 4.527 0.005 0.000 0.297 252 F C 2.537 178.612 175.800 0.459 0.000 1.113 252 F CA 1.835 60.028 58.000 0.322 0.000 1.218 252 F CB -0.837 38.340 39.000 0.294 0.000 0.984 252 F HN -0.075 nan 8.300 nan 0.000 0.472 253 F N 0.104 120.420 119.950 0.609 0.000 2.095 253 F HA -0.262 4.269 4.527 0.005 0.000 0.298 253 F C 2.738 178.713 175.800 0.292 0.000 1.104 253 F CA 2.153 60.485 58.000 0.553 0.000 1.232 253 F CB -0.844 38.432 39.000 0.459 0.000 0.987 253 F HN -0.115 nan 8.300 nan 0.000 0.475 254 T N -0.036 114.818 114.554 0.500 0.000 2.867 254 T HA -0.085 4.268 4.350 0.005 0.000 0.268 254 T C 1.745 176.507 174.700 0.102 0.000 1.057 254 T CA 1.259 63.532 62.100 0.289 0.000 1.136 254 T CB -0.327 68.717 68.868 0.292 0.000 0.874 254 T HN 0.235 nan 8.240 nan 0.000 0.466 255 L N 0.593 121.885 121.223 0.114 0.000 2.592 255 L HA 0.260 4.603 4.340 0.005 0.000 0.227 255 L C 0.989 177.859 176.870 0.001 0.000 1.127 255 L CA -0.001 54.866 54.840 0.045 0.000 0.884 255 L CB 0.011 42.096 42.059 0.044 0.000 1.065 255 L HN 0.138 nan 8.230 nan 0.000 0.457 256 S N 0.409 116.082 115.700 -0.046 0.000 3.635 256 S HA -0.149 4.324 4.470 0.005 0.000 0.328 256 S C 0.235 174.991 174.600 0.261 0.000 1.135 256 S CA 0.372 58.474 58.200 -0.163 0.000 0.942 256 S CB -1.832 61.178 63.200 -0.317 0.000 0.930 256 S HN 0.287 nan 8.310 nan 0.000 0.512 257 L N 0.465 121.926 121.223 0.397 0.000 2.312 257 L HA 0.593 4.936 4.340 0.005 0.000 0.281 257 L C 1.484 178.695 176.870 0.569 0.000 1.070 257 L CA 0.365 55.417 54.840 0.354 0.000 0.805 257 L CB 0.925 43.004 42.059 0.032 0.000 1.174 257 L HN 0.442 nan 8.230 nan 0.000 0.434 258 G N 2.007 111.077 108.800 0.449 0.000 2.159 258 G HA2 -0.308 3.655 3.960 0.005 0.000 0.256 258 G HA3 -0.308 3.655 3.960 0.005 0.000 0.256 258 G C 0.266 175.294 174.900 0.213 0.000 0.977 258 G CA 0.106 45.462 45.100 0.426 0.000 0.652 258 G HN 0.577 nan 8.290 nan 0.000 0.531 259 F N 0.431 120.513 119.950 0.219 0.000 2.678 259 F HA 0.420 4.950 4.527 0.005 0.000 0.305 259 F C 2.111 177.930 175.800 0.031 0.000 1.090 259 F CA 0.666 58.697 58.000 0.051 0.000 1.272 259 F CB 0.791 39.746 39.000 -0.074 0.000 1.060 259 F HN 0.611 nan 8.300 nan 0.000 0.576 260 G N 0.693 109.681 108.800 0.314 0.000 2.196 260 G HA2 -0.393 3.570 3.960 0.005 0.000 0.268 260 G HA3 -0.393 3.570 3.960 0.005 0.000 0.268 260 G C 1.321 176.282 174.900 0.102 0.000 0.975 260 G CA 0.594 45.826 45.100 0.221 0.000 0.648 260 G HN 0.527 nan 8.290 nan 0.000 0.538 261 A N -0.028 122.828 122.820 0.059 0.000 1.930 261 A HA 0.395 4.718 4.320 0.005 0.000 0.215 261 A C 2.316 179.792 177.584 -0.179 0.000 1.176 261 A CA 1.678 53.653 52.037 -0.104 0.000 0.632 261 A CB -0.207 18.644 19.000 -0.248 0.000 0.819 261 A HN 0.442 nan 8.150 nan 0.000 0.445 262 I N 0.295 120.784 120.570 -0.134 0.000 2.252 262 I HA -0.200 3.973 4.170 0.005 0.000 0.245 262 I C 2.384 178.404 176.117 -0.162 0.000 1.102 262 I CA 1.198 62.377 61.300 -0.201 0.000 1.385 262 I CB -1.082 36.848 38.000 -0.116 0.000 1.064 262 I HN 0.301 nan 8.210 nan 0.000 0.414 263 I N 0.514 121.055 120.570 -0.047 0.000 2.163 263 I HA -0.309 3.864 4.170 0.005 0.000 0.243 263 I C 2.464 178.575 176.117 -0.010 0.000 1.085 263 I CA 1.582 62.869 61.300 -0.022 0.000 1.347 263 I CB -0.562 37.460 38.000 0.036 0.000 1.044 263 I HN 0.202 nan 8.210 nan 0.000 0.408 264 T N -0.286 114.293 114.554 0.043 0.000 2.777 264 T HA -0.182 4.171 4.350 0.005 0.000 0.266 264 T C 1.823 176.648 174.700 0.209 0.000 1.040 264 T CA 1.279 63.429 62.100 0.083 0.000 1.141 264 T CB -0.327 68.638 68.868 0.161 0.000 0.868 264 T HN 0.172 nan 8.240 nan 0.000 0.444 265 Y N 1.569 121.921 120.300 0.087 0.000 2.181 265 Y HA 0.034 4.587 4.550 0.005 0.000 0.288 265 Y C 2.683 178.740 175.900 0.260 0.000 1.146 265 Y CA 0.159 58.447 58.100 0.314 0.000 1.164 265 Y CB -1.057 37.480 38.460 0.128 0.000 0.982 265 Y HN 0.208 nan 8.280 nan 0.000 0.515 266 A N -0.708 122.139 122.820 0.045 0.000 2.121 266 A HA -0.123 4.200 4.320 0.005 0.000 0.218 266 A C 2.313 179.919 177.584 0.036 0.000 1.154 266 A CA 1.483 53.475 52.037 -0.075 0.000 0.679 266 A CB -0.936 17.917 19.000 -0.246 0.000 0.795 266 A HN 0.452 nan 8.150 nan 0.000 0.458 267 S N -1.757 113.878 115.700 -0.108 0.000 2.555 267 S HA -0.049 4.424 4.470 0.005 0.000 0.230 267 S C 1.100 175.453 174.600 -0.412 0.000 0.978 267 S CA 0.677 58.710 58.200 -0.277 0.000 0.934 267 S CB -0.632 62.309 63.200 -0.432 0.000 0.766 267 S HN 0.564 nan 8.310 nan 0.000 0.533 268 Y N 0.974 121.311 120.300 0.062 0.000 2.458 268 Y HA 0.467 5.020 4.550 0.005 0.000 0.256 268 Y C 0.598 176.642 175.900 0.240 0.000 1.159 268 Y CA -0.919 57.126 58.100 -0.091 0.000 1.261 268 Y CB 0.064 38.142 38.460 -0.636 0.000 1.119 268 Y HN 0.089 nan 8.280 nan 0.000 0.524 269 V N 2.194 122.384 119.914 0.459 0.000 2.530 269 V HA 0.149 4.272 4.120 0.005 0.000 0.282 269 V C 0.605 176.874 176.094 0.292 0.000 1.048 269 V CA -1.046 61.531 62.300 0.461 0.000 0.997 269 V CB 0.706 32.755 31.823 0.377 0.000 0.987 269 V HN 0.214 nan 8.190 nan 0.000 0.477 270 R N 3.007 123.597 120.500 0.150 0.000 2.698 270 R HA 0.012 4.355 4.340 0.005 0.000 0.266 270 R C 1.562 177.884 176.300 0.037 0.000 1.026 270 R CA -0.085 55.971 56.100 -0.073 0.000 1.102 270 R CB 0.429 30.607 30.300 -0.204 0.000 0.978 270 R HN 0.651 nan 8.270 nan 0.000 0.436 271 K N 2.041 122.454 120.400 0.022 0.000 2.160 271 K HA -0.229 4.094 4.320 0.005 0.000 0.206 271 K C 1.151 177.784 176.600 0.054 0.000 1.047 271 K CA 2.207 58.526 56.287 0.053 0.000 0.930 271 K CB 0.051 32.573 32.500 0.036 0.000 0.720 271 K HN 0.691 nan 8.250 nan 0.000 0.450 272 D N -0.176 120.240 120.400 0.027 0.000 2.249 272 D HA -0.144 4.499 4.640 0.005 0.000 0.205 272 D C 0.355 176.677 176.300 0.037 0.000 0.962 272 D CA 0.262 54.278 54.000 0.026 0.000 0.860 272 D CB -0.273 40.531 40.800 0.007 0.000 0.955 272 D HN 0.246 nan 8.370 nan 0.000 0.505 273 Q N 1.675 121.507 119.800 0.052 0.000 2.304 273 Q HA -0.040 4.303 4.340 0.005 0.000 0.301 273 Q C 0.210 176.259 176.000 0.082 0.000 1.063 273 Q CA 0.117 55.964 55.803 0.073 0.000 0.947 273 Q CB 0.711 29.518 28.738 0.115 0.000 1.201 273 Q HN 0.286 nan 8.270 nan 0.000 0.389 274 D N 3.067 123.497 120.400 0.050 0.000 2.443 274 D HA -0.031 4.612 4.640 0.005 0.000 0.239 274 D C 0.469 176.789 176.300 0.033 0.000 1.136 274 D CA 0.259 54.267 54.000 0.013 0.000 0.879 274 D CB 0.623 41.409 40.800 -0.024 0.000 1.195 274 D HN 0.666 nan 8.370 nan 0.000 0.443 275 I N 0.188 120.746 120.570 -0.019 0.000 4.526 275 I HA 0.022 4.195 4.170 0.005 0.000 0.330 275 I C 1.277 177.237 176.117 -0.261 0.000 1.323 275 I CA -0.482 60.770 61.300 -0.080 0.000 1.218 275 I CB 0.297 38.427 38.000 0.217 0.000 1.233 275 I HN 0.155 nan 8.210 nan 0.000 0.430 276 V N 1.685 121.479 119.914 -0.200 0.000 2.270 276 V HA -0.204 3.919 4.120 0.005 0.000 0.245 276 V C 2.470 178.566 176.094 0.004 0.000 1.043 276 V CA 2.135 64.301 62.300 -0.224 0.000 1.014 276 V CB -0.423 31.164 31.823 -0.395 0.000 0.645 276 V HN 0.460 nan 8.190 nan 0.000 0.447 277 L N -0.085 121.086 121.223 -0.088 0.000 2.109 277 L HA -0.047 4.296 4.340 0.005 0.000 0.207 277 L C 2.487 179.268 176.870 -0.149 0.000 1.086 277 L CA 1.887 56.690 54.840 -0.061 0.000 0.760 277 L CB -0.604 41.421 42.059 -0.056 0.000 0.910 277 L HN 0.259 nan 8.230 nan 0.000 0.437 278 S N -0.167 115.375 115.700 -0.263 0.000 2.356 278 S HA -0.116 4.357 4.470 0.005 0.000 0.223 278 S C 1.897 176.080 174.600 -0.696 0.000 1.032 278 S CA 1.178 59.148 58.200 -0.384 0.000 1.005 278 S CB -1.025 61.961 63.200 -0.357 0.000 0.867 278 S HN 0.674 nan 8.310 nan 0.000 0.449 279 G N 1.572 109.657 108.800 -1.191 0.000 2.418 279 G HA2 -0.150 3.813 3.960 0.005 0.000 0.217 279 G HA3 -0.150 3.813 3.960 0.005 0.000 0.217 279 G C 1.394 175.954 174.900 -0.566 0.000 1.158 279 G CA 0.823 45.137 45.100 -1.311 0.000 0.771 279 G HN 0.411 nan 8.290 nan 0.000 0.545 280 L N 1.009 122.012 121.223 -0.366 0.000 2.083 280 L HA 0.015 4.358 4.340 0.005 0.000 0.209 280 L C 2.833 179.611 176.870 -0.153 0.000 1.083 280 L CA 2.465 57.137 54.840 -0.281 0.000 0.752 280 L CB -0.892 41.147 42.059 -0.034 0.000 0.899 280 L HN 0.171 nan 8.230 nan 0.000 0.433 281 T N -0.227 114.252 114.554 -0.126 0.000 2.777 281 T HA -0.103 4.250 4.350 0.005 0.000 0.266 281 T C 1.922 176.592 174.700 -0.050 0.000 1.040 281 T CA 1.252 63.309 62.100 -0.072 0.000 1.141 281 T CB -0.489 68.339 68.868 -0.066 0.000 0.868 281 T HN 0.517 nan 8.240 nan 0.000 0.444 282 A N 1.517 124.314 122.820 -0.038 0.000 1.902 282 A HA 0.114 4.437 4.320 0.005 0.000 0.217 282 A C 2.633 180.227 177.584 0.018 0.000 1.181 282 A CA 1.909 53.968 52.037 0.037 0.000 0.623 282 A CB -1.118 17.998 19.000 0.194 0.000 0.818 282 A HN 0.505 nan 8.150 nan 0.000 0.443 283 A N -0.279 122.535 122.820 -0.012 0.000 1.877 283 A HA -0.105 4.218 4.320 0.005 0.000 0.216 283 A C 2.469 180.091 177.584 0.062 0.000 1.186 283 A CA 2.614 54.672 52.037 0.035 0.000 0.620 283 A CB -1.438 17.543 19.000 -0.031 0.000 0.822 283 A HN 0.785 nan 8.150 nan 0.000 0.443 284 T N -1.563 113.014 114.554 0.040 0.000 2.821 284 T HA -0.033 4.320 4.350 0.005 0.000 0.267 284 T C 1.842 176.515 174.700 -0.045 0.000 1.046 284 T CA 1.337 63.443 62.100 0.009 0.000 1.139 284 T CB -0.548 68.333 68.868 0.021 0.000 0.871 284 T HN 0.273 nan 8.240 nan 0.000 0.454 285 L N 1.347 122.548 121.223 -0.037 0.000 2.046 285 L HA -0.058 4.285 4.340 0.005 0.000 0.208 285 L C 2.911 179.753 176.870 -0.046 0.000 1.077 285 L CA 1.777 56.590 54.840 -0.045 0.000 0.747 285 L CB -0.744 41.290 42.059 -0.041 0.000 0.896 285 L HN 0.361 nan 8.230 nan 0.000 0.432 286 N N -0.193 118.479 118.700 -0.045 0.000 2.084 286 N HA -0.215 4.528 4.740 0.005 0.000 0.190 286 N C 1.805 177.242 175.510 -0.122 0.000 1.030 286 N CA 1.226 54.239 53.050 -0.062 0.000 0.849 286 N CB 0.104 38.569 38.487 -0.037 0.000 1.012 286 N HN 0.137 nan 8.380 nan 0.000 0.423 287 E N 0.615 120.708 120.200 -0.178 0.000 2.110 287 E HA -0.145 4.208 4.350 0.005 0.000 0.193 287 E C 1.780 178.269 176.600 -0.185 0.000 0.988 287 E CA 0.919 57.155 56.400 -0.272 0.000 0.804 287 E CB -0.146 29.225 29.700 -0.548 0.000 0.745 287 E HN 0.531 nan 8.360 nan 0.000 0.458 288 K N 0.565 120.895 120.400 -0.116 0.000 2.057 288 K HA -0.018 4.305 4.320 0.005 0.000 0.206 288 K C 2.172 178.753 176.600 -0.033 0.000 1.050 288 K CA 1.130 57.387 56.287 -0.050 0.000 0.935 288 K CB -0.135 32.354 32.500 -0.018 0.000 0.715 288 K HN 0.042 nan 8.250 nan 0.000 0.439 289 A N 1.399 124.193 122.820 -0.043 0.000 1.972 289 A HA -0.228 4.095 4.320 0.005 0.000 0.219 289 A C 2.053 179.502 177.584 -0.225 0.000 1.169 289 A CA 1.752 53.766 52.037 -0.037 0.000 0.635 289 A CB -0.342 18.653 19.000 -0.008 0.000 0.810 289 A HN 0.410 nan 8.150 nan 0.000 0.446 290 E N -0.117 119.905 120.200 -0.296 0.000 2.014 290 E HA -0.108 4.245 4.350 0.005 0.000 0.190 290 E C 1.967 178.218 176.600 -0.581 0.000 0.980 290 E CA 1.746 57.848 56.400 -0.496 0.000 0.807 290 E CB -0.190 29.209 29.700 -0.502 0.000 0.770 290 E HN 0.451 nan 8.360 nan 0.000 0.451 291 V N -0.833 118.812 119.914 -0.448 0.000 2.591 291 V HA -0.040 4.083 4.120 0.005 0.000 0.249 291 V C 2.120 178.323 176.094 0.182 0.000 1.053 291 V CA 1.288 63.464 62.300 -0.207 0.000 1.068 291 V CB -0.452 31.403 31.823 0.053 0.000 0.689 291 V HN 0.284 nan 8.190 nan 0.000 0.462 292 I N -0.523 120.115 120.570 0.113 0.000 2.494 292 I HA 0.026 4.199 4.170 0.005 0.000 0.250 292 I C 2.418 178.629 176.117 0.156 0.000 1.112 292 I CA 1.109 62.507 61.300 0.163 0.000 1.438 292 I CB -0.068 37.992 38.000 0.100 0.000 1.111 292 I HN 0.240 nan 8.210 nan 0.000 0.431 293 L N 0.106 121.402 121.223 0.120 0.000 2.121 293 L HA 0.144 4.487 4.340 0.005 0.000 0.200 293 L C 2.676 179.701 176.870 0.260 0.000 1.077 293 L CA 1.236 56.195 54.840 0.197 0.000 0.766 293 L CB -1.184 41.052 42.059 0.295 0.000 0.931 293 L HN 0.212 nan 8.230 nan 0.000 0.452 294 G N -0.080 108.763 108.800 0.072 0.000 2.422 294 G HA2 -0.176 3.787 3.960 0.005 0.000 0.218 294 G HA3 -0.176 3.787 3.960 0.005 0.000 0.218 294 G C 1.533 176.590 174.900 0.261 0.000 1.146 294 G CA 0.767 45.934 45.100 0.112 0.000 0.769 294 G HN 0.485 nan 8.290 nan 0.000 0.547 295 G N 0.014 108.962 108.800 0.248 0.000 2.484 295 G HA2 0.039 4.002 3.960 0.005 0.000 0.218 295 G HA3 0.039 4.002 3.960 0.005 0.000 0.218 295 G C 1.714 176.796 174.900 0.303 0.000 1.130 295 G CA 1.075 46.393 45.100 0.365 0.000 0.784 295 G HN 0.402 nan 8.290 nan 0.000 0.543 296 S N -0.190 115.686 115.700 0.293 0.000 2.575 296 S HA 0.311 4.784 4.470 0.005 0.000 0.215 296 S C 1.651 176.385 174.600 0.223 0.000 0.966 296 S CA -0.260 58.135 58.200 0.323 0.000 0.911 296 S CB 0.177 63.572 63.200 0.324 0.000 0.780 296 S HN 0.352 nan 8.310 nan 0.000 0.514 297 I N 0.989 121.652 120.570 0.154 0.000 3.325 297 I HA -0.035 4.138 4.170 0.005 0.000 0.237 297 I C 2.551 178.613 176.117 -0.091 0.000 1.068 297 I CA 0.767 62.083 61.300 0.026 0.000 1.511 297 I CB -0.490 37.523 38.000 0.022 0.000 1.409 297 I HN 0.294 nan 8.210 nan 0.000 0.464 298 S N 1.411 117.032 115.700 -0.131 0.000 2.368 298 S HA -0.073 4.400 4.470 0.005 0.000 0.224 298 S C 2.034 176.571 174.600 -0.104 0.000 1.029 298 S CA 0.886 58.956 58.200 -0.217 0.000 0.988 298 S CB -0.820 62.273 63.200 -0.180 0.000 0.838 298 S HN 0.326 nan 8.310 nan 0.000 0.462 299 I N 2.564 123.127 120.570 -0.012 0.000 2.163 299 I HA -0.049 4.124 4.170 0.005 0.000 0.240 299 I C -0.739 175.397 176.117 0.032 0.000 1.081 299 I CA 0.985 62.294 61.300 0.015 0.000 1.353 299 I CB -1.190 36.854 38.000 0.074 0.000 1.054 299 I HN 0.254 nan 8.210 nan 0.000 0.407 300 P HA -0.170 nan 4.420 nan 0.000 0.216 300 P C 1.441 178.772 177.300 0.053 0.000 1.150 300 P CA 1.795 64.951 63.100 0.095 0.000 0.837 300 P CB -0.014 31.798 31.700 0.185 0.000 0.786 301 A N -0.015 122.807 122.820 0.002 0.000 1.877 301 A HA -0.115 4.208 4.320 0.005 0.000 0.216 301 A C 2.325 179.869 177.584 -0.067 0.000 1.186 301 A CA 2.153 54.154 52.037 -0.061 0.000 0.620 301 A CB -1.633 17.227 19.000 -0.234 0.000 0.822 301 A HN 0.187 nan 8.150 nan 0.000 0.443 302 A N -0.661 122.119 122.820 -0.067 0.000 1.902 302 A HA 0.020 4.343 4.320 0.005 0.000 0.217 302 A C 2.223 179.858 177.584 0.085 0.000 1.181 302 A CA 1.775 53.834 52.037 0.038 0.000 0.623 302 A CB -0.889 18.126 19.000 0.025 0.000 0.818 302 A HN 0.391 nan 8.150 nan 0.000 0.443 303 V N -0.151 119.772 119.914 0.015 0.000 2.358 303 V HA -0.212 3.911 4.120 0.005 0.000 0.246 303 V C 3.039 179.134 176.094 0.002 0.000 1.047 303 V CA 1.777 64.069 62.300 -0.013 0.000 1.035 303 V CB -1.205 30.586 31.823 -0.053 0.000 0.658 303 V HN 0.608 nan 8.190 nan 0.000 0.452 304 A N -0.537 122.298 122.820 0.026 0.000 1.908 304 A HA -0.197 4.126 4.320 0.005 0.000 0.218 304 A C 2.020 179.570 177.584 -0.056 0.000 1.181 304 A CA 1.943 53.988 52.037 0.014 0.000 0.627 304 A CB -0.635 18.419 19.000 0.090 0.000 0.818 304 A HN 0.472 nan 8.150 nan 0.000 0.445 305 F N -2.367 117.400 119.950 -0.305 0.000 2.335 305 F HA 0.158 4.689 4.527 0.006 0.000 0.296 305 F C 1.359 176.753 175.800 -0.675 0.000 1.091 305 F CA 0.854 58.514 58.000 -0.567 0.000 1.399 305 F CB 0.014 38.486 39.000 -0.880 0.000 1.067 305 F HN 0.219 nan 8.300 nan 0.000 0.520 306 F N -0.772 119.229 119.950 0.085 0.000 2.728 306 F HA 0.504 5.033 4.527 0.004 0.000 0.314 306 F C 1.094 176.869 175.800 -0.042 0.000 1.094 306 F CA 0.079 58.084 58.000 0.009 0.000 1.217 306 F CB -0.162 38.836 39.000 -0.004 0.000 1.056 306 F HN -0.078 nan 8.300 nan 0.000 0.577 307 G N 0.431 109.277 108.800 0.076 0.000 2.730 307 G HA2 -0.144 3.819 3.960 0.005 0.000 0.686 307 G HA3 -0.144 3.819 3.960 0.005 0.000 0.686 307 G C 0.455 175.320 174.900 -0.058 0.000 1.343 307 G CA -0.599 44.500 45.100 -0.002 0.000 0.826 307 G HN -0.059 nan 8.290 nan 0.000 0.582 308 V N 1.294 121.125 119.914 -0.138 0.000 2.261 308 V HA -0.079 4.044 4.120 0.005 0.000 0.246 308 V C 3.450 179.375 176.094 -0.281 0.000 1.047 308 V CA 3.477 65.592 62.300 -0.308 0.000 1.015 308 V CB -1.432 30.187 31.823 -0.341 0.000 0.642 308 V HN 1.878 nan 8.190 nan 0.000 0.446 309 A N 0.452 123.175 122.820 -0.162 0.000 1.892 309 A HA -0.273 4.050 4.320 0.005 0.000 0.218 309 A C 2.095 179.611 177.584 -0.113 0.000 1.188 309 A CA 2.298 54.262 52.037 -0.122 0.000 0.631 309 A CB -0.721 18.238 19.000 -0.069 0.000 0.822 309 A HN 0.607 nan 8.150 nan 0.000 0.447 310 N N 0.047 118.698 118.700 -0.082 0.000 2.216 310 N HA -0.050 4.693 4.740 0.005 0.000 0.183 310 N C 1.938 177.378 175.510 -0.117 0.000 1.017 310 N CA 1.371 54.369 53.050 -0.086 0.000 0.861 310 N CB -0.513 37.955 38.487 -0.033 0.000 0.986 310 N HN 0.473 nan 8.380 nan 0.000 0.428 311 A N 0.926 123.689 122.820 -0.095 0.000 1.877 311 A HA -0.088 4.235 4.320 0.005 0.000 0.216 311 A C 2.517 180.003 177.584 -0.163 0.000 1.186 311 A CA 1.319 53.291 52.037 -0.108 0.000 0.620 311 A CB -0.817 18.100 19.000 -0.139 0.000 0.822 311 A HN 0.093 nan 8.150 nan 0.000 0.443 312 V N -0.144 119.639 119.914 -0.218 0.000 2.343 312 V HA -0.249 3.874 4.120 0.005 0.000 0.247 312 V C 3.035 179.056 176.094 -0.122 0.000 1.051 312 V CA 1.939 64.131 62.300 -0.180 0.000 1.036 312 V CB -1.199 30.513 31.823 -0.186 0.000 0.654 312 V HN 0.620 nan 8.190 nan 0.000 0.451 313 A N -0.282 122.469 122.820 -0.116 0.000 1.972 313 A HA -0.146 4.177 4.320 0.005 0.000 0.219 313 A C 2.173 179.699 177.584 -0.097 0.000 1.169 313 A CA 1.683 53.663 52.037 -0.095 0.000 0.635 313 A CB -0.505 18.440 19.000 -0.092 0.000 0.810 313 A HN 0.521 nan 8.150 nan 0.000 0.446 314 I N -0.345 120.154 120.570 -0.119 0.000 2.179 314 I HA -0.281 3.892 4.170 0.005 0.000 0.242 314 I C 2.984 179.058 176.117 -0.072 0.000 1.088 314 I CA 1.102 62.335 61.300 -0.111 0.000 1.357 314 I CB -0.354 37.561 38.000 -0.142 0.000 1.051 314 I HN 0.360 nan 8.210 nan 0.000 0.409 315 A N 0.790 123.561 122.820 -0.081 0.000 1.902 315 A HA -0.212 4.111 4.320 0.005 0.000 0.217 315 A C 2.296 179.833 177.584 -0.078 0.000 1.181 315 A CA 1.589 53.580 52.037 -0.077 0.000 0.623 315 A CB -0.432 18.506 19.000 -0.104 0.000 0.818 315 A HN 0.324 nan 8.150 nan 0.000 0.443 316 K N -0.343 120.010 120.400 -0.078 0.000 2.148 316 K HA 0.017 4.340 4.320 0.005 0.000 0.204 316 K C 2.160 178.730 176.600 -0.050 0.000 1.050 316 K CA 0.917 57.161 56.287 -0.070 0.000 0.942 316 K CB -0.245 32.216 32.500 -0.064 0.000 0.724 316 K HN 0.444 nan 8.250 nan 0.000 0.446 317 A N 1.209 124.005 122.820 -0.039 0.000 2.014 317 A HA 0.047 4.370 4.320 0.005 0.000 0.218 317 A C 1.014 178.603 177.584 0.009 0.000 1.163 317 A CA 1.291 53.319 52.037 -0.016 0.000 0.652 317 A CB 0.040 19.030 19.000 -0.017 0.000 0.808 317 A HN 0.327 nan 8.150 nan 0.000 0.449 318 G N -2.845 105.961 108.800 0.010 0.000 2.505 318 G HA2 0.517 4.480 3.960 0.005 0.000 0.292 318 G HA3 0.517 4.480 3.960 0.005 0.000 0.292 318 G C 0.406 175.312 174.900 0.011 0.000 1.332 318 G CA 0.199 45.324 45.100 0.043 0.000 1.286 318 G HN 0.663 nan 8.290 nan 0.000 0.606 319 A N 1.702 124.466 122.820 -0.094 0.000 2.024 319 A HA 0.089 4.412 4.320 0.005 0.000 0.220 319 A C 1.528 179.014 177.584 -0.163 0.000 1.164 319 A CA 1.499 53.405 52.037 -0.219 0.000 0.643 319 A CB -0.334 18.412 19.000 -0.424 0.000 0.806 319 A HN 0.656 nan 8.150 nan 0.000 0.451 320 F N -0.078 119.976 119.950 0.173 0.000 2.765 320 F HA 0.110 4.640 4.527 0.005 0.000 0.302 320 F C 1.772 177.767 175.800 0.324 0.000 1.111 320 F CA -0.145 58.041 58.000 0.310 0.000 1.359 320 F CB -0.300 38.878 39.000 0.297 0.000 1.097 320 F HN 0.143 nan 8.300 nan 0.000 0.577 321 N N 0.523 119.427 118.700 0.340 0.000 2.069 321 N HA -0.172 4.571 4.740 0.005 0.000 0.191 321 N C 2.023 177.652 175.510 0.198 0.000 1.031 321 N CA 1.033 54.234 53.050 0.252 0.000 0.852 321 N CB -0.663 37.901 38.487 0.128 0.000 1.018 321 N HN 0.186 nan 8.380 nan 0.000 0.423 322 L N 0.628 121.932 121.223 0.135 0.000 1.989 322 L HA -0.032 4.311 4.340 0.005 0.000 0.211 322 L C 2.031 178.933 176.870 0.053 0.000 1.071 322 L CA 1.948 56.819 54.840 0.052 0.000 0.749 322 L CB -1.144 40.926 42.059 0.019 0.000 0.890 322 L HN 0.230 nan 8.230 nan 0.000 0.431 323 G N -2.740 106.174 108.800 0.190 0.000 2.494 323 G HA2 -0.161 3.802 3.960 0.005 0.000 0.216 323 G HA3 -0.161 3.802 3.960 0.005 0.000 0.216 323 G C 1.146 176.138 174.900 0.154 0.000 1.140 323 G CA 0.339 45.565 45.100 0.210 0.000 0.801 323 G HN 0.395 nan 8.290 nan 0.000 0.536 324 F N -0.587 119.593 119.950 0.382 0.000 2.731 324 F HA 0.471 5.001 4.527 0.005 0.000 0.298 324 F C 1.906 177.987 175.800 0.468 0.000 1.106 324 F CA 0.003 58.252 58.000 0.415 0.000 1.329 324 F CB 0.501 39.599 39.000 0.164 0.000 1.100 324 F HN 0.047 nan 8.300 nan 0.000 0.592 325 I N -2.142 118.698 120.570 0.449 0.000 3.650 325 I HA -0.057 4.116 4.170 0.005 0.000 0.261 325 I C 1.974 178.143 176.117 0.085 0.000 1.154 325 I CA 0.533 62.044 61.300 0.351 0.000 1.418 325 I CB -0.374 37.808 38.000 0.303 0.000 1.539 325 I HN -0.214 nan 8.210 nan 0.000 0.449 326 T N 2.026 116.590 114.554 0.017 0.000 2.674 326 T HA -0.152 4.201 4.350 0.005 0.000 0.265 326 T C 1.854 176.364 174.700 -0.318 0.000 1.039 326 T CA 1.469 63.512 62.100 -0.095 0.000 1.150 326 T CB -0.301 68.538 68.868 -0.049 0.000 0.864 326 T HN 0.069 nan 8.240 nan 0.000 0.427 327 L N 2.650 123.601 121.223 -0.454 0.000 2.012 327 L HA -0.016 4.327 4.340 0.005 0.000 0.210 327 L C -0.682 175.577 176.870 -1.019 0.000 1.073 327 L CA 1.920 56.208 54.840 -0.921 0.000 0.748 327 L CB -1.248 40.063 42.059 -1.247 0.000 0.891 327 L HN 0.152 nan 8.230 nan 0.000 0.431 328 P HA -0.160 nan 4.420 nan 0.000 0.217 328 P C 1.386 178.228 177.300 -0.763 0.000 1.150 328 P CA 1.974 64.851 63.100 -0.371 0.000 0.832 328 P CB -0.134 31.660 31.700 0.157 0.000 0.787 329 A N 0.135 122.293 122.820 -1.102 0.000 1.902 329 A HA -0.144 4.179 4.320 0.005 0.000 0.217 329 A C 2.387 179.652 177.584 -0.531 0.000 1.181 329 A CA 1.362 52.721 52.037 -1.129 0.000 0.623 329 A CB -1.545 17.127 19.000 -0.547 0.000 0.818 329 A HN 0.107 nan 8.150 nan 0.000 0.443 330 I N -1.444 118.776 120.570 -0.584 0.000 2.179 330 I HA -0.223 3.950 4.170 0.005 0.000 0.242 330 I C 2.184 178.020 176.117 -0.467 0.000 1.088 330 I CA 1.137 61.959 61.300 -0.797 0.000 1.357 330 I CB -0.394 36.954 38.000 -1.086 0.000 1.051 330 I HN 0.245 nan 8.210 nan 0.000 0.409 331 F N 1.319 121.012 119.950 -0.427 0.000 2.161 331 F HA -0.226 4.303 4.527 0.004 0.000 0.300 331 F C 3.012 178.756 175.800 -0.093 0.000 1.089 331 F CA 1.383 59.242 58.000 -0.234 0.000 1.282 331 F CB -1.562 37.338 39.000 -0.167 0.000 1.010 331 F HN 0.197 nan 8.300 nan 0.000 0.485 332 S N -0.630 115.135 115.700 0.110 0.000 2.469 332 S HA -0.169 4.304 4.470 0.005 0.000 0.238 332 S C 1.493 176.173 174.600 0.134 0.000 0.998 332 S CA 0.783 59.085 58.200 0.169 0.000 0.957 332 S CB -0.389 62.972 63.200 0.268 0.000 0.764 332 S HN 0.366 nan 8.310 nan 0.000 0.514 333 Q N 1.768 121.625 119.800 0.094 0.000 2.365 333 Q HA 0.179 4.522 4.340 0.005 0.000 0.203 333 Q C 0.618 176.707 176.000 0.147 0.000 0.929 333 Q CA 0.568 56.455 55.803 0.141 0.000 0.948 333 Q CB 0.205 29.080 28.738 0.228 0.000 1.043 333 Q HN 0.878 nan 8.270 nan 0.000 0.505 334 T N -3.575 111.051 114.554 0.121 0.000 2.916 334 T HA 0.736 5.089 4.350 0.005 0.000 0.292 334 T C -0.265 174.479 174.700 0.074 0.000 1.055 334 T CA -0.834 61.324 62.100 0.097 0.000 1.009 334 T CB 2.109 71.027 68.868 0.083 0.000 1.118 334 T HN 0.069 nan 8.240 nan 0.000 0.497 335 A N 0.635 123.488 122.820 0.055 0.000 2.524 335 A HA 0.545 4.868 4.320 0.005 0.000 0.250 335 A C 1.632 179.247 177.584 0.052 0.000 1.078 335 A CA 0.334 52.400 52.037 0.048 0.000 0.761 335 A CB -1.382 17.637 19.000 0.032 0.000 1.012 335 A HN 2.457 nan 8.150 nan 0.000 0.500 336 G N 1.642 110.484 108.800 0.070 0.000 2.148 336 G HA2 -0.147 3.816 3.960 0.005 0.000 0.254 336 G HA3 -0.147 3.816 3.960 0.005 0.000 0.254 336 G C 1.232 176.220 174.900 0.147 0.000 0.981 336 G CA 0.904 46.068 45.100 0.107 0.000 0.670 336 G HN 1.863 nan 8.290 nan 0.000 0.528 337 G N -0.482 108.390 108.800 0.119 0.000 2.432 337 G HA2 -0.020 3.943 3.960 0.005 0.000 0.219 337 G HA3 -0.020 3.943 3.960 0.005 0.000 0.219 337 G C 1.617 176.675 174.900 0.264 0.000 1.135 337 G CA 2.243 47.422 45.100 0.132 0.000 0.767 337 G HN 0.629 nan 8.290 nan 0.000 0.550 338 T N 0.435 115.167 114.554 0.296 0.000 2.821 338 T HA -0.068 4.285 4.350 0.005 0.000 0.267 338 T C 1.899 176.900 174.700 0.501 0.000 1.046 338 T CA 0.844 63.188 62.100 0.406 0.000 1.139 338 T CB -0.233 68.769 68.868 0.224 0.000 0.871 338 T HN 0.242 nan 8.240 nan 0.000 0.454 339 F N 1.364 121.464 119.950 0.250 0.000 2.234 339 F HA 0.061 4.591 4.527 0.005 0.000 0.299 339 F C 1.895 177.870 175.800 0.293 0.000 1.087 339 F CA 0.551 58.718 58.000 0.278 0.000 1.340 339 F CB -0.287 38.806 39.000 0.154 0.000 1.031 339 F HN -0.002 nan 8.300 nan 0.000 0.500 340 L N 0.109 121.438 121.223 0.177 0.000 2.083 340 L HA -0.106 4.237 4.340 0.005 0.000 0.209 340 L C 2.623 179.482 176.870 -0.018 0.000 1.083 340 L CA 1.928 56.696 54.840 -0.119 0.000 0.752 340 L CB -2.115 39.588 42.059 -0.592 0.000 0.899 340 L HN 0.322 nan 8.230 nan 0.000 0.433 341 G N -0.971 107.991 108.800 0.269 0.000 2.418 341 G HA2 -0.350 3.613 3.960 0.005 0.000 0.217 341 G HA3 -0.350 3.613 3.960 0.005 0.000 0.217 341 G C 1.556 176.586 174.900 0.215 0.000 1.158 341 G CA 0.673 45.962 45.100 0.314 0.000 0.771 341 G HN 0.376 nan 8.290 nan 0.000 0.545 342 F N 1.538 121.601 119.950 0.188 0.000 2.095 342 F HA -0.030 4.500 4.527 0.005 0.000 0.298 342 F C 2.361 178.146 175.800 -0.025 0.000 1.104 342 F CA 1.286 59.352 58.000 0.111 0.000 1.232 342 F CB -0.434 38.505 39.000 -0.101 0.000 0.987 342 F HN 0.063 nan 8.300 nan 0.000 0.475 343 L N -0.490 120.403 121.223 -0.550 0.000 2.079 343 L HA -0.256 4.087 4.340 0.005 0.000 0.210 343 L C 2.630 179.347 176.870 -0.255 0.000 1.081 343 L CA 1.699 56.205 54.840 -0.556 0.000 0.752 343 L CB -1.123 40.766 42.059 -0.284 0.000 0.896 343 L HN 0.558 nan 8.230 nan 0.000 0.433 344 W N 0.901 121.982 121.300 -0.364 0.000 2.355 344 W HA -0.260 4.404 4.660 0.006 0.000 0.309 344 W C 2.097 178.298 176.519 -0.530 0.000 1.206 344 W CA 1.242 58.318 57.345 -0.447 0.000 1.284 344 W CB -0.296 28.867 29.460 -0.495 0.000 1.145 344 W HN 0.060 nan 8.180 nan 0.000 0.502 345 F N -0.259 119.501 119.950 -0.317 0.000 2.325 345 F HA -0.093 4.438 4.527 0.005 0.000 0.299 345 F C 2.206 177.859 175.800 -0.245 0.000 1.090 345 F CA 1.106 58.871 58.000 -0.393 0.000 1.392 345 F CB -1.542 37.381 39.000 -0.129 0.000 1.053 345 F HN -0.169 nan 8.300 nan 0.000 0.521 346 F N 0.163 119.916 119.950 -0.329 0.000 2.163 346 F HA -0.126 4.404 4.527 0.005 0.000 0.297 346 F C 2.204 177.825 175.800 -0.297 0.000 1.094 346 F CA 0.895 58.681 58.000 -0.355 0.000 1.290 346 F CB -0.549 37.974 39.000 -0.794 0.000 1.017 346 F HN -0.046 nan 8.300 nan 0.000 0.483 347 L N 0.384 121.414 121.223 -0.322 0.000 2.012 347 L HA -0.198 4.145 4.340 0.005 0.000 0.210 347 L C 2.090 178.696 176.870 -0.439 0.000 1.073 347 L CA 1.899 56.499 54.840 -0.400 0.000 0.748 347 L CB -1.053 40.731 42.059 -0.458 0.000 0.891 347 L HN 0.210 nan 8.230 nan 0.000 0.431 348 L N -1.548 119.337 121.223 -0.562 0.000 2.042 348 L HA -0.236 4.107 4.340 0.005 0.000 0.210 348 L C 2.507 179.293 176.870 -0.140 0.000 1.076 348 L CA 1.535 56.105 54.840 -0.449 0.000 0.749 348 L CB -0.794 40.892 42.059 -0.621 0.000 0.893 348 L HN 0.342 nan 8.230 nan 0.000 0.432 349 F N 0.312 120.142 119.950 -0.200 0.000 2.102 349 F HA -0.255 4.275 4.527 0.005 0.000 0.298 349 F C 2.255 178.099 175.800 0.073 0.000 1.105 349 F CA 1.429 59.393 58.000 -0.061 0.000 1.239 349 F CB -0.405 38.558 39.000 -0.062 0.000 0.991 349 F HN -0.109 nan 8.300 nan 0.000 0.474 350 F N 0.595 120.278 119.950 -0.444 0.000 2.186 350 F HA -0.034 4.496 4.527 0.005 0.000 0.299 350 F C 2.577 178.243 175.800 -0.223 0.000 1.090 350 F CA 0.838 58.601 58.000 -0.395 0.000 1.307 350 F CB -1.535 37.264 39.000 -0.334 0.000 1.019 350 F HN 0.084 nan 8.300 nan 0.000 0.489 351 A N -0.089 122.740 122.820 0.015 0.000 1.902 351 A HA -0.051 4.272 4.320 0.005 0.000 0.217 351 A C 2.615 180.238 177.584 0.066 0.000 1.181 351 A CA 1.788 53.871 52.037 0.077 0.000 0.623 351 A CB -1.511 17.582 19.000 0.154 0.000 0.818 351 A HN 0.387 nan 8.150 nan 0.000 0.443 352 G N -0.292 108.512 108.800 0.007 0.000 2.404 352 G HA2 -0.110 3.853 3.960 0.005 0.000 0.215 352 G HA3 -0.110 3.853 3.960 0.005 0.000 0.215 352 G C 1.479 176.395 174.900 0.027 0.000 1.174 352 G CA 1.134 46.278 45.100 0.072 0.000 0.780 352 G HN 0.446 nan 8.290 nan 0.000 0.537 353 L N 1.871 122.953 121.223 -0.233 0.000 2.012 353 L HA -0.096 4.247 4.340 0.005 0.000 0.210 353 L C 3.116 179.902 176.870 -0.139 0.000 1.073 353 L CA 2.881 57.537 54.840 -0.306 0.000 0.748 353 L CB -1.145 40.531 42.059 -0.639 0.000 0.891 353 L HN 0.388 nan 8.230 nan 0.000 0.431 354 T N -4.714 109.815 114.554 -0.042 0.000 2.929 354 T HA -0.079 4.274 4.350 0.005 0.000 0.271 354 T C 1.832 176.526 174.700 -0.010 0.000 1.085 354 T CA 1.376 63.502 62.100 0.043 0.000 1.125 354 T CB -0.459 68.436 68.868 0.045 0.000 0.874 354 T HN 0.333 nan 8.240 nan 0.000 0.494 355 S N 1.537 117.211 115.700 -0.044 0.000 2.441 355 S HA 0.027 4.500 4.470 0.005 0.000 0.224 355 S C 2.465 176.903 174.600 -0.270 0.000 1.043 355 S CA 0.687 58.782 58.200 -0.175 0.000 0.948 355 S CB -0.178 62.919 63.200 -0.172 0.000 0.810 355 S HN 0.815 nan 8.310 nan 0.000 0.504 356 S N 3.182 118.804 115.700 -0.131 0.000 2.383 356 S HA -0.076 4.397 4.470 0.005 0.000 0.227 356 S C 1.991 176.522 174.600 -0.115 0.000 1.026 356 S CA 1.117 59.239 58.200 -0.130 0.000 0.981 356 S CB -1.014 62.220 63.200 0.056 0.000 0.818 356 S HN 0.697 nan 8.310 nan 0.000 0.472 357 I N 0.234 120.752 120.570 -0.087 0.000 2.454 357 I HA 0.051 4.224 4.170 0.005 0.000 0.254 357 I C 2.548 178.676 176.117 0.019 0.000 1.156 357 I CA 1.202 62.476 61.300 -0.044 0.000 1.433 357 I CB -0.823 37.148 38.000 -0.049 0.000 1.082 357 I HN 0.323 nan 8.210 nan 0.000 0.432 358 A N 2.649 125.441 122.820 -0.046 0.000 1.968 358 A HA 0.017 4.340 4.320 0.005 0.000 0.217 358 A C 2.273 179.734 177.584 -0.205 0.000 1.169 358 A CA 1.550 53.481 52.037 -0.176 0.000 0.638 358 A CB -0.758 17.946 19.000 -0.494 0.000 0.812 358 A HN 0.723 nan 8.150 nan 0.000 0.446 359 I N -5.037 115.398 120.570 -0.225 0.000 3.793 359 I HA 0.225 4.398 4.170 0.005 0.000 0.315 359 I C 1.769 177.837 176.117 -0.081 0.000 1.275 359 I CA 0.463 61.647 61.300 -0.193 0.000 1.214 359 I CB 0.002 37.816 38.000 -0.310 0.000 1.018 359 I HN 0.114 nan 8.210 nan 0.000 0.439 360 M N 0.292 119.868 119.600 -0.038 0.000 2.514 360 M HA 0.056 4.539 4.480 0.005 0.000 0.258 360 M C 2.053 178.384 176.300 0.051 0.000 1.159 360 M CA 0.538 55.846 55.300 0.013 0.000 1.116 360 M CB 0.211 32.818 32.600 0.011 0.000 1.333 360 M HN 0.159 nan 8.290 nan 0.000 0.487 361 Q N 1.400 121.245 119.800 0.075 0.000 2.170 361 Q HA -0.087 4.256 4.340 0.005 0.000 0.203 361 Q C -1.098 174.987 176.000 0.140 0.000 0.976 361 Q CA 1.946 57.826 55.803 0.129 0.000 0.858 361 Q CB -1.147 27.741 28.738 0.251 0.000 0.907 361 Q HN 0.232 nan 8.270 nan 0.000 0.433 362 P HA -0.137 nan 4.420 nan 0.000 0.215 362 P C 1.135 178.506 177.300 0.119 0.000 1.157 362 P CA 1.379 64.541 63.100 0.102 0.000 0.863 362 P CB -0.148 31.583 31.700 0.052 0.000 0.787 363 M N -1.028 118.633 119.600 0.101 0.000 2.117 363 M HA -0.106 4.377 4.480 0.005 0.000 0.262 363 M C 1.852 178.267 176.300 0.191 0.000 1.065 363 M CA 1.775 57.158 55.300 0.139 0.000 1.114 363 M CB -1.213 31.459 32.600 0.119 0.000 1.361 363 M HN -0.205 nan 8.290 nan 0.000 0.408 364 I N -0.164 120.492 120.570 0.143 0.000 2.179 364 I HA -0.282 3.891 4.170 0.005 0.000 0.242 364 I C 2.395 178.578 176.117 0.111 0.000 1.088 364 I CA 1.309 62.681 61.300 0.119 0.000 1.357 364 I CB -0.777 37.268 38.000 0.076 0.000 1.051 364 I HN 0.400 nan 8.210 nan 0.000 0.409 365 A N 0.470 123.370 122.820 0.134 0.000 1.933 365 A HA -0.260 4.063 4.320 0.005 0.000 0.218 365 A C 2.233 179.871 177.584 0.091 0.000 1.175 365 A CA 1.501 53.612 52.037 0.123 0.000 0.628 365 A CB -0.956 18.137 19.000 0.155 0.000 0.814 365 A HN 0.487 nan 8.150 nan 0.000 0.444 366 F N 0.635 120.588 119.950 0.005 0.000 2.102 366 F HA -0.113 4.417 4.527 0.005 0.000 0.298 366 F C 1.836 177.619 175.800 -0.029 0.000 1.105 366 F CA 1.713 59.699 58.000 -0.023 0.000 1.239 366 F CB -0.311 38.658 39.000 -0.052 0.000 0.991 366 F HN 0.131 nan 8.300 nan 0.000 0.474 367 L N 0.029 121.212 121.223 -0.067 0.000 2.131 367 L HA -0.181 4.162 4.340 0.005 0.000 0.210 367 L C 2.320 179.083 176.870 -0.179 0.000 1.092 367 L CA 1.606 56.351 54.840 -0.157 0.000 0.759 367 L CB -0.703 41.394 42.059 0.064 0.000 0.903 367 L HN 0.242 nan 8.230 nan 0.000 0.435 368 E N -0.146 119.991 120.200 -0.106 0.000 2.033 368 E HA -0.159 4.194 4.350 0.005 0.000 0.189 368 E C 1.740 178.252 176.600 -0.146 0.000 0.979 368 E CA 1.078 57.420 56.400 -0.095 0.000 0.802 368 E CB 0.009 29.679 29.700 -0.050 0.000 0.763 368 E HN 0.435 nan 8.360 nan 0.000 0.449 369 D N 0.669 120.975 120.400 -0.157 0.000 2.097 369 D HA -0.125 4.518 4.640 0.005 0.000 0.197 369 D C 1.825 177.999 176.300 -0.209 0.000 0.984 369 D CA 1.060 54.958 54.000 -0.170 0.000 0.826 369 D CB -0.020 40.713 40.800 -0.112 0.000 0.973 369 D HN 0.120 nan 8.370 nan 0.000 0.460 370 E N -0.121 119.860 120.200 -0.364 0.000 2.201 370 E HA 0.129 4.482 4.350 0.005 0.000 0.193 370 E C 2.112 178.459 176.600 -0.422 0.000 0.957 370 E CA 0.118 56.266 56.400 -0.421 0.000 0.858 370 E CB 0.212 29.499 29.700 -0.688 0.000 0.816 370 E HN 0.286 nan 8.360 nan 0.000 0.475 371 L N 0.705 121.641 121.223 -0.478 0.000 2.640 371 L HA 0.160 4.503 4.340 0.005 0.000 0.230 371 L C -0.058 176.692 176.870 -0.199 0.000 1.123 371 L CA -0.106 54.542 54.840 -0.320 0.000 0.900 371 L CB 0.174 42.044 42.059 -0.315 0.000 1.146 371 L HN -0.127 nan 8.230 nan 0.000 0.484 372 K N 0.489 120.778 120.400 -0.184 0.000 3.160 372 K HA -0.162 4.161 4.320 0.005 0.000 0.280 372 K C -0.066 176.493 176.600 -0.069 0.000 1.154 372 K CA 0.729 56.945 56.287 -0.118 0.000 0.822 372 K CB -2.331 30.108 32.500 -0.101 0.000 1.239 372 K HN 0.338 nan 8.250 nan 0.000 0.489 373 L N 1.065 122.256 121.223 -0.053 0.000 2.453 373 L HA 0.147 4.490 4.340 0.005 0.000 0.261 373 L C 1.528 178.404 176.870 0.010 0.000 1.179 373 L CA -0.236 54.623 54.840 0.031 0.000 0.813 373 L CB 0.675 42.788 42.059 0.089 0.000 1.110 373 L HN 0.261 nan 8.230 nan 0.000 0.466 374 S N 0.961 116.667 115.700 0.009 0.000 2.600 374 S HA 0.110 4.583 4.470 0.005 0.000 0.265 374 S C 0.959 175.523 174.600 -0.059 0.000 1.325 374 S CA -0.485 57.661 58.200 -0.089 0.000 1.002 374 S CB 1.147 64.200 63.200 -0.245 0.000 0.921 374 S HN 0.712 nan 8.310 nan 0.000 0.554 375 R N 1.103 121.552 120.500 -0.086 0.000 2.081 375 R HA -0.127 4.216 4.340 0.005 0.000 0.235 375 R C 2.324 178.596 176.300 -0.047 0.000 1.131 375 R CA 1.757 57.818 56.100 -0.066 0.000 0.960 375 R CB -0.402 29.837 30.300 -0.101 0.000 0.856 375 R HN 0.853 nan 8.270 nan 0.000 0.436 376 K N -0.424 119.919 120.400 -0.096 0.000 2.032 376 K HA -0.224 4.099 4.320 0.005 0.000 0.209 376 K C 1.774 178.406 176.600 0.053 0.000 1.048 376 K CA 2.130 58.373 56.287 -0.074 0.000 0.927 376 K CB -0.221 32.187 32.500 -0.154 0.000 0.712 376 K HN 0.503 nan 8.250 nan 0.000 0.441 377 H N -0.905 118.194 119.070 0.048 0.000 2.389 377 H HA -0.024 4.535 4.556 0.005 0.000 0.299 377 H C 2.082 177.552 175.328 0.236 0.000 1.081 377 H CA 0.564 56.697 56.048 0.141 0.000 1.345 377 H CB 0.101 29.982 29.762 0.198 0.000 1.393 377 H HN 0.393 nan 8.280 nan 0.000 0.520 378 A N 0.692 123.677 122.820 0.275 0.000 1.877 378 A HA -0.134 4.189 4.320 0.005 0.000 0.216 378 A C 2.577 180.276 177.584 0.191 0.000 1.186 378 A CA 1.463 53.633 52.037 0.222 0.000 0.620 378 A CB -0.783 18.285 19.000 0.114 0.000 0.822 378 A HN 0.196 nan 8.150 nan 0.000 0.443 379 V N 0.136 120.115 119.914 0.107 0.000 2.307 379 V HA -0.240 3.883 4.120 0.005 0.000 0.245 379 V C 2.575 178.705 176.094 0.061 0.000 1.045 379 V CA 1.919 64.253 62.300 0.057 0.000 1.024 379 V CB -0.745 31.069 31.823 -0.014 0.000 0.651 379 V HN 0.560 nan 8.190 nan 0.000 0.449 380 L N -1.908 119.340 121.223 0.042 0.000 2.046 380 L HA -0.187 4.156 4.340 0.005 0.000 0.208 380 L C 2.405 179.247 176.870 -0.046 0.000 1.077 380 L CA 1.934 56.745 54.840 -0.050 0.000 0.747 380 L CB -0.514 41.464 42.059 -0.134 0.000 0.896 380 L HN 0.383 nan 8.230 nan 0.000 0.432 381 W N 0.027 121.372 121.300 0.075 0.000 2.388 381 W HA -0.155 4.508 4.660 0.005 0.000 0.294 381 W C 2.695 179.283 176.519 0.114 0.000 1.212 381 W CA 1.271 58.668 57.345 0.088 0.000 1.271 381 W CB -0.439 29.077 29.460 0.095 0.000 1.126 381 W HN 0.008 nan 8.180 nan 0.000 0.535 382 T N -0.023 114.729 114.554 0.331 0.000 2.746 382 T HA -0.187 4.166 4.350 0.005 0.000 0.267 382 T C 1.966 176.790 174.700 0.206 0.000 1.039 382 T CA 1.701 63.951 62.100 0.250 0.000 1.142 382 T CB -0.709 68.266 68.868 0.179 0.000 0.866 382 T HN 0.181 nan 8.240 nan 0.000 0.444 383 A N 1.401 124.307 122.820 0.144 0.000 1.933 383 A HA 0.139 4.462 4.320 0.005 0.000 0.218 383 A C 2.620 180.319 177.584 0.192 0.000 1.175 383 A CA 1.841 53.946 52.037 0.114 0.000 0.628 383 A CB -1.046 17.966 19.000 0.019 0.000 0.814 383 A HN 0.505 nan 8.150 nan 0.000 0.444 384 A N -0.055 122.873 122.820 0.180 0.000 1.902 384 A HA -0.068 4.255 4.320 0.005 0.000 0.217 384 A C 2.116 179.925 177.584 0.375 0.000 1.181 384 A CA 1.505 53.688 52.037 0.243 0.000 0.623 384 A CB -0.584 18.473 19.000 0.095 0.000 0.818 384 A HN 0.495 nan 8.150 nan 0.000 0.443 385 I N -0.483 120.300 120.570 0.354 0.000 2.226 385 I HA -0.205 3.968 4.170 0.005 0.000 0.245 385 I C 2.322 178.673 176.117 0.390 0.000 1.100 385 I CA 1.095 62.616 61.300 0.368 0.000 1.374 385 I CB -0.274 37.920 38.000 0.324 0.000 1.057 385 I HN 0.155 nan 8.210 nan 0.000 0.413 386 V N 0.549 120.665 119.914 0.336 0.000 2.307 386 V HA -0.286 3.837 4.120 0.005 0.000 0.245 386 V C 2.265 178.601 176.094 0.404 0.000 1.045 386 V CA 1.815 64.306 62.300 0.318 0.000 1.024 386 V CB -0.712 31.259 31.823 0.248 0.000 0.651 386 V HN 0.358 nan 8.190 nan 0.000 0.449 387 F N 0.682 120.809 119.950 0.296 0.000 2.095 387 F HA -0.241 4.288 4.527 0.005 0.000 0.298 387 F C 2.136 178.243 175.800 0.512 0.000 1.104 387 F CA 1.900 60.123 58.000 0.373 0.000 1.232 387 F CB -0.625 38.514 39.000 0.232 0.000 0.987 387 F HN 0.195 nan 8.300 nan 0.000 0.475 388 F N 0.817 120.896 119.950 0.215 0.000 2.075 388 F HA -0.177 4.353 4.527 0.005 0.000 0.297 388 F C 2.540 178.410 175.800 0.115 0.000 1.113 388 F CA 2.160 60.206 58.000 0.076 0.000 1.218 388 F CB -1.087 37.988 39.000 0.125 0.000 0.984 388 F HN -0.058 nan 8.300 nan 0.000 0.472 389 S N 0.582 116.351 115.700 0.115 0.000 2.400 389 S HA -0.186 4.287 4.470 0.005 0.000 0.232 389 S C 2.234 176.762 174.600 -0.120 0.000 1.025 389 S CA 0.988 59.180 58.200 -0.013 0.000 0.993 389 S CB -0.924 62.485 63.200 0.348 0.000 0.808 389 S HN 0.562 nan 8.310 nan 0.000 0.478 390 A N 0.970 123.765 122.820 -0.042 0.000 2.070 390 A HA -0.154 4.169 4.320 0.005 0.000 0.220 390 A C 1.604 178.928 177.584 -0.433 0.000 1.159 390 A CA 1.471 53.380 52.037 -0.214 0.000 0.656 390 A CB -0.765 18.108 19.000 -0.212 0.000 0.800 390 A HN 0.542 nan 8.150 nan 0.000 0.453 391 H N -1.302 117.521 119.070 -0.413 0.000 2.456 391 H HA -0.069 4.491 4.556 0.005 0.000 0.296 391 H C 1.794 177.026 175.328 -0.161 0.000 1.079 391 H CA 1.427 57.322 56.048 -0.254 0.000 1.322 391 H CB -0.119 29.471 29.762 -0.286 0.000 1.388 391 H HN 0.426 nan 8.280 nan 0.000 0.538 392 L N -0.068 121.042 121.223 -0.188 0.000 2.056 392 L HA -0.110 4.233 4.340 0.005 0.000 0.207 392 L C 2.029 178.839 176.870 -0.099 0.000 1.078 392 L CA 1.173 55.922 54.840 -0.152 0.000 0.749 392 L CB -0.478 41.431 42.059 -0.250 0.000 0.901 392 L HN 0.102 nan 8.230 nan 0.000 0.433 393 V N -0.577 119.249 119.914 -0.146 0.000 2.515 393 V HA -0.273 3.850 4.120 0.005 0.000 0.250 393 V C 2.479 178.440 176.094 -0.221 0.000 1.058 393 V CA 1.972 64.206 62.300 -0.109 0.000 1.064 393 V CB -0.510 31.284 31.823 -0.049 0.000 0.675 393 V HN 0.429 nan 8.190 nan 0.000 0.461 394 M N -1.625 117.656 119.600 -0.531 0.000 2.319 394 M HA -0.000 4.483 4.480 0.005 0.000 0.265 394 M C 1.693 177.585 176.300 -0.680 0.000 1.068 394 M CA 1.890 56.710 55.300 -0.800 0.000 1.118 394 M CB -0.117 31.735 32.600 -1.245 0.000 1.395 394 M HN 0.328 nan 8.290 nan 0.000 0.435 395 F N -0.994 118.841 119.950 -0.192 0.000 2.727 395 F HA 0.258 4.788 4.527 0.005 0.000 0.302 395 F C 0.365 176.104 175.800 -0.102 0.000 1.107 395 F CA -0.349 57.574 58.000 -0.129 0.000 1.277 395 F CB 0.496 39.424 39.000 -0.121 0.000 1.079 395 F HN -0.083 nan 8.300 nan 0.000 0.594 396 L N 1.284 122.534 121.223 0.045 0.000 2.280 396 L HA 0.394 4.737 4.340 0.005 0.000 0.287 396 L C -0.153 176.696 176.870 -0.035 0.000 1.023 396 L CA -0.655 54.184 54.840 -0.002 0.000 0.819 396 L CB 0.300 42.354 42.059 -0.009 0.000 1.212 396 L HN -0.090 nan 8.230 nan 0.000 0.420 397 N N 4.470 123.132 118.700 -0.064 0.000 2.412 397 N HA 0.056 4.799 4.740 0.005 0.000 0.258 397 N C 0.241 175.710 175.510 -0.069 0.000 1.236 397 N CA 0.601 53.604 53.050 -0.078 0.000 0.882 397 N CB 0.379 38.795 38.487 -0.119 0.000 1.066 397 N HN 0.468 nan 8.380 nan 0.000 0.465 398 K N 0.137 120.515 120.400 -0.037 0.000 3.553 398 K HA -0.204 4.119 4.320 0.005 0.000 0.303 398 K C 1.162 177.759 176.600 -0.006 0.000 1.327 398 K CA 1.113 57.385 56.287 -0.025 0.000 0.983 398 K CB -2.152 30.318 32.500 -0.050 0.000 1.275 398 K HN 0.527 nan 8.250 nan 0.000 0.453 399 S N 0.701 116.404 115.700 0.005 0.000 2.368 399 S HA 0.007 4.480 4.470 0.005 0.000 0.225 399 S C 1.815 176.431 174.600 0.026 0.000 1.030 399 S CA 1.372 59.590 58.200 0.030 0.000 0.999 399 S CB -0.041 63.174 63.200 0.026 0.000 0.844 399 S HN 0.430 nan 8.310 nan 0.000 0.459 400 L N 1.246 122.480 121.223 0.017 0.000 2.013 400 L HA -0.181 4.162 4.340 0.005 0.000 0.212 400 L C 1.907 178.661 176.870 -0.193 0.000 1.073 400 L CA 2.316 57.122 54.840 -0.057 0.000 0.753 400 L CB -0.602 41.505 42.059 0.079 0.000 0.890 400 L HN 0.266 nan 8.230 nan 0.000 0.432 401 D N -0.503 119.850 120.400 -0.079 0.000 2.144 401 D HA -0.222 4.421 4.640 0.005 0.000 0.199 401 D C 2.064 178.339 176.300 -0.042 0.000 0.984 401 D CA 1.214 55.162 54.000 -0.086 0.000 0.834 401 D CB -0.026 40.740 40.800 -0.056 0.000 0.955 401 D HN 0.368 nan 8.370 nan 0.000 0.465 402 E N 0.230 120.444 120.200 0.023 0.000 2.077 402 E HA -0.084 4.269 4.350 0.005 0.000 0.193 402 E C 2.147 178.902 176.600 0.258 0.000 0.989 402 E CA 0.899 57.398 56.400 0.164 0.000 0.800 402 E CB -0.124 29.693 29.700 0.195 0.000 0.746 402 E HN 0.233 nan 8.360 nan 0.000 0.452 403 M N -0.109 119.567 119.600 0.127 0.000 2.132 403 M HA -0.125 4.358 4.480 0.005 0.000 0.263 403 M C 1.886 178.232 176.300 0.077 0.000 1.065 403 M CA 1.823 57.214 55.300 0.152 0.000 1.122 403 M CB -0.275 32.425 32.600 0.168 0.000 1.365 403 M HN 0.078 nan 8.290 nan 0.000 0.411 404 D N 0.099 120.347 120.400 -0.254 0.000 2.178 404 D HA -0.183 4.460 4.640 0.005 0.000 0.201 404 D C 1.641 177.988 176.300 0.078 0.000 0.980 404 D CA 1.062 54.977 54.000 -0.141 0.000 0.842 404 D CB 0.063 40.663 40.800 -0.333 0.000 0.948 404 D HN 0.268 nan 8.370 nan 0.000 0.472 405 F N -0.624 119.253 119.950 -0.121 0.000 2.094 405 F HA 0.021 4.551 4.527 0.005 0.000 0.291 405 F C 1.568 177.204 175.800 -0.274 0.000 1.109 405 F CA 1.258 59.104 58.000 -0.257 0.000 1.221 405 F CB -0.751 37.960 39.000 -0.482 0.000 1.014 405 F HN 0.014 nan 8.300 nan 0.000 0.473 406 W N 0.289 121.518 121.300 -0.118 0.000 2.358 406 W HA -0.052 4.611 4.660 0.006 0.000 0.303 406 W C 2.517 179.010 176.519 -0.043 0.000 1.208 406 W CA 1.666 58.917 57.345 -0.157 0.000 1.274 406 W CB -0.805 28.758 29.460 0.171 0.000 1.138 406 W HN 0.139 nan 8.180 nan 0.000 0.515 407 A N -0.397 122.542 122.820 0.198 0.000 1.887 407 A HA 0.227 4.550 4.320 0.005 0.000 0.210 407 A C 2.126 179.726 177.584 0.028 0.000 1.221 407 A CA 1.165 53.243 52.037 0.069 0.000 0.635 407 A CB -1.290 17.586 19.000 -0.206 0.000 0.881 407 A HN 0.211 nan 8.150 nan 0.000 0.456 408 G N -1.554 107.356 108.800 0.184 0.000 2.744 408 G HA2 0.229 4.192 3.960 0.005 0.000 0.211 408 G HA3 0.229 4.192 3.960 0.005 0.000 0.211 408 G C 1.064 176.112 174.900 0.247 0.000 1.143 408 G CA 1.589 46.898 45.100 0.348 0.000 0.788 408 G HN 0.448 nan 8.290 nan 0.000 0.534 409 T N 0.012 114.553 114.554 -0.021 0.000 3.393 409 T HA 0.108 4.461 4.350 0.005 0.000 0.231 409 T C 1.940 176.397 174.700 -0.406 0.000 0.983 409 T CA 0.175 62.230 62.100 -0.075 0.000 1.272 409 T CB -0.184 68.661 68.868 -0.040 0.000 1.214 409 T HN 0.031 nan 8.240 nan 0.000 0.368 410 I N 2.088 122.110 120.570 -0.913 0.000 2.353 410 I HA 0.142 4.315 4.170 0.005 0.000 0.248 410 I C 2.362 178.174 176.117 -0.508 0.000 1.119 410 I CA 1.414 62.062 61.300 -1.086 0.000 1.417 410 I CB -0.718 36.427 38.000 -1.426 0.000 1.078 410 I HN 0.358 nan 8.210 nan 0.000 0.421 411 G N 0.270 108.883 108.800 -0.312 0.000 2.476 411 G HA2 -0.274 3.689 3.960 0.005 0.000 0.218 411 G HA3 -0.274 3.689 3.960 0.005 0.000 0.218 411 G C 1.728 176.587 174.900 -0.069 0.000 1.164 411 G CA 1.741 46.807 45.100 -0.056 0.000 0.768 411 G HN 0.476 nan 8.290 nan 0.000 0.560 412 V N -0.981 118.786 119.914 -0.245 0.000 2.427 412 V HA -0.115 4.008 4.120 0.005 0.000 0.248 412 V C 2.700 178.506 176.094 -0.479 0.000 1.051 412 V CA 1.765 63.871 62.300 -0.324 0.000 1.048 412 V CB -0.795 30.707 31.823 -0.534 0.000 0.666 412 V HN 0.161 nan 8.190 nan 0.000 0.456 413 V N 0.208 119.731 119.914 -0.651 0.000 2.358 413 V HA -0.168 3.955 4.120 0.005 0.000 0.246 413 V C 2.366 178.296 176.094 -0.274 0.000 1.047 413 V CA 2.459 64.272 62.300 -0.812 0.000 1.035 413 V CB -0.971 30.626 31.823 -0.378 0.000 0.658 413 V HN 0.629 nan 8.190 nan 0.000 0.452 414 F N 0.449 120.241 119.950 -0.263 0.000 2.134 414 F HA -0.217 4.313 4.527 0.005 0.000 0.299 414 F C 2.051 177.815 175.800 -0.061 0.000 1.097 414 F CA 1.716 59.619 58.000 -0.162 0.000 1.264 414 F CB -0.512 38.351 39.000 -0.229 0.000 1.001 414 F HN 0.171 nan 8.300 nan 0.000 0.479 415 F N 1.191 120.920 119.950 -0.367 0.000 2.234 415 F HA 0.100 4.629 4.527 0.005 0.000 0.299 415 F C 2.393 178.103 175.800 -0.151 0.000 1.087 415 F CA 1.323 59.127 58.000 -0.327 0.000 1.340 415 F CB -1.070 37.897 39.000 -0.054 0.000 1.031 415 F HN 0.033 nan 8.300 nan 0.000 0.500 416 G N 0.198 108.998 108.800 -0.000 0.000 2.418 416 G HA2 -0.263 3.700 3.960 0.005 0.000 0.217 416 G HA3 -0.263 3.700 3.960 0.005 0.000 0.217 416 G C 1.617 176.480 174.900 -0.061 0.000 1.158 416 G CA 0.936 46.120 45.100 0.140 0.000 0.771 416 G HN 0.399 nan 8.290 nan 0.000 0.545 417 L N 0.906 122.052 121.223 -0.129 0.000 2.056 417 L HA 0.047 4.390 4.340 0.005 0.000 0.207 417 L C 2.849 179.500 176.870 -0.364 0.000 1.078 417 L CA 2.460 57.176 54.840 -0.208 0.000 0.749 417 L CB -0.967 40.997 42.059 -0.159 0.000 0.901 417 L HN 0.161 nan 8.230 nan 0.000 0.433 418 T N 0.344 114.597 114.554 -0.501 0.000 2.708 418 T HA -0.216 4.137 4.350 0.005 0.000 0.266 418 T C 1.589 175.961 174.700 -0.547 0.000 1.037 418 T CA 1.793 63.565 62.100 -0.546 0.000 1.146 418 T CB -0.305 68.164 68.868 -0.664 0.000 0.865 418 T HN 0.699 nan 8.240 nan 0.000 0.435 419 E N 1.212 121.070 120.200 -0.570 0.000 2.110 419 E HA -0.080 4.273 4.350 0.005 0.000 0.193 419 E C 2.330 178.758 176.600 -0.287 0.000 0.988 419 E CA 0.839 56.943 56.400 -0.493 0.000 0.804 419 E CB -0.610 28.884 29.700 -0.344 0.000 0.745 419 E HN 0.416 nan 8.360 nan 0.000 0.458 420 L N 0.846 121.916 121.223 -0.255 0.000 2.056 420 L HA -0.122 4.221 4.340 0.005 0.000 0.207 420 L C 2.492 179.178 176.870 -0.306 0.000 1.078 420 L CA 1.177 55.899 54.840 -0.198 0.000 0.749 420 L CB -0.100 41.796 42.059 -0.271 0.000 0.901 420 L HN 0.156 nan 8.230 nan 0.000 0.433 421 I N -0.139 120.141 120.570 -0.484 0.000 2.179 421 I HA -0.347 3.826 4.170 0.005 0.000 0.242 421 I C 2.395 178.364 176.117 -0.247 0.000 1.088 421 I CA 1.518 62.492 61.300 -0.544 0.000 1.357 421 I CB -0.222 37.498 38.000 -0.466 0.000 1.051 421 I HN 0.259 nan 8.210 nan 0.000 0.409 422 I N -0.291 120.107 120.570 -0.286 0.000 2.226 422 I HA -0.307 3.866 4.170 0.005 0.000 0.245 422 I C 2.443 178.557 176.117 -0.005 0.000 1.100 422 I CA 1.512 62.668 61.300 -0.240 0.000 1.374 422 I CB -0.287 37.438 38.000 -0.460 0.000 1.057 422 I HN 0.180 nan 8.210 nan 0.000 0.413 423 F N 0.507 120.375 119.950 -0.137 0.000 2.179 423 F HA -0.078 4.452 4.527 0.005 0.000 0.292 423 F C 2.018 177.912 175.800 0.157 0.000 1.089 423 F CA 1.333 59.335 58.000 0.003 0.000 1.295 423 F CB -0.315 38.683 39.000 -0.004 0.000 1.041 423 F HN -0.130 nan 8.300 nan 0.000 0.487 424 F N -1.815 118.101 119.950 -0.056 0.000 2.698 424 F HA -0.000 4.530 4.527 0.005 0.000 0.295 424 F C 1.214 177.093 175.800 0.133 0.000 1.124 424 F CA 0.548 58.491 58.000 -0.095 0.000 1.426 424 F CB -0.103 38.832 39.000 -0.108 0.000 1.120 424 F HN -0.016 nan 8.300 nan 0.000 0.583 425 W N -0.681 120.583 121.300 -0.060 0.000 2.922 425 W HA 0.267 4.930 4.660 0.005 0.000 0.260 425 W C 2.121 178.535 176.519 -0.175 0.000 1.088 425 W CA 0.025 57.293 57.345 -0.129 0.000 1.694 425 W CB -1.069 28.322 29.460 -0.115 0.000 1.064 425 W HN -0.206 nan 8.180 nan 0.000 0.611 426 I N -0.485 120.112 120.570 0.045 0.000 2.193 426 I HA -0.255 3.918 4.170 0.005 0.000 0.240 426 I C 2.379 178.476 176.117 -0.033 0.000 1.084 426 I CA 1.409 62.634 61.300 -0.124 0.000 1.365 426 I CB -0.837 36.910 38.000 -0.420 0.000 1.064 426 I HN -0.200 nan 8.210 nan 0.000 0.410 427 F N 1.892 121.762 119.950 -0.133 0.000 2.171 427 F HA 0.074 4.604 4.527 0.005 0.000 0.300 427 F C 1.061 176.744 175.800 -0.195 0.000 1.090 427 F CA 1.232 59.156 58.000 -0.127 0.000 1.293 427 F CB -0.257 38.661 39.000 -0.136 0.000 1.013 427 F HN 0.111 nan 8.300 nan 0.000 0.486 428 G N -1.007 107.621 108.800 -0.286 0.000 3.162 428 G HA2 0.316 4.279 3.960 0.005 0.000 0.599 428 G HA3 0.316 4.279 3.960 0.005 0.000 0.599 428 G C 0.342 174.936 174.900 -0.509 0.000 1.335 428 G CA -0.410 44.446 45.100 -0.406 0.000 1.091 428 G HN 0.604 nan 8.290 nan 0.000 0.570 429 A N 1.638 124.188 122.820 -0.450 0.000 1.917 429 A HA -0.044 4.278 4.320 0.005 0.000 0.219 429 A C 2.011 179.283 177.584 -0.521 0.000 1.182 429 A CA 2.542 54.140 52.037 -0.731 0.000 0.633 429 A CB -0.242 18.546 19.000 -0.353 0.000 0.819 429 A HN 0.680 nan 8.150 nan 0.000 0.448 430 D N -0.758 119.493 120.400 -0.248 0.000 2.183 430 D HA -0.067 4.576 4.640 0.005 0.000 0.203 430 D C 1.890 178.092 176.300 -0.163 0.000 0.969 430 D CA 1.127 55.051 54.000 -0.125 0.000 0.842 430 D CB -0.181 40.544 40.800 -0.124 0.000 0.957 430 D HN 0.478 nan 8.370 nan 0.000 0.484 431 K N 0.735 120.938 120.400 -0.329 0.000 2.103 431 K HA -0.004 4.319 4.320 0.005 0.000 0.204 431 K C 2.116 178.572 176.600 -0.240 0.000 1.052 431 K CA 0.897 56.974 56.287 -0.351 0.000 0.945 431 K CB 0.068 32.103 32.500 -0.776 0.000 0.722 431 K HN -0.023 nan 8.250 nan 0.000 0.443 432 A N 1.125 123.661 122.820 -0.473 0.000 1.873 432 A HA -0.192 4.131 4.320 0.005 0.000 0.215 432 A C 1.924 179.397 177.584 -0.186 0.000 1.186 432 A CA 1.043 52.650 52.037 -0.716 0.000 0.616 432 A CB -0.952 17.127 19.000 -1.536 0.000 0.823 432 A HN 0.612 nan 8.150 nan 0.000 0.442 433 W N 1.073 122.172 121.300 -0.335 0.000 2.338 433 W HA -0.234 4.428 4.660 0.005 0.000 0.304 433 W C 1.948 178.463 176.519 -0.006 0.000 1.212 433 W CA 2.220 59.562 57.345 -0.007 0.000 1.264 433 W CB -0.108 29.405 29.460 0.087 0.000 1.142 433 W HN 0.608 nan 8.180 nan 0.000 0.512 434 E N 0.823 121.050 120.200 0.045 0.000 2.051 434 E HA -0.311 4.042 4.350 0.005 0.000 0.192 434 E C 1.938 178.522 176.600 -0.027 0.000 0.991 434 E CA 2.020 58.405 56.400 -0.025 0.000 0.799 434 E CB -0.522 29.186 29.700 0.012 0.000 0.748 434 E HN 0.063 nan 8.360 nan 0.000 0.449 435 E N 0.534 120.768 120.200 0.058 0.000 2.110 435 E HA -0.142 4.211 4.350 0.005 0.000 0.193 435 E C 1.906 178.572 176.600 0.109 0.000 0.988 435 E CA 1.553 58.042 56.400 0.149 0.000 0.804 435 E CB -0.281 29.588 29.700 0.281 0.000 0.745 435 E HN 0.501 nan 8.360 nan 0.000 0.458 436 I N 0.666 121.277 120.570 0.068 0.000 2.179 436 I HA -0.251 3.922 4.170 0.005 0.000 0.242 436 I C 1.871 177.847 176.117 -0.234 0.000 1.088 436 I CA 1.115 62.391 61.300 -0.039 0.000 1.357 436 I CB -0.323 37.622 38.000 -0.092 0.000 1.051 436 I HN 0.135 nan 8.210 nan 0.000 0.409 437 N N 0.852 119.329 118.700 -0.372 0.000 2.494 437 N HA -0.064 4.679 4.740 0.005 0.000 0.182 437 N C 0.856 176.244 175.510 -0.203 0.000 1.076 437 N CA 0.153 52.970 53.050 -0.389 0.000 0.908 437 N CB -0.073 38.091 38.487 -0.538 0.000 0.967 437 N HN 0.280 nan 8.380 nan 0.000 0.449 438 R N 0.628 121.060 120.500 -0.113 0.000 2.458 438 R HA 0.075 4.417 4.340 0.005 0.000 0.303 438 R C 0.883 177.165 176.300 -0.031 0.000 1.013 438 R CA 0.960 57.033 56.100 -0.044 0.000 1.026 438 R CB -0.131 30.178 30.300 0.015 0.000 0.948 438 R HN 0.278 nan 8.270 nan 0.000 0.417 439 G N 2.625 111.406 108.800 -0.033 0.000 2.179 439 G HA2 -0.267 3.696 3.960 0.005 0.000 0.260 439 G HA3 -0.267 3.696 3.960 0.005 0.000 0.260 439 G C 0.393 175.268 174.900 -0.042 0.000 0.977 439 G CA -0.036 45.051 45.100 -0.022 0.000 0.641 439 G HN 0.950 nan 8.290 nan 0.000 0.533 440 G N -0.422 108.329 108.800 -0.082 0.000 2.380 440 G HA2 0.459 4.422 3.960 0.005 0.000 0.242 440 G HA3 0.459 4.422 3.960 0.005 0.000 0.242 440 G C 1.191 176.041 174.900 -0.083 0.000 1.298 440 G CA -0.010 45.024 45.100 -0.109 0.000 0.878 440 G HN 0.446 nan 8.290 nan 0.000 0.542 441 I N 1.394 121.921 120.570 -0.071 0.000 2.546 441 I HA 0.043 4.216 4.170 0.005 0.000 0.255 441 I C 1.060 177.143 176.117 -0.056 0.000 1.163 441 I CA 0.974 62.244 61.300 -0.050 0.000 1.457 441 I CB -0.334 37.643 38.000 -0.039 0.000 1.092 441 I HN 0.498 nan 8.210 nan 0.000 0.434 442 I N -3.315 117.206 120.570 -0.082 0.000 2.969 442 I HA 0.456 4.629 4.170 0.005 0.000 0.307 442 I C -0.792 175.235 176.117 -0.150 0.000 1.149 442 I CA -1.058 60.192 61.300 -0.083 0.000 1.008 442 I CB 2.036 40.003 38.000 -0.054 0.000 1.232 442 I HN -0.253 nan 8.210 nan 0.000 0.435 443 K N 2.122 122.438 120.400 -0.140 0.000 2.098 443 K HA 0.577 4.900 4.320 0.005 0.000 0.258 443 K C -0.828 175.606 176.600 -0.278 0.000 0.973 443 K CA -0.847 55.309 56.287 -0.217 0.000 0.898 443 K CB 2.358 34.787 32.500 -0.119 0.000 1.057 443 K HN 0.432 nan 8.250 nan 0.000 0.447 444 V N 3.764 123.381 119.914 -0.494 0.000 2.637 444 V HA 0.058 4.180 4.120 0.005 0.000 0.296 444 V C -2.100 173.994 176.094 -0.001 0.000 1.046 444 V CA -1.457 60.499 62.300 -0.574 0.000 1.066 444 V CB 0.562 31.785 31.823 -1.000 0.000 0.968 444 V HN 0.657 nan 8.190 nan 0.000 0.483 445 P HA 0.028 nan 4.420 nan 0.000 0.261 445 P C 0.716 178.271 177.300 0.425 0.000 1.183 445 P CA 0.066 63.355 63.100 0.315 0.000 0.761 445 P CB 0.408 32.335 31.700 0.379 0.000 0.785 446 R N 4.842 125.532 120.500 0.317 0.000 2.134 446 R HA -0.236 4.107 4.340 0.005 0.000 0.248 446 R C 1.753 178.191 176.300 0.230 0.000 1.143 446 R CA 1.989 58.247 56.100 0.264 0.000 0.957 446 R CB -1.494 28.906 30.300 0.168 0.000 0.867 446 R HN 0.424 nan 8.270 nan 0.000 0.441 447 I N -0.051 120.643 120.570 0.207 0.000 2.423 447 I HA -0.251 3.922 4.170 0.005 0.000 0.254 447 I C 1.392 177.616 176.117 0.178 0.000 1.151 447 I CA 1.501 62.914 61.300 0.188 0.000 1.421 447 I CB -0.318 37.684 38.000 0.003 0.000 1.079 447 I HN 0.331 nan 8.210 nan 0.000 0.431 448 Y N -1.524 118.923 120.300 0.246 0.000 2.483 448 Y HA -0.293 4.260 4.550 0.005 0.000 0.291 448 Y C 2.235 178.212 175.900 0.128 0.000 1.143 448 Y CA 1.385 59.630 58.100 0.242 0.000 1.289 448 Y CB -0.405 38.285 38.460 0.382 0.000 0.983 448 Y HN 0.353 nan 8.280 nan 0.000 0.556 449 Y N -0.808 119.398 120.300 -0.156 0.000 2.200 449 Y HA -0.324 4.229 4.550 0.005 0.000 0.290 449 Y C 1.595 177.271 175.900 -0.373 0.000 1.137 449 Y CA 1.554 59.286 58.100 -0.614 0.000 1.163 449 Y CB -0.748 36.856 38.460 -1.427 0.000 0.988 449 Y HN 0.102 nan 8.280 nan 0.000 0.518 450 Y N -1.104 119.219 120.300 0.038 0.000 2.314 450 Y HA -0.145 4.408 4.550 0.005 0.000 0.293 450 Y C 2.483 178.421 175.900 0.063 0.000 1.129 450 Y CA 1.302 59.471 58.100 0.114 0.000 1.201 450 Y CB -0.775 37.805 38.460 0.200 0.000 0.999 450 Y HN -0.015 nan 8.280 nan 0.000 0.541 451 V N -0.122 119.878 119.914 0.143 0.000 2.307 451 V HA -0.327 3.796 4.120 0.005 0.000 0.245 451 V C 2.190 178.269 176.094 -0.025 0.000 1.045 451 V CA 1.966 64.323 62.300 0.094 0.000 1.024 451 V CB -0.599 31.304 31.823 0.133 0.000 0.651 451 V HN 0.409 nan 8.190 nan 0.000 0.449 452 M N -0.609 118.888 119.600 -0.172 0.000 2.117 452 M HA -0.177 4.306 4.480 0.005 0.000 0.262 452 M C 2.445 178.394 176.300 -0.585 0.000 1.065 452 M CA 1.859 56.853 55.300 -0.509 0.000 1.114 452 M CB -0.459 31.535 32.600 -1.011 0.000 1.361 452 M HN 0.166 nan 8.290 nan 0.000 0.408 453 R N -0.659 119.519 120.500 -0.538 0.000 2.093 453 R HA -0.102 4.241 4.340 0.005 0.000 0.224 453 R C 1.278 177.417 176.300 -0.269 0.000 1.101 453 R CA 1.441 57.321 56.100 -0.366 0.000 0.979 453 R CB 0.239 30.062 30.300 -0.796 0.000 0.877 453 R HN 0.341 nan 8.270 nan 0.000 0.441 454 Y N -1.245 119.140 120.300 0.141 0.000 2.678 454 Y HA 0.159 4.712 4.550 0.005 0.000 0.274 454 Y C 1.978 177.965 175.900 0.146 0.000 1.114 454 Y CA -0.368 57.846 58.100 0.190 0.000 1.274 454 Y CB -0.096 38.448 38.460 0.140 0.000 1.438 454 Y HN -0.153 nan 8.280 nan 0.000 0.493 455 I N 0.412 121.132 120.570 0.250 0.000 2.113 455 I HA -0.248 3.925 4.170 0.005 0.000 0.238 455 I C 2.051 178.251 176.117 0.138 0.000 1.070 455 I CA 1.951 63.347 61.300 0.160 0.000 1.332 455 I CB -1.701 36.350 38.000 0.086 0.000 1.044 455 I HN 0.230 nan 8.210 nan 0.000 0.402 456 T N 2.746 117.339 114.554 0.065 0.000 2.635 456 T HA -0.102 4.251 4.350 0.005 0.000 0.267 456 T C -0.297 174.471 174.700 0.113 0.000 1.040 456 T CA 2.112 64.251 62.100 0.065 0.000 1.156 456 T CB -1.602 67.243 68.868 -0.038 0.000 0.863 456 T HN 0.332 nan 8.240 nan 0.000 0.430 457 P HA -0.007 nan 4.420 nan 0.000 0.217 457 P C 1.412 178.771 177.300 0.097 0.000 1.150 457 P CA 1.429 64.501 63.100 -0.045 0.000 0.832 457 P CB -0.155 31.375 31.700 -0.282 0.000 0.787 458 A N -0.587 122.345 122.820 0.187 0.000 1.898 458 A HA -0.152 4.171 4.320 0.005 0.000 0.216 458 A C 2.144 179.840 177.584 0.187 0.000 1.181 458 A CA 1.053 53.207 52.037 0.196 0.000 0.620 458 A CB -1.768 17.358 19.000 0.210 0.000 0.819 458 A HN 0.094 nan 8.150 nan 0.000 0.442 459 F N 0.812 120.796 119.950 0.057 0.000 2.069 459 F HA -0.164 4.366 4.527 0.004 0.000 0.298 459 F C 1.976 177.821 175.800 0.076 0.000 1.113 459 F CA 1.877 59.905 58.000 0.046 0.000 1.214 459 F CB -0.341 38.692 39.000 0.055 0.000 0.978 459 F HN 0.137 nan 8.300 nan 0.000 0.474 460 L N -0.365 120.976 121.223 0.196 0.000 2.093 460 L HA -0.176 4.167 4.340 0.005 0.000 0.208 460 L C 2.774 179.680 176.870 0.060 0.000 1.085 460 L CA 1.057 55.968 54.840 0.118 0.000 0.755 460 L CB -1.354 40.818 42.059 0.189 0.000 0.904 460 L HN 0.243 nan 8.230 nan 0.000 0.435 461 A N 0.091 122.952 122.820 0.067 0.000 1.883 461 A HA -0.170 4.153 4.320 0.005 0.000 0.217 461 A C 2.350 179.968 177.584 0.056 0.000 1.186 461 A CA 2.023 54.104 52.037 0.073 0.000 0.624 461 A CB -0.916 18.139 19.000 0.092 0.000 0.822 461 A HN 0.187 nan 8.150 nan 0.000 0.444 462 V N -0.407 119.514 119.914 0.013 0.000 2.295 462 V HA -0.250 3.873 4.120 0.005 0.000 0.246 462 V C 2.495 178.569 176.094 -0.034 0.000 1.049 462 V CA 1.987 64.274 62.300 -0.022 0.000 1.024 462 V CB -0.877 30.898 31.823 -0.078 0.000 0.648 462 V HN 0.558 nan 8.190 nan 0.000 0.447 463 L N -0.429 120.735 121.223 -0.099 0.000 1.989 463 L HA -0.182 4.160 4.340 0.005 0.000 0.211 463 L C 2.263 179.223 176.870 0.150 0.000 1.071 463 L CA 1.951 56.754 54.840 -0.062 0.000 0.749 463 L CB -0.481 41.501 42.059 -0.128 0.000 0.890 463 L HN 0.202 nan 8.230 nan 0.000 0.431 464 L N -1.798 119.543 121.223 0.197 0.000 2.079 464 L HA -0.233 4.110 4.340 0.005 0.000 0.210 464 L C 2.369 179.384 176.870 0.242 0.000 1.081 464 L CA 0.981 55.986 54.840 0.275 0.000 0.752 464 L CB -0.605 41.565 42.059 0.184 0.000 0.896 464 L HN 0.154 nan 8.230 nan 0.000 0.433 465 V N -0.899 119.113 119.914 0.163 0.000 2.358 465 V HA -0.216 3.907 4.120 0.005 0.000 0.246 465 V C 2.369 178.558 176.094 0.157 0.000 1.047 465 V CA 1.371 63.753 62.300 0.137 0.000 1.035 465 V CB -0.162 31.715 31.823 0.091 0.000 0.658 465 V HN 0.206 nan 8.190 nan 0.000 0.452 466 V N -1.477 118.530 119.914 0.155 0.000 2.515 466 V HA -0.212 3.911 4.120 0.005 0.000 0.250 466 V C 2.125 178.405 176.094 0.310 0.000 1.058 466 V CA 1.624 64.019 62.300 0.159 0.000 1.064 466 V CB -0.620 31.267 31.823 0.108 0.000 0.675 466 V HN 0.673 nan 8.190 nan 0.000 0.461 467 W N 1.007 122.423 121.300 0.192 0.000 2.378 467 W HA -0.127 4.536 4.660 0.006 0.000 0.313 467 W C 2.596 179.250 176.519 0.226 0.000 1.197 467 W CA 1.956 59.466 57.345 0.275 0.000 1.304 467 W CB -0.771 28.777 29.460 0.148 0.000 1.148 467 W HN 0.271 nan 8.180 nan 0.000 0.494 468 A N 0.183 123.238 122.820 0.392 0.000 2.067 468 A HA -0.140 4.183 4.320 0.005 0.000 0.219 468 A C 2.085 179.776 177.584 0.178 0.000 1.158 468 A CA 1.444 53.621 52.037 0.232 0.000 0.661 468 A CB -0.469 18.626 19.000 0.157 0.000 0.801 468 A HN 0.349 nan 8.150 nan 0.000 0.452 469 R N -1.460 119.133 120.500 0.155 0.000 2.128 469 R HA 0.101 4.444 4.340 0.005 0.000 0.211 469 R C 0.928 177.228 176.300 0.000 0.000 1.067 469 R CA 1.055 57.199 56.100 0.073 0.000 1.010 469 R CB 0.067 30.400 30.300 0.054 0.000 0.922 469 R HN 0.369 nan 8.270 nan 0.000 0.457 470 E N -1.262 118.888 120.200 -0.082 0.000 2.548 470 E HA 0.126 4.479 4.350 0.005 0.000 0.206 470 E C -0.421 175.785 176.600 -0.657 0.000 1.005 470 E CA 0.086 56.267 56.400 -0.365 0.000 0.951 470 E CB 0.702 30.091 29.700 -0.519 0.000 1.035 470 E HN 0.247 nan 8.360 nan 0.000 0.470 471 Y N -2.157 118.229 120.300 0.143 0.000 2.856 471 Y HA 0.259 4.811 4.550 0.005 0.000 0.252 471 Y C 1.406 177.377 175.900 0.119 0.000 1.145 471 Y CA -0.397 57.795 58.100 0.153 0.000 1.204 471 Y CB 0.141 38.763 38.460 0.269 0.000 1.403 471 Y HN -0.054 nan 8.280 nan 0.000 0.462 472 I N 1.488 122.251 120.570 0.322 0.000 2.454 472 I HA -0.149 4.024 4.170 0.005 0.000 0.254 472 I C -1.103 175.084 176.117 0.118 0.000 1.156 472 I CA 0.941 62.346 61.300 0.175 0.000 1.433 472 I CB -1.083 37.042 38.000 0.207 0.000 1.082 472 I HN 0.159 nan 8.210 nan 0.000 0.432 473 P HA -0.151 nan 4.420 nan 0.000 0.217 473 P C 1.599 178.939 177.300 0.067 0.000 1.151 473 P CA 1.225 64.379 63.100 0.090 0.000 0.828 473 P CB 0.000 31.741 31.700 0.068 0.000 0.788 474 K N -0.175 120.254 120.400 0.048 0.000 2.148 474 K HA -0.041 4.282 4.320 0.005 0.000 0.204 474 K C 1.856 178.455 176.600 -0.002 0.000 1.050 474 K CA 0.980 57.285 56.287 0.030 0.000 0.942 474 K CB -0.370 32.150 32.500 0.033 0.000 0.724 474 K HN 0.105 nan 8.250 nan 0.000 0.446 475 I N 0.578 121.116 120.570 -0.054 0.000 2.676 475 I HA -0.195 3.978 4.170 0.005 0.000 0.259 475 I C 1.946 178.041 176.117 -0.037 0.000 1.194 475 I CA 0.580 61.791 61.300 -0.148 0.000 1.473 475 I CB 0.026 37.760 38.000 -0.444 0.000 1.096 475 I HN 0.193 nan 8.210 nan 0.000 0.443 476 M N -0.726 118.905 119.600 0.052 0.000 2.510 476 M HA 0.030 4.513 4.480 0.005 0.000 0.256 476 M C 1.615 178.003 176.300 0.147 0.000 1.132 476 M CA 1.147 56.522 55.300 0.125 0.000 1.105 476 M CB -0.284 32.428 32.600 0.187 0.000 1.375 476 M HN 0.188 nan 8.290 nan 0.000 0.477 477 E N -0.235 120.029 120.200 0.106 0.000 2.453 477 E HA 0.035 4.388 4.350 0.005 0.000 0.211 477 E C 0.610 177.266 176.600 0.092 0.000 0.897 477 E CA 0.253 56.720 56.400 0.112 0.000 1.063 477 E CB 0.893 30.647 29.700 0.090 0.000 1.080 477 E HN 0.310 nan 8.360 nan 0.000 0.512 478 E N 1.179 121.418 120.200 0.064 0.000 2.499 478 E HA 0.066 4.419 4.350 0.005 0.000 0.199 478 E C 0.266 176.899 176.600 0.054 0.000 1.016 478 E CA 0.124 56.557 56.400 0.056 0.000 0.933 478 E CB 0.926 30.647 29.700 0.035 0.000 1.050 478 E HN 0.144 nan 8.360 nan 0.000 0.462 479 T N -2.081 112.509 114.554 0.060 0.000 2.943 479 T HA 0.332 4.685 4.350 0.005 0.000 0.284 479 T C 0.137 174.909 174.700 0.119 0.000 1.015 479 T CA -0.794 61.342 62.100 0.060 0.000 1.042 479 T CB 1.772 70.643 68.868 0.005 0.000 1.055 479 T HN 0.038 nan 8.240 nan 0.000 0.500 480 H N 1.230 120.308 119.070 0.014 0.000 2.852 480 H HA 0.082 4.641 4.556 0.005 0.000 0.362 480 H C 1.367 176.733 175.328 0.063 0.000 1.122 480 H CA 0.242 56.297 56.048 0.013 0.000 1.419 480 H CB 0.416 30.111 29.762 -0.111 0.000 1.401 480 H HN 0.826 nan 8.280 nan 0.000 0.609 481 W N 3.177 124.259 121.300 -0.363 0.000 2.364 481 W HA -0.192 4.471 4.660 0.005 0.000 0.281 481 W C 1.135 177.735 176.519 0.135 0.000 1.219 481 W CA 1.281 58.603 57.345 -0.038 0.000 1.220 481 W CB -1.447 27.940 29.460 -0.122 0.000 1.127 481 W HN 0.647 nan 8.180 nan 0.000 0.556 482 T N 0.489 114.651 114.554 -0.653 0.000 3.025 482 T HA -0.191 4.162 4.350 0.005 0.000 0.270 482 T C 1.919 176.582 174.700 -0.061 0.000 1.126 482 T CA 1.815 63.599 62.100 -0.526 0.000 1.105 482 T CB -1.110 67.426 68.868 -0.553 0.000 0.884 482 T HN 0.223 nan 8.240 nan 0.000 0.522 483 V N -2.647 117.263 119.914 -0.005 0.000 2.594 483 V HA -0.043 4.080 4.120 0.005 0.000 0.253 483 V C 2.168 178.255 176.094 -0.012 0.000 1.069 483 V CA 0.778 63.061 62.300 -0.028 0.000 1.082 483 V CB -1.501 30.255 31.823 -0.112 0.000 0.680 483 V HN 0.626 nan 8.190 nan 0.000 0.469 484 W N 0.220 121.623 121.300 0.171 0.000 2.465 484 W HA 0.160 4.823 4.660 0.005 0.000 0.268 484 W C 2.277 178.938 176.519 0.237 0.000 1.242 484 W CA 0.896 58.361 57.345 0.200 0.000 1.248 484 W CB -0.294 29.287 29.460 0.202 0.000 1.118 484 W HN 0.222 nan 8.180 nan 0.000 0.587 485 I N -0.606 120.201 120.570 0.395 0.000 2.202 485 I HA -0.277 3.896 4.170 0.005 0.000 0.242 485 I C 2.263 178.607 176.117 0.379 0.000 1.091 485 I CA 1.412 62.928 61.300 0.360 0.000 1.368 485 I CB -0.953 37.181 38.000 0.222 0.000 1.058 485 I HN -0.160 nan 8.210 nan 0.000 0.410 486 T N 0.475 115.188 114.554 0.265 0.000 2.777 486 T HA -0.115 4.238 4.350 0.005 0.000 0.266 486 T C 2.030 176.905 174.700 0.292 0.000 1.040 486 T CA 1.157 63.414 62.100 0.263 0.000 1.141 486 T CB -0.202 68.776 68.868 0.183 0.000 0.868 486 T HN 0.270 nan 8.240 nan 0.000 0.444 487 R N 0.146 120.774 120.500 0.213 0.000 2.083 487 R HA -0.061 4.282 4.340 0.005 0.000 0.237 487 R C 2.216 178.667 176.300 0.251 0.000 1.137 487 R CA 1.544 57.711 56.100 0.111 0.000 0.951 487 R CB -0.597 29.642 30.300 -0.102 0.000 0.851 487 R HN 0.366 nan 8.270 nan 0.000 0.434 488 F N 0.535 120.637 119.950 0.253 0.000 2.095 488 F HA -0.282 4.248 4.527 0.005 0.000 0.298 488 F C 2.198 178.135 175.800 0.228 0.000 1.104 488 F CA 1.415 59.560 58.000 0.241 0.000 1.232 488 F CB -0.611 38.548 39.000 0.266 0.000 0.987 488 F HN -0.026 nan 8.300 nan 0.000 0.475 489 Y N 1.568 121.942 120.300 0.123 0.000 2.145 489 Y HA -0.208 4.345 4.550 0.005 0.000 0.286 489 Y C 2.312 178.246 175.900 0.057 0.000 1.145 489 Y CA 2.341 60.444 58.100 0.007 0.000 1.148 489 Y CB -0.675 37.875 38.460 0.150 0.000 0.981 489 Y HN 0.294 nan 8.280 nan 0.000 0.507 490 I N -2.388 118.285 120.570 0.172 0.000 2.546 490 I HA -0.135 4.038 4.170 0.005 0.000 0.255 490 I C 1.958 178.265 176.117 0.318 0.000 1.163 490 I CA 1.288 62.753 61.300 0.276 0.000 1.457 490 I CB -0.610 37.655 38.000 0.442 0.000 1.092 490 I HN 0.159 nan 8.210 nan 0.000 0.434 491 I N 2.312 122.923 120.570 0.069 0.000 2.315 491 I HA -0.113 4.060 4.170 0.005 0.000 0.248 491 I C 2.771 178.835 176.117 -0.087 0.000 1.117 491 I CA 1.442 62.705 61.300 -0.062 0.000 1.404 491 I CB -0.699 37.241 38.000 -0.100 0.000 1.071 491 I HN 0.358 nan 8.210 nan 0.000 0.419 492 G N 1.093 109.751 108.800 -0.237 0.000 2.422 492 G HA2 -0.189 3.774 3.960 0.005 0.000 0.218 492 G HA3 -0.189 3.774 3.960 0.005 0.000 0.218 492 G C 1.704 176.534 174.900 -0.117 0.000 1.146 492 G CA 0.432 45.365 45.100 -0.278 0.000 0.769 492 G HN 0.259 nan 8.290 nan 0.000 0.547 493 L N -0.910 120.258 121.223 -0.093 0.000 2.083 493 L HA -0.002 4.341 4.340 0.005 0.000 0.209 493 L C 2.544 179.555 176.870 0.235 0.000 1.083 493 L CA 0.912 55.821 54.840 0.114 0.000 0.752 493 L CB -0.392 41.764 42.059 0.162 0.000 0.899 493 L HN 0.242 nan 8.230 nan 0.000 0.433 494 F N -0.180 119.784 119.950 0.023 0.000 2.146 494 F HA -0.238 4.292 4.527 0.005 0.000 0.298 494 F C 2.271 177.940 175.800 -0.219 0.000 1.096 494 F CA 1.187 59.017 58.000 -0.284 0.000 1.275 494 F CB 0.039 38.584 39.000 -0.759 0.000 1.008 494 F HN -0.114 nan 8.300 nan 0.000 0.480 495 L N -0.331 120.923 121.223 0.053 0.000 2.012 495 L HA -0.246 4.097 4.340 0.005 0.000 0.210 495 L C 2.406 179.276 176.870 -0.000 0.000 1.073 495 L CA 1.893 56.741 54.840 0.014 0.000 0.748 495 L CB -1.727 40.333 42.059 0.001 0.000 0.891 495 L HN 0.311 nan 8.230 nan 0.000 0.431 496 F N 0.242 120.139 119.950 -0.088 0.000 2.134 496 F HA -0.203 4.327 4.527 0.005 0.000 0.299 496 F C 2.284 178.060 175.800 -0.040 0.000 1.097 496 F CA 1.413 59.393 58.000 -0.033 0.000 1.264 496 F CB -0.432 38.542 39.000 -0.044 0.000 1.001 496 F HN -0.008 nan 8.300 nan 0.000 0.479 497 L N -0.390 120.522 121.223 -0.518 0.000 2.093 497 L HA -0.192 4.151 4.340 0.005 0.000 0.208 497 L C 2.327 178.820 176.870 -0.628 0.000 1.085 497 L CA 1.661 56.060 54.840 -0.735 0.000 0.755 497 L CB -1.144 40.566 42.059 -0.581 0.000 0.904 497 L HN 0.140 nan 8.230 nan 0.000 0.435 498 T N -0.335 113.904 114.554 -0.524 0.000 2.821 498 T HA -0.197 4.156 4.350 0.005 0.000 0.267 498 T C 1.602 176.209 174.700 -0.155 0.000 1.046 498 T CA 1.203 63.078 62.100 -0.374 0.000 1.139 498 T CB -0.310 68.384 68.868 -0.289 0.000 0.871 498 T HN 0.200 nan 8.240 nan 0.000 0.454 499 F N 1.819 121.619 119.950 -0.250 0.000 2.171 499 F HA 0.030 4.560 4.527 0.005 0.000 0.300 499 F C 1.852 177.607 175.800 -0.074 0.000 1.090 499 F CA 0.857 58.783 58.000 -0.124 0.000 1.293 499 F CB -0.527 38.418 39.000 -0.093 0.000 1.013 499 F HN 0.065 nan 8.300 nan 0.000 0.486 500 L N -0.910 120.099 121.223 -0.357 0.000 2.093 500 L HA -0.196 4.147 4.340 0.005 0.000 0.208 500 L C 2.344 179.154 176.870 -0.099 0.000 1.085 500 L CA 0.900 55.551 54.840 -0.314 0.000 0.755 500 L CB -0.861 40.991 42.059 -0.345 0.000 0.904 500 L HN -0.000 nan 8.230 nan 0.000 0.435 501 V N -0.394 119.433 119.914 -0.144 0.000 2.427 501 V HA -0.297 3.826 4.120 0.005 0.000 0.248 501 V C 2.216 178.261 176.094 -0.082 0.000 1.051 501 V CA 1.730 64.001 62.300 -0.048 0.000 1.048 501 V CB -0.574 31.140 31.823 -0.181 0.000 0.666 501 V HN 0.364 nan 8.190 nan 0.000 0.456 502 F N 0.435 120.237 119.950 -0.247 0.000 2.134 502 F HA -0.149 4.381 4.527 0.005 0.000 0.299 502 F C 1.996 177.624 175.800 -0.286 0.000 1.097 502 F CA 1.656 59.513 58.000 -0.238 0.000 1.264 502 F CB -0.170 38.702 39.000 -0.213 0.000 1.001 502 F HN 0.032 nan 8.300 nan 0.000 0.479 503 L N -0.028 120.969 121.223 -0.376 0.000 2.093 503 L HA -0.144 4.199 4.340 0.005 0.000 0.208 503 L C 2.815 179.474 176.870 -0.352 0.000 1.085 503 L CA 1.003 55.579 54.840 -0.439 0.000 0.755 503 L CB -1.197 40.602 42.059 -0.434 0.000 0.904 503 L HN 0.269 nan 8.230 nan 0.000 0.435 504 A N -0.044 122.622 122.820 -0.256 0.000 1.933 504 A HA -0.213 4.110 4.320 0.005 0.000 0.218 504 A C 2.160 179.605 177.584 -0.232 0.000 1.175 504 A CA 1.529 53.432 52.037 -0.222 0.000 0.628 504 A CB -0.364 18.547 19.000 -0.149 0.000 0.814 504 A HN 0.432 nan 8.150 nan 0.000 0.444 505 E N -0.640 119.388 120.200 -0.286 0.000 2.051 505 E HA -0.192 4.161 4.350 0.005 0.000 0.192 505 E C 2.309 178.733 176.600 -0.293 0.000 0.991 505 E CA 1.017 57.238 56.400 -0.298 0.000 0.799 505 E CB -0.152 29.326 29.700 -0.369 0.000 0.748 505 E HN 0.321 nan 8.360 nan 0.000 0.449 506 R N 0.609 120.864 120.500 -0.409 0.000 2.096 506 R HA -0.089 4.254 4.340 0.005 0.000 0.235 506 R C 2.243 178.458 176.300 -0.143 0.000 1.127 506 R CA 0.925 56.846 56.100 -0.299 0.000 0.968 506 R CB -0.657 29.398 30.300 -0.409 0.000 0.861 506 R HN 0.196 nan 8.270 nan 0.000 0.440 507 R N 1.004 121.390 120.500 -0.190 0.000 2.092 507 R HA -0.056 4.287 4.340 0.005 0.000 0.231 507 R C 2.245 178.514 176.300 -0.052 0.000 1.119 507 R CA 1.304 57.325 56.100 -0.132 0.000 0.970 507 R CB -0.142 30.055 30.300 -0.172 0.000 0.864 507 R HN 0.085 nan 8.270 nan 0.000 0.440 508 R N 0.437 120.887 120.500 -0.084 0.000 2.092 508 R HA -0.083 4.260 4.340 0.005 0.000 0.231 508 R C 1.554 177.837 176.300 -0.029 0.000 1.119 508 R CA 1.997 58.066 56.100 -0.053 0.000 0.970 508 R CB -0.231 30.029 30.300 -0.066 0.000 0.864 508 R HN 0.448 nan 8.270 nan 0.000 0.440 509 N N -0.782 117.895 118.700 -0.039 0.000 2.171 509 N HA -0.158 4.585 4.740 0.005 0.000 0.184 509 N C 1.816 177.318 175.510 -0.013 0.000 1.021 509 N CA 0.714 53.745 53.050 -0.033 0.000 0.854 509 N CB -0.215 38.239 38.487 -0.054 0.000 0.994 509 N HN 0.303 nan 8.380 nan 0.000 0.426 510 H N 1.174 120.194 119.070 -0.083 0.000 2.290 510 H HA -0.149 4.410 4.556 0.005 0.000 0.298 510 H C 2.065 177.361 175.328 -0.053 0.000 1.087 510 H CA 1.505 57.513 56.048 -0.066 0.000 1.291 510 H CB 0.107 29.824 29.762 -0.075 0.000 1.369 510 H HN 0.381 nan 8.280 nan 0.000 0.492 511 E N 0.184 120.427 120.200 0.072 0.000 2.150 511 E HA -0.116 4.237 4.350 0.005 0.000 0.193 511 E C 2.224 178.822 176.600 -0.004 0.000 0.985 511 E CA 0.889 57.301 56.400 0.021 0.000 0.814 511 E CB 0.129 29.830 29.700 0.001 0.000 0.752 511 E HN 0.190 nan 8.360 nan 0.000 0.466 512 S N 0.107 115.801 115.700 -0.011 0.000 2.371 512 S HA -0.008 4.465 4.470 0.005 0.000 0.224 512 S C 1.830 176.414 174.600 -0.026 0.000 1.029 512 S CA 0.821 59.012 58.200 -0.015 0.000 0.978 512 S CB -0.064 63.129 63.200 -0.012 0.000 0.833 512 S HN 0.461 nan 8.310 nan 0.000 0.466 513 A N 0.463 123.255 122.820 -0.047 0.000 2.264 513 A HA 0.249 4.572 4.320 0.005 0.000 0.207 513 A C 1.673 179.224 177.584 -0.055 0.000 1.196 513 A CA 1.141 53.141 52.037 -0.062 0.000 0.778 513 A CB -0.565 18.371 19.000 -0.107 0.000 0.779 513 A HN 0.513 nan 8.150 nan 0.000 0.483 514 G N -2.703 106.075 108.800 -0.037 0.000 2.833 514 G HA2 0.333 4.296 3.960 0.005 0.000 0.214 514 G HA3 0.333 4.296 3.960 0.005 0.000 0.214 514 G C 1.058 175.948 174.900 -0.018 0.000 1.075 514 G CA 1.020 46.104 45.100 -0.026 0.000 0.799 514 G HN 0.518 nan 8.290 nan 0.000 0.541 515 T N -0.094 114.450 114.554 -0.016 0.000 3.169 515 T HA 0.667 5.020 4.350 0.005 0.000 0.250 515 T C 0.860 175.553 174.700 -0.012 0.000 1.111 515 T CA 0.877 62.970 62.100 -0.012 0.000 1.010 515 T CB -0.534 68.329 68.868 -0.009 0.000 0.984 515 T HN 0.548 nan 8.240 nan 0.000 0.537 516 L N 0.000 121.213 121.223 -0.016 0.000 2.949 516 L HA 0.000 4.343 4.340 0.005 0.000 0.249 516 L CA 0.000 54.831 54.840 -0.015 0.000 0.813 516 L CB 0.000 42.048 42.059 -0.018 0.000 0.961 516 L HN 0.000 nan 8.230 nan 0.000 0.502