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 3f4j_1_A DATA FIRST_RESID 5 DATA SEQUENCE REHWATRLGL ILAMAGNAVG LGNFLRFPVQ AAENGGGAFM IPYIIAFLLV DATA SEQUENCE GIPLMWIEWA MGRYGGAQGH GTTPAIFYLL WRNRFAKILG VFGLWIPLVV DATA SEQUENCE AIYYVYIESW TLGFAIKFLV GLVPEPPPXX TDPDSILRPF KEFLYSYIGV DATA SEQUENCE PKGDEPILKP SLFAYIVFLI TMFINVSILI RGISKGIERF AKIAMPTLFI DATA SEQUENCE LAVFLVIRVF LLETPNGTAA DGLNFLWTPD FEKLKDPGVW IAAVGQIFFT DATA SEQUENCE LSLGFGAIIT YASYVRKDQD IVLSGLTAAT LNEKAEVILG GSISIPAAVA DATA SEQUENCE FFGVANAVAI AKAGAFNLGF ITLPAIFSQT AGGTFLGFLW FFLLFFAGLT DATA SEQUENCE SSIAIMQPMI AFLEDELKLS RKHAVLWTAA IVFFSAHLVM FLNKSLDEMD DATA SEQUENCE FWAGTIGVVF FGLTELIIFF WIFGADKAWE EINRGGIIKV PRIYYYVMRY DATA SEQUENCE ITPAFLAVLL VVWAREYIPK IMEETHWTVW ITRFYIIGLF LFLTFLVFLA DATA SEQUENCE ERRRNHESAG T 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 5 R HA 0.000 nan 4.340 nan 0.000 0.208 5 R C 0.000 176.095 176.300 -0.342 0.000 0.893 5 R CA 0.000 55.981 56.100 -0.198 0.000 0.921 5 R CB 0.000 30.162 30.300 -0.231 0.000 0.687 6 E N 2.001 122.019 120.200 -0.305 0.000 2.418 6 E HA 0.078 4.431 4.350 0.006 0.000 0.261 6 E C -0.720 175.533 176.600 -0.578 0.000 1.070 6 E CA 0.410 56.584 56.400 -0.376 0.000 0.931 6 E CB 0.560 29.981 29.700 -0.465 0.000 0.954 6 E HN 0.405 nan 8.360 nan 0.000 0.439 7 H N -0.370 118.594 119.070 -0.178 0.000 2.895 7 H HA 0.225 4.785 4.556 0.006 0.000 0.373 7 H C -1.089 174.108 175.328 -0.218 0.000 1.174 7 H CA -0.835 55.126 56.048 -0.146 0.000 1.144 7 H CB 0.728 30.485 29.762 -0.008 0.000 1.793 7 H HN 0.430 nan 8.280 nan 0.000 0.551 8 W N 1.328 122.693 121.300 0.109 0.000 2.264 8 W HA 0.256 4.920 4.660 0.006 0.000 0.331 8 W C 1.141 177.683 176.519 0.038 0.000 1.364 8 W CA 0.110 57.467 57.345 0.020 0.000 1.253 8 W CB 0.402 29.875 29.460 0.022 0.000 1.215 8 W HN 0.795 nan 8.180 nan 0.000 0.561 9 A N 2.519 125.473 122.820 0.224 0.000 1.855 9 A HA -0.038 4.286 4.320 0.006 0.000 0.215 9 A C 1.154 178.814 177.584 0.126 0.000 1.191 9 A CA 1.804 53.920 52.037 0.131 0.000 0.613 9 A CB -0.919 18.130 19.000 0.082 0.000 0.829 9 A HN 0.574 nan 8.150 nan 0.000 0.442 10 T N -4.654 109.978 114.554 0.131 0.000 2.942 10 T HA 0.527 4.881 4.350 0.006 0.000 0.289 10 T C 0.545 175.295 174.700 0.084 0.000 1.044 10 T CA -0.257 61.896 62.100 0.088 0.000 1.023 10 T CB 1.944 70.846 68.868 0.055 0.000 1.123 10 T HN 0.306 nan 8.240 nan 0.000 0.512 11 R N -0.284 120.249 120.500 0.054 0.000 2.115 11 R HA 0.002 4.345 4.340 0.006 0.000 0.230 11 R C 2.039 178.339 176.300 -0.001 0.000 1.111 11 R CA 0.928 57.049 56.100 0.035 0.000 0.976 11 R CB -0.468 29.850 30.300 0.030 0.000 0.870 11 R HN 0.618 nan 8.270 nan 0.000 0.445 12 L N 0.356 121.579 121.223 -0.001 0.000 2.017 12 L HA 0.034 4.378 4.340 0.006 0.000 0.208 12 L C 2.171 179.016 176.870 -0.041 0.000 1.073 12 L CA 2.383 57.210 54.840 -0.020 0.000 0.745 12 L CB -1.064 40.988 42.059 -0.011 0.000 0.894 12 L HN 0.253 nan 8.230 nan 0.000 0.432 13 G N -0.284 108.505 108.800 -0.020 0.000 2.440 13 G HA2 -0.307 3.657 3.960 0.006 0.000 0.218 13 G HA3 -0.307 3.657 3.960 0.006 0.000 0.218 13 G C 1.588 176.380 174.900 -0.180 0.000 1.154 13 G CA 1.057 46.141 45.100 -0.028 0.000 0.767 13 G HN 0.444 nan 8.290 nan 0.000 0.552 14 L N 0.880 121.956 121.223 -0.245 0.000 1.989 14 L HA -0.068 4.275 4.340 0.006 0.000 0.211 14 L C 2.605 179.236 176.870 -0.399 0.000 1.071 14 L CA 1.535 55.997 54.840 -0.630 0.000 0.749 14 L CB -0.465 41.365 42.059 -0.381 0.000 0.890 14 L HN 0.136 nan 8.230 nan 0.000 0.431 15 I N -0.406 120.076 120.570 -0.145 0.000 2.127 15 I HA -0.309 3.865 4.170 0.006 0.000 0.241 15 I C 2.650 178.725 176.117 -0.070 0.000 1.075 15 I CA 1.592 62.864 61.300 -0.046 0.000 1.334 15 I CB -1.260 36.721 38.000 -0.031 0.000 1.040 15 I HN 0.340 nan 8.210 nan 0.000 0.405 16 L N 0.500 121.667 121.223 -0.093 0.000 2.131 16 L HA -0.161 4.183 4.340 0.006 0.000 0.210 16 L C 2.785 179.611 176.870 -0.073 0.000 1.092 16 L CA 1.146 55.941 54.840 -0.075 0.000 0.759 16 L CB -0.651 41.367 42.059 -0.069 0.000 0.903 16 L HN 0.204 nan 8.230 nan 0.000 0.435 17 A N -0.372 122.361 122.820 -0.146 0.000 1.872 17 A HA -0.172 4.152 4.320 0.006 0.000 0.214 17 A C 2.313 179.928 177.584 0.051 0.000 1.187 17 A CA 1.225 53.204 52.037 -0.097 0.000 0.614 17 A CB -0.306 18.436 19.000 -0.431 0.000 0.826 17 A HN 0.223 nan 8.150 nan 0.000 0.442 18 M N -0.376 119.195 119.600 -0.050 0.000 2.175 18 M HA -0.097 4.387 4.480 0.006 0.000 0.264 18 M C 2.487 178.802 176.300 0.024 0.000 1.063 18 M CA 1.513 56.837 55.300 0.041 0.000 1.119 18 M CB -1.262 31.405 32.600 0.112 0.000 1.377 18 M HN 0.504 nan 8.290 nan 0.000 0.415 19 A N 0.117 122.944 122.820 0.012 0.000 1.898 19 A HA 0.003 4.327 4.320 0.006 0.000 0.216 19 A C 2.389 179.968 177.584 -0.008 0.000 1.181 19 A CA 1.878 53.914 52.037 -0.002 0.000 0.620 19 A CB -1.331 17.660 19.000 -0.016 0.000 0.819 19 A HN 0.508 nan 8.150 nan 0.000 0.442 20 G N 0.156 108.957 108.800 0.002 0.000 2.408 20 G HA2 -0.286 3.677 3.960 0.006 0.000 0.217 20 G HA3 -0.286 3.677 3.960 0.006 0.000 0.217 20 G C 1.526 176.416 174.900 -0.017 0.000 1.150 20 G CA 1.187 46.293 45.100 0.011 0.000 0.776 20 G HN 0.571 nan 8.290 nan 0.000 0.542 21 N N 1.762 120.434 118.700 -0.046 0.000 2.069 21 N HA -0.095 4.648 4.740 0.006 0.000 0.191 21 N C 2.373 177.749 175.510 -0.223 0.000 1.031 21 N CA 1.933 54.859 53.050 -0.208 0.000 0.852 21 N CB -0.541 37.701 38.487 -0.408 0.000 1.018 21 N HN 0.248 nan 8.380 nan 0.000 0.423 22 A N 0.716 123.443 122.820 -0.155 0.000 1.854 22 A HA 0.111 4.435 4.320 0.006 0.000 0.214 22 A C 0.959 178.496 177.584 -0.079 0.000 1.192 22 A CA 0.618 52.568 52.037 -0.145 0.000 0.611 22 A CB -0.590 18.357 19.000 -0.088 0.000 0.832 22 A HN 0.088 nan 8.150 nan 0.000 0.442 23 V N 0.734 120.633 119.914 -0.026 0.000 2.415 23 V HA 0.527 4.650 4.120 0.006 0.000 0.267 23 V C 0.789 176.943 176.094 0.100 0.000 1.042 23 V CA 0.427 62.744 62.300 0.027 0.000 1.000 23 V CB -0.049 31.811 31.823 0.062 0.000 1.015 23 V HN 0.639 nan 8.190 nan 0.000 0.478 24 G N 2.954 111.844 108.800 0.150 0.000 2.871 24 G HA2 0.413 4.377 3.960 0.006 0.000 0.282 24 G HA3 0.413 4.377 3.960 0.006 0.000 0.282 24 G C 0.339 175.437 174.900 0.329 0.000 1.212 24 G CA -0.771 44.480 45.100 0.253 0.000 0.812 24 G HN 0.464 nan 8.290 nan 0.000 0.547 25 L N 1.020 122.449 121.223 0.344 0.000 2.187 25 L HA -0.007 4.337 4.340 0.006 0.000 0.213 25 L C 3.012 180.066 176.870 0.306 0.000 1.100 25 L CA 1.396 56.395 54.840 0.265 0.000 0.765 25 L CB -0.635 41.482 42.059 0.097 0.000 0.904 25 L HN 0.634 nan 8.230 nan 0.000 0.437 26 G N 0.576 109.630 108.800 0.423 0.000 2.442 26 G HA2 -0.293 3.671 3.960 0.006 0.000 0.219 26 G HA3 -0.293 3.671 3.960 0.006 0.000 0.219 26 G C 1.291 176.313 174.900 0.204 0.000 1.141 26 G CA 1.257 46.594 45.100 0.395 0.000 0.763 26 G HN 0.453 nan 8.290 nan 0.000 0.554 27 N N 0.036 118.756 118.700 0.034 0.000 2.216 27 N HA 0.025 4.769 4.740 0.006 0.000 0.183 27 N C 1.492 176.811 175.510 -0.317 0.000 1.017 27 N CA 1.049 53.922 53.050 -0.295 0.000 0.861 27 N CB -0.236 37.809 38.487 -0.736 0.000 0.986 27 N HN 0.412 nan 8.380 nan 0.000 0.428 28 F N -0.645 119.392 119.950 0.145 0.000 2.678 28 F HA 0.372 4.902 4.527 0.006 0.000 0.291 28 F C 1.587 177.515 175.800 0.213 0.000 1.123 28 F CA 0.091 58.198 58.000 0.178 0.000 1.395 28 F CB 0.188 39.213 39.000 0.042 0.000 1.121 28 F HN -0.073 nan 8.300 nan 0.000 0.592 29 L N -1.200 120.194 121.223 0.285 0.000 2.541 29 L HA 0.192 4.535 4.340 0.006 0.000 0.187 29 L C 2.457 179.390 176.870 0.105 0.000 1.098 29 L CA 0.313 55.281 54.840 0.212 0.000 0.846 29 L CB -0.326 41.862 42.059 0.215 0.000 1.151 29 L HN -0.147 nan 8.230 nan 0.000 0.492 30 R N 0.096 120.645 120.500 0.081 0.000 2.062 30 R HA -0.172 4.171 4.340 0.006 0.000 0.231 30 R C 2.402 178.689 176.300 -0.021 0.000 1.136 30 R CA 1.736 57.824 56.100 -0.020 0.000 0.948 30 R CB -0.338 29.913 30.300 -0.081 0.000 0.845 30 R HN 0.134 nan 8.270 nan 0.000 0.430 31 F N 2.043 121.949 119.950 -0.073 0.000 2.091 31 F HA -0.108 4.422 4.527 0.006 0.000 0.299 31 F C -1.193 174.473 175.800 -0.223 0.000 1.103 31 F CA 1.399 59.316 58.000 -0.137 0.000 1.228 31 F CB -0.998 37.931 39.000 -0.118 0.000 0.984 31 F HN 0.069 nan 8.300 nan 0.000 0.477 32 P HA -0.177 nan 4.420 nan 0.000 0.215 32 P C 2.121 179.207 177.300 -0.357 0.000 1.157 32 P CA 2.032 64.968 63.100 -0.273 0.000 0.868 32 P CB -0.125 31.559 31.700 -0.027 0.000 0.788 33 V N -0.213 119.543 119.914 -0.264 0.000 2.295 33 V HA -0.255 3.868 4.120 0.006 0.000 0.246 33 V C 2.601 178.461 176.094 -0.390 0.000 1.049 33 V CA 1.745 63.887 62.300 -0.264 0.000 1.024 33 V CB -1.186 30.519 31.823 -0.197 0.000 0.648 33 V HN 0.122 nan 8.190 nan 0.000 0.447 34 Q N 0.071 119.571 119.800 -0.501 0.000 2.030 34 Q HA -0.181 4.163 4.340 0.006 0.000 0.204 34 Q C 2.464 177.763 176.000 -1.168 0.000 0.986 34 Q CA 2.157 57.538 55.803 -0.703 0.000 0.843 34 Q CB -0.860 27.499 28.738 -0.632 0.000 0.904 34 Q HN 0.642 nan 8.270 nan 0.000 0.420 35 A N 0.964 122.928 122.820 -1.427 0.000 1.902 35 A HA -0.082 4.242 4.320 0.006 0.000 0.217 35 A C 2.322 179.496 177.584 -0.684 0.000 1.181 35 A CA 2.008 53.226 52.037 -1.365 0.000 0.623 35 A CB -0.658 17.560 19.000 -1.304 0.000 0.818 35 A HN 0.374 nan 8.150 nan 0.000 0.443 36 A N -0.255 122.296 122.820 -0.448 0.000 1.898 36 A HA -0.141 4.182 4.320 0.006 0.000 0.216 36 A C 1.902 179.420 177.584 -0.110 0.000 1.181 36 A CA 1.548 53.514 52.037 -0.118 0.000 0.620 36 A CB -0.510 18.427 19.000 -0.104 0.000 0.819 36 A HN 0.616 nan 8.150 nan 0.000 0.442 37 E N 0.034 120.101 120.200 -0.222 0.000 2.204 37 E HA -0.108 4.246 4.350 0.006 0.000 0.195 37 E C 0.395 176.912 176.600 -0.139 0.000 0.990 37 E CA 0.907 57.206 56.400 -0.167 0.000 0.821 37 E CB -0.076 29.508 29.700 -0.193 0.000 0.750 37 E HN 0.525 nan 8.360 nan 0.000 0.477 38 N N -0.499 118.077 118.700 -0.206 0.000 2.321 38 N HA 0.082 4.826 4.740 0.006 0.000 0.242 38 N C 0.384 175.842 175.510 -0.088 0.000 1.141 38 N CA 0.635 53.615 53.050 -0.117 0.000 0.864 38 N CB 1.601 40.059 38.487 -0.049 0.000 1.100 38 N HN 0.212 nan 8.380 nan 0.000 0.510 39 G N 0.243 108.996 108.800 -0.078 0.000 2.141 39 G HA2 -0.256 3.707 3.960 0.006 0.000 0.242 39 G HA3 -0.256 3.707 3.960 0.006 0.000 0.242 39 G C 0.901 175.574 174.900 -0.379 0.000 0.982 39 G CA 0.369 45.426 45.100 -0.072 0.000 0.662 39 G HN 0.675 nan 8.290 nan 0.000 0.527 40 G N -0.218 108.243 108.800 -0.565 0.000 2.815 40 G HA2 -0.058 3.906 3.960 0.006 0.000 0.326 40 G HA3 -0.058 3.906 3.960 0.006 0.000 0.326 40 G C 2.174 176.695 174.900 -0.632 0.000 1.191 40 G CA 2.025 46.536 45.100 -0.981 0.000 0.965 40 G HN 1.945 nan 8.290 nan 0.000 0.564 41 G N 0.643 109.058 108.800 -0.641 0.000 2.450 41 G HA2 0.199 4.162 3.960 0.006 0.000 0.220 41 G HA3 0.199 4.162 3.960 0.006 0.000 0.220 41 G C 2.120 176.831 174.900 -0.316 0.000 1.130 41 G CA 2.969 47.825 45.100 -0.407 0.000 0.760 41 G HN 1.829 nan 8.290 nan 0.000 0.557 42 A N 0.288 122.937 122.820 -0.285 0.000 1.972 42 A HA 0.054 4.378 4.320 0.006 0.000 0.219 42 A C 2.115 179.571 177.584 -0.214 0.000 1.169 42 A CA 1.498 53.398 52.037 -0.228 0.000 0.635 42 A CB -0.471 18.435 19.000 -0.157 0.000 0.810 42 A HN 0.444 nan 8.150 nan 0.000 0.446 43 F N -0.179 119.562 119.950 -0.348 0.000 2.259 43 F HA -0.093 4.437 4.527 0.005 0.000 0.298 43 F C 2.088 177.728 175.800 -0.267 0.000 1.088 43 F CA 1.408 59.212 58.000 -0.326 0.000 1.358 43 F CB -0.095 38.682 39.000 -0.372 0.000 1.040 43 F HN 0.074 nan 8.300 nan 0.000 0.505 44 M N 0.049 119.482 119.600 -0.279 0.000 2.175 44 M HA -0.159 4.324 4.480 0.006 0.000 0.264 44 M C 2.244 178.444 176.300 -0.166 0.000 1.063 44 M CA 1.059 56.217 55.300 -0.236 0.000 1.119 44 M CB -1.115 31.351 32.600 -0.224 0.000 1.377 44 M HN 0.149 nan 8.290 nan 0.000 0.415 45 I N 0.592 121.033 120.570 -0.215 0.000 2.099 45 I HA -0.208 3.965 4.170 0.006 0.000 0.239 45 I C -0.354 175.623 176.117 -0.232 0.000 1.066 45 I CA 1.851 63.060 61.300 -0.152 0.000 1.324 45 I CB -2.870 35.047 38.000 -0.138 0.000 1.037 45 I HN 0.117 nan 8.210 nan 0.000 0.401 46 P HA -0.202 nan 4.420 nan 0.000 0.216 46 P C 1.914 179.011 177.300 -0.339 0.000 1.150 46 P CA 1.390 63.996 63.100 -0.822 0.000 0.837 46 P CB -0.251 30.600 31.700 -1.416 0.000 0.786 47 Y N 0.412 120.381 120.300 -0.551 0.000 2.145 47 Y HA -0.201 4.353 4.550 0.006 0.000 0.286 47 Y C 2.109 177.952 175.900 -0.094 0.000 1.145 47 Y CA 1.544 59.407 58.100 -0.396 0.000 1.148 47 Y CB -0.908 37.205 38.460 -0.579 0.000 0.981 47 Y HN -0.195 nan 8.280 nan 0.000 0.507 48 I N -0.152 120.452 120.570 0.057 0.000 2.226 48 I HA -0.340 3.834 4.170 0.006 0.000 0.245 48 I C 2.308 178.471 176.117 0.076 0.000 1.100 48 I CA 1.585 62.942 61.300 0.096 0.000 1.374 48 I CB -0.420 37.671 38.000 0.151 0.000 1.057 48 I HN 0.267 nan 8.210 nan 0.000 0.413 49 I N 0.755 121.364 120.570 0.065 0.000 2.286 49 I HA -0.273 3.901 4.170 0.006 0.000 0.248 49 I C 2.809 178.926 176.117 -0.001 0.000 1.115 49 I CA 1.230 62.584 61.300 0.090 0.000 1.392 49 I CB -0.472 37.676 38.000 0.247 0.000 1.065 49 I HN 0.193 nan 8.210 nan 0.000 0.418 50 A N 0.789 123.619 122.820 0.017 0.000 1.902 50 A HA -0.271 4.053 4.320 0.006 0.000 0.217 50 A C 2.215 179.727 177.584 -0.120 0.000 1.181 50 A CA 1.453 53.465 52.037 -0.041 0.000 0.623 50 A CB -0.962 18.077 19.000 0.066 0.000 0.818 50 A HN 0.460 nan 8.150 nan 0.000 0.443 51 F N 0.522 120.301 119.950 -0.284 0.000 2.171 51 F HA -0.104 4.427 4.527 0.006 0.000 0.300 51 F C 1.754 177.438 175.800 -0.194 0.000 1.090 51 F CA 1.565 59.394 58.000 -0.285 0.000 1.293 51 F CB -0.182 38.631 39.000 -0.312 0.000 1.013 51 F HN 0.139 nan 8.300 nan 0.000 0.486 52 L N -0.710 120.382 121.223 -0.219 0.000 2.209 52 L HA -0.082 4.262 4.340 0.006 0.000 0.207 52 L C 2.046 178.840 176.870 -0.126 0.000 1.094 52 L CA 0.690 55.411 54.840 -0.198 0.000 0.790 52 L CB -0.394 41.646 42.059 -0.031 0.000 0.932 52 L HN 0.160 nan 8.230 nan 0.000 0.447 53 L N -1.791 119.303 121.223 -0.214 0.000 2.513 53 L HA 0.073 4.417 4.340 0.006 0.000 0.222 53 L C 1.615 178.325 176.870 -0.267 0.000 1.096 53 L CA -0.011 54.677 54.840 -0.253 0.000 0.857 53 L CB 0.478 42.240 42.059 -0.494 0.000 1.026 53 L HN 0.029 nan 8.230 nan 0.000 0.469 54 V N -1.464 118.274 119.914 -0.293 0.000 3.161 54 V HA 0.217 4.341 4.120 0.006 0.000 0.221 54 V C 2.292 178.175 176.094 -0.351 0.000 1.296 54 V CA 0.898 63.044 62.300 -0.255 0.000 1.306 54 V CB -0.407 31.322 31.823 -0.157 0.000 1.171 54 V HN 0.272 nan 8.190 nan 0.000 0.513 55 G N 1.402 109.974 108.800 -0.380 0.000 2.545 55 G HA2 -0.232 3.732 3.960 0.006 0.000 0.217 55 G HA3 -0.232 3.732 3.960 0.006 0.000 0.217 55 G C 1.457 176.021 174.900 -0.560 0.000 1.218 55 G CA 1.518 46.376 45.100 -0.404 0.000 0.787 55 G HN 0.296 nan 8.290 nan 0.000 0.571 56 I N 2.445 122.499 120.570 -0.860 0.000 2.142 56 I HA -0.094 4.079 4.170 0.006 0.000 0.240 56 I C 0.321 175.889 176.117 -0.916 0.000 1.078 56 I CA 1.363 62.026 61.300 -1.062 0.000 1.343 56 I CB -2.040 35.219 38.000 -1.234 0.000 1.046 56 I HN 0.183 nan 8.210 nan 0.000 0.405 57 P HA -0.166 nan 4.420 nan 0.000 0.215 57 P C 2.310 179.522 177.300 -0.146 0.000 1.157 57 P CA 1.584 64.532 63.100 -0.252 0.000 0.868 57 P CB -0.075 31.564 31.700 -0.101 0.000 0.788 58 L N -1.893 119.212 121.223 -0.197 0.000 2.141 58 L HA -0.144 4.200 4.340 0.006 0.000 0.209 58 L C 2.835 179.665 176.870 -0.066 0.000 1.094 58 L CA 1.153 55.923 54.840 -0.116 0.000 0.763 58 L CB -0.710 41.246 42.059 -0.172 0.000 0.908 58 L HN -0.027 nan 8.230 nan 0.000 0.437 59 M N -0.579 118.918 119.600 -0.172 0.000 2.065 59 M HA -0.255 4.228 4.480 0.006 0.000 0.259 59 M C 1.975 178.341 176.300 0.110 0.000 1.069 59 M CA 2.039 57.297 55.300 -0.070 0.000 1.110 59 M CB -0.536 31.888 32.600 -0.294 0.000 1.328 59 M HN 0.153 nan 8.290 nan 0.000 0.405 60 W N 0.365 121.618 121.300 -0.079 0.000 2.338 60 W HA -0.135 4.528 4.660 0.006 0.000 0.304 60 W C 2.351 178.911 176.519 0.069 0.000 1.212 60 W CA 1.268 58.571 57.345 -0.069 0.000 1.264 60 W CB -1.249 28.115 29.460 -0.161 0.000 1.142 60 W HN 0.286 nan 8.180 nan 0.000 0.512 61 I N 0.149 120.892 120.570 0.288 0.000 2.226 61 I HA -0.296 3.878 4.170 0.006 0.000 0.245 61 I C 2.243 178.365 176.117 0.008 0.000 1.100 61 I CA 1.520 62.939 61.300 0.199 0.000 1.374 61 I CB -0.487 37.633 38.000 0.201 0.000 1.057 61 I HN -0.015 nan 8.210 nan 0.000 0.413 62 E N -0.255 120.001 120.200 0.093 0.000 2.107 62 E HA -0.215 4.138 4.350 0.006 0.000 0.191 62 E C 2.051 178.713 176.600 0.103 0.000 0.982 62 E CA 1.183 57.620 56.400 0.063 0.000 0.809 62 E CB -0.154 29.600 29.700 0.089 0.000 0.756 62 E HN 0.473 nan 8.360 nan 0.000 0.459 63 W N 1.255 122.568 121.300 0.022 0.000 2.335 63 W HA -0.191 4.472 4.660 0.006 0.000 0.311 63 W C 2.606 179.146 176.519 0.036 0.000 1.213 63 W CA 1.550 58.930 57.345 0.059 0.000 1.274 63 W CB -0.639 28.884 29.460 0.106 0.000 1.148 63 W HN 0.084 nan 8.180 nan 0.000 0.498 64 A N -0.371 122.592 122.820 0.237 0.000 1.877 64 A HA -0.222 4.101 4.320 0.006 0.000 0.216 64 A C 1.957 179.514 177.584 -0.046 0.000 1.186 64 A CA 2.108 54.214 52.037 0.115 0.000 0.620 64 A CB -0.919 18.168 19.000 0.144 0.000 0.822 64 A HN 0.263 nan 8.150 nan 0.000 0.443 65 M N -0.488 118.926 119.600 -0.310 0.000 2.108 65 M HA -0.115 4.368 4.480 0.006 0.000 0.261 65 M C 2.312 178.600 176.300 -0.020 0.000 1.066 65 M CA 1.496 56.608 55.300 -0.313 0.000 1.107 65 M CB -0.697 31.672 32.600 -0.384 0.000 1.356 65 M HN 0.513 nan 8.290 nan 0.000 0.406 66 G N 0.092 108.888 108.800 -0.007 0.000 2.433 66 G HA2 -0.236 3.727 3.960 0.006 0.000 0.216 66 G HA3 -0.236 3.727 3.960 0.006 0.000 0.216 66 G C 1.580 176.498 174.900 0.031 0.000 1.186 66 G CA 0.947 46.048 45.100 0.001 0.000 0.779 66 G HN 0.392 nan 8.290 nan 0.000 0.543 67 R N -0.951 119.602 120.500 0.088 0.000 2.091 67 R HA -0.156 4.188 4.340 0.006 0.000 0.238 67 R C 2.268 178.642 176.300 0.123 0.000 1.136 67 R CA 1.592 57.764 56.100 0.120 0.000 0.959 67 R CB -0.575 29.833 30.300 0.180 0.000 0.856 67 R HN 0.434 nan 8.270 nan 0.000 0.437 68 Y N 0.320 120.637 120.300 0.028 0.000 2.097 68 Y HA -0.168 4.386 4.550 0.006 0.000 0.282 68 Y C 2.161 178.077 175.900 0.027 0.000 1.152 68 Y CA 2.153 60.271 58.100 0.030 0.000 1.136 68 Y CB -0.796 37.664 38.460 0.000 0.000 0.975 68 Y HN 0.183 nan 8.280 nan 0.000 0.498 69 G N -0.864 108.005 108.800 0.116 0.000 2.418 69 G HA2 -0.225 3.738 3.960 0.006 0.000 0.217 69 G HA3 -0.225 3.738 3.960 0.006 0.000 0.217 69 G C 1.903 176.794 174.900 -0.015 0.000 1.158 69 G CA 0.716 45.850 45.100 0.058 0.000 0.771 69 G HN 0.631 nan 8.290 nan 0.000 0.545 70 G N 1.187 109.955 108.800 -0.053 0.000 2.442 70 G HA2 -0.003 3.961 3.960 0.006 0.000 0.219 70 G HA3 -0.003 3.961 3.960 0.006 0.000 0.219 70 G C 2.013 176.867 174.900 -0.076 0.000 1.141 70 G CA 1.488 46.519 45.100 -0.115 0.000 0.763 70 G HN 0.673 nan 8.290 nan 0.000 0.554 71 A N -0.010 122.776 122.820 -0.057 0.000 2.076 71 A HA -0.043 4.280 4.320 0.006 0.000 0.220 71 A C 2.148 179.686 177.584 -0.077 0.000 1.160 71 A CA 1.625 53.631 52.037 -0.052 0.000 0.653 71 A CB -0.171 18.781 19.000 -0.079 0.000 0.801 71 A HN 0.505 nan 8.150 nan 0.000 0.455 72 Q N -1.808 117.937 119.800 -0.092 0.000 2.198 72 Q HA 0.329 4.673 4.340 0.006 0.000 0.209 72 Q C 0.754 176.689 176.000 -0.108 0.000 0.848 72 Q CA 0.220 55.994 55.803 -0.048 0.000 0.974 72 Q CB 0.528 29.274 28.738 0.013 0.000 1.115 72 Q HN 0.822 nan 8.270 nan 0.000 0.494 73 G N 1.684 110.375 108.800 -0.183 0.000 2.137 73 G HA2 -0.203 3.761 3.960 0.006 0.000 0.237 73 G HA3 -0.203 3.761 3.960 0.006 0.000 0.237 73 G C -0.390 174.178 174.900 -0.552 0.000 1.002 73 G CA -0.240 44.656 45.100 -0.340 0.000 0.702 73 G HN 0.428 nan 8.290 nan 0.000 0.515 74 H N -1.024 117.988 119.070 -0.096 0.000 2.609 74 H HA 0.541 5.100 4.556 0.006 0.000 0.344 74 H C 0.932 176.199 175.328 -0.101 0.000 1.040 74 H CA 0.007 56.010 56.048 -0.075 0.000 1.216 74 H CB 1.643 31.393 29.762 -0.020 0.000 1.529 74 H HN 0.249 nan 8.280 nan 0.000 0.519 75 G N 2.005 110.799 108.800 -0.010 0.000 2.939 75 G HA2 -0.003 3.961 3.960 0.006 0.000 0.216 75 G HA3 -0.003 3.961 3.960 0.006 0.000 0.216 75 G C 0.485 175.384 174.900 -0.001 0.000 1.125 75 G CA 0.200 45.242 45.100 -0.096 0.000 0.766 75 G HN 0.575 nan 8.290 nan 0.000 0.541 76 T N -2.911 111.683 114.554 0.067 0.000 2.942 76 T HA 0.447 4.800 4.350 0.006 0.000 0.289 76 T C 1.510 176.216 174.700 0.010 0.000 1.044 76 T CA 0.417 62.550 62.100 0.054 0.000 1.023 76 T CB 1.552 70.481 68.868 0.102 0.000 1.123 76 T HN 0.018 nan 8.240 nan 0.000 0.512 77 T N -2.066 112.429 114.554 -0.099 0.000 2.915 77 T HA 0.058 4.412 4.350 0.006 0.000 0.269 77 T C -1.063 173.446 174.700 -0.318 0.000 1.071 77 T CA 0.656 62.553 62.100 -0.338 0.000 1.132 77 T CB -1.713 66.737 68.868 -0.697 0.000 0.878 77 T HN 0.430 nan 8.240 nan 0.000 0.479 78 P HA 0.017 nan 4.420 nan 0.000 0.215 78 P C 1.768 179.072 177.300 0.007 0.000 1.153 78 P CA 1.643 64.688 63.100 -0.092 0.000 0.853 78 P CB -0.324 31.323 31.700 -0.090 0.000 0.788 79 A N -1.101 121.727 122.820 0.013 0.000 1.903 79 A HA -0.063 4.261 4.320 0.006 0.000 0.213 79 A C 2.213 179.824 177.584 0.045 0.000 1.185 79 A CA 0.967 52.971 52.037 -0.054 0.000 0.628 79 A CB -1.423 17.412 19.000 -0.274 0.000 0.830 79 A HN 0.057 nan 8.150 nan 0.000 0.446 80 I N -1.192 119.437 120.570 0.097 0.000 2.226 80 I HA -0.231 3.942 4.170 0.006 0.000 0.245 80 I C 2.140 178.475 176.117 0.363 0.000 1.100 80 I CA 1.199 62.620 61.300 0.203 0.000 1.374 80 I CB -0.410 37.704 38.000 0.190 0.000 1.057 80 I HN 0.227 nan 8.210 nan 0.000 0.413 81 F N 0.088 120.114 119.950 0.127 0.000 2.202 81 F HA -0.253 4.278 4.527 0.006 0.000 0.301 81 F C 2.442 178.378 175.800 0.228 0.000 1.082 81 F CA 1.120 59.222 58.000 0.170 0.000 1.313 81 F CB -1.236 37.873 39.000 0.181 0.000 1.024 81 F HN 0.108 nan 8.300 nan 0.000 0.495 82 Y N 0.074 120.519 120.300 0.241 0.000 2.314 82 Y HA -0.064 4.490 4.550 0.006 0.000 0.293 82 Y C 2.076 178.058 175.900 0.137 0.000 1.129 82 Y CA 1.047 59.219 58.100 0.119 0.000 1.201 82 Y CB -0.386 38.087 38.460 0.022 0.000 0.999 82 Y HN -0.033 nan 8.280 nan 0.000 0.541 83 L N -0.738 120.582 121.223 0.160 0.000 2.141 83 L HA -0.201 4.142 4.340 0.006 0.000 0.209 83 L C 1.972 178.950 176.870 0.179 0.000 1.094 83 L CA 1.074 55.999 54.840 0.143 0.000 0.763 83 L CB -0.424 41.782 42.059 0.245 0.000 0.908 83 L HN 0.243 nan 8.230 nan 0.000 0.437 84 L N -2.356 118.961 121.223 0.157 0.000 2.446 84 L HA -0.013 4.330 4.340 0.006 0.000 0.219 84 L C 0.191 177.278 176.870 0.361 0.000 1.116 84 L CA 0.066 54.977 54.840 0.119 0.000 0.844 84 L CB 0.101 42.116 42.059 -0.073 0.000 0.970 84 L HN 0.292 nan 8.230 nan 0.000 0.457 85 W N 1.009 122.341 121.300 0.055 0.000 2.822 85 W HA 0.304 4.968 4.660 0.006 0.000 0.317 85 W C -0.499 175.993 176.519 -0.045 0.000 1.033 85 W CA -1.334 56.039 57.345 0.047 0.000 1.252 85 W CB 0.674 30.179 29.460 0.075 0.000 1.186 85 W HN -0.234 nan 8.180 nan 0.000 0.383 86 R N 4.666 125.124 120.500 -0.070 0.000 3.641 86 R HA 0.106 4.450 4.340 0.006 0.000 0.189 86 R C -0.254 175.880 176.300 -0.277 0.000 1.706 86 R CA 0.153 55.983 56.100 -0.450 0.000 1.311 86 R CB -0.714 29.421 30.300 -0.275 0.000 1.330 86 R HN 0.386 nan 8.270 nan 0.000 0.727 87 N N 0.445 118.943 118.700 -0.337 0.000 2.287 87 N HA 0.110 4.853 4.740 0.006 0.000 0.289 87 N C 0.573 176.036 175.510 -0.078 0.000 1.066 87 N CA -0.460 52.385 53.050 -0.341 0.000 0.841 87 N CB 1.766 39.602 38.487 -1.085 0.000 1.599 87 N HN 0.065 nan 8.380 nan 0.000 0.476 88 R N 1.927 122.443 120.500 0.027 0.000 2.139 88 R HA -0.073 4.271 4.340 0.006 0.000 0.243 88 R C 1.621 177.950 176.300 0.050 0.000 1.145 88 R CA 1.621 57.737 56.100 0.028 0.000 0.976 88 R CB -0.397 29.931 30.300 0.047 0.000 0.866 88 R HN 0.570 nan 8.270 nan 0.000 0.449 89 F N 0.374 120.224 119.950 -0.166 0.000 2.269 89 F HA -0.041 4.489 4.527 0.006 0.000 0.301 89 F C 1.926 177.690 175.800 -0.061 0.000 1.082 89 F CA 0.989 58.928 58.000 -0.101 0.000 1.360 89 F CB -0.508 38.432 39.000 -0.100 0.000 1.041 89 F HN 0.118 nan 8.300 nan 0.000 0.512 90 A N -0.044 122.634 122.820 -0.238 0.000 1.930 90 A HA -0.181 4.142 4.320 0.006 0.000 0.217 90 A C 2.294 179.986 177.584 0.181 0.000 1.175 90 A CA 1.589 53.639 52.037 0.021 0.000 0.627 90 A CB -0.538 18.499 19.000 0.062 0.000 0.815 90 A HN 0.400 nan 8.150 nan 0.000 0.443 91 K N -0.375 120.066 120.400 0.068 0.000 2.097 91 K HA -0.029 4.294 4.320 0.006 0.000 0.206 91 K C 1.748 178.333 176.600 -0.024 0.000 1.049 91 K CA 1.477 57.761 56.287 -0.005 0.000 0.933 91 K CB -0.328 32.093 32.500 -0.132 0.000 0.717 91 K HN 0.541 nan 8.250 nan 0.000 0.442 92 I N 1.021 121.580 120.570 -0.018 0.000 2.202 92 I HA -0.258 3.916 4.170 0.006 0.000 0.242 92 I C 2.136 178.294 176.117 0.069 0.000 1.091 92 I CA 1.128 62.425 61.300 -0.005 0.000 1.368 92 I CB -0.244 37.793 38.000 0.063 0.000 1.058 92 I HN 0.099 nan 8.210 nan 0.000 0.410 93 L N 0.582 121.842 121.223 0.061 0.000 2.191 93 L HA -0.121 4.223 4.340 0.006 0.000 0.212 93 L C 2.539 179.738 176.870 0.548 0.000 1.103 93 L CA 1.285 56.353 54.840 0.379 0.000 0.769 93 L CB -0.898 41.319 42.059 0.263 0.000 0.908 93 L HN 0.326 nan 8.230 nan 0.000 0.438 94 G N -0.821 108.127 108.800 0.247 0.000 2.534 94 G HA2 -0.117 3.846 3.960 0.006 0.000 0.217 94 G HA3 -0.117 3.846 3.960 0.006 0.000 0.217 94 G C 1.540 176.351 174.900 -0.149 0.000 1.128 94 G CA 0.436 45.453 45.100 -0.138 0.000 0.784 94 G HN 0.204 nan 8.290 nan 0.000 0.542 95 V N 0.392 120.198 119.914 -0.180 0.000 2.490 95 V HA -0.139 3.985 4.120 0.006 0.000 0.250 95 V C 2.375 178.232 176.094 -0.396 0.000 1.061 95 V CA 1.217 63.234 62.300 -0.472 0.000 1.064 95 V CB -0.656 30.626 31.823 -0.903 0.000 0.670 95 V HN 0.340 nan 8.190 nan 0.000 0.461 96 F N 1.472 121.370 119.950 -0.086 0.000 2.250 96 F HA -0.073 4.458 4.527 0.006 0.000 0.301 96 F C 2.318 177.775 175.800 -0.572 0.000 1.077 96 F CA 1.475 59.412 58.000 -0.105 0.000 1.348 96 F CB -0.891 38.117 39.000 0.014 0.000 1.040 96 F HN 0.242 nan 8.300 nan 0.000 0.509 97 G N -0.911 107.559 108.800 -0.549 0.000 2.744 97 G HA2 -0.001 3.963 3.960 0.006 0.000 0.211 97 G HA3 -0.001 3.963 3.960 0.006 0.000 0.211 97 G C 1.486 176.242 174.900 -0.241 0.000 1.143 97 G CA 0.320 45.124 45.100 -0.494 0.000 0.788 97 G HN 0.348 nan 8.290 nan 0.000 0.534 98 L N -2.279 118.801 121.223 -0.238 0.000 2.467 98 L HA 0.271 4.614 4.340 0.006 0.000 0.213 98 L C 2.357 179.158 176.870 -0.115 0.000 1.053 98 L CA -0.125 54.589 54.840 -0.209 0.000 0.847 98 L CB -0.161 41.674 42.059 -0.374 0.000 1.075 98 L HN 0.335 nan 8.230 nan 0.000 0.479 99 W N 1.667 122.797 121.300 -0.283 0.000 2.379 99 W HA -0.129 4.535 4.660 0.006 0.000 0.307 99 W C 2.197 178.673 176.519 -0.072 0.000 1.200 99 W CA 1.551 58.795 57.345 -0.169 0.000 1.297 99 W CB -0.080 29.286 29.460 -0.156 0.000 1.140 99 W HN -0.073 nan 8.180 nan 0.000 0.507 100 I N 1.863 122.442 120.570 0.015 0.000 2.127 100 I HA -0.285 3.888 4.170 0.006 0.000 0.241 100 I C -0.344 175.595 176.117 -0.296 0.000 1.075 100 I CA 1.632 62.808 61.300 -0.207 0.000 1.334 100 I CB -2.067 35.844 38.000 -0.148 0.000 1.040 100 I HN -0.046 nan 8.210 nan 0.000 0.405 101 P HA -0.176 nan 4.420 nan 0.000 0.217 101 P C 1.929 179.147 177.300 -0.137 0.000 1.150 101 P CA 1.352 64.374 63.100 -0.131 0.000 0.832 101 P CB -0.017 31.647 31.700 -0.059 0.000 0.787 102 L N 0.049 121.186 121.223 -0.143 0.000 2.017 102 L HA -0.109 4.234 4.340 0.006 0.000 0.208 102 L C 2.532 179.322 176.870 -0.134 0.000 1.073 102 L CA 1.704 56.485 54.840 -0.099 0.000 0.745 102 L CB -1.229 40.790 42.059 -0.067 0.000 0.894 102 L HN -0.242 nan 8.230 nan 0.000 0.432 103 V N -1.305 118.428 119.914 -0.302 0.000 2.343 103 V HA -0.264 3.859 4.120 0.006 0.000 0.247 103 V C 2.468 178.515 176.094 -0.078 0.000 1.051 103 V CA 1.583 63.730 62.300 -0.255 0.000 1.036 103 V CB -0.433 31.025 31.823 -0.608 0.000 0.654 103 V HN 0.330 nan 8.190 nan 0.000 0.451 104 V N 0.377 120.188 119.914 -0.172 0.000 2.343 104 V HA -0.268 3.856 4.120 0.006 0.000 0.247 104 V C 2.727 178.571 176.094 -0.416 0.000 1.051 104 V CA 2.024 64.136 62.300 -0.313 0.000 1.036 104 V CB -1.162 30.521 31.823 -0.233 0.000 0.654 104 V HN 0.565 nan 8.190 nan 0.000 0.451 105 A N -0.154 122.556 122.820 -0.183 0.000 1.940 105 A HA -0.205 4.119 4.320 0.006 0.000 0.219 105 A C 2.159 179.760 177.584 0.029 0.000 1.176 105 A CA 1.951 53.950 52.037 -0.063 0.000 0.631 105 A CB -0.629 18.362 19.000 -0.016 0.000 0.814 105 A HN 0.537 nan 8.150 nan 0.000 0.446 106 I N -1.219 119.377 120.570 0.043 0.000 2.454 106 I HA -0.285 3.888 4.170 0.006 0.000 0.254 106 I C 2.304 178.532 176.117 0.184 0.000 1.156 106 I CA 1.783 63.170 61.300 0.144 0.000 1.433 106 I CB -0.249 37.850 38.000 0.164 0.000 1.082 106 I HN 0.759 nan 8.210 nan 0.000 0.432 107 Y N -2.841 117.548 120.300 0.147 0.000 2.535 107 Y HA 0.097 4.650 4.550 0.006 0.000 0.266 107 Y C 2.198 178.179 175.900 0.135 0.000 1.088 107 Y CA -0.271 57.906 58.100 0.129 0.000 1.285 107 Y CB -1.003 37.530 38.460 0.123 0.000 1.166 107 Y HN -0.018 nan 8.280 nan 0.000 0.525 108 Y N 1.420 121.498 120.300 -0.371 0.000 2.163 108 Y HA -0.151 4.402 4.550 0.006 0.000 0.288 108 Y C 2.266 178.142 175.900 -0.039 0.000 1.136 108 Y CA 2.207 60.184 58.100 -0.206 0.000 1.147 108 Y CB -0.209 38.101 38.460 -0.250 0.000 0.987 108 Y HN 0.021 nan 8.280 nan 0.000 0.509 109 V N -0.495 119.576 119.914 0.261 0.000 2.490 109 V HA -0.292 3.832 4.120 0.006 0.000 0.250 109 V C 1.911 178.224 176.094 0.363 0.000 1.061 109 V CA 1.950 64.432 62.300 0.303 0.000 1.064 109 V CB -1.055 30.970 31.823 0.335 0.000 0.670 109 V HN 0.513 nan 8.190 nan 0.000 0.461 110 Y N 0.755 121.121 120.300 0.110 0.000 2.163 110 Y HA -0.148 4.406 4.550 0.006 0.000 0.288 110 Y C 2.227 177.758 175.900 -0.615 0.000 1.136 110 Y CA 1.263 59.271 58.100 -0.153 0.000 1.147 110 Y CB -0.337 37.892 38.460 -0.384 0.000 0.987 110 Y HN 0.193 nan 8.280 nan 0.000 0.509 111 I N 0.251 120.250 120.570 -0.951 0.000 2.226 111 I HA -0.304 3.870 4.170 0.006 0.000 0.245 111 I C 2.518 178.192 176.117 -0.737 0.000 1.100 111 I CA 1.908 62.278 61.300 -1.550 0.000 1.374 111 I CB -0.507 36.918 38.000 -0.959 0.000 1.057 111 I HN 0.295 nan 8.210 nan 0.000 0.413 112 E N 1.148 121.140 120.200 -0.346 0.000 2.118 112 E HA -0.269 4.085 4.350 0.006 0.000 0.195 112 E C 2.257 178.963 176.600 0.177 0.000 0.992 112 E CA 1.816 58.198 56.400 -0.030 0.000 0.804 112 E CB 0.007 29.736 29.700 0.048 0.000 0.741 112 E HN 0.546 nan 8.360 nan 0.000 0.458 113 S N -0.281 115.512 115.700 0.154 0.000 2.399 113 S HA -0.148 4.326 4.470 0.006 0.000 0.231 113 S C 1.650 176.457 174.600 0.346 0.000 1.022 113 S CA 0.842 59.226 58.200 0.306 0.000 0.983 113 S CB -0.671 62.835 63.200 0.510 0.000 0.803 113 S HN 0.426 nan 8.310 nan 0.000 0.480 114 W N 2.950 124.246 121.300 -0.007 0.000 2.358 114 W HA -0.004 4.660 4.660 0.005 0.000 0.303 114 W C 3.071 179.570 176.519 -0.034 0.000 1.208 114 W CA 1.405 58.679 57.345 -0.118 0.000 1.274 114 W CB -1.925 27.203 29.460 -0.553 0.000 1.138 114 W HN 0.612 nan 8.180 nan 0.000 0.515 115 T N -0.761 113.984 114.554 0.318 0.000 2.788 115 T HA -0.208 4.146 4.350 0.006 0.000 0.268 115 T C 1.922 176.752 174.700 0.216 0.000 1.044 115 T CA 1.508 63.769 62.100 0.269 0.000 1.139 115 T CB -0.777 68.240 68.868 0.248 0.000 0.867 115 T HN 0.004 nan 8.240 nan 0.000 0.454 116 L N 2.008 123.316 121.223 0.141 0.000 2.072 116 L HA 0.332 4.676 4.340 0.006 0.000 0.205 116 L C 2.718 179.661 176.870 0.121 0.000 1.079 116 L CA 2.006 56.775 54.840 -0.117 0.000 0.752 116 L CB -1.272 40.490 42.059 -0.496 0.000 0.906 116 L HN 0.362 nan 8.230 nan 0.000 0.436 117 G N -1.048 107.888 108.800 0.227 0.000 2.418 117 G HA2 -0.294 3.670 3.960 0.006 0.000 0.217 117 G HA3 -0.294 3.670 3.960 0.006 0.000 0.217 117 G C 1.417 176.609 174.900 0.487 0.000 1.158 117 G CA 0.935 46.257 45.100 0.369 0.000 0.771 117 G HN 0.386 nan 8.290 nan 0.000 0.545 118 F N 1.823 121.778 119.950 0.009 0.000 2.134 118 F HA 0.086 4.616 4.527 0.006 0.000 0.299 118 F C 3.021 178.967 175.800 0.243 0.000 1.097 118 F CA 0.572 58.556 58.000 -0.027 0.000 1.264 118 F CB -0.672 37.755 39.000 -0.956 0.000 1.001 118 F HN 0.248 nan 8.300 nan 0.000 0.479 119 A N 0.459 123.531 122.820 0.420 0.000 1.883 119 A HA -0.185 4.139 4.320 0.006 0.000 0.217 119 A C 2.314 180.266 177.584 0.613 0.000 1.186 119 A CA 1.882 54.266 52.037 0.578 0.000 0.624 119 A CB -1.153 18.124 19.000 0.461 0.000 0.822 119 A HN 0.365 nan 8.150 nan 0.000 0.444 120 I N -0.536 120.304 120.570 0.450 0.000 2.127 120 I HA -0.311 3.863 4.170 0.006 0.000 0.241 120 I C 2.485 178.775 176.117 0.288 0.000 1.075 120 I CA 1.925 63.439 61.300 0.357 0.000 1.334 120 I CB -0.329 37.920 38.000 0.415 0.000 1.040 120 I HN 0.304 nan 8.210 nan 0.000 0.405 121 K N 0.027 120.625 120.400 0.330 0.000 2.148 121 K HA -0.119 4.205 4.320 0.006 0.000 0.204 121 K C 2.028 178.702 176.600 0.124 0.000 1.050 121 K CA 1.354 57.742 56.287 0.167 0.000 0.942 121 K CB -0.172 32.441 32.500 0.187 0.000 0.724 121 K HN 0.129 nan 8.250 nan 0.000 0.446 122 F N 0.759 120.816 119.950 0.178 0.000 2.206 122 F HA -0.112 4.419 4.527 0.006 0.000 0.298 122 F C 2.063 177.946 175.800 0.139 0.000 1.090 122 F CA 0.553 58.676 58.000 0.206 0.000 1.323 122 F CB -0.266 38.971 39.000 0.395 0.000 1.028 122 F HN -0.060 nan 8.300 nan 0.000 0.492 123 L N -0.211 121.141 121.223 0.215 0.000 2.017 123 L HA -0.152 4.192 4.340 0.006 0.000 0.208 123 L C 1.893 178.732 176.870 -0.051 0.000 1.073 123 L CA 1.702 56.449 54.840 -0.154 0.000 0.745 123 L CB -0.710 41.083 42.059 -0.443 0.000 0.894 123 L HN -0.051 nan 8.230 nan 0.000 0.432 124 V N 0.210 120.115 119.914 -0.015 0.000 3.623 124 V HA 0.256 4.380 4.120 0.006 0.000 0.271 124 V C 1.672 177.743 176.094 -0.037 0.000 1.248 124 V CA 0.718 63.001 62.300 -0.030 0.000 1.156 124 V CB -1.018 30.787 31.823 -0.030 0.000 0.870 124 V HN 0.736 nan 8.190 nan 0.000 0.453 125 G N 0.927 109.706 108.800 -0.034 0.000 2.153 125 G HA2 -0.276 3.687 3.960 0.006 0.000 0.252 125 G HA3 -0.276 3.687 3.960 0.006 0.000 0.252 125 G C 0.276 175.098 174.900 -0.131 0.000 0.994 125 G CA 0.243 45.299 45.100 -0.073 0.000 0.698 125 G HN 0.514 nan 8.290 nan 0.000 0.521 126 L N 0.940 122.080 121.223 -0.138 0.000 2.583 126 L HA 0.436 4.780 4.340 0.006 0.000 0.239 126 L C 0.987 177.738 176.870 -0.197 0.000 1.347 126 L CA -0.431 54.325 54.840 -0.140 0.000 1.246 126 L CB -0.115 41.873 42.059 -0.118 0.000 1.496 126 L HN 0.314 nan 8.230 nan 0.000 0.413 127 V N -2.075 117.625 119.914 -0.357 0.000 3.113 127 V HA 0.727 4.850 4.120 0.006 0.000 0.316 127 V C -2.390 173.391 176.094 -0.522 0.000 1.125 127 V CA -2.175 59.716 62.300 -0.682 0.000 1.026 127 V CB 1.526 32.707 31.823 -1.070 0.000 1.080 127 V HN 0.102 nan 8.190 nan 0.000 0.444 128 P HA 0.332 nan 4.420 nan 0.000 0.271 128 P C -0.901 176.133 177.300 -0.443 0.000 1.218 128 P CA 0.049 62.802 63.100 -0.579 0.000 0.780 128 P CB 0.610 31.780 31.700 -0.882 0.000 0.901 129 E N 2.742 122.799 120.200 -0.239 0.000 2.149 129 E HA 0.330 4.683 4.350 0.006 0.000 0.255 129 E C -2.128 174.440 176.600 -0.053 0.000 0.888 129 E CA -1.773 54.564 56.400 -0.105 0.000 0.742 129 E CB 0.514 30.173 29.700 -0.068 0.000 1.164 129 E HN 0.385 nan 8.360 nan 0.000 0.422 130 P HA 0.080 nan 4.420 nan 0.000 0.270 130 P C -2.460 174.870 177.300 0.049 0.000 1.223 130 P CA -1.115 62.026 63.100 0.068 0.000 0.785 130 P CB -0.114 31.691 31.700 0.175 0.000 0.923 131 P HA 0.147 nan 4.420 nan 0.000 0.271 131 P C -2.165 175.159 177.300 0.042 0.000 1.233 131 P CA -0.935 62.185 63.100 0.034 0.000 0.764 131 P CB -0.361 31.358 31.700 0.031 0.000 0.825 136 D N 2.871 123.300 120.400 0.048 0.000 2.368 136 D HA 0.137 4.780 4.640 0.006 0.000 0.240 136 D C -1.314 175.040 176.300 0.089 0.000 1.169 136 D CA -1.339 52.696 54.000 0.059 0.000 0.906 136 D CB 1.216 42.046 40.800 0.050 0.000 1.187 136 D HN 0.236 nan 8.370 nan 0.000 0.435 137 P HA -0.167 nan 4.420 nan 0.000 0.219 137 P C 0.626 178.027 177.300 0.169 0.000 1.146 137 P CA 1.070 64.291 63.100 0.201 0.000 0.808 137 P CB 0.300 32.178 31.700 0.297 0.000 0.779 138 D N -0.286 120.179 120.400 0.109 0.000 2.249 138 D HA -0.061 4.582 4.640 0.006 0.000 0.205 138 D C 2.075 178.422 176.300 0.078 0.000 0.962 138 D CA 1.219 55.266 54.000 0.078 0.000 0.860 138 D CB -0.198 40.631 40.800 0.047 0.000 0.955 138 D HN 0.273 nan 8.370 nan 0.000 0.505 139 S N -0.048 115.699 115.700 0.078 0.000 2.515 139 S HA -0.002 4.472 4.470 0.006 0.000 0.231 139 S C 1.976 176.635 174.600 0.099 0.000 0.987 139 S CA 0.296 58.538 58.200 0.070 0.000 0.936 139 S CB -0.219 63.014 63.200 0.056 0.000 0.766 139 S HN 0.222 nan 8.310 nan 0.000 0.528 140 I N 0.258 120.909 120.570 0.135 0.000 2.810 140 I HA 0.101 4.275 4.170 0.006 0.000 0.262 140 I C 2.167 178.448 176.117 0.272 0.000 1.131 140 I CA 0.423 61.840 61.300 0.194 0.000 1.453 140 I CB -0.159 37.950 38.000 0.182 0.000 1.161 140 I HN 0.226 nan 8.210 nan 0.000 0.444 141 L N 0.545 121.893 121.223 0.208 0.000 2.072 141 L HA -0.126 4.218 4.340 0.006 0.000 0.205 141 L C 2.743 179.730 176.870 0.194 0.000 1.079 141 L CA 1.145 56.106 54.840 0.202 0.000 0.752 141 L CB -0.555 41.566 42.059 0.103 0.000 0.906 141 L HN 0.186 nan 8.230 nan 0.000 0.436 142 R N 0.427 120.993 120.500 0.110 0.000 2.113 142 R HA -0.198 4.146 4.340 0.006 0.000 0.244 142 R C -0.443 175.883 176.300 0.042 0.000 1.142 142 R CA 2.049 58.175 56.100 0.044 0.000 0.953 142 R CB -1.205 29.108 30.300 0.022 0.000 0.860 142 R HN 0.232 nan 8.270 nan 0.000 0.438 143 P HA -0.136 nan 4.420 nan 0.000 0.218 143 P C 0.592 177.829 177.300 -0.106 0.000 1.148 143 P CA 1.404 64.465 63.100 -0.066 0.000 0.822 143 P CB -0.060 31.551 31.700 -0.148 0.000 0.784 144 F N -0.358 119.635 119.950 0.073 0.000 2.473 144 F HA 0.080 4.611 4.527 0.007 0.000 0.294 144 F C 2.363 178.278 175.800 0.190 0.000 1.103 144 F CA 0.842 58.932 58.000 0.149 0.000 1.442 144 F CB -0.382 38.705 39.000 0.145 0.000 1.097 144 F HN -0.190 nan 8.300 nan 0.000 0.547 145 K N 0.996 121.508 120.400 0.188 0.000 2.025 145 K HA -0.181 4.143 4.320 0.006 0.000 0.207 145 K C 1.710 178.192 176.600 -0.196 0.000 1.049 145 K CA 1.785 58.020 56.287 -0.087 0.000 0.933 145 K CB -0.158 32.167 32.500 -0.292 0.000 0.714 145 K HN 0.256 nan 8.250 nan 0.000 0.438 146 E N -0.272 119.875 120.200 -0.089 0.000 2.150 146 E HA -0.186 4.168 4.350 0.006 0.000 0.193 146 E C 1.813 178.475 176.600 0.103 0.000 0.985 146 E CA 1.025 57.415 56.400 -0.017 0.000 0.814 146 E CB -0.179 29.515 29.700 -0.010 0.000 0.752 146 E HN 0.322 nan 8.360 nan 0.000 0.466 147 F N 1.398 121.341 119.950 -0.011 0.000 2.102 147 F HA -0.203 4.327 4.527 0.006 0.000 0.298 147 F C 2.108 177.978 175.800 0.116 0.000 1.105 147 F CA 1.079 59.073 58.000 -0.010 0.000 1.239 147 F CB -0.109 38.839 39.000 -0.086 0.000 0.991 147 F HN 0.003 nan 8.300 nan 0.000 0.474 148 L N -0.596 120.873 121.223 0.410 0.000 2.056 148 L HA -0.190 4.153 4.340 0.006 0.000 0.207 148 L C 2.057 179.077 176.870 0.250 0.000 1.078 148 L CA 1.799 56.881 54.840 0.403 0.000 0.749 148 L CB -1.342 41.009 42.059 0.487 0.000 0.901 148 L HN 0.142 nan 8.230 nan 0.000 0.433 149 Y N -0.178 120.132 120.300 0.016 0.000 2.274 149 Y HA -0.131 4.423 4.550 0.006 0.000 0.290 149 Y C 2.831 178.685 175.900 -0.078 0.000 1.145 149 Y CA 1.131 59.206 58.100 -0.041 0.000 1.203 149 Y CB -1.080 37.378 38.460 -0.003 0.000 0.984 149 Y HN 0.254 nan 8.280 nan 0.000 0.533 150 S N -1.315 114.433 115.700 0.080 0.000 2.414 150 S HA -0.157 4.316 4.470 0.006 0.000 0.227 150 S C 1.794 176.339 174.600 -0.092 0.000 1.022 150 S CA 0.642 58.823 58.200 -0.031 0.000 0.958 150 S CB -0.499 62.659 63.200 -0.070 0.000 0.797 150 S HN 0.537 nan 8.310 nan 0.000 0.493 151 Y N 2.785 122.934 120.300 -0.252 0.000 2.133 151 Y HA -0.040 4.514 4.550 0.006 0.000 0.287 151 Y C 1.961 177.686 175.900 -0.292 0.000 1.134 151 Y CA 1.697 59.630 58.100 -0.277 0.000 1.133 151 Y CB -0.163 38.119 38.460 -0.297 0.000 0.987 151 Y HN 0.308 nan 8.280 nan 0.000 0.502 152 I N -2.995 117.438 120.570 -0.228 0.000 3.427 152 I HA 0.368 4.542 4.170 0.006 0.000 0.288 152 I C 1.283 177.238 176.117 -0.269 0.000 1.249 152 I CA 0.757 61.827 61.300 -0.384 0.000 1.421 152 I CB -0.324 37.260 38.000 -0.693 0.000 1.086 152 I HN 0.283 nan 8.210 nan 0.000 0.448 153 G N 2.501 111.178 108.800 -0.205 0.000 2.291 153 G HA2 -0.183 3.780 3.960 0.006 0.000 0.271 153 G HA3 -0.183 3.780 3.960 0.006 0.000 0.271 153 G C -0.001 174.799 174.900 -0.166 0.000 1.099 153 G CA 0.061 45.069 45.100 -0.154 0.000 0.919 153 G HN 0.270 nan 8.290 nan 0.000 0.496 154 V N 0.910 120.684 119.914 -0.232 0.000 2.720 154 V HA 0.156 4.279 4.120 0.006 0.000 0.307 154 V C -0.888 175.106 176.094 -0.166 0.000 1.071 154 V CA -0.291 61.827 62.300 -0.304 0.000 1.199 154 V CB 0.559 31.970 31.823 -0.686 0.000 0.900 154 V HN 0.383 nan 8.190 nan 0.000 0.494 155 P HA 0.104 nan 4.420 nan 0.000 0.263 155 P C 0.254 177.526 177.300 -0.047 0.000 1.195 155 P CA 0.186 63.238 63.100 -0.079 0.000 0.762 155 P CB 0.319 31.969 31.700 -0.084 0.000 0.799 156 K N 1.468 121.857 120.400 -0.019 0.000 2.367 156 K HA 0.179 4.502 4.320 0.006 0.000 0.194 156 K C 1.235 177.838 176.600 0.005 0.000 1.027 156 K CA 0.162 56.453 56.287 0.006 0.000 1.075 156 K CB 0.555 33.064 32.500 0.015 0.000 0.845 156 K HN 0.567 nan 8.250 nan 0.000 0.529 157 G N 0.352 109.150 108.800 -0.004 0.000 3.175 157 G HA2 0.054 4.018 3.960 0.006 0.000 0.153 157 G HA3 0.054 4.018 3.960 0.006 0.000 0.153 157 G C -0.205 174.691 174.900 -0.006 0.000 1.216 157 G CA -0.269 44.832 45.100 0.001 0.000 0.943 157 G HN -0.106 nan 8.290 nan 0.000 0.611 158 D N 0.152 120.554 120.400 0.003 0.000 2.392 158 D HA 0.091 4.734 4.640 0.006 0.000 0.206 158 D C 0.241 176.538 176.300 -0.005 0.000 1.046 158 D CA 0.336 54.337 54.000 0.003 0.000 0.865 158 D CB 0.710 41.527 40.800 0.028 0.000 0.969 158 D HN 0.424 nan 8.370 nan 0.000 0.509 159 E N 2.589 122.791 120.200 0.003 0.000 2.316 159 E HA 0.101 4.454 4.350 0.006 0.000 0.275 159 E C -1.937 174.637 176.600 -0.044 0.000 1.029 159 E CA -1.501 54.904 56.400 0.008 0.000 0.871 159 E CB 1.003 30.721 29.700 0.030 0.000 1.022 159 E HN -0.001 nan 8.360 nan 0.000 0.418 160 P HA 0.075 nan 4.420 nan 0.000 0.249 160 P C -0.665 176.585 177.300 -0.083 0.000 1.686 160 P CA 0.345 63.357 63.100 -0.147 0.000 0.873 160 P CB -0.109 31.439 31.700 -0.253 0.000 1.828 161 I N 1.037 121.581 120.570 -0.044 0.000 2.433 161 I HA 0.324 4.497 4.170 0.006 0.000 0.292 161 I C 0.636 176.747 176.117 -0.010 0.000 1.001 161 I CA -1.358 59.941 61.300 -0.002 0.000 1.119 161 I CB 1.885 39.901 38.000 0.026 0.000 1.289 161 I HN -0.075 nan 8.210 nan 0.000 0.438 162 L N 5.839 127.064 121.223 0.003 0.000 2.360 162 L HA 0.495 4.839 4.340 0.006 0.000 0.271 162 L C 0.593 177.455 176.870 -0.013 0.000 1.057 162 L CA -0.563 54.244 54.840 -0.055 0.000 0.803 162 L CB 0.959 42.945 42.059 -0.122 0.000 1.207 162 L HN 0.386 nan 8.230 nan 0.000 0.445 163 K N 3.639 123.997 120.400 -0.069 0.000 2.920 163 K HA 0.321 4.645 4.320 0.006 0.000 0.175 163 K C -2.611 173.917 176.600 -0.120 0.000 1.099 163 K CA -1.764 54.505 56.287 -0.030 0.000 0.939 163 K CB 1.076 33.581 32.500 0.008 0.000 1.148 163 K HN 0.208 nan 8.250 nan 0.000 0.613 164 P HA -0.032 nan 4.420 nan 0.000 0.266 164 P C 0.132 177.327 177.300 -0.174 0.000 1.195 164 P CA 0.141 63.093 63.100 -0.246 0.000 0.768 164 P CB 0.581 32.106 31.700 -0.293 0.000 0.838 165 S N 2.287 117.858 115.700 -0.215 0.000 2.580 165 S HA -0.015 4.459 4.470 0.006 0.000 0.266 165 S C 1.327 175.891 174.600 -0.061 0.000 1.354 165 S CA -0.588 57.532 58.200 -0.133 0.000 1.008 165 S CB 0.069 63.179 63.200 -0.150 0.000 0.898 165 S HN 0.401 nan 8.310 nan 0.000 0.555 166 L N 1.084 122.315 121.223 0.013 0.000 2.079 166 L HA 0.026 4.370 4.340 0.006 0.000 0.210 166 L C 1.978 178.936 176.870 0.147 0.000 1.081 166 L CA 1.781 56.672 54.840 0.084 0.000 0.752 166 L CB -1.243 40.863 42.059 0.078 0.000 0.896 166 L HN 0.822 nan 8.230 nan 0.000 0.433 167 F N 0.496 120.422 119.950 -0.039 0.000 2.102 167 F HA -0.178 4.352 4.527 0.006 0.000 0.298 167 F C 2.351 178.122 175.800 -0.047 0.000 1.105 167 F CA 1.573 59.560 58.000 -0.021 0.000 1.239 167 F CB -0.919 38.062 39.000 -0.031 0.000 0.991 167 F HN 0.158 nan 8.300 nan 0.000 0.474 168 A N -0.656 121.923 122.820 -0.402 0.000 1.908 168 A HA -0.288 4.036 4.320 0.006 0.000 0.218 168 A C 2.191 179.717 177.584 -0.097 0.000 1.181 168 A CA 1.887 53.563 52.037 -0.602 0.000 0.627 168 A CB -1.753 16.618 19.000 -1.047 0.000 0.818 168 A HN 0.614 nan 8.150 nan 0.000 0.445 169 Y N 0.306 120.543 120.300 -0.106 0.000 2.145 169 Y HA -0.160 4.394 4.550 0.006 0.000 0.286 169 Y C 2.072 178.050 175.900 0.131 0.000 1.145 169 Y CA 1.851 59.982 58.100 0.051 0.000 1.148 169 Y CB -0.211 38.281 38.460 0.053 0.000 0.981 169 Y HN 0.271 nan 8.280 nan 0.000 0.507 170 I N -1.181 119.481 120.570 0.154 0.000 2.286 170 I HA -0.284 3.890 4.170 0.006 0.000 0.248 170 I C 2.103 178.201 176.117 -0.032 0.000 1.115 170 I CA 1.033 62.377 61.300 0.072 0.000 1.392 170 I CB -0.438 37.621 38.000 0.098 0.000 1.065 170 I HN 0.077 nan 8.210 nan 0.000 0.418 171 V N 0.538 120.377 119.914 -0.124 0.000 2.427 171 V HA -0.279 3.844 4.120 0.006 0.000 0.248 171 V C 2.256 178.395 176.094 0.076 0.000 1.051 171 V CA 1.662 63.896 62.300 -0.110 0.000 1.048 171 V CB -0.707 30.948 31.823 -0.280 0.000 0.666 171 V HN 0.360 nan 8.190 nan 0.000 0.456 172 F N 0.546 120.494 119.950 -0.003 0.000 2.134 172 F HA -0.167 4.363 4.527 0.006 0.000 0.299 172 F C 2.027 177.852 175.800 0.040 0.000 1.097 172 F CA 1.535 59.577 58.000 0.070 0.000 1.264 172 F CB -0.371 38.666 39.000 0.062 0.000 1.001 172 F HN 0.031 nan 8.300 nan 0.000 0.479 173 L N -0.140 121.005 121.223 -0.129 0.000 2.042 173 L HA -0.272 4.072 4.340 0.006 0.000 0.210 173 L C 2.495 179.277 176.870 -0.147 0.000 1.076 173 L CA 1.569 56.275 54.840 -0.223 0.000 0.749 173 L CB -0.628 41.343 42.059 -0.146 0.000 0.893 173 L HN 0.179 nan 8.230 nan 0.000 0.432 174 I N -1.068 119.468 120.570 -0.057 0.000 2.252 174 I HA -0.268 3.906 4.170 0.006 0.000 0.245 174 I C 2.449 178.628 176.117 0.102 0.000 1.102 174 I CA 1.372 62.691 61.300 0.032 0.000 1.385 174 I CB -0.477 37.540 38.000 0.028 0.000 1.064 174 I HN 0.240 nan 8.210 nan 0.000 0.414 175 T N 0.797 115.383 114.554 0.054 0.000 2.746 175 T HA -0.152 4.201 4.350 0.006 0.000 0.267 175 T C 1.978 176.679 174.700 0.003 0.000 1.039 175 T CA 1.239 63.411 62.100 0.120 0.000 1.142 175 T CB -0.088 68.888 68.868 0.180 0.000 0.866 175 T HN 0.150 nan 8.240 nan 0.000 0.444 176 M N 0.407 119.897 119.600 -0.183 0.000 2.117 176 M HA 0.008 4.492 4.480 0.006 0.000 0.262 176 M C 2.120 178.367 176.300 -0.090 0.000 1.065 176 M CA 1.347 56.525 55.300 -0.204 0.000 1.114 176 M CB -1.282 31.098 32.600 -0.367 0.000 1.361 176 M HN 0.275 nan 8.290 nan 0.000 0.408 177 F N 1.237 121.084 119.950 -0.173 0.000 2.126 177 F HA -0.190 4.340 4.527 0.006 0.000 0.299 177 F C 2.138 177.889 175.800 -0.081 0.000 1.096 177 F CA 1.482 59.408 58.000 -0.124 0.000 1.255 177 F CB -0.297 38.640 39.000 -0.104 0.000 0.997 177 F HN 0.011 nan 8.300 nan 0.000 0.479 178 I N 0.215 120.775 120.570 -0.017 0.000 2.252 178 I HA -0.323 3.851 4.170 0.006 0.000 0.245 178 I C 2.267 178.248 176.117 -0.226 0.000 1.102 178 I CA 1.289 62.533 61.300 -0.093 0.000 1.385 178 I CB -0.707 37.375 38.000 0.137 0.000 1.064 178 I HN 0.208 nan 8.210 nan 0.000 0.414 179 N N 0.659 119.259 118.700 -0.167 0.000 2.104 179 N HA -0.163 4.581 4.740 0.006 0.000 0.190 179 N C 1.962 177.338 175.510 -0.224 0.000 1.024 179 N CA 1.436 54.369 53.050 -0.194 0.000 0.853 179 N CB -0.137 38.284 38.487 -0.111 0.000 1.008 179 N HN 0.166 nan 8.380 nan 0.000 0.424 180 V N 1.637 121.405 119.914 -0.242 0.000 2.407 180 V HA -0.202 3.921 4.120 0.006 0.000 0.248 180 V C 2.571 178.474 176.094 -0.319 0.000 1.055 180 V CA 1.956 64.106 62.300 -0.251 0.000 1.049 180 V CB -0.609 31.065 31.823 -0.249 0.000 0.662 180 V HN 0.447 nan 8.190 nan 0.000 0.455 181 S N -0.119 115.305 115.700 -0.460 0.000 2.399 181 S HA -0.114 4.360 4.470 0.006 0.000 0.231 181 S C 1.885 176.314 174.600 -0.285 0.000 1.022 181 S CA 1.557 59.501 58.200 -0.427 0.000 0.983 181 S CB -0.527 62.352 63.200 -0.536 0.000 0.803 181 S HN 0.567 nan 8.310 nan 0.000 0.480 182 I N 1.019 121.409 120.570 -0.300 0.000 2.277 182 I HA -0.024 4.149 4.170 0.006 0.000 0.243 182 I C 2.410 178.407 176.117 -0.199 0.000 1.094 182 I CA 0.882 62.021 61.300 -0.268 0.000 1.393 182 I CB -0.358 37.397 38.000 -0.409 0.000 1.078 182 I HN 0.237 nan 8.210 nan 0.000 0.417 183 L N 0.406 121.516 121.223 -0.189 0.000 2.093 183 L HA -0.183 4.161 4.340 0.006 0.000 0.208 183 L C 2.511 179.296 176.870 -0.142 0.000 1.085 183 L CA 1.286 56.040 54.840 -0.144 0.000 0.755 183 L CB -0.292 41.702 42.059 -0.109 0.000 0.904 183 L HN 0.252 nan 8.230 nan 0.000 0.435 184 I N -0.289 120.192 120.570 -0.149 0.000 2.756 184 I HA -0.226 3.947 4.170 0.006 0.000 0.262 184 I C 2.200 178.238 176.117 -0.131 0.000 1.225 184 I CA 0.983 62.204 61.300 -0.132 0.000 1.472 184 I CB -0.048 37.870 38.000 -0.137 0.000 1.094 184 I HN 0.212 nan 8.210 nan 0.000 0.454 185 R N 0.734 121.151 120.500 -0.138 0.000 2.310 185 R HA 0.240 4.584 4.340 0.006 0.000 0.202 185 R C 0.941 177.149 176.300 -0.153 0.000 0.933 185 R CA 0.558 56.582 56.100 -0.126 0.000 1.054 185 R CB 0.164 30.401 30.300 -0.105 0.000 0.985 185 R HN 0.472 nan 8.270 nan 0.000 0.489 186 G N 1.122 109.811 108.800 -0.185 0.000 2.587 186 G HA2 -0.242 3.722 3.960 0.006 0.000 0.212 186 G HA3 -0.242 3.722 3.960 0.006 0.000 0.212 186 G C 0.443 175.139 174.900 -0.339 0.000 1.327 186 G CA -0.500 44.444 45.100 -0.260 0.000 0.898 186 G HN -0.038 nan 8.290 nan 0.000 0.551 187 I N 1.292 121.548 120.570 -0.524 0.000 2.141 187 I HA -0.064 4.109 4.170 0.006 0.000 0.236 187 I C 3.250 179.082 176.117 -0.474 0.000 1.071 187 I CA 2.921 63.764 61.300 -0.762 0.000 1.345 187 I CB -1.764 35.444 38.000 -1.321 0.000 1.066 187 I HN 0.899 nan 8.210 nan 0.000 0.406 188 S N 1.000 116.485 115.700 -0.358 0.000 2.362 188 S HA -0.090 4.384 4.470 0.006 0.000 0.221 188 S C 1.844 176.403 174.600 -0.068 0.000 1.032 188 S CA 0.677 58.793 58.200 -0.140 0.000 0.973 188 S CB -0.394 62.742 63.200 -0.107 0.000 0.849 188 S HN 0.379 nan 8.310 nan 0.000 0.465 189 K N 1.024 121.365 120.400 -0.098 0.000 2.418 189 K HA 0.203 4.527 4.320 0.006 0.000 0.195 189 K C 1.823 178.393 176.600 -0.051 0.000 1.035 189 K CA 0.625 56.877 56.287 -0.059 0.000 1.003 189 K CB 0.000 32.460 32.500 -0.066 0.000 0.793 189 K HN 0.538 nan 8.250 nan 0.000 0.494 190 G N 1.080 109.830 108.800 -0.083 0.000 2.598 190 G HA2 0.012 3.975 3.960 0.006 0.000 0.225 190 G HA3 0.012 3.975 3.960 0.006 0.000 0.225 190 G C 1.318 176.209 174.900 -0.016 0.000 1.631 190 G CA -0.276 44.779 45.100 -0.074 0.000 0.821 190 G HN -0.028 nan 8.290 nan 0.000 0.610 191 I N 0.898 121.442 120.570 -0.043 0.000 2.226 191 I HA -0.122 4.052 4.170 0.006 0.000 0.245 191 I C 2.671 178.885 176.117 0.161 0.000 1.100 191 I CA 1.577 62.912 61.300 0.059 0.000 1.374 191 I CB -0.142 37.866 38.000 0.013 0.000 1.057 191 I HN 0.356 nan 8.210 nan 0.000 0.413 192 E N 1.204 121.511 120.200 0.178 0.000 2.047 192 E HA -0.215 4.139 4.350 0.006 0.000 0.191 192 E C 2.445 179.111 176.600 0.109 0.000 0.987 192 E CA 1.026 57.553 56.400 0.211 0.000 0.799 192 E CB 0.078 29.947 29.700 0.282 0.000 0.752 192 E HN 0.317 nan 8.360 nan 0.000 0.449 193 R N -0.331 120.222 120.500 0.087 0.000 2.080 193 R HA -0.178 4.165 4.340 0.006 0.000 0.236 193 R C 2.402 178.750 176.300 0.079 0.000 1.137 193 R CA 1.634 57.776 56.100 0.070 0.000 0.943 193 R CB -0.652 29.686 30.300 0.063 0.000 0.846 193 R HN 0.269 nan 8.270 nan 0.000 0.431 194 F N 1.493 121.420 119.950 -0.038 0.000 2.134 194 F HA -0.179 4.352 4.527 0.006 0.000 0.299 194 F C 2.331 178.076 175.800 -0.092 0.000 1.097 194 F CA 1.296 59.249 58.000 -0.079 0.000 1.264 194 F CB -0.427 38.501 39.000 -0.120 0.000 1.001 194 F HN 0.014 nan 8.300 nan 0.000 0.479 195 A N 0.345 123.143 122.820 -0.036 0.000 1.917 195 A HA -0.265 4.059 4.320 0.006 0.000 0.219 195 A C 2.280 179.765 177.584 -0.165 0.000 1.182 195 A CA 2.057 54.021 52.037 -0.121 0.000 0.633 195 A CB -0.792 18.203 19.000 -0.008 0.000 0.819 195 A HN 0.469 nan 8.150 nan 0.000 0.448 196 K N -0.802 119.539 120.400 -0.098 0.000 2.209 196 K HA -0.050 4.274 4.320 0.006 0.000 0.204 196 K C 1.662 178.206 176.600 -0.093 0.000 1.048 196 K CA 1.435 57.680 56.287 -0.071 0.000 0.940 196 K CB -0.274 32.210 32.500 -0.026 0.000 0.729 196 K HN 0.620 nan 8.250 nan 0.000 0.451 197 I N -0.121 120.346 120.570 -0.171 0.000 2.585 197 I HA -0.098 4.076 4.170 0.006 0.000 0.254 197 I C 2.368 178.359 176.117 -0.210 0.000 1.129 197 I CA 0.473 61.681 61.300 -0.154 0.000 1.455 197 I CB -0.156 37.755 38.000 -0.149 0.000 1.111 197 I HN 0.033 nan 8.210 nan 0.000 0.433 198 A N 1.038 123.535 122.820 -0.538 0.000 1.897 198 A HA -0.118 4.205 4.320 0.006 0.000 0.215 198 A C 2.318 179.823 177.584 -0.131 0.000 1.181 198 A CA 1.198 52.886 52.037 -0.581 0.000 0.620 198 A CB -0.298 17.958 19.000 -1.240 0.000 0.821 198 A HN 0.195 nan 8.150 nan 0.000 0.443 199 M N -0.519 119.010 119.600 -0.118 0.000 2.099 199 M HA -0.030 4.453 4.480 0.006 0.000 0.262 199 M C -0.409 175.942 176.300 0.085 0.000 1.067 199 M CA 1.298 56.596 55.300 -0.003 0.000 1.124 199 M CB -2.511 30.070 32.600 -0.033 0.000 1.353 199 M HN 0.121 nan 8.290 nan 0.000 0.410 200 P HA -0.084 nan 4.420 nan 0.000 0.215 200 P C 1.578 178.990 177.300 0.187 0.000 1.157 200 P CA 1.540 64.721 63.100 0.134 0.000 0.868 200 P CB -0.298 31.449 31.700 0.079 0.000 0.788 201 T N 0.156 114.804 114.554 0.158 0.000 2.652 201 T HA -0.172 4.182 4.350 0.006 0.000 0.267 201 T C 1.763 176.559 174.700 0.160 0.000 1.039 201 T CA 1.075 63.279 62.100 0.174 0.000 1.153 201 T CB -1.081 67.945 68.868 0.264 0.000 0.863 201 T HN 0.043 nan 8.240 nan 0.000 0.428 202 L N 0.005 121.343 121.223 0.191 0.000 2.013 202 L HA -0.127 4.216 4.340 0.006 0.000 0.212 202 L C 2.281 179.248 176.870 0.162 0.000 1.073 202 L CA 1.726 56.653 54.840 0.145 0.000 0.753 202 L CB -0.386 41.771 42.059 0.164 0.000 0.890 202 L HN 0.227 nan 8.230 nan 0.000 0.432 203 F N 0.407 120.400 119.950 0.072 0.000 2.134 203 F HA -0.250 4.280 4.527 0.006 0.000 0.299 203 F C 2.086 177.931 175.800 0.075 0.000 1.097 203 F CA 1.754 59.802 58.000 0.080 0.000 1.264 203 F CB -0.243 38.795 39.000 0.062 0.000 1.001 203 F HN 0.024 nan 8.300 nan 0.000 0.479 204 I N -0.246 120.327 120.570 0.005 0.000 2.202 204 I HA -0.318 3.856 4.170 0.006 0.000 0.242 204 I C 2.394 178.471 176.117 -0.067 0.000 1.091 204 I CA 1.207 62.455 61.300 -0.086 0.000 1.368 204 I CB -0.572 37.444 38.000 0.027 0.000 1.058 204 I HN 0.143 nan 8.210 nan 0.000 0.410 205 L N 0.524 121.734 121.223 -0.021 0.000 2.042 205 L HA -0.250 4.094 4.340 0.006 0.000 0.210 205 L C 2.842 179.714 176.870 0.003 0.000 1.076 205 L CA 1.519 56.358 54.840 -0.003 0.000 0.749 205 L CB -0.765 41.270 42.059 -0.039 0.000 0.893 205 L HN 0.269 nan 8.230 nan 0.000 0.432 206 A N -0.446 122.339 122.820 -0.058 0.000 1.877 206 A HA -0.145 4.179 4.320 0.006 0.000 0.216 206 A C 2.330 179.868 177.584 -0.077 0.000 1.186 206 A CA 1.743 53.759 52.037 -0.035 0.000 0.620 206 A CB -0.868 18.181 19.000 0.082 0.000 0.822 206 A HN 0.177 nan 8.150 nan 0.000 0.443 207 V N -1.092 118.698 119.914 -0.207 0.000 2.332 207 V HA -0.255 3.868 4.120 0.006 0.000 0.248 207 V C 2.286 178.310 176.094 -0.117 0.000 1.055 207 V CA 2.208 64.368 62.300 -0.233 0.000 1.038 207 V CB -0.944 30.635 31.823 -0.407 0.000 0.651 207 V HN 0.628 nan 8.190 nan 0.000 0.450 208 F N 0.303 120.149 119.950 -0.175 0.000 2.102 208 F HA -0.182 4.349 4.527 0.007 0.000 0.298 208 F C 2.066 177.783 175.800 -0.137 0.000 1.105 208 F CA 1.694 59.619 58.000 -0.126 0.000 1.239 208 F CB -0.316 38.630 39.000 -0.089 0.000 0.991 208 F HN 0.022 nan 8.300 nan 0.000 0.474 209 L N -0.661 120.488 121.223 -0.123 0.000 2.042 209 L HA -0.246 4.097 4.340 0.006 0.000 0.210 209 L C 2.391 179.074 176.870 -0.310 0.000 1.076 209 L CA 1.135 55.847 54.840 -0.214 0.000 0.749 209 L CB -0.831 41.218 42.059 -0.016 0.000 0.893 209 L HN 0.027 nan 8.230 nan 0.000 0.432 210 V N 0.182 119.912 119.914 -0.307 0.000 2.287 210 V HA -0.329 3.795 4.120 0.006 0.000 0.248 210 V C 2.299 177.950 176.094 -0.739 0.000 1.053 210 V CA 2.026 64.003 62.300 -0.539 0.000 1.027 210 V CB -0.369 31.162 31.823 -0.487 0.000 0.646 210 V HN 0.317 nan 8.190 nan 0.000 0.447 211 I N -0.389 119.890 120.570 -0.486 0.000 2.142 211 I HA -0.266 3.907 4.170 0.006 0.000 0.240 211 I C 2.746 178.680 176.117 -0.306 0.000 1.078 211 I CA 1.795 62.901 61.300 -0.324 0.000 1.343 211 I CB -0.437 37.422 38.000 -0.235 0.000 1.046 211 I HN 0.227 nan 8.210 nan 0.000 0.405 212 R N 1.081 121.284 120.500 -0.495 0.000 2.096 212 R HA -0.161 4.183 4.340 0.006 0.000 0.240 212 R C 2.066 178.233 176.300 -0.222 0.000 1.139 212 R CA 1.856 57.698 56.100 -0.431 0.000 0.952 212 R CB -1.040 28.874 30.300 -0.642 0.000 0.854 212 R HN 0.189 nan 8.270 nan 0.000 0.436 213 V N 0.333 120.115 119.914 -0.220 0.000 2.407 213 V HA -0.199 3.925 4.120 0.006 0.000 0.248 213 V C 1.890 178.055 176.094 0.118 0.000 1.055 213 V CA 1.599 63.864 62.300 -0.057 0.000 1.049 213 V CB -0.672 31.094 31.823 -0.094 0.000 0.662 213 V HN 0.209 nan 8.190 nan 0.000 0.455 214 F N -0.308 119.617 119.950 -0.041 0.000 2.546 214 F HA 0.011 4.543 4.527 0.009 0.000 0.298 214 F C 1.818 177.605 175.800 -0.021 0.000 1.120 214 F CA 0.592 58.581 58.000 -0.019 0.000 1.456 214 F CB -0.796 38.189 39.000 -0.024 0.000 1.088 214 F HN 0.160 nan 8.300 nan 0.000 0.572 215 L N -0.680 120.628 121.223 0.142 0.000 2.592 215 L HA 0.084 4.428 4.340 0.006 0.000 0.227 215 L C 0.539 177.450 176.870 0.069 0.000 1.127 215 L CA -0.007 54.875 54.840 0.070 0.000 0.884 215 L CB -0.212 41.856 42.059 0.014 0.000 1.065 215 L HN -0.128 nan 8.230 nan 0.000 0.457 216 L N 1.125 122.415 121.223 0.113 0.000 2.360 216 L HA 0.205 4.548 4.340 0.006 0.000 0.276 216 L C 0.082 177.001 176.870 0.082 0.000 1.121 216 L CA 0.468 55.400 54.840 0.153 0.000 0.845 216 L CB 0.753 42.972 42.059 0.267 0.000 1.143 216 L HN 0.135 nan 8.230 nan 0.000 0.452 217 E N 2.128 122.326 120.200 -0.003 0.000 2.335 217 E HA 0.498 4.851 4.350 0.006 0.000 0.280 217 E C -1.295 175.171 176.600 -0.224 0.000 0.918 217 E CA -0.477 55.871 56.400 -0.086 0.000 0.765 217 E CB 2.244 31.911 29.700 -0.056 0.000 1.218 217 E HN 0.644 nan 8.360 nan 0.000 0.425 218 T N 0.138 114.527 114.554 -0.274 0.000 2.812 218 T HA 0.445 4.799 4.350 0.006 0.000 0.294 218 T C -2.325 172.240 174.700 -0.224 0.000 1.159 218 T CA -1.507 60.380 62.100 -0.354 0.000 1.008 218 T CB 1.314 69.793 68.868 -0.647 0.000 1.289 218 T HN 0.155 nan 8.240 nan 0.000 0.514 219 P HA -0.010 nan 4.420 nan 0.000 0.220 219 P C 1.053 178.282 177.300 -0.119 0.000 1.144 219 P CA 0.832 63.853 63.100 -0.133 0.000 0.800 219 P CB -0.006 31.623 31.700 -0.119 0.000 0.772 220 N N -1.163 117.445 118.700 -0.154 0.000 2.422 220 N HA 0.102 4.846 4.740 0.006 0.000 0.181 220 N C 1.183 176.642 175.510 -0.085 0.000 1.080 220 N CA 1.179 54.162 53.050 -0.111 0.000 0.893 220 N CB 0.517 38.928 38.487 -0.126 0.000 0.973 220 N HN 0.180 nan 8.380 nan 0.000 0.456 221 G N -0.581 108.159 108.800 -0.100 0.000 2.350 221 G HA2 0.105 4.068 3.960 0.006 0.000 0.282 221 G HA3 0.105 4.068 3.960 0.006 0.000 0.282 221 G C -1.155 173.712 174.900 -0.054 0.000 1.314 221 G CA -0.213 44.850 45.100 -0.061 0.000 0.915 221 G HN 0.203 nan 8.290 nan 0.000 0.499 222 T N -2.929 111.614 114.554 -0.018 0.000 2.887 222 T HA 0.764 5.118 4.350 0.006 0.000 0.292 222 T C 1.519 176.244 174.700 0.042 0.000 1.087 222 T CA 0.606 62.708 62.100 0.004 0.000 1.009 222 T CB 1.553 70.413 68.868 -0.012 0.000 1.203 222 T HN 2.101 nan 8.240 nan 0.000 0.518 223 A N 0.438 123.304 122.820 0.076 0.000 2.019 223 A HA 0.253 4.577 4.320 0.006 0.000 0.219 223 A C 2.492 180.118 177.584 0.070 0.000 1.164 223 A CA 1.843 53.959 52.037 0.131 0.000 0.644 223 A CB -1.473 17.686 19.000 0.265 0.000 0.805 223 A HN 1.311 nan 8.150 nan 0.000 0.449 224 A N 0.220 123.031 122.820 -0.015 0.000 1.972 224 A HA -0.174 4.149 4.320 0.006 0.000 0.219 224 A C 1.691 179.289 177.584 0.023 0.000 1.169 224 A CA 1.715 53.722 52.037 -0.050 0.000 0.635 224 A CB -0.478 18.474 19.000 -0.081 0.000 0.810 224 A HN 0.485 nan 8.150 nan 0.000 0.446 225 D N -0.122 120.299 120.400 0.035 0.000 2.144 225 D HA -0.103 4.541 4.640 0.006 0.000 0.199 225 D C 2.020 178.383 176.300 0.105 0.000 0.984 225 D CA 1.460 55.493 54.000 0.054 0.000 0.834 225 D CB -0.640 40.176 40.800 0.027 0.000 0.955 225 D HN 0.460 nan 8.370 nan 0.000 0.465 226 G N 0.865 109.734 108.800 0.116 0.000 2.402 226 G HA2 -0.161 3.803 3.960 0.006 0.000 0.216 226 G HA3 -0.161 3.803 3.960 0.006 0.000 0.216 226 G C 1.843 176.884 174.900 0.234 0.000 1.162 226 G CA 0.178 45.382 45.100 0.173 0.000 0.777 226 G HN 0.227 nan 8.290 nan 0.000 0.539 227 L N 0.662 122.011 121.223 0.210 0.000 2.012 227 L HA -0.119 4.225 4.340 0.006 0.000 0.210 227 L C 2.731 179.774 176.870 0.289 0.000 1.073 227 L CA 1.111 56.122 54.840 0.285 0.000 0.748 227 L CB -0.481 41.708 42.059 0.216 0.000 0.891 227 L HN 0.149 nan 8.230 nan 0.000 0.431 228 N N -0.128 118.690 118.700 0.197 0.000 2.223 228 N HA -0.225 4.519 4.740 0.006 0.000 0.185 228 N C 1.746 177.347 175.510 0.152 0.000 1.016 228 N CA 1.358 54.508 53.050 0.166 0.000 0.863 228 N CB -0.342 38.212 38.487 0.112 0.000 0.983 228 N HN 0.285 nan 8.380 nan 0.000 0.429 229 F N 1.540 121.501 119.950 0.018 0.000 2.234 229 F HA -0.053 4.476 4.527 0.003 0.000 0.299 229 F C 1.962 177.704 175.800 -0.096 0.000 1.087 229 F CA 0.618 58.597 58.000 -0.035 0.000 1.340 229 F CB -0.218 38.755 39.000 -0.045 0.000 1.031 229 F HN -0.059 nan 8.300 nan 0.000 0.500 230 L N -1.202 119.805 121.223 -0.360 0.000 2.270 230 L HA 0.043 4.387 4.340 0.006 0.000 0.210 230 L C 0.676 177.122 176.870 -0.707 0.000 1.104 230 L CA 1.541 55.967 54.840 -0.690 0.000 0.804 230 L CB -0.746 40.958 42.059 -0.593 0.000 0.937 230 L HN 0.220 nan 8.230 nan 0.000 0.450 231 W N -0.643 120.578 121.300 -0.131 0.000 2.771 231 W HA 0.361 5.023 4.660 0.003 0.000 0.412 231 W C 0.176 176.636 176.519 -0.098 0.000 0.965 231 W CA -0.448 56.843 57.345 -0.090 0.000 2.045 231 W CB 0.260 29.698 29.460 -0.036 0.000 1.176 231 W HN -0.210 nan 8.180 nan 0.000 0.634 232 T N 2.388 116.943 114.554 0.003 0.000 2.753 232 T HA 0.252 4.605 4.350 0.006 0.000 0.297 232 T C -2.422 172.196 174.700 -0.137 0.000 0.981 232 T CA -1.549 60.535 62.100 -0.027 0.000 0.956 232 T CB 1.065 69.928 68.868 -0.008 0.000 0.936 232 T HN -0.421 nan 8.240 nan 0.000 0.463 233 P HA 0.170 nan 4.420 nan 0.000 0.264 233 P C -0.559 176.477 177.300 -0.440 0.000 1.193 233 P CA -0.112 62.730 63.100 -0.430 0.000 0.763 233 P CB 0.401 31.729 31.700 -0.621 0.000 0.810 234 D N 2.513 122.653 120.400 -0.433 0.000 2.434 234 D HA 0.210 4.853 4.640 0.006 0.000 0.275 234 D C 0.046 176.227 176.300 -0.198 0.000 1.172 234 D CA -0.478 53.379 54.000 -0.238 0.000 0.916 234 D CB -0.397 40.320 40.800 -0.137 0.000 1.041 234 D HN 0.066 nan 8.370 nan 0.000 0.501 235 F N 0.944 120.902 119.950 0.015 0.000 2.664 235 F HA 0.034 4.563 4.527 0.003 0.000 0.297 235 F C 1.903 177.728 175.800 0.041 0.000 1.164 235 F CA 0.667 58.685 58.000 0.030 0.000 1.472 235 F CB -0.063 38.961 39.000 0.040 0.000 1.108 235 F HN 0.407 nan 8.300 nan 0.000 0.596 236 E N -0.443 119.850 120.200 0.156 0.000 2.400 236 E HA -0.033 4.320 4.350 0.006 0.000 0.195 236 E C 1.852 178.506 176.600 0.091 0.000 1.012 236 E CA 0.192 56.664 56.400 0.120 0.000 0.875 236 E CB 0.114 29.869 29.700 0.090 0.000 0.859 236 E HN 0.210 nan 8.360 nan 0.000 0.498 237 K N 0.520 120.952 120.400 0.053 0.000 2.379 237 K HA 0.109 4.433 4.320 0.006 0.000 0.194 237 K C 1.621 178.250 176.600 0.049 0.000 1.031 237 K CA 0.173 56.478 56.287 0.031 0.000 1.037 237 K CB 0.349 32.833 32.500 -0.028 0.000 0.824 237 K HN 0.194 nan 8.250 nan 0.000 0.516 238 L N 0.511 121.787 121.223 0.089 0.000 2.700 238 L HA -0.060 4.283 4.340 0.006 0.000 0.240 238 L C 1.651 178.788 176.870 0.445 0.000 1.162 238 L CA 0.641 55.594 54.840 0.189 0.000 0.874 238 L CB -0.255 41.956 42.059 0.252 0.000 1.001 238 L HN -0.081 nan 8.230 nan 0.000 0.447 239 K N -0.370 120.205 120.400 0.292 0.000 2.360 239 K HA 0.048 4.372 4.320 0.006 0.000 0.196 239 K C 0.205 176.952 176.600 0.246 0.000 1.049 239 K CA -0.016 56.427 56.287 0.260 0.000 1.049 239 K CB 0.275 32.872 32.500 0.162 0.000 0.881 239 K HN 0.013 nan 8.250 nan 0.000 0.542 240 D N 0.324 120.866 120.400 0.237 0.000 2.325 240 D HA 0.093 4.737 4.640 0.006 0.000 0.251 240 D C -1.922 174.558 176.300 0.300 0.000 1.196 240 D CA -2.269 51.850 54.000 0.199 0.000 0.866 240 D CB 1.515 42.386 40.800 0.119 0.000 1.101 240 D HN -0.110 nan 8.370 nan 0.000 0.476 241 P HA -0.038 nan 4.420 nan 0.000 0.218 241 P C 1.374 178.767 177.300 0.155 0.000 1.148 241 P CA 1.025 64.275 63.100 0.250 0.000 0.822 241 P CB 0.166 31.980 31.700 0.190 0.000 0.784 242 G N -0.189 108.664 108.800 0.090 0.000 2.442 242 G HA2 -0.245 3.718 3.960 0.006 0.000 0.219 242 G HA3 -0.245 3.718 3.960 0.006 0.000 0.219 242 G C 1.582 176.428 174.900 -0.089 0.000 1.141 242 G CA 0.847 45.882 45.100 -0.109 0.000 0.763 242 G HN 0.172 nan 8.290 nan 0.000 0.554 243 V N -0.487 119.425 119.914 -0.003 0.000 2.307 243 V HA -0.147 3.977 4.120 0.006 0.000 0.245 243 V C 2.444 178.488 176.094 -0.083 0.000 1.045 243 V CA 1.706 63.977 62.300 -0.048 0.000 1.024 243 V CB -0.742 30.997 31.823 -0.140 0.000 0.651 243 V HN 0.564 nan 8.190 nan 0.000 0.449 244 W N 0.049 121.328 121.300 -0.034 0.000 2.335 244 W HA -0.139 4.525 4.660 0.007 0.000 0.311 244 W C 2.363 178.850 176.519 -0.053 0.000 1.213 244 W CA 1.270 58.599 57.345 -0.027 0.000 1.274 244 W CB -0.559 28.878 29.460 -0.038 0.000 1.148 244 W HN 0.149 nan 8.180 nan 0.000 0.498 245 I N 0.032 120.627 120.570 0.042 0.000 2.208 245 I HA -0.335 3.839 4.170 0.006 0.000 0.245 245 I C 2.563 178.582 176.117 -0.164 0.000 1.097 245 I CA 1.424 62.590 61.300 -0.225 0.000 1.363 245 I CB -1.008 36.578 38.000 -0.690 0.000 1.051 245 I HN -0.010 nan 8.210 nan 0.000 0.413 246 A N 0.756 123.527 122.820 -0.080 0.000 1.877 246 A HA -0.145 4.178 4.320 0.006 0.000 0.216 246 A C 2.558 180.339 177.584 0.329 0.000 1.186 246 A CA 1.851 53.938 52.037 0.084 0.000 0.620 246 A CB -0.833 18.238 19.000 0.117 0.000 0.822 246 A HN 0.426 nan 8.150 nan 0.000 0.443 247 A N -0.615 122.365 122.820 0.267 0.000 1.877 247 A HA -0.005 4.318 4.320 0.006 0.000 0.216 247 A C 2.234 179.976 177.584 0.262 0.000 1.186 247 A CA 1.828 53.937 52.037 0.120 0.000 0.620 247 A CB -0.977 17.820 19.000 -0.338 0.000 0.822 247 A HN 0.399 nan 8.150 nan 0.000 0.443 248 V N -0.037 120.053 119.914 0.294 0.000 2.358 248 V HA -0.162 3.961 4.120 0.006 0.000 0.246 248 V C 2.803 179.210 176.094 0.522 0.000 1.047 248 V CA 1.881 64.432 62.300 0.419 0.000 1.035 248 V CB -1.408 30.717 31.823 0.504 0.000 0.658 248 V HN 0.623 nan 8.190 nan 0.000 0.452 249 G N -0.782 108.274 108.800 0.427 0.000 2.418 249 G HA2 -0.352 3.611 3.960 0.006 0.000 0.217 249 G HA3 -0.352 3.611 3.960 0.006 0.000 0.217 249 G C 1.530 176.736 174.900 0.512 0.000 1.158 249 G CA 1.126 46.503 45.100 0.461 0.000 0.771 249 G HN 0.510 nan 8.290 nan 0.000 0.545 250 Q N 0.170 120.255 119.800 0.474 0.000 2.079 250 Q HA -0.004 4.339 4.340 0.006 0.000 0.200 250 Q C 2.442 178.758 176.000 0.526 0.000 0.974 250 Q CA 0.827 56.944 55.803 0.524 0.000 0.840 250 Q CB -0.337 28.785 28.738 0.641 0.000 0.898 250 Q HN 0.355 nan 8.270 nan 0.000 0.430 251 I N 0.144 120.960 120.570 0.411 0.000 2.163 251 I HA -0.255 3.918 4.170 0.006 0.000 0.243 251 I C 1.925 178.176 176.117 0.225 0.000 1.085 251 I CA 1.387 62.806 61.300 0.199 0.000 1.347 251 I CB -1.123 36.893 38.000 0.028 0.000 1.044 251 I HN 0.216 nan 8.210 nan 0.000 0.408 252 F N 0.288 120.410 119.950 0.287 0.000 2.051 252 F HA -0.271 4.259 4.527 0.006 0.000 0.296 252 F C 2.554 178.578 175.800 0.373 0.000 1.122 252 F CA 1.907 60.096 58.000 0.315 0.000 1.201 252 F CB -0.918 38.301 39.000 0.364 0.000 0.978 252 F HN -0.074 nan 8.300 nan 0.000 0.472 253 F N 0.068 120.353 119.950 0.558 0.000 2.126 253 F HA -0.268 4.263 4.527 0.006 0.000 0.299 253 F C 2.674 178.591 175.800 0.195 0.000 1.096 253 F CA 2.102 60.400 58.000 0.498 0.000 1.255 253 F CB -0.759 38.517 39.000 0.459 0.000 0.997 253 F HN -0.086 nan 8.300 nan 0.000 0.479 254 T N 0.098 114.907 114.554 0.425 0.000 2.777 254 T HA -0.111 4.243 4.350 0.006 0.000 0.266 254 T C 1.806 176.515 174.700 0.014 0.000 1.040 254 T CA 1.465 63.709 62.100 0.239 0.000 1.141 254 T CB -0.317 68.710 68.868 0.265 0.000 0.868 254 T HN 0.241 nan 8.240 nan 0.000 0.444 255 L N 0.632 121.850 121.223 -0.008 0.000 2.591 255 L HA 0.239 4.583 4.340 0.006 0.000 0.228 255 L C 1.126 177.862 176.870 -0.223 0.000 1.133 255 L CA 0.063 54.852 54.840 -0.085 0.000 0.880 255 L CB -0.027 42.001 42.059 -0.051 0.000 1.033 255 L HN 0.168 nan 8.230 nan 0.000 0.450 256 S N 0.169 115.597 115.700 -0.453 0.000 3.586 256 S HA -0.149 4.324 4.470 0.006 0.000 0.309 256 S C 0.340 174.702 174.600 -0.397 0.000 1.195 256 S CA 0.313 57.925 58.200 -0.979 0.000 0.895 256 S CB -1.680 61.053 63.200 -0.778 0.000 0.983 256 S HN 0.286 nan 8.310 nan 0.000 0.563 257 L N 0.614 121.859 121.223 0.036 0.000 2.349 257 L HA 0.534 4.878 4.340 0.006 0.000 0.275 257 L C 1.529 178.871 176.870 0.787 0.000 1.115 257 L CA 0.624 55.643 54.840 0.298 0.000 0.820 257 L CB 0.690 42.751 42.059 0.004 0.000 1.135 257 L HN 0.444 nan 8.230 nan 0.000 0.445 258 G N 2.049 111.249 108.800 0.668 0.000 2.176 258 G HA2 -0.309 3.654 3.960 0.006 0.000 0.253 258 G HA3 -0.309 3.654 3.960 0.006 0.000 0.253 258 G C 0.447 175.636 174.900 0.482 0.000 0.979 258 G CA 0.142 45.651 45.100 0.683 0.000 0.641 258 G HN 0.604 nan 8.290 nan 0.000 0.530 259 F N 0.636 120.680 119.950 0.156 0.000 2.776 259 F HA 0.364 4.894 4.527 0.006 0.000 0.300 259 F C 2.240 178.025 175.800 -0.025 0.000 1.116 259 F CA 0.615 58.613 58.000 -0.003 0.000 1.375 259 F CB 0.582 39.517 39.000 -0.108 0.000 1.109 259 F HN 0.583 nan 8.300 nan 0.000 0.585 260 G N 0.738 109.698 108.800 0.267 0.000 2.196 260 G HA2 -0.397 3.567 3.960 0.006 0.000 0.268 260 G HA3 -0.397 3.567 3.960 0.006 0.000 0.268 260 G C 1.172 176.121 174.900 0.082 0.000 0.975 260 G CA 0.523 45.729 45.100 0.176 0.000 0.648 260 G HN 0.508 nan 8.290 nan 0.000 0.538 261 A N -0.036 122.811 122.820 0.044 0.000 1.903 261 A HA 0.423 4.746 4.320 0.006 0.000 0.213 261 A C 2.315 179.778 177.584 -0.202 0.000 1.185 261 A CA 1.603 53.572 52.037 -0.113 0.000 0.628 261 A CB -0.200 18.661 19.000 -0.231 0.000 0.830 261 A HN 0.434 nan 8.150 nan 0.000 0.446 262 I N 0.451 120.918 120.570 -0.172 0.000 2.226 262 I HA -0.224 3.950 4.170 0.006 0.000 0.245 262 I C 2.381 178.402 176.117 -0.161 0.000 1.100 262 I CA 1.280 62.451 61.300 -0.216 0.000 1.374 262 I CB -1.115 36.799 38.000 -0.143 0.000 1.057 262 I HN 0.308 nan 8.210 nan 0.000 0.413 263 I N 0.505 121.046 120.570 -0.048 0.000 2.142 263 I HA -0.304 3.869 4.170 0.006 0.000 0.240 263 I C 2.495 178.605 176.117 -0.012 0.000 1.078 263 I CA 1.635 62.923 61.300 -0.019 0.000 1.343 263 I CB -0.678 37.352 38.000 0.050 0.000 1.046 263 I HN 0.190 nan 8.210 nan 0.000 0.405 264 T N -0.181 114.396 114.554 0.038 0.000 2.746 264 T HA -0.191 4.162 4.350 0.006 0.000 0.267 264 T C 1.834 176.654 174.700 0.199 0.000 1.039 264 T CA 1.354 63.498 62.100 0.073 0.000 1.142 264 T CB -0.339 68.619 68.868 0.150 0.000 0.866 264 T HN 0.172 nan 8.240 nan 0.000 0.444 265 Y N 1.542 121.897 120.300 0.091 0.000 2.145 265 Y HA 0.018 4.572 4.550 0.006 0.000 0.286 265 Y C 2.713 178.771 175.900 0.264 0.000 1.145 265 Y CA 0.214 58.505 58.100 0.319 0.000 1.148 265 Y CB -1.125 37.422 38.460 0.145 0.000 0.981 265 Y HN 0.208 nan 8.280 nan 0.000 0.507 266 A N -0.620 122.229 122.820 0.047 0.000 2.067 266 A HA -0.144 4.180 4.320 0.006 0.000 0.219 266 A C 2.334 179.927 177.584 0.015 0.000 1.158 266 A CA 1.585 53.571 52.037 -0.085 0.000 0.661 266 A CB -1.000 17.839 19.000 -0.267 0.000 0.801 266 A HN 0.458 nan 8.150 nan 0.000 0.452 267 S N -1.665 113.957 115.700 -0.130 0.000 2.595 267 S HA -0.071 4.403 4.470 0.006 0.000 0.235 267 S C 1.028 175.351 174.600 -0.461 0.000 0.974 267 S CA 0.831 58.849 58.200 -0.303 0.000 0.942 267 S CB -0.656 62.281 63.200 -0.438 0.000 0.766 267 S HN 0.584 nan 8.310 nan 0.000 0.536 268 Y N 0.694 120.999 120.300 0.008 0.000 2.467 268 Y HA 0.470 5.024 4.550 0.006 0.000 0.250 268 Y C 0.527 176.529 175.900 0.170 0.000 1.155 268 Y CA -0.915 57.084 58.100 -0.169 0.000 1.249 268 Y CB 0.134 38.171 38.460 -0.706 0.000 1.146 268 Y HN 0.088 nan 8.280 nan 0.000 0.524 269 V N 2.367 122.540 119.914 0.431 0.000 2.530 269 V HA 0.153 4.276 4.120 0.006 0.000 0.282 269 V C 0.606 176.889 176.094 0.316 0.000 1.048 269 V CA -1.037 61.525 62.300 0.438 0.000 0.997 269 V CB 0.632 32.666 31.823 0.352 0.000 0.987 269 V HN 0.228 nan 8.190 nan 0.000 0.477 270 R N 3.052 123.690 120.500 0.230 0.000 2.698 270 R HA 0.013 4.356 4.340 0.006 0.000 0.266 270 R C 1.609 177.955 176.300 0.078 0.000 1.026 270 R CA -0.103 56.024 56.100 0.046 0.000 1.102 270 R CB 0.451 30.680 30.300 -0.119 0.000 0.978 270 R HN 0.697 nan 8.270 nan 0.000 0.436 271 K N 2.040 122.470 120.400 0.050 0.000 2.173 271 K HA -0.231 4.092 4.320 0.006 0.000 0.207 271 K C 0.854 177.491 176.600 0.062 0.000 1.046 271 K CA 2.272 58.595 56.287 0.060 0.000 0.929 271 K CB 0.082 32.602 32.500 0.033 0.000 0.720 271 K HN 0.701 nan 8.250 nan 0.000 0.453 272 D N -0.531 119.893 120.400 0.039 0.000 2.366 272 D HA -0.107 4.537 4.640 0.006 0.000 0.205 272 D C 0.429 176.755 176.300 0.043 0.000 1.022 272 D CA -0.068 53.953 54.000 0.034 0.000 0.868 272 D CB -0.164 40.644 40.800 0.013 0.000 0.953 272 D HN 0.280 nan 8.370 nan 0.000 0.514 273 Q N 1.581 121.418 119.800 0.062 0.000 2.361 273 Q HA 0.020 4.364 4.340 0.006 0.000 0.276 273 Q C -0.514 175.540 176.000 0.091 0.000 1.022 273 Q CA -0.220 55.630 55.803 0.079 0.000 0.898 273 Q CB 0.813 29.620 28.738 0.115 0.000 1.246 273 Q HN 0.069 nan 8.270 nan 0.000 0.410 274 D N 2.394 122.830 120.400 0.061 0.000 2.443 274 D HA -0.020 4.624 4.640 0.006 0.000 0.239 274 D C 0.672 177.014 176.300 0.068 0.000 1.136 274 D CA 0.399 54.416 54.000 0.028 0.000 0.879 274 D CB 0.479 41.270 40.800 -0.014 0.000 1.195 274 D HN 0.579 nan 8.370 nan 0.000 0.443 275 I N 0.140 120.721 120.570 0.018 0.000 4.526 275 I HA 0.104 4.278 4.170 0.006 0.000 0.330 275 I C 0.821 176.798 176.117 -0.234 0.000 1.323 275 I CA -0.481 60.821 61.300 0.004 0.000 1.218 275 I CB 0.235 38.406 38.000 0.286 0.000 1.233 275 I HN 0.279 nan 8.210 nan 0.000 0.430 276 V N 1.670 121.452 119.914 -0.219 0.000 2.255 276 V HA -0.195 3.928 4.120 0.006 0.000 0.243 276 V C 2.462 178.525 176.094 -0.051 0.000 1.038 276 V CA 2.063 64.180 62.300 -0.305 0.000 1.008 276 V CB -0.464 31.080 31.823 -0.465 0.000 0.645 276 V HN 0.454 nan 8.190 nan 0.000 0.449 277 L N -0.064 121.092 121.223 -0.110 0.000 2.109 277 L HA -0.040 4.304 4.340 0.006 0.000 0.207 277 L C 2.478 179.262 176.870 -0.143 0.000 1.086 277 L CA 1.871 56.668 54.840 -0.072 0.000 0.760 277 L CB -0.616 41.405 42.059 -0.063 0.000 0.910 277 L HN 0.253 nan 8.230 nan 0.000 0.437 278 S N -0.137 115.420 115.700 -0.239 0.000 2.356 278 S HA -0.113 4.360 4.470 0.006 0.000 0.223 278 S C 1.908 176.093 174.600 -0.690 0.000 1.032 278 S CA 1.148 59.141 58.200 -0.344 0.000 1.005 278 S CB -1.035 62.011 63.200 -0.256 0.000 0.867 278 S HN 0.679 nan 8.310 nan 0.000 0.449 279 G N 1.797 109.884 108.800 -1.188 0.000 2.459 279 G HA2 -0.195 3.769 3.960 0.006 0.000 0.217 279 G HA3 -0.195 3.769 3.960 0.006 0.000 0.217 279 G C 1.404 175.954 174.900 -0.583 0.000 1.183 279 G CA 1.026 45.295 45.100 -1.385 0.000 0.776 279 G HN 0.410 nan 8.290 nan 0.000 0.552 280 L N 0.975 122.003 121.223 -0.324 0.000 2.042 280 L HA -0.035 4.309 4.340 0.006 0.000 0.210 280 L C 2.952 179.736 176.870 -0.143 0.000 1.076 280 L CA 2.615 57.312 54.840 -0.238 0.000 0.749 280 L CB -0.917 41.144 42.059 0.003 0.000 0.893 280 L HN 0.218 nan 8.230 nan 0.000 0.432 281 T N -0.239 114.239 114.554 -0.125 0.000 2.708 281 T HA -0.158 4.196 4.350 0.006 0.000 0.266 281 T C 1.918 176.581 174.700 -0.062 0.000 1.037 281 T CA 1.396 63.450 62.100 -0.078 0.000 1.146 281 T CB -0.605 68.219 68.868 -0.074 0.000 0.865 281 T HN 0.523 nan 8.240 nan 0.000 0.435 282 A N 1.500 124.285 122.820 -0.059 0.000 1.908 282 A HA 0.092 4.416 4.320 0.006 0.000 0.218 282 A C 2.635 180.218 177.584 -0.001 0.000 1.181 282 A CA 1.962 54.008 52.037 0.014 0.000 0.627 282 A CB -1.117 17.981 19.000 0.164 0.000 0.818 282 A HN 0.519 nan 8.150 nan 0.000 0.445 283 A N -1.244 121.559 122.820 -0.027 0.000 1.898 283 A HA -0.051 4.272 4.320 0.006 0.000 0.216 283 A C 2.296 179.901 177.584 0.036 0.000 1.181 283 A CA 2.204 54.252 52.037 0.019 0.000 0.620 283 A CB -1.139 17.849 19.000 -0.019 0.000 0.819 283 A HN 0.427 nan 8.150 nan 0.000 0.442 284 T N 0.412 114.978 114.554 0.020 0.000 2.821 284 T HA -0.025 4.329 4.350 0.006 0.000 0.267 284 T C 1.806 176.467 174.700 -0.064 0.000 1.046 284 T CA 1.222 63.315 62.100 -0.012 0.000 1.139 284 T CB -0.347 68.526 68.868 0.009 0.000 0.871 284 T HN 0.346 nan 8.240 nan 0.000 0.454 285 L N 1.223 122.414 121.223 -0.053 0.000 2.012 285 L HA -0.175 4.168 4.340 0.006 0.000 0.210 285 L C 2.612 179.446 176.870 -0.061 0.000 1.073 285 L CA 1.481 56.286 54.840 -0.059 0.000 0.748 285 L CB -0.574 41.452 42.059 -0.056 0.000 0.891 285 L HN 0.297 nan 8.230 nan 0.000 0.431 286 N N -0.330 118.331 118.700 -0.064 0.000 2.084 286 N HA -0.215 4.528 4.740 0.006 0.000 0.190 286 N C 1.803 177.229 175.510 -0.141 0.000 1.030 286 N CA 1.229 54.230 53.050 -0.082 0.000 0.849 286 N CB 0.090 38.538 38.487 -0.065 0.000 1.012 286 N HN 0.152 nan 8.380 nan 0.000 0.423 287 E N 0.665 120.745 120.200 -0.200 0.000 2.110 287 E HA -0.162 4.191 4.350 0.006 0.000 0.193 287 E C 1.802 178.288 176.600 -0.190 0.000 0.988 287 E CA 0.979 57.210 56.400 -0.282 0.000 0.804 287 E CB -0.172 29.199 29.700 -0.547 0.000 0.745 287 E HN 0.529 nan 8.360 nan 0.000 0.458 288 K N 0.576 120.902 120.400 -0.123 0.000 2.025 288 K HA -0.030 4.293 4.320 0.006 0.000 0.207 288 K C 2.183 178.763 176.600 -0.034 0.000 1.049 288 K CA 1.179 57.436 56.287 -0.051 0.000 0.933 288 K CB -0.176 32.316 32.500 -0.013 0.000 0.714 288 K HN 0.054 nan 8.250 nan 0.000 0.438 289 A N 1.347 124.141 122.820 -0.042 0.000 2.019 289 A HA -0.237 4.087 4.320 0.006 0.000 0.219 289 A C 2.037 179.471 177.584 -0.250 0.000 1.164 289 A CA 1.785 53.796 52.037 -0.043 0.000 0.644 289 A CB -0.347 18.647 19.000 -0.009 0.000 0.805 289 A HN 0.418 nan 8.150 nan 0.000 0.449 290 E N -0.272 119.736 120.200 -0.320 0.000 2.030 290 E HA -0.090 4.264 4.350 0.006 0.000 0.189 290 E C 1.953 178.160 176.600 -0.655 0.000 0.974 290 E CA 1.517 57.581 56.400 -0.559 0.000 0.807 290 E CB -0.113 29.245 29.700 -0.569 0.000 0.771 290 E HN 0.447 nan 8.360 nan 0.000 0.451 291 V N -0.944 118.699 119.914 -0.452 0.000 2.649 291 V HA -0.001 4.123 4.120 0.006 0.000 0.248 291 V C 2.054 178.262 176.094 0.190 0.000 1.054 291 V CA 1.098 63.288 62.300 -0.184 0.000 1.073 291 V CB -0.372 31.528 31.823 0.128 0.000 0.699 291 V HN 0.259 nan 8.190 nan 0.000 0.463 292 I N -0.578 120.052 120.570 0.100 0.000 2.556 292 I HA 0.049 4.223 4.170 0.006 0.000 0.251 292 I C 2.373 178.571 176.117 0.136 0.000 1.105 292 I CA 0.993 62.385 61.300 0.153 0.000 1.436 292 I CB -0.021 38.037 38.000 0.098 0.000 1.139 292 I HN 0.233 nan 8.210 nan 0.000 0.438 293 L N 0.183 121.456 121.223 0.084 0.000 2.116 293 L HA 0.131 4.474 4.340 0.006 0.000 0.200 293 L C 2.706 179.680 176.870 0.173 0.000 1.084 293 L CA 1.309 56.233 54.840 0.140 0.000 0.766 293 L CB -1.316 40.878 42.059 0.226 0.000 0.930 293 L HN 0.212 nan 8.230 nan 0.000 0.453 294 G N 0.021 108.803 108.800 -0.030 0.000 2.440 294 G HA2 -0.222 3.741 3.960 0.006 0.000 0.218 294 G HA3 -0.222 3.741 3.960 0.006 0.000 0.218 294 G C 1.542 176.548 174.900 0.177 0.000 1.154 294 G CA 0.863 45.952 45.100 -0.018 0.000 0.767 294 G HN 0.505 nan 8.290 nan 0.000 0.552 295 G N -0.060 108.839 108.800 0.164 0.000 2.443 295 G HA2 0.004 3.968 3.960 0.006 0.000 0.219 295 G HA3 0.004 3.968 3.960 0.006 0.000 0.219 295 G C 1.764 176.811 174.900 0.245 0.000 1.131 295 G CA 1.182 46.463 45.100 0.302 0.000 0.775 295 G HN 0.426 nan 8.290 nan 0.000 0.547 296 S N -0.249 115.586 115.700 0.224 0.000 2.556 296 S HA 0.321 4.795 4.470 0.006 0.000 0.216 296 S C 1.659 176.305 174.600 0.076 0.000 0.970 296 S CA -0.299 58.035 58.200 0.224 0.000 0.912 296 S CB 0.177 63.511 63.200 0.224 0.000 0.790 296 S HN 0.356 nan 8.310 nan 0.000 0.504 297 I N 0.160 120.769 120.570 0.065 0.000 3.325 297 I HA 0.008 4.182 4.170 0.006 0.000 0.237 297 I C 2.172 178.219 176.117 -0.117 0.000 1.068 297 I CA 0.402 61.679 61.300 -0.039 0.000 1.511 297 I CB -0.548 37.458 38.000 0.009 0.000 1.409 297 I HN 0.113 nan 8.210 nan 0.000 0.464 298 S N 1.447 117.067 115.700 -0.134 0.000 2.343 298 S HA -0.100 4.373 4.470 0.006 0.000 0.219 298 S C 2.035 176.565 174.600 -0.117 0.000 1.033 298 S CA 1.198 59.267 58.200 -0.219 0.000 1.014 298 S CB -0.229 62.888 63.200 -0.138 0.000 0.915 298 S HN 0.215 nan 8.310 nan 0.000 0.435 299 I N 2.215 122.769 120.570 -0.027 0.000 2.099 299 I HA -0.103 4.071 4.170 0.006 0.000 0.239 299 I C -0.809 175.334 176.117 0.044 0.000 1.066 299 I CA 1.488 62.796 61.300 0.013 0.000 1.324 299 I CB -2.796 35.244 38.000 0.068 0.000 1.037 299 I HN 0.183 nan 8.210 nan 0.000 0.401 300 P HA -0.110 nan 4.420 nan 0.000 0.216 300 P C 1.663 179.023 177.300 0.100 0.000 1.150 300 P CA 1.965 65.146 63.100 0.136 0.000 0.837 300 P CB -0.032 31.814 31.700 0.243 0.000 0.786 301 A N -0.035 122.803 122.820 0.031 0.000 1.902 301 A HA -0.092 4.232 4.320 0.006 0.000 0.217 301 A C 2.327 179.906 177.584 -0.008 0.000 1.181 301 A CA 2.098 54.123 52.037 -0.020 0.000 0.623 301 A CB -1.571 17.318 19.000 -0.185 0.000 0.818 301 A HN 0.197 nan 8.150 nan 0.000 0.443 302 A N -0.624 122.190 122.820 -0.010 0.000 1.898 302 A HA 0.031 4.354 4.320 0.006 0.000 0.216 302 A C 2.200 179.908 177.584 0.208 0.000 1.181 302 A CA 1.712 53.822 52.037 0.121 0.000 0.620 302 A CB -0.893 18.120 19.000 0.023 0.000 0.819 302 A HN 0.392 nan 8.150 nan 0.000 0.442 303 V N -0.053 119.917 119.914 0.093 0.000 2.427 303 V HA -0.217 3.907 4.120 0.006 0.000 0.248 303 V C 3.012 179.153 176.094 0.078 0.000 1.051 303 V CA 1.735 64.070 62.300 0.058 0.000 1.048 303 V CB -1.188 30.637 31.823 0.003 0.000 0.666 303 V HN 0.605 nan 8.190 nan 0.000 0.456 304 A N -0.540 122.350 122.820 0.117 0.000 1.902 304 A HA -0.175 4.149 4.320 0.006 0.000 0.217 304 A C 1.978 179.586 177.584 0.040 0.000 1.181 304 A CA 1.872 53.973 52.037 0.107 0.000 0.623 304 A CB -0.571 18.548 19.000 0.199 0.000 0.818 304 A HN 0.483 nan 8.150 nan 0.000 0.443 305 F N -2.701 117.119 119.950 -0.217 0.000 2.473 305 F HA 0.231 4.762 4.527 0.007 0.000 0.294 305 F C 1.370 176.791 175.800 -0.633 0.000 1.103 305 F CA 0.553 58.258 58.000 -0.491 0.000 1.442 305 F CB 0.038 38.588 39.000 -0.751 0.000 1.097 305 F HN 0.213 nan 8.300 nan 0.000 0.547 306 F N -0.846 119.161 119.950 0.095 0.000 2.789 306 F HA 0.499 5.029 4.527 0.005 0.000 0.320 306 F C 1.200 176.981 175.800 -0.032 0.000 1.079 306 F CA 0.196 58.206 58.000 0.018 0.000 1.205 306 F CB -0.128 38.870 39.000 -0.004 0.000 1.046 306 F HN -0.092 nan 8.300 nan 0.000 0.586 307 G N 0.587 109.448 108.800 0.101 0.000 2.730 307 G HA2 -0.161 3.803 3.960 0.006 0.000 0.686 307 G HA3 -0.161 3.803 3.960 0.006 0.000 0.686 307 G C 0.497 175.369 174.900 -0.048 0.000 1.343 307 G CA -0.581 44.527 45.100 0.012 0.000 0.826 307 G HN -0.036 nan 8.290 nan 0.000 0.582 308 V N 1.404 121.236 119.914 -0.136 0.000 2.255 308 V HA -0.142 3.981 4.120 0.006 0.000 0.247 308 V C 3.483 179.397 176.094 -0.301 0.000 1.051 308 V CA 3.656 65.763 62.300 -0.321 0.000 1.018 308 V CB -1.453 30.146 31.823 -0.374 0.000 0.641 308 V HN 1.917 nan 8.190 nan 0.000 0.445 309 A N 0.297 123.008 122.820 -0.182 0.000 1.892 309 A HA -0.281 4.043 4.320 0.006 0.000 0.218 309 A C 2.080 179.588 177.584 -0.127 0.000 1.188 309 A CA 2.326 54.279 52.037 -0.140 0.000 0.631 309 A CB -0.745 18.207 19.000 -0.080 0.000 0.822 309 A HN 0.612 nan 8.150 nan 0.000 0.447 310 N N 0.105 118.752 118.700 -0.088 0.000 2.188 310 N HA -0.062 4.681 4.740 0.006 0.000 0.184 310 N C 1.913 177.326 175.510 -0.162 0.000 1.018 310 N CA 1.449 54.443 53.050 -0.094 0.000 0.858 310 N CB -0.564 37.923 38.487 -0.000 0.000 0.989 310 N HN 0.473 nan 8.380 nan 0.000 0.426 311 A N 0.776 123.511 122.820 -0.141 0.000 1.902 311 A HA -0.081 4.242 4.320 0.006 0.000 0.217 311 A C 2.509 179.976 177.584 -0.195 0.000 1.181 311 A CA 1.240 53.178 52.037 -0.165 0.000 0.623 311 A CB -0.751 18.160 19.000 -0.147 0.000 0.818 311 A HN 0.101 nan 8.150 nan 0.000 0.443 312 V N -0.218 119.562 119.914 -0.224 0.000 2.343 312 V HA -0.243 3.881 4.120 0.006 0.000 0.247 312 V C 3.044 179.056 176.094 -0.137 0.000 1.051 312 V CA 1.925 64.118 62.300 -0.179 0.000 1.036 312 V CB -1.157 30.560 31.823 -0.178 0.000 0.654 312 V HN 0.620 nan 8.190 nan 0.000 0.451 313 A N -0.198 122.540 122.820 -0.137 0.000 1.902 313 A HA -0.157 4.166 4.320 0.006 0.000 0.217 313 A C 2.177 179.684 177.584 -0.128 0.000 1.181 313 A CA 1.789 53.756 52.037 -0.116 0.000 0.623 313 A CB -0.509 18.426 19.000 -0.108 0.000 0.818 313 A HN 0.501 nan 8.150 nan 0.000 0.443 314 I N -0.223 120.245 120.570 -0.171 0.000 2.142 314 I HA -0.307 3.867 4.170 0.006 0.000 0.240 314 I C 3.012 179.052 176.117 -0.128 0.000 1.078 314 I CA 1.148 62.341 61.300 -0.179 0.000 1.343 314 I CB -0.384 37.457 38.000 -0.266 0.000 1.046 314 I HN 0.362 nan 8.210 nan 0.000 0.405 315 A N 0.775 123.516 122.820 -0.131 0.000 1.908 315 A HA -0.247 4.076 4.320 0.006 0.000 0.218 315 A C 2.293 179.811 177.584 -0.111 0.000 1.181 315 A CA 1.796 53.761 52.037 -0.119 0.000 0.627 315 A CB -0.515 18.405 19.000 -0.133 0.000 0.818 315 A HN 0.351 nan 8.150 nan 0.000 0.445 316 K N -0.343 119.994 120.400 -0.105 0.000 2.211 316 K HA 0.009 4.332 4.320 0.006 0.000 0.203 316 K C 2.249 178.806 176.600 -0.072 0.000 1.050 316 K CA 0.797 57.030 56.287 -0.091 0.000 0.945 316 K CB -0.306 32.146 32.500 -0.080 0.000 0.732 316 K HN 0.465 nan 8.250 nan 0.000 0.451 317 A N 1.518 124.298 122.820 -0.066 0.000 1.865 317 A HA -0.056 4.268 4.320 0.006 0.000 0.217 317 A C 1.263 178.835 177.584 -0.019 0.000 1.191 317 A CA 1.878 53.891 52.037 -0.039 0.000 0.623 317 A CB -0.450 18.526 19.000 -0.040 0.000 0.826 317 A HN 0.417 nan 8.150 nan 0.000 0.444 318 G N -4.755 104.031 108.800 -0.024 0.000 2.721 318 G HA2 0.539 4.503 3.960 0.006 0.000 0.296 318 G HA3 0.539 4.503 3.960 0.006 0.000 0.296 318 G C 0.325 175.171 174.900 -0.090 0.000 1.383 318 G CA 0.206 45.295 45.100 -0.019 0.000 0.788 318 G HN 0.746 nan 8.290 nan 0.000 0.500 319 A N -1.230 121.469 122.820 -0.201 0.000 2.115 319 A HA 0.478 4.801 4.320 0.006 0.000 0.211 319 A C 1.203 178.553 177.584 -0.391 0.000 1.169 319 A CA 0.795 52.586 52.037 -0.411 0.000 0.787 319 A CB -0.120 18.462 19.000 -0.697 0.000 0.858 319 A HN 0.444 nan 8.150 nan 0.000 0.474 320 F N -0.112 119.950 119.950 0.187 0.000 2.678 320 F HA 0.237 4.768 4.527 0.006 0.000 0.305 320 F C 1.665 177.663 175.800 0.330 0.000 1.090 320 F CA -0.562 57.646 58.000 0.346 0.000 1.272 320 F CB -0.554 38.643 39.000 0.327 0.000 1.060 320 F HN 0.202 nan 8.300 nan 0.000 0.576 321 N N 0.538 119.417 118.700 0.299 0.000 2.084 321 N HA -0.192 4.552 4.740 0.006 0.000 0.190 321 N C 1.875 177.473 175.510 0.147 0.000 1.030 321 N CA 1.048 54.222 53.050 0.207 0.000 0.849 321 N CB -0.123 38.416 38.487 0.087 0.000 1.012 321 N HN 0.139 nan 8.380 nan 0.000 0.423 322 L N 0.873 122.145 121.223 0.081 0.000 2.017 322 L HA -0.008 4.335 4.340 0.006 0.000 0.208 322 L C 2.121 178.989 176.870 -0.003 0.000 1.073 322 L CA 1.704 56.538 54.840 -0.009 0.000 0.745 322 L CB -0.925 41.109 42.059 -0.040 0.000 0.894 322 L HN 0.105 nan 8.230 nan 0.000 0.432 323 G N -2.338 106.551 108.800 0.148 0.000 2.453 323 G HA2 -0.154 3.810 3.960 0.006 0.000 0.215 323 G HA3 -0.154 3.810 3.960 0.006 0.000 0.215 323 G C 1.147 176.120 174.900 0.121 0.000 1.147 323 G CA 0.428 45.628 45.100 0.166 0.000 0.802 323 G HN 0.409 nan 8.290 nan 0.000 0.535 324 F N -0.620 119.543 119.950 0.355 0.000 2.717 324 F HA 0.474 5.004 4.527 0.006 0.000 0.297 324 F C 1.926 178.001 175.800 0.459 0.000 1.113 324 F CA -0.016 58.235 58.000 0.419 0.000 1.319 324 F CB 0.518 39.631 39.000 0.187 0.000 1.097 324 F HN 0.040 nan 8.300 nan 0.000 0.595 325 I N -2.055 118.767 120.570 0.419 0.000 3.650 325 I HA -0.054 4.119 4.170 0.006 0.000 0.261 325 I C 1.963 178.106 176.117 0.043 0.000 1.154 325 I CA 0.546 62.032 61.300 0.310 0.000 1.418 325 I CB -0.321 37.838 38.000 0.265 0.000 1.539 325 I HN -0.210 nan 8.210 nan 0.000 0.449 326 T N 1.881 116.413 114.554 -0.036 0.000 2.737 326 T HA -0.113 4.241 4.350 0.006 0.000 0.265 326 T C 1.829 176.322 174.700 -0.345 0.000 1.038 326 T CA 1.321 63.327 62.100 -0.155 0.000 1.144 326 T CB -0.214 68.562 68.868 -0.153 0.000 0.866 326 T HN 0.050 nan 8.240 nan 0.000 0.434 327 L N 2.527 123.462 121.223 -0.480 0.000 1.994 327 L HA 0.004 4.348 4.340 0.006 0.000 0.208 327 L C -0.749 175.477 176.870 -1.073 0.000 1.071 327 L CA 1.925 56.203 54.840 -0.937 0.000 0.745 327 L CB -1.280 40.035 42.059 -1.239 0.000 0.892 327 L HN 0.134 nan 8.230 nan 0.000 0.431 328 P HA -0.154 nan 4.420 nan 0.000 0.218 328 P C 1.397 178.257 177.300 -0.733 0.000 1.149 328 P CA 1.964 64.816 63.100 -0.415 0.000 0.817 328 P CB -0.141 31.619 31.700 0.100 0.000 0.785 329 A N 0.243 122.466 122.820 -0.994 0.000 1.877 329 A HA -0.153 4.170 4.320 0.006 0.000 0.216 329 A C 2.389 179.687 177.584 -0.477 0.000 1.186 329 A CA 1.402 52.847 52.037 -0.986 0.000 0.620 329 A CB -1.586 17.112 19.000 -0.503 0.000 0.822 329 A HN 0.094 nan 8.150 nan 0.000 0.443 330 I N -1.313 118.946 120.570 -0.518 0.000 2.163 330 I HA -0.258 3.916 4.170 0.006 0.000 0.243 330 I C 2.223 178.099 176.117 -0.402 0.000 1.085 330 I CA 1.285 62.171 61.300 -0.689 0.000 1.347 330 I CB -0.394 37.028 38.000 -0.964 0.000 1.044 330 I HN 0.260 nan 8.210 nan 0.000 0.408 331 F N 1.203 120.920 119.950 -0.388 0.000 2.171 331 F HA -0.200 4.330 4.527 0.005 0.000 0.300 331 F C 2.997 178.758 175.800 -0.065 0.000 1.090 331 F CA 1.348 59.223 58.000 -0.208 0.000 1.293 331 F CB -1.553 37.352 39.000 -0.158 0.000 1.013 331 F HN 0.190 nan 8.300 nan 0.000 0.486 332 S N -0.657 115.124 115.700 0.134 0.000 2.500 332 S HA -0.153 4.320 4.470 0.006 0.000 0.239 332 S C 1.429 176.121 174.600 0.152 0.000 0.989 332 S CA 0.731 59.043 58.200 0.187 0.000 0.951 332 S CB -0.373 62.989 63.200 0.269 0.000 0.759 332 S HN 0.381 nan 8.310 nan 0.000 0.523 333 Q N 1.648 121.524 119.800 0.126 0.000 2.360 333 Q HA 0.182 4.526 4.340 0.006 0.000 0.202 333 Q C 0.590 176.692 176.000 0.170 0.000 0.915 333 Q CA 0.513 56.415 55.803 0.164 0.000 0.943 333 Q CB 0.458 29.349 28.738 0.254 0.000 1.064 333 Q HN 0.855 nan 8.270 nan 0.000 0.511 334 T N -3.260 111.381 114.554 0.145 0.000 2.908 334 T HA 0.725 5.078 4.350 0.006 0.000 0.290 334 T C -0.191 174.558 174.700 0.082 0.000 1.034 334 T CA -0.820 61.349 62.100 0.115 0.000 1.010 334 T CB 2.126 71.055 68.868 0.100 0.000 1.068 334 T HN 0.080 nan 8.240 nan 0.000 0.481 335 A N 0.861 123.716 122.820 0.059 0.000 2.548 335 A HA 0.525 4.849 4.320 0.006 0.000 0.247 335 A C 1.645 179.262 177.584 0.054 0.000 1.067 335 A CA 0.327 52.394 52.037 0.050 0.000 0.757 335 A CB -1.457 17.563 19.000 0.033 0.000 0.996 335 A HN 2.453 nan 8.150 nan 0.000 0.504 336 G N 1.761 110.604 108.800 0.073 0.000 2.153 336 G HA2 -0.145 3.819 3.960 0.006 0.000 0.252 336 G HA3 -0.145 3.819 3.960 0.006 0.000 0.252 336 G C 1.192 176.185 174.900 0.155 0.000 0.994 336 G CA 0.894 46.059 45.100 0.109 0.000 0.698 336 G HN 1.841 nan 8.290 nan 0.000 0.521 337 G N -0.517 108.361 108.800 0.131 0.000 2.432 337 G HA2 -0.023 3.940 3.960 0.006 0.000 0.219 337 G HA3 -0.023 3.940 3.960 0.006 0.000 0.219 337 G C 1.644 176.714 174.900 0.282 0.000 1.135 337 G CA 2.189 47.374 45.100 0.141 0.000 0.767 337 G HN 0.628 nan 8.290 nan 0.000 0.550 338 T N 0.529 115.277 114.554 0.324 0.000 2.788 338 T HA -0.118 4.235 4.350 0.006 0.000 0.268 338 T C 1.901 176.919 174.700 0.530 0.000 1.044 338 T CA 1.027 63.397 62.100 0.450 0.000 1.139 338 T CB -0.249 68.783 68.868 0.273 0.000 0.867 338 T HN 0.262 nan 8.240 nan 0.000 0.454 339 F N 1.052 121.161 119.950 0.264 0.000 2.259 339 F HA 0.135 4.665 4.527 0.006 0.000 0.298 339 F C 1.841 177.815 175.800 0.290 0.000 1.088 339 F CA 0.325 58.493 58.000 0.279 0.000 1.358 339 F CB -0.256 38.839 39.000 0.158 0.000 1.040 339 F HN 0.008 nan 8.300 nan 0.000 0.505 340 L N 0.340 121.694 121.223 0.218 0.000 2.093 340 L HA 0.052 4.396 4.340 0.006 0.000 0.208 340 L C 2.454 179.325 176.870 0.001 0.000 1.085 340 L CA 2.025 56.825 54.840 -0.066 0.000 0.755 340 L CB -1.421 40.339 42.059 -0.499 0.000 0.904 340 L HN 0.176 nan 8.230 nan 0.000 0.435 341 G N -1.032 107.917 108.800 0.249 0.000 2.418 341 G HA2 -0.362 3.602 3.960 0.006 0.000 0.217 341 G HA3 -0.362 3.602 3.960 0.006 0.000 0.217 341 G C 1.557 176.534 174.900 0.129 0.000 1.158 341 G CA 0.862 46.093 45.100 0.219 0.000 0.771 341 G HN 0.481 nan 8.290 nan 0.000 0.545 342 F N 1.497 121.515 119.950 0.114 0.000 2.095 342 F HA -0.013 4.518 4.527 0.006 0.000 0.298 342 F C 2.359 178.136 175.800 -0.038 0.000 1.104 342 F CA 1.271 59.313 58.000 0.069 0.000 1.232 342 F CB -0.352 38.584 39.000 -0.105 0.000 0.987 342 F HN 0.063 nan 8.300 nan 0.000 0.475 343 L N -0.542 120.385 121.223 -0.492 0.000 2.083 343 L HA -0.243 4.101 4.340 0.006 0.000 0.209 343 L C 2.607 179.337 176.870 -0.233 0.000 1.083 343 L CA 1.561 56.099 54.840 -0.504 0.000 0.752 343 L CB -1.137 40.777 42.059 -0.242 0.000 0.899 343 L HN 0.539 nan 8.230 nan 0.000 0.433 344 W N 1.103 122.204 121.300 -0.331 0.000 2.353 344 W HA -0.278 4.386 4.660 0.007 0.000 0.319 344 W C 2.174 178.410 176.519 -0.472 0.000 1.207 344 W CA 1.421 58.517 57.345 -0.415 0.000 1.291 344 W CB -0.364 28.811 29.460 -0.476 0.000 1.159 344 W HN 0.057 nan 8.180 nan 0.000 0.478 345 F N -0.197 119.530 119.950 -0.372 0.000 2.234 345 F HA -0.124 4.407 4.527 0.006 0.000 0.299 345 F C 2.255 177.897 175.800 -0.264 0.000 1.087 345 F CA 1.302 59.050 58.000 -0.420 0.000 1.340 345 F CB -1.595 37.322 39.000 -0.138 0.000 1.031 345 F HN -0.154 nan 8.300 nan 0.000 0.500 346 F N 0.286 120.045 119.950 -0.319 0.000 2.146 346 F HA -0.158 4.372 4.527 0.006 0.000 0.298 346 F C 2.232 177.856 175.800 -0.293 0.000 1.096 346 F CA 0.994 58.780 58.000 -0.357 0.000 1.275 346 F CB -0.573 37.950 39.000 -0.795 0.000 1.008 346 F HN -0.039 nan 8.300 nan 0.000 0.480 347 L N 0.411 121.425 121.223 -0.348 0.000 2.012 347 L HA -0.216 4.128 4.340 0.006 0.000 0.210 347 L C 2.103 178.689 176.870 -0.473 0.000 1.073 347 L CA 1.905 56.482 54.840 -0.437 0.000 0.748 347 L CB -1.030 40.729 42.059 -0.500 0.000 0.891 347 L HN 0.230 nan 8.230 nan 0.000 0.431 348 L N -1.564 119.312 121.223 -0.579 0.000 2.046 348 L HA -0.234 4.109 4.340 0.006 0.000 0.208 348 L C 2.507 179.297 176.870 -0.133 0.000 1.077 348 L CA 1.585 56.158 54.840 -0.446 0.000 0.747 348 L CB -0.758 40.952 42.059 -0.582 0.000 0.896 348 L HN 0.361 nan 8.230 nan 0.000 0.432 349 F N 0.210 120.040 119.950 -0.199 0.000 2.102 349 F HA -0.251 4.279 4.527 0.006 0.000 0.298 349 F C 2.238 178.077 175.800 0.065 0.000 1.105 349 F CA 1.418 59.385 58.000 -0.056 0.000 1.239 349 F CB -0.372 38.602 39.000 -0.044 0.000 0.991 349 F HN -0.111 nan 8.300 nan 0.000 0.474 350 F N 0.656 120.336 119.950 -0.450 0.000 2.186 350 F HA -0.017 4.514 4.527 0.006 0.000 0.299 350 F C 2.587 178.252 175.800 -0.225 0.000 1.090 350 F CA 0.869 58.627 58.000 -0.403 0.000 1.307 350 F CB -1.487 37.284 39.000 -0.381 0.000 1.019 350 F HN 0.081 nan 8.300 nan 0.000 0.489 351 A N -0.228 122.594 122.820 0.004 0.000 1.930 351 A HA -0.024 4.299 4.320 0.006 0.000 0.217 351 A C 2.582 180.210 177.584 0.073 0.000 1.175 351 A CA 1.695 53.771 52.037 0.066 0.000 0.627 351 A CB -1.457 17.619 19.000 0.127 0.000 0.815 351 A HN 0.391 nan 8.150 nan 0.000 0.443 352 G N -0.261 108.543 108.800 0.006 0.000 2.394 352 G HA2 -0.059 3.904 3.960 0.006 0.000 0.214 352 G HA3 -0.059 3.904 3.960 0.006 0.000 0.214 352 G C 1.459 176.387 174.900 0.046 0.000 1.176 352 G CA 1.037 46.183 45.100 0.077 0.000 0.786 352 G HN 0.440 nan 8.290 nan 0.000 0.533 353 L N 1.951 123.038 121.223 -0.227 0.000 2.012 353 L HA -0.084 4.259 4.340 0.006 0.000 0.210 353 L C 2.992 179.787 176.870 -0.125 0.000 1.073 353 L CA 2.867 57.530 54.840 -0.295 0.000 0.748 353 L CB -1.171 40.516 42.059 -0.620 0.000 0.891 353 L HN 0.364 nan 8.230 nan 0.000 0.431 354 T N -4.617 109.917 114.554 -0.032 0.000 3.051 354 T HA -0.039 4.314 4.350 0.006 0.000 0.269 354 T C 1.861 176.564 174.700 0.004 0.000 1.127 354 T CA 1.179 63.309 62.100 0.050 0.000 1.107 354 T CB -0.333 68.570 68.868 0.059 0.000 0.898 354 T HN 0.296 nan 8.240 nan 0.000 0.517 355 S N 1.424 117.111 115.700 -0.021 0.000 2.468 355 S HA 0.033 4.506 4.470 0.006 0.000 0.226 355 S C 2.404 176.870 174.600 -0.224 0.000 1.051 355 S CA 0.650 58.768 58.200 -0.137 0.000 0.943 355 S CB -0.140 62.992 63.200 -0.112 0.000 0.810 355 S HN 0.791 nan 8.310 nan 0.000 0.509 356 S N 2.889 118.530 115.700 -0.099 0.000 2.402 356 S HA -0.055 4.419 4.470 0.006 0.000 0.229 356 S C 1.955 176.509 174.600 -0.077 0.000 1.021 356 S CA 1.048 59.194 58.200 -0.091 0.000 0.974 356 S CB -0.957 62.297 63.200 0.089 0.000 0.800 356 S HN 0.705 nan 8.310 nan 0.000 0.484 357 I N 0.214 120.749 120.570 -0.060 0.000 2.394 357 I HA 0.072 4.245 4.170 0.006 0.000 0.251 357 I C 2.586 178.731 176.117 0.046 0.000 1.136 357 I CA 1.151 62.439 61.300 -0.020 0.000 1.425 357 I CB -0.875 37.106 38.000 -0.031 0.000 1.079 357 I HN 0.306 nan 8.210 nan 0.000 0.425 358 A N 2.786 125.600 122.820 -0.010 0.000 1.930 358 A HA -0.062 4.262 4.320 0.006 0.000 0.217 358 A C 2.373 179.853 177.584 -0.172 0.000 1.175 358 A CA 1.812 53.751 52.037 -0.163 0.000 0.627 358 A CB -0.801 17.903 19.000 -0.493 0.000 0.815 358 A HN 0.738 nan 8.150 nan 0.000 0.443 359 I N -4.908 115.559 120.570 -0.171 0.000 3.578 359 I HA 0.150 4.324 4.170 0.006 0.000 0.295 359 I C 1.825 177.910 176.117 -0.053 0.000 1.280 359 I CA 0.729 61.955 61.300 -0.124 0.000 1.347 359 I CB -0.042 37.856 38.000 -0.170 0.000 1.051 359 I HN 0.149 nan 8.210 nan 0.000 0.460 360 M N 0.372 119.958 119.600 -0.024 0.000 2.501 360 M HA 0.022 4.506 4.480 0.006 0.000 0.261 360 M C 2.068 178.400 176.300 0.053 0.000 1.129 360 M CA 0.649 55.960 55.300 0.019 0.000 1.126 360 M CB 0.086 32.699 32.600 0.021 0.000 1.359 360 M HN 0.221 nan 8.290 nan 0.000 0.471 361 Q N 1.430 121.278 119.800 0.079 0.000 2.170 361 Q HA -0.083 4.261 4.340 0.006 0.000 0.203 361 Q C -1.076 175.006 176.000 0.137 0.000 0.976 361 Q CA 1.904 57.784 55.803 0.129 0.000 0.858 361 Q CB -1.182 27.704 28.738 0.246 0.000 0.907 361 Q HN 0.220 nan 8.270 nan 0.000 0.433 362 P HA -0.140 nan 4.420 nan 0.000 0.215 362 P C 1.129 178.491 177.300 0.103 0.000 1.153 362 P CA 1.364 64.519 63.100 0.091 0.000 0.853 362 P CB -0.151 31.571 31.700 0.037 0.000 0.788 363 M N -1.064 118.586 119.600 0.083 0.000 2.117 363 M HA -0.105 4.378 4.480 0.006 0.000 0.262 363 M C 1.871 178.275 176.300 0.174 0.000 1.065 363 M CA 1.772 57.141 55.300 0.115 0.000 1.114 363 M CB -1.187 31.471 32.600 0.097 0.000 1.361 363 M HN -0.210 nan 8.290 nan 0.000 0.408 364 I N -0.223 120.428 120.570 0.134 0.000 2.179 364 I HA -0.280 3.893 4.170 0.006 0.000 0.242 364 I C 2.397 178.578 176.117 0.107 0.000 1.088 364 I CA 1.311 62.679 61.300 0.114 0.000 1.357 364 I CB -0.779 37.264 38.000 0.073 0.000 1.051 364 I HN 0.389 nan 8.210 nan 0.000 0.409 365 A N 0.456 123.354 122.820 0.129 0.000 1.933 365 A HA -0.267 4.057 4.320 0.006 0.000 0.218 365 A C 2.246 179.884 177.584 0.091 0.000 1.175 365 A CA 1.577 53.686 52.037 0.119 0.000 0.628 365 A CB -0.992 18.096 19.000 0.147 0.000 0.814 365 A HN 0.492 nan 8.150 nan 0.000 0.444 366 F N 0.555 120.503 119.950 -0.003 0.000 2.146 366 F HA -0.101 4.430 4.527 0.006 0.000 0.298 366 F C 1.837 177.615 175.800 -0.037 0.000 1.096 366 F CA 1.681 59.663 58.000 -0.029 0.000 1.275 366 F CB -0.249 38.717 39.000 -0.056 0.000 1.008 366 F HN 0.133 nan 8.300 nan 0.000 0.480 367 L N 0.003 121.207 121.223 -0.031 0.000 2.093 367 L HA -0.170 4.174 4.340 0.006 0.000 0.208 367 L C 2.348 179.118 176.870 -0.167 0.000 1.085 367 L CA 1.529 56.290 54.840 -0.131 0.000 0.755 367 L CB -0.730 41.368 42.059 0.065 0.000 0.904 367 L HN 0.210 nan 8.230 nan 0.000 0.435 368 E N 0.037 120.179 120.200 -0.096 0.000 2.016 368 E HA -0.184 4.170 4.350 0.006 0.000 0.190 368 E C 1.797 178.305 176.600 -0.152 0.000 0.985 368 E CA 1.253 57.596 56.400 -0.095 0.000 0.802 368 E CB -0.033 29.637 29.700 -0.050 0.000 0.762 368 E HN 0.411 nan 8.360 nan 0.000 0.448 369 D N 0.510 120.812 120.400 -0.164 0.000 2.097 369 D HA -0.145 4.499 4.640 0.006 0.000 0.195 369 D C 1.844 177.998 176.300 -0.242 0.000 0.989 369 D CA 1.163 55.046 54.000 -0.195 0.000 0.827 369 D CB -0.045 40.671 40.800 -0.139 0.000 0.966 369 D HN 0.136 nan 8.370 nan 0.000 0.456 370 E N -0.457 119.511 120.200 -0.387 0.000 2.251 370 E HA 0.141 4.495 4.350 0.006 0.000 0.194 370 E C 2.030 178.376 176.600 -0.423 0.000 0.964 370 E CA 0.097 56.236 56.400 -0.436 0.000 0.868 370 E CB 0.331 29.598 29.700 -0.722 0.000 0.828 370 E HN 0.290 nan 8.360 nan 0.000 0.481 371 L N 0.632 121.577 121.223 -0.462 0.000 2.693 371 L HA 0.174 4.518 4.340 0.006 0.000 0.235 371 L C -0.105 176.648 176.870 -0.195 0.000 1.127 371 L CA -0.147 54.505 54.840 -0.314 0.000 0.914 371 L CB 0.261 42.131 42.059 -0.315 0.000 1.193 371 L HN -0.164 nan 8.230 nan 0.000 0.502 372 K N 0.376 120.667 120.400 -0.181 0.000 3.071 372 K HA -0.174 4.150 4.320 0.006 0.000 0.265 372 K C -0.366 176.193 176.600 -0.068 0.000 1.060 372 K CA 0.482 56.699 56.287 -0.117 0.000 0.767 372 K CB -2.034 30.407 32.500 -0.099 0.000 1.241 372 K HN 0.117 nan 8.250 nan 0.000 0.486 373 L N 0.859 122.049 121.223 -0.055 0.000 2.417 373 L HA 0.149 4.492 4.340 0.006 0.000 0.268 373 L C 1.338 178.212 176.870 0.008 0.000 1.158 373 L CA 0.342 55.198 54.840 0.027 0.000 0.819 373 L CB 0.951 43.054 42.059 0.073 0.000 1.112 373 L HN 0.331 nan 8.230 nan 0.000 0.458 374 S N 2.709 118.415 115.700 0.010 0.000 2.584 374 S HA 0.135 4.608 4.470 0.006 0.000 0.270 374 S C 1.265 175.828 174.600 -0.062 0.000 1.346 374 S CA -0.202 57.947 58.200 -0.086 0.000 1.018 374 S CB 0.474 63.534 63.200 -0.233 0.000 0.899 374 S HN 0.658 nan 8.310 nan 0.000 0.542 375 R N 1.299 121.746 120.500 -0.087 0.000 2.091 375 R HA -0.146 4.198 4.340 0.006 0.000 0.238 375 R C 2.341 178.609 176.300 -0.054 0.000 1.136 375 R CA 1.821 57.879 56.100 -0.070 0.000 0.959 375 R CB -0.406 29.833 30.300 -0.102 0.000 0.856 375 R HN 0.860 nan 8.270 nan 0.000 0.437 376 K N -0.360 119.976 120.400 -0.106 0.000 2.020 376 K HA -0.233 4.091 4.320 0.006 0.000 0.212 376 K C 1.835 178.455 176.600 0.033 0.000 1.050 376 K CA 2.213 58.447 56.287 -0.089 0.000 0.929 376 K CB -0.264 32.133 32.500 -0.171 0.000 0.714 376 K HN 0.503 nan 8.250 nan 0.000 0.443 377 H N -0.851 118.250 119.070 0.051 0.000 2.389 377 H HA -0.055 4.505 4.556 0.006 0.000 0.299 377 H C 2.067 177.534 175.328 0.232 0.000 1.081 377 H CA 0.661 56.798 56.048 0.149 0.000 1.345 377 H CB 0.064 29.951 29.762 0.209 0.000 1.393 377 H HN 0.406 nan 8.280 nan 0.000 0.520 378 A N 0.619 123.597 122.820 0.263 0.000 1.898 378 A HA -0.120 4.204 4.320 0.006 0.000 0.216 378 A C 2.562 180.256 177.584 0.184 0.000 1.181 378 A CA 1.374 53.538 52.037 0.212 0.000 0.620 378 A CB -0.680 18.385 19.000 0.109 0.000 0.819 378 A HN 0.204 nan 8.150 nan 0.000 0.442 379 V N 0.041 120.019 119.914 0.106 0.000 2.358 379 V HA -0.208 3.916 4.120 0.006 0.000 0.246 379 V C 2.554 178.686 176.094 0.063 0.000 1.047 379 V CA 1.787 64.121 62.300 0.058 0.000 1.035 379 V CB -0.674 31.141 31.823 -0.013 0.000 0.658 379 V HN 0.552 nan 8.190 nan 0.000 0.452 380 L N -1.872 119.380 121.223 0.049 0.000 2.027 380 L HA -0.174 4.170 4.340 0.006 0.000 0.206 380 L C 2.413 179.267 176.870 -0.027 0.000 1.074 380 L CA 1.947 56.763 54.840 -0.040 0.000 0.745 380 L CB -0.507 41.480 42.059 -0.121 0.000 0.898 380 L HN 0.376 nan 8.230 nan 0.000 0.433 381 W N 0.119 121.470 121.300 0.085 0.000 2.363 381 W HA -0.178 4.486 4.660 0.006 0.000 0.296 381 W C 2.711 179.304 176.519 0.123 0.000 1.212 381 W CA 1.334 58.738 57.345 0.098 0.000 1.260 381 W CB -0.465 29.057 29.460 0.103 0.000 1.131 381 W HN 0.020 nan 8.180 nan 0.000 0.530 382 T N 0.037 114.794 114.554 0.339 0.000 2.708 382 T HA -0.217 4.137 4.350 0.006 0.000 0.266 382 T C 1.948 176.776 174.700 0.212 0.000 1.037 382 T CA 1.811 64.062 62.100 0.253 0.000 1.146 382 T CB -0.753 68.223 68.868 0.180 0.000 0.865 382 T HN 0.192 nan 8.240 nan 0.000 0.435 383 A N 1.300 124.210 122.820 0.150 0.000 1.940 383 A HA 0.107 4.430 4.320 0.006 0.000 0.219 383 A C 2.590 180.297 177.584 0.205 0.000 1.176 383 A CA 1.889 53.999 52.037 0.121 0.000 0.631 383 A CB -0.983 18.031 19.000 0.023 0.000 0.814 383 A HN 0.517 nan 8.150 nan 0.000 0.446 384 A N -0.080 122.863 122.820 0.204 0.000 1.930 384 A HA -0.015 4.309 4.320 0.006 0.000 0.217 384 A C 2.095 179.915 177.584 0.394 0.000 1.175 384 A CA 1.403 53.602 52.037 0.270 0.000 0.627 384 A CB -0.535 18.544 19.000 0.131 0.000 0.815 384 A HN 0.507 nan 8.150 nan 0.000 0.443 385 I N -0.527 120.262 120.570 0.366 0.000 2.202 385 I HA -0.181 3.993 4.170 0.006 0.000 0.242 385 I C 2.302 178.652 176.117 0.389 0.000 1.091 385 I CA 1.015 62.535 61.300 0.367 0.000 1.368 385 I CB -0.435 37.754 38.000 0.315 0.000 1.058 385 I HN 0.127 nan 8.210 nan 0.000 0.410 386 V N 0.868 120.982 119.914 0.334 0.000 2.343 386 V HA -0.293 3.830 4.120 0.006 0.000 0.247 386 V C 2.315 178.646 176.094 0.395 0.000 1.051 386 V CA 1.932 64.419 62.300 0.312 0.000 1.036 386 V CB -0.721 31.251 31.823 0.247 0.000 0.654 386 V HN 0.361 nan 8.190 nan 0.000 0.451 387 F N 0.749 120.873 119.950 0.291 0.000 2.075 387 F HA -0.236 4.294 4.527 0.006 0.000 0.297 387 F C 2.162 178.257 175.800 0.492 0.000 1.113 387 F CA 1.955 60.169 58.000 0.358 0.000 1.218 387 F CB -0.706 38.433 39.000 0.233 0.000 0.984 387 F HN 0.200 nan 8.300 nan 0.000 0.472 388 F N 0.890 120.958 119.950 0.196 0.000 2.095 388 F HA -0.199 4.332 4.527 0.006 0.000 0.298 388 F C 2.437 178.303 175.800 0.111 0.000 1.104 388 F CA 2.195 60.234 58.000 0.066 0.000 1.232 388 F CB -1.007 38.057 39.000 0.107 0.000 0.987 388 F HN -0.037 nan 8.300 nan 0.000 0.475 389 S N 0.500 116.249 115.700 0.083 0.000 2.419 389 S HA -0.097 4.377 4.470 0.006 0.000 0.233 389 S C 2.205 176.719 174.600 -0.142 0.000 1.016 389 S CA 0.815 58.980 58.200 -0.058 0.000 0.974 389 S CB -0.767 62.636 63.200 0.338 0.000 0.786 389 S HN 0.556 nan 8.310 nan 0.000 0.492 390 A N 0.993 123.770 122.820 -0.071 0.000 2.121 390 A HA -0.111 4.212 4.320 0.006 0.000 0.218 390 A C 1.579 178.890 177.584 -0.456 0.000 1.154 390 A CA 1.246 53.144 52.037 -0.233 0.000 0.679 390 A CB -0.709 18.163 19.000 -0.213 0.000 0.795 390 A HN 0.529 nan 8.150 nan 0.000 0.458 391 H N -1.263 117.560 119.070 -0.412 0.000 2.456 391 H HA -0.060 4.499 4.556 0.006 0.000 0.296 391 H C 1.791 177.030 175.328 -0.149 0.000 1.079 391 H CA 1.402 57.301 56.048 -0.248 0.000 1.322 391 H CB -0.092 29.505 29.762 -0.276 0.000 1.388 391 H HN 0.418 nan 8.280 nan 0.000 0.538 392 L N -0.087 121.028 121.223 -0.180 0.000 2.056 392 L HA -0.106 4.238 4.340 0.006 0.000 0.207 392 L C 2.010 178.823 176.870 -0.094 0.000 1.078 392 L CA 1.162 55.916 54.840 -0.143 0.000 0.749 392 L CB -0.399 41.519 42.059 -0.236 0.000 0.901 392 L HN 0.107 nan 8.230 nan 0.000 0.433 393 V N -0.711 119.113 119.914 -0.149 0.000 2.667 393 V HA -0.234 3.890 4.120 0.006 0.000 0.252 393 V C 2.411 178.370 176.094 -0.224 0.000 1.065 393 V CA 1.733 63.965 62.300 -0.114 0.000 1.083 393 V CB -0.405 31.389 31.823 -0.048 0.000 0.692 393 V HN 0.423 nan 8.190 nan 0.000 0.468 394 M N -1.751 117.540 119.600 -0.515 0.000 2.349 394 M HA 0.036 4.520 4.480 0.006 0.000 0.266 394 M C 1.533 177.430 176.300 -0.672 0.000 1.076 394 M CA 1.828 56.650 55.300 -0.797 0.000 1.126 394 M CB -0.018 31.852 32.600 -1.217 0.000 1.392 394 M HN 0.341 nan 8.290 nan 0.000 0.440 395 F N -1.196 118.653 119.950 -0.168 0.000 2.752 395 F HA 0.264 4.794 4.527 0.006 0.000 0.310 395 F C 0.256 176.002 175.800 -0.090 0.000 1.097 395 F CA -0.445 57.488 58.000 -0.112 0.000 1.238 395 F CB 0.566 39.504 39.000 -0.104 0.000 1.061 395 F HN -0.104 nan 8.300 nan 0.000 0.591 396 L N 1.453 122.709 121.223 0.055 0.000 2.276 396 L HA 0.421 4.764 4.340 0.006 0.000 0.286 396 L C -0.145 176.710 176.870 -0.026 0.000 1.024 396 L CA -0.668 54.176 54.840 0.007 0.000 0.826 396 L CB 0.219 42.277 42.059 -0.001 0.000 1.211 396 L HN -0.084 nan 8.230 nan 0.000 0.422 397 N N 4.615 123.283 118.700 -0.052 0.000 2.411 397 N HA 0.041 4.785 4.740 0.006 0.000 0.261 397 N C 0.282 175.754 175.510 -0.063 0.000 1.248 397 N CA 0.651 53.659 53.050 -0.069 0.000 0.885 397 N CB 0.344 38.767 38.487 -0.108 0.000 1.062 397 N HN 0.479 nan 8.380 nan 0.000 0.471 398 K N 0.226 120.607 120.400 -0.032 0.000 3.548 398 K HA -0.202 4.122 4.320 0.006 0.000 0.296 398 K C 1.237 177.832 176.600 -0.009 0.000 1.324 398 K CA 1.127 57.400 56.287 -0.025 0.000 0.976 398 K CB -2.119 30.348 32.500 -0.055 0.000 1.294 398 K HN 0.526 nan 8.250 nan 0.000 0.464 399 S N 0.785 116.487 115.700 0.002 0.000 2.370 399 S HA -0.035 4.439 4.470 0.006 0.000 0.226 399 S C 1.817 176.430 174.600 0.022 0.000 1.033 399 S CA 1.532 59.748 58.200 0.026 0.000 1.011 399 S CB -0.069 63.146 63.200 0.024 0.000 0.852 399 S HN 0.429 nan 8.310 nan 0.000 0.457 400 L N 1.162 122.395 121.223 0.016 0.000 2.012 400 L HA -0.189 4.154 4.340 0.006 0.000 0.210 400 L C 1.833 178.595 176.870 -0.181 0.000 1.073 400 L CA 2.496 57.305 54.840 -0.051 0.000 0.748 400 L CB -0.682 41.419 42.059 0.070 0.000 0.891 400 L HN 0.266 nan 8.230 nan 0.000 0.431 401 D N -0.478 119.879 120.400 -0.072 0.000 2.123 401 D HA -0.246 4.398 4.640 0.006 0.000 0.196 401 D C 2.061 178.334 176.300 -0.045 0.000 0.992 401 D CA 1.397 55.352 54.000 -0.076 0.000 0.833 401 D CB -0.101 40.672 40.800 -0.047 0.000 0.954 401 D HN 0.375 nan 8.370 nan 0.000 0.455 402 E N 0.054 120.261 120.200 0.012 0.000 2.077 402 E HA -0.114 4.239 4.350 0.006 0.000 0.193 402 E C 1.998 178.746 176.600 0.246 0.000 0.989 402 E CA 1.008 57.491 56.400 0.138 0.000 0.800 402 E CB -0.116 29.682 29.700 0.163 0.000 0.746 402 E HN 0.259 nan 8.360 nan 0.000 0.452 403 M N -0.022 119.650 119.600 0.120 0.000 2.132 403 M HA -0.132 4.352 4.480 0.006 0.000 0.263 403 M C 1.940 178.270 176.300 0.050 0.000 1.065 403 M CA 1.866 57.245 55.300 0.133 0.000 1.122 403 M CB -0.330 32.351 32.600 0.136 0.000 1.365 403 M HN 0.091 nan 8.290 nan 0.000 0.411 404 D N 0.193 120.425 120.400 -0.279 0.000 2.144 404 D HA -0.193 4.451 4.640 0.006 0.000 0.199 404 D C 1.677 178.014 176.300 0.062 0.000 0.984 404 D CA 1.151 55.033 54.000 -0.197 0.000 0.834 404 D CB -0.016 40.554 40.800 -0.384 0.000 0.955 404 D HN 0.273 nan 8.370 nan 0.000 0.465 405 F N -0.581 119.306 119.950 -0.107 0.000 2.060 405 F HA -0.031 4.499 4.527 0.006 0.000 0.295 405 F C 1.638 177.327 175.800 -0.185 0.000 1.120 405 F CA 1.474 59.357 58.000 -0.195 0.000 1.205 405 F CB -0.658 38.107 39.000 -0.392 0.000 0.986 405 F HN 0.032 nan 8.300 nan 0.000 0.470 406 W N -0.002 121.286 121.300 -0.020 0.000 2.388 406 W HA 0.017 4.681 4.660 0.007 0.000 0.294 406 W C 2.464 178.983 176.519 0.001 0.000 1.212 406 W CA 1.420 58.725 57.345 -0.067 0.000 1.271 406 W CB -0.687 28.907 29.460 0.223 0.000 1.126 406 W HN 0.120 nan 8.180 nan 0.000 0.535 407 A N -0.392 122.542 122.820 0.191 0.000 1.909 407 A HA 0.234 4.558 4.320 0.006 0.000 0.209 407 A C 2.129 179.694 177.584 -0.032 0.000 1.247 407 A CA 1.159 53.219 52.037 0.039 0.000 0.660 407 A CB -1.286 17.573 19.000 -0.234 0.000 0.910 407 A HN 0.198 nan 8.150 nan 0.000 0.465 408 G N -1.495 107.348 108.800 0.072 0.000 2.650 408 G HA2 0.200 4.164 3.960 0.006 0.000 0.214 408 G HA3 0.200 4.164 3.960 0.006 0.000 0.214 408 G C 1.149 176.171 174.900 0.203 0.000 1.136 408 G CA 1.635 46.841 45.100 0.177 0.000 0.789 408 G HN 0.450 nan 8.290 nan 0.000 0.536 409 T N 0.299 114.865 114.554 0.020 0.000 3.397 409 T HA 0.190 4.544 4.350 0.006 0.000 0.233 409 T C 2.176 176.723 174.700 -0.255 0.000 0.969 409 T CA -0.068 62.031 62.100 -0.002 0.000 1.316 409 T CB 0.027 68.899 68.868 0.006 0.000 1.175 409 T HN -0.055 nan 8.240 nan 0.000 0.381 410 I N 2.212 122.402 120.570 -0.633 0.000 2.163 410 I HA -0.007 4.166 4.170 0.006 0.000 0.240 410 I C 2.905 178.819 176.117 -0.338 0.000 1.081 410 I CA 1.672 62.518 61.300 -0.756 0.000 1.353 410 I CB -1.860 35.570 38.000 -0.950 0.000 1.054 410 I HN 0.399 nan 8.210 nan 0.000 0.407 411 G N 1.539 110.252 108.800 -0.145 0.000 2.476 411 G HA2 -0.235 3.729 3.960 0.006 0.000 0.218 411 G HA3 -0.235 3.729 3.960 0.006 0.000 0.218 411 G C 1.817 176.751 174.900 0.056 0.000 1.164 411 G CA 1.892 47.029 45.100 0.061 0.000 0.768 411 G HN 0.391 nan 8.290 nan 0.000 0.560 412 V N -1.037 118.835 119.914 -0.070 0.000 2.427 412 V HA -0.115 4.008 4.120 0.006 0.000 0.248 412 V C 2.690 178.612 176.094 -0.287 0.000 1.051 412 V CA 1.799 64.064 62.300 -0.059 0.000 1.048 412 V CB -0.795 31.017 31.823 -0.018 0.000 0.666 412 V HN 0.167 nan 8.190 nan 0.000 0.456 413 V N 0.120 119.720 119.914 -0.524 0.000 2.323 413 V HA -0.145 3.978 4.120 0.006 0.000 0.244 413 V C 2.363 178.315 176.094 -0.236 0.000 1.041 413 V CA 2.345 64.200 62.300 -0.742 0.000 1.025 413 V CB -0.973 30.590 31.823 -0.433 0.000 0.656 413 V HN 0.600 nan 8.190 nan 0.000 0.451 414 F N 0.531 120.337 119.950 -0.240 0.000 2.126 414 F HA -0.264 4.267 4.527 0.006 0.000 0.299 414 F C 2.060 177.834 175.800 -0.044 0.000 1.096 414 F CA 1.951 59.859 58.000 -0.153 0.000 1.255 414 F CB -0.473 38.397 39.000 -0.216 0.000 0.997 414 F HN 0.171 nan 8.300 nan 0.000 0.479 415 F N 1.032 120.848 119.950 -0.224 0.000 2.259 415 F HA 0.116 4.647 4.527 0.006 0.000 0.298 415 F C 2.420 178.185 175.800 -0.058 0.000 1.088 415 F CA 1.308 59.192 58.000 -0.193 0.000 1.358 415 F CB -1.077 37.961 39.000 0.063 0.000 1.040 415 F HN 0.021 nan 8.300 nan 0.000 0.505 416 G N 0.414 109.281 108.800 0.111 0.000 2.446 416 G HA2 -0.294 3.670 3.960 0.006 0.000 0.217 416 G HA3 -0.294 3.670 3.960 0.006 0.000 0.217 416 G C 1.628 176.525 174.900 -0.006 0.000 1.168 416 G CA 1.045 46.283 45.100 0.231 0.000 0.771 416 G HN 0.389 nan 8.290 nan 0.000 0.551 417 L N 0.880 122.050 121.223 -0.090 0.000 2.056 417 L HA 0.024 4.368 4.340 0.006 0.000 0.207 417 L C 2.911 179.568 176.870 -0.356 0.000 1.078 417 L CA 2.511 57.235 54.840 -0.193 0.000 0.749 417 L CB -0.967 40.994 42.059 -0.163 0.000 0.901 417 L HN 0.186 nan 8.230 nan 0.000 0.433 418 T N 0.186 114.447 114.554 -0.489 0.000 2.708 418 T HA -0.216 4.138 4.350 0.006 0.000 0.266 418 T C 1.598 175.984 174.700 -0.524 0.000 1.037 418 T CA 1.721 63.495 62.100 -0.544 0.000 1.146 418 T CB -0.289 68.170 68.868 -0.683 0.000 0.865 418 T HN 0.702 nan 8.240 nan 0.000 0.435 419 E N 1.118 120.998 120.200 -0.533 0.000 2.150 419 E HA -0.056 4.298 4.350 0.006 0.000 0.193 419 E C 2.332 178.764 176.600 -0.279 0.000 0.985 419 E CA 0.732 56.848 56.400 -0.474 0.000 0.814 419 E CB -0.535 28.977 29.700 -0.312 0.000 0.752 419 E HN 0.439 nan 8.360 nan 0.000 0.466 420 L N 0.833 121.910 121.223 -0.243 0.000 2.027 420 L HA -0.094 4.250 4.340 0.006 0.000 0.206 420 L C 2.522 179.209 176.870 -0.305 0.000 1.074 420 L CA 1.085 55.814 54.840 -0.185 0.000 0.745 420 L CB -0.118 41.794 42.059 -0.244 0.000 0.898 420 L HN 0.142 nan 8.230 nan 0.000 0.433 421 I N -0.025 120.238 120.570 -0.512 0.000 2.163 421 I HA -0.372 3.802 4.170 0.006 0.000 0.243 421 I C 2.434 178.379 176.117 -0.287 0.000 1.085 421 I CA 1.703 62.628 61.300 -0.624 0.000 1.347 421 I CB -0.284 37.386 38.000 -0.550 0.000 1.044 421 I HN 0.278 nan 8.210 nan 0.000 0.408 422 I N -0.258 120.131 120.570 -0.303 0.000 2.179 422 I HA -0.327 3.847 4.170 0.006 0.000 0.242 422 I C 2.478 178.574 176.117 -0.035 0.000 1.088 422 I CA 1.589 62.735 61.300 -0.257 0.000 1.357 422 I CB -0.328 37.391 38.000 -0.469 0.000 1.051 422 I HN 0.174 nan 8.210 nan 0.000 0.409 423 F N 0.461 120.313 119.950 -0.162 0.000 2.149 423 F HA -0.117 4.414 4.527 0.006 0.000 0.294 423 F C 2.040 177.919 175.800 0.131 0.000 1.095 423 F CA 1.410 59.394 58.000 -0.026 0.000 1.276 423 F CB -0.342 38.640 39.000 -0.030 0.000 1.023 423 F HN -0.116 nan 8.300 nan 0.000 0.480 424 F N -1.972 117.933 119.950 -0.074 0.000 2.619 424 F HA 0.001 4.531 4.527 0.006 0.000 0.293 424 F C 1.280 177.159 175.800 0.131 0.000 1.119 424 F CA 0.544 58.486 58.000 -0.097 0.000 1.445 424 F CB -0.117 38.829 39.000 -0.091 0.000 1.119 424 F HN -0.043 nan 8.300 nan 0.000 0.573 425 W N -0.560 120.699 121.300 -0.069 0.000 2.780 425 W HA 0.261 4.925 4.660 0.006 0.000 0.272 425 W C 2.118 178.525 176.519 -0.187 0.000 1.116 425 W CA 0.121 57.385 57.345 -0.136 0.000 1.600 425 W CB -1.053 28.332 29.460 -0.125 0.000 1.086 425 W HN -0.199 nan 8.180 nan 0.000 0.584 426 I N -0.658 119.929 120.570 0.028 0.000 2.277 426 I HA -0.229 3.944 4.170 0.006 0.000 0.243 426 I C 2.329 178.413 176.117 -0.056 0.000 1.094 426 I CA 1.261 62.475 61.300 -0.143 0.000 1.393 426 I CB -0.695 37.040 38.000 -0.441 0.000 1.078 426 I HN -0.196 nan 8.210 nan 0.000 0.417 427 F N 1.895 121.751 119.950 -0.156 0.000 2.234 427 F HA 0.159 4.689 4.527 0.006 0.000 0.299 427 F C 1.032 176.705 175.800 -0.211 0.000 1.087 427 F CA 1.005 58.913 58.000 -0.153 0.000 1.340 427 F CB -0.120 38.781 39.000 -0.165 0.000 1.031 427 F HN 0.080 nan 8.300 nan 0.000 0.500 428 G N -0.596 108.004 108.800 -0.333 0.000 3.313 428 G HA2 0.266 4.230 3.960 0.006 0.000 0.659 428 G HA3 0.266 4.230 3.960 0.006 0.000 0.659 428 G C 0.378 174.967 174.900 -0.518 0.000 1.286 428 G CA -0.445 44.398 45.100 -0.428 0.000 1.077 428 G HN 0.613 nan 8.290 nan 0.000 0.551 429 A N 1.549 124.102 122.820 -0.444 0.000 1.940 429 A HA -0.012 4.311 4.320 0.006 0.000 0.219 429 A C 2.009 179.280 177.584 -0.522 0.000 1.176 429 A CA 2.511 54.118 52.037 -0.716 0.000 0.631 429 A CB -0.208 18.572 19.000 -0.367 0.000 0.814 429 A HN 0.683 nan 8.150 nan 0.000 0.446 430 D N -0.436 119.817 120.400 -0.244 0.000 2.162 430 D HA -0.064 4.580 4.640 0.006 0.000 0.203 430 D C 1.878 178.094 176.300 -0.141 0.000 0.967 430 D CA 1.131 55.074 54.000 -0.095 0.000 0.840 430 D CB -0.224 40.518 40.800 -0.096 0.000 0.972 430 D HN 0.506 nan 8.370 nan 0.000 0.482 431 K N 0.984 121.193 120.400 -0.320 0.000 2.097 431 K HA -0.012 4.311 4.320 0.006 0.000 0.205 431 K C 2.171 178.649 176.600 -0.203 0.000 1.050 431 K CA 1.008 57.093 56.287 -0.337 0.000 0.938 431 K CB 0.023 32.043 32.500 -0.799 0.000 0.718 431 K HN -0.013 nan 8.250 nan 0.000 0.442 432 A N 1.595 124.140 122.820 -0.459 0.000 1.873 432 A HA -0.183 4.141 4.320 0.006 0.000 0.215 432 A C 1.942 179.400 177.584 -0.209 0.000 1.186 432 A CA 1.000 52.608 52.037 -0.716 0.000 0.616 432 A CB -1.010 17.028 19.000 -1.604 0.000 0.823 432 A HN 0.588 nan 8.150 nan 0.000 0.442 433 W N 0.765 121.836 121.300 -0.380 0.000 2.318 433 W HA -0.247 4.416 4.660 0.006 0.000 0.313 433 W C 1.887 178.404 176.519 -0.002 0.000 1.221 433 W CA 2.402 59.727 57.345 -0.034 0.000 1.266 433 W CB -0.156 29.362 29.460 0.096 0.000 1.150 433 W HN 0.480 nan 8.180 nan 0.000 0.496 434 E N 0.631 120.860 120.200 0.049 0.000 2.150 434 E HA -0.254 4.099 4.350 0.006 0.000 0.193 434 E C 1.861 178.446 176.600 -0.025 0.000 0.985 434 E CA 1.783 58.168 56.400 -0.026 0.000 0.814 434 E CB -0.346 29.373 29.700 0.031 0.000 0.752 434 E HN 0.159 nan 8.360 nan 0.000 0.466 435 E N 0.069 120.304 120.200 0.058 0.000 2.150 435 E HA -0.094 4.260 4.350 0.006 0.000 0.193 435 E C 1.773 178.444 176.600 0.118 0.000 0.985 435 E CA 1.102 57.597 56.400 0.158 0.000 0.814 435 E CB -0.192 29.692 29.700 0.307 0.000 0.752 435 E HN 0.397 nan 8.360 nan 0.000 0.466 436 I N 0.533 121.135 120.570 0.054 0.000 2.286 436 I HA -0.199 3.975 4.170 0.006 0.000 0.245 436 I C 1.854 177.833 176.117 -0.230 0.000 1.104 436 I CA 0.865 62.140 61.300 -0.041 0.000 1.397 436 I CB -0.314 37.636 38.000 -0.082 0.000 1.072 436 I HN 0.124 nan 8.210 nan 0.000 0.417 437 N N 0.917 119.402 118.700 -0.359 0.000 2.409 437 N HA -0.064 4.680 4.740 0.006 0.000 0.179 437 N C 0.931 176.320 175.510 -0.201 0.000 1.032 437 N CA 0.198 53.018 53.050 -0.383 0.000 0.898 437 N CB -0.065 38.116 38.487 -0.510 0.000 0.971 437 N HN 0.266 nan 8.380 nan 0.000 0.441 438 R N 0.642 121.075 120.500 -0.113 0.000 2.502 438 R HA 0.038 4.381 4.340 0.006 0.000 0.292 438 R C 0.892 177.173 176.300 -0.032 0.000 0.998 438 R CA 1.048 57.121 56.100 -0.044 0.000 1.056 438 R CB -0.081 30.227 30.300 0.015 0.000 0.939 438 R HN 0.315 nan 8.270 nan 0.000 0.411 439 G N 2.552 111.334 108.800 -0.030 0.000 2.184 439 G HA2 -0.267 3.697 3.960 0.006 0.000 0.264 439 G HA3 -0.267 3.697 3.960 0.006 0.000 0.264 439 G C 0.376 175.253 174.900 -0.040 0.000 0.975 439 G CA 0.028 45.117 45.100 -0.019 0.000 0.642 439 G HN 0.944 nan 8.290 nan 0.000 0.536 440 G N -0.354 108.397 108.800 -0.082 0.000 2.365 440 G HA2 0.474 4.438 3.960 0.006 0.000 0.249 440 G HA3 0.474 4.438 3.960 0.006 0.000 0.249 440 G C 1.219 176.066 174.900 -0.088 0.000 1.288 440 G CA -0.022 45.010 45.100 -0.114 0.000 0.887 440 G HN 0.427 nan 8.290 nan 0.000 0.524 441 I N 1.806 122.331 120.570 -0.074 0.000 2.361 441 I HA -0.022 4.152 4.170 0.006 0.000 0.251 441 I C 1.245 177.324 176.117 -0.063 0.000 1.133 441 I CA 1.123 62.390 61.300 -0.055 0.000 1.413 441 I CB -0.326 37.648 38.000 -0.043 0.000 1.073 441 I HN 0.535 nan 8.210 nan 0.000 0.424 442 I N -2.524 117.991 120.570 -0.092 0.000 3.042 442 I HA 0.471 4.644 4.170 0.006 0.000 0.310 442 I C -0.899 175.118 176.117 -0.167 0.000 1.117 442 I CA -1.049 60.193 61.300 -0.097 0.000 1.003 442 I CB 2.049 40.007 38.000 -0.070 0.000 1.228 442 I HN -0.218 nan 8.210 nan 0.000 0.443 443 K N 2.221 122.528 120.400 -0.155 0.000 2.095 443 K HA 0.593 4.917 4.320 0.006 0.000 0.252 443 K C -0.930 175.502 176.600 -0.281 0.000 0.977 443 K CA -0.902 55.247 56.287 -0.230 0.000 0.900 443 K CB 2.276 34.698 32.500 -0.130 0.000 1.060 443 K HN 0.404 nan 8.250 nan 0.000 0.449 444 V N 3.516 123.149 119.914 -0.468 0.000 2.572 444 V HA 0.078 4.201 4.120 0.006 0.000 0.291 444 V C -2.060 174.079 176.094 0.075 0.000 1.039 444 V CA -1.563 60.469 62.300 -0.446 0.000 1.055 444 V CB 0.275 31.618 31.823 -0.800 0.000 0.969 444 V HN 0.654 nan 8.190 nan 0.000 0.482 445 P HA 0.038 nan 4.420 nan 0.000 0.263 445 P C 0.844 178.404 177.300 0.433 0.000 1.175 445 P CA 0.149 63.434 63.100 0.308 0.000 0.761 445 P CB 0.425 32.326 31.700 0.336 0.000 0.794 446 R N 2.848 123.541 120.500 0.323 0.000 2.139 446 R HA -0.199 4.145 4.340 0.006 0.000 0.243 446 R C 1.841 178.280 176.300 0.233 0.000 1.145 446 R CA 1.281 57.536 56.100 0.258 0.000 0.976 446 R CB -0.558 29.836 30.300 0.156 0.000 0.866 446 R HN 0.387 nan 8.270 nan 0.000 0.449 447 I N 0.093 120.804 120.570 0.235 0.000 2.335 447 I HA -0.278 3.895 4.170 0.006 0.000 0.251 447 I C 1.236 177.473 176.117 0.200 0.000 1.129 447 I CA 1.526 62.946 61.300 0.199 0.000 1.402 447 I CB -0.216 37.804 38.000 0.033 0.000 1.069 447 I HN 0.219 nan 8.210 nan 0.000 0.424 448 Y N -1.562 118.897 120.300 0.265 0.000 2.574 448 Y HA -0.261 4.292 4.550 0.006 0.000 0.294 448 Y C 2.200 178.214 175.900 0.189 0.000 1.142 448 Y CA 1.273 59.536 58.100 0.271 0.000 1.314 448 Y CB -0.368 38.334 38.460 0.404 0.000 0.991 448 Y HN 0.343 nan 8.280 nan 0.000 0.555 449 Y N -0.888 119.355 120.300 -0.095 0.000 2.200 449 Y HA -0.323 4.230 4.550 0.006 0.000 0.290 449 Y C 1.453 177.140 175.900 -0.356 0.000 1.137 449 Y CA 1.647 59.388 58.100 -0.599 0.000 1.163 449 Y CB -0.588 36.959 38.460 -1.523 0.000 0.988 449 Y HN 0.109 nan 8.280 nan 0.000 0.518 450 Y N -1.373 118.993 120.300 0.111 0.000 2.395 450 Y HA -0.095 4.459 4.550 0.006 0.000 0.293 450 Y C 2.414 178.373 175.900 0.099 0.000 1.123 450 Y CA 1.015 59.220 58.100 0.175 0.000 1.227 450 Y CB -0.710 37.904 38.460 0.256 0.000 1.012 450 Y HN -0.042 nan 8.280 nan 0.000 0.552 451 V N 0.081 120.095 119.914 0.168 0.000 2.261 451 V HA -0.363 3.761 4.120 0.006 0.000 0.246 451 V C 2.238 178.322 176.094 -0.017 0.000 1.047 451 V CA 2.126 64.478 62.300 0.086 0.000 1.015 451 V CB -0.621 31.245 31.823 0.072 0.000 0.642 451 V HN 0.421 nan 8.190 nan 0.000 0.446 452 M N -0.753 118.753 119.600 -0.155 0.000 2.117 452 M HA -0.189 4.294 4.480 0.006 0.000 0.262 452 M C 2.447 178.381 176.300 -0.610 0.000 1.065 452 M CA 1.902 56.902 55.300 -0.500 0.000 1.114 452 M CB -0.419 31.600 32.600 -0.968 0.000 1.361 452 M HN 0.180 nan 8.290 nan 0.000 0.408 453 R N -0.818 119.340 120.500 -0.570 0.000 2.119 453 R HA -0.108 4.235 4.340 0.006 0.000 0.222 453 R C 1.131 177.274 176.300 -0.262 0.000 1.088 453 R CA 1.444 57.299 56.100 -0.409 0.000 0.984 453 R CB 0.255 30.097 30.300 -0.765 0.000 0.884 453 R HN 0.344 nan 8.270 nan 0.000 0.447 454 Y N -1.593 118.789 120.300 0.137 0.000 2.736 454 Y HA 0.174 4.727 4.550 0.006 0.000 0.272 454 Y C 1.851 177.838 175.900 0.146 0.000 1.118 454 Y CA -0.414 57.798 58.100 0.186 0.000 1.248 454 Y CB 0.094 38.638 38.460 0.140 0.000 1.437 454 Y HN -0.132 nan 8.280 nan 0.000 0.481 455 I N 0.270 120.987 120.570 0.245 0.000 2.162 455 I HA -0.190 3.984 4.170 0.006 0.000 0.238 455 I C 2.043 178.249 176.117 0.148 0.000 1.076 455 I CA 1.714 63.115 61.300 0.169 0.000 1.353 455 I CB -1.666 36.390 38.000 0.093 0.000 1.063 455 I HN 0.194 nan 8.210 nan 0.000 0.408 456 T N 2.853 117.445 114.554 0.062 0.000 2.635 456 T HA -0.103 4.251 4.350 0.006 0.000 0.267 456 T C -0.319 174.449 174.700 0.113 0.000 1.040 456 T CA 2.011 64.140 62.100 0.050 0.000 1.156 456 T CB -1.616 67.222 68.868 -0.049 0.000 0.863 456 T HN 0.296 nan 8.240 nan 0.000 0.430 457 P HA -0.042 nan 4.420 nan 0.000 0.215 457 P C 1.483 178.845 177.300 0.104 0.000 1.153 457 P CA 1.555 64.639 63.100 -0.027 0.000 0.853 457 P CB -0.225 31.372 31.700 -0.172 0.000 0.788 458 A N -0.903 122.031 122.820 0.189 0.000 1.969 458 A HA -0.161 4.162 4.320 0.006 0.000 0.218 458 A C 2.163 179.851 177.584 0.174 0.000 1.169 458 A CA 1.108 53.258 52.037 0.189 0.000 0.635 458 A CB -1.787 17.335 19.000 0.203 0.000 0.810 458 A HN 0.100 nan 8.150 nan 0.000 0.445 459 F N 0.498 120.484 119.950 0.061 0.000 2.102 459 F HA -0.119 4.411 4.527 0.005 0.000 0.298 459 F C 1.964 177.816 175.800 0.086 0.000 1.105 459 F CA 1.775 59.807 58.000 0.053 0.000 1.239 459 F CB -0.157 38.878 39.000 0.057 0.000 0.991 459 F HN 0.133 nan 8.300 nan 0.000 0.474 460 L N -0.606 120.780 121.223 0.272 0.000 2.072 460 L HA -0.133 4.211 4.340 0.006 0.000 0.205 460 L C 2.748 179.680 176.870 0.104 0.000 1.079 460 L CA 0.983 55.946 54.840 0.204 0.000 0.752 460 L CB -1.211 40.979 42.059 0.219 0.000 0.906 460 L HN 0.198 nan 8.230 nan 0.000 0.436 461 A N -0.035 122.834 122.820 0.083 0.000 1.877 461 A HA -0.153 4.170 4.320 0.006 0.000 0.216 461 A C 2.339 179.960 177.584 0.063 0.000 1.186 461 A CA 1.828 53.909 52.037 0.073 0.000 0.620 461 A CB -0.869 18.180 19.000 0.082 0.000 0.822 461 A HN 0.172 nan 8.150 nan 0.000 0.443 462 V N -0.297 119.632 119.914 0.025 0.000 2.343 462 V HA -0.247 3.877 4.120 0.006 0.000 0.247 462 V C 2.505 178.594 176.094 -0.008 0.000 1.051 462 V CA 1.975 64.269 62.300 -0.010 0.000 1.036 462 V CB -0.844 30.932 31.823 -0.078 0.000 0.654 462 V HN 0.588 nan 8.190 nan 0.000 0.451 463 L N -0.420 120.774 121.223 -0.048 0.000 1.989 463 L HA -0.194 4.150 4.340 0.006 0.000 0.211 463 L C 2.264 179.263 176.870 0.214 0.000 1.071 463 L CA 1.993 56.846 54.840 0.023 0.000 0.749 463 L CB -0.428 41.642 42.059 0.019 0.000 0.890 463 L HN 0.196 nan 8.230 nan 0.000 0.431 464 L N -1.787 119.562 121.223 0.209 0.000 2.042 464 L HA -0.236 4.108 4.340 0.006 0.000 0.210 464 L C 2.400 179.403 176.870 0.222 0.000 1.076 464 L CA 1.111 56.086 54.840 0.226 0.000 0.749 464 L CB -0.614 41.515 42.059 0.117 0.000 0.893 464 L HN 0.157 nan 8.230 nan 0.000 0.432 465 V N -0.686 119.326 119.914 0.163 0.000 2.237 465 V HA -0.265 3.859 4.120 0.006 0.000 0.245 465 V C 2.411 178.617 176.094 0.187 0.000 1.046 465 V CA 1.732 64.119 62.300 0.145 0.000 1.007 465 V CB -0.303 31.580 31.823 0.099 0.000 0.638 465 V HN 0.189 nan 8.190 nan 0.000 0.445 466 V N -1.047 118.976 119.914 0.182 0.000 2.392 466 V HA -0.283 3.840 4.120 0.006 0.000 0.249 466 V C 2.123 178.447 176.094 0.385 0.000 1.059 466 V CA 2.107 64.534 62.300 0.211 0.000 1.051 466 V CB -0.753 31.161 31.823 0.151 0.000 0.658 466 V HN 0.753 nan 8.190 nan 0.000 0.455 467 W N 0.986 122.406 121.300 0.199 0.000 2.355 467 W HA -0.196 4.468 4.660 0.007 0.000 0.309 467 W C 2.543 179.220 176.519 0.264 0.000 1.206 467 W CA 2.183 59.684 57.345 0.259 0.000 1.284 467 W CB -0.700 28.825 29.460 0.108 0.000 1.145 467 W HN 0.286 nan 8.180 nan 0.000 0.502 468 A N 0.477 123.556 122.820 0.432 0.000 1.898 468 A HA -0.158 4.165 4.320 0.006 0.000 0.216 468 A C 2.125 179.834 177.584 0.209 0.000 1.181 468 A CA 1.647 53.836 52.037 0.253 0.000 0.620 468 A CB -0.714 18.378 19.000 0.152 0.000 0.819 468 A HN 0.324 nan 8.150 nan 0.000 0.442 469 R N -0.699 119.908 120.500 0.178 0.000 2.090 469 R HA -0.040 4.304 4.340 0.006 0.000 0.228 469 R C 1.345 177.667 176.300 0.036 0.000 1.110 469 R CA 1.356 57.514 56.100 0.097 0.000 0.973 469 R CB -0.014 30.329 30.300 0.073 0.000 0.869 469 R HN 0.456 nan 8.270 nan 0.000 0.440 470 E N -1.414 118.785 120.200 -0.002 0.000 2.465 470 E HA 0.039 4.392 4.350 0.006 0.000 0.209 470 E C 0.805 177.118 176.600 -0.479 0.000 0.951 470 E CA 0.672 56.876 56.400 -0.326 0.000 0.997 470 E CB 0.452 29.787 29.700 -0.609 0.000 1.025 470 E HN 0.401 nan 8.360 nan 0.000 0.500 471 Y N -0.148 120.249 120.300 0.162 0.000 2.652 471 Y HA 0.193 4.747 4.550 0.006 0.000 0.275 471 Y C 2.222 178.236 175.900 0.190 0.000 1.133 471 Y CA -0.115 58.086 58.100 0.168 0.000 1.246 471 Y CB -0.216 38.346 38.460 0.171 0.000 1.334 471 Y HN -0.088 nan 8.280 nan 0.000 0.493 472 I N -0.503 120.304 120.570 0.394 0.000 2.394 472 I HA -0.013 4.161 4.170 0.006 0.000 0.251 472 I C -0.857 175.342 176.117 0.137 0.000 1.136 472 I CA 0.512 61.960 61.300 0.247 0.000 1.425 472 I CB -1.599 36.535 38.000 0.223 0.000 1.079 472 I HN -0.043 nan 8.210 nan 0.000 0.425 473 P HA -0.156 nan 4.420 nan 0.000 0.216 473 P C 1.287 178.623 177.300 0.059 0.000 1.153 473 P CA 1.687 64.838 63.100 0.086 0.000 0.848 473 P CB -0.081 31.659 31.700 0.066 0.000 0.787 474 K N -0.033 120.394 120.400 0.046 0.000 2.032 474 K HA -0.120 4.203 4.320 0.006 0.000 0.209 474 K C 2.391 178.993 176.600 0.003 0.000 1.048 474 K CA 1.297 57.599 56.287 0.025 0.000 0.927 474 K CB -0.777 31.736 32.500 0.022 0.000 0.712 474 K HN 0.181 nan 8.250 nan 0.000 0.441 475 I N 0.418 120.972 120.570 -0.026 0.000 2.252 475 I HA -0.246 3.927 4.170 0.006 0.000 0.245 475 I C 2.120 178.171 176.117 -0.110 0.000 1.102 475 I CA 1.181 62.402 61.300 -0.132 0.000 1.385 475 I CB 0.072 37.877 38.000 -0.326 0.000 1.064 475 I HN 0.196 nan 8.210 nan 0.000 0.414 476 M N 0.352 119.932 119.600 -0.033 0.000 2.117 476 M HA -0.232 4.252 4.480 0.006 0.000 0.262 476 M C 2.147 178.486 176.300 0.066 0.000 1.065 476 M CA 1.772 57.097 55.300 0.042 0.000 1.114 476 M CB -0.985 31.692 32.600 0.129 0.000 1.361 476 M HN 0.382 nan 8.290 nan 0.000 0.408 477 E N -0.136 120.104 120.200 0.065 0.000 2.216 477 E HA -0.123 4.231 4.350 0.006 0.000 0.192 477 E C 1.193 177.837 176.600 0.073 0.000 0.988 477 E CA 0.601 57.051 56.400 0.084 0.000 0.834 477 E CB 0.403 30.145 29.700 0.071 0.000 0.772 477 E HN 0.371 nan 8.360 nan 0.000 0.479 478 E N 0.633 120.858 120.200 0.043 0.000 2.474 478 E HA 0.009 4.362 4.350 0.006 0.000 0.195 478 E C 0.404 177.031 176.600 0.045 0.000 1.039 478 E CA 0.244 56.669 56.400 0.041 0.000 0.881 478 E CB 0.666 30.378 29.700 0.020 0.000 0.970 478 E HN 0.231 nan 8.360 nan 0.000 0.486 479 T N -1.055 113.523 114.554 0.039 0.000 2.868 479 T HA 0.081 4.434 4.350 0.006 0.000 0.292 479 T C 0.390 175.155 174.700 0.109 0.000 1.028 479 T CA -0.593 61.530 62.100 0.038 0.000 1.059 479 T CB 1.531 70.383 68.868 -0.025 0.000 0.991 479 T HN 0.071 nan 8.240 nan 0.000 0.531 480 H N 2.045 121.114 119.070 -0.002 0.000 2.790 480 H HA -0.015 4.545 4.556 0.006 0.000 0.358 480 H C 1.243 176.593 175.328 0.036 0.000 1.103 480 H CA -0.202 55.846 56.048 0.000 0.000 1.426 480 H CB 0.496 30.188 29.762 -0.117 0.000 1.424 480 H HN 0.964 nan 8.280 nan 0.000 0.599 481 W N 4.113 125.192 121.300 -0.369 0.000 2.387 481 W HA -0.175 4.489 4.660 0.006 0.000 0.272 481 W C 1.129 177.716 176.519 0.113 0.000 1.224 481 W CA 1.274 58.593 57.345 -0.044 0.000 1.210 481 W CB -1.230 28.157 29.460 -0.122 0.000 1.125 481 W HN 0.551 nan 8.180 nan 0.000 0.572 482 T N 0.402 114.549 114.554 -0.678 0.000 2.977 482 T HA -0.172 4.181 4.350 0.006 0.000 0.271 482 T C 1.938 176.593 174.700 -0.076 0.000 1.105 482 T CA 1.710 63.492 62.100 -0.529 0.000 1.116 482 T CB -1.080 67.467 68.868 -0.534 0.000 0.878 482 T HN 0.214 nan 8.240 nan 0.000 0.509 483 V N -2.540 117.354 119.914 -0.033 0.000 2.568 483 V HA -0.057 4.067 4.120 0.006 0.000 0.253 483 V C 2.142 178.223 176.094 -0.021 0.000 1.072 483 V CA 0.796 63.065 62.300 -0.051 0.000 1.084 483 V CB -1.470 30.266 31.823 -0.145 0.000 0.676 483 V HN 0.626 nan 8.190 nan 0.000 0.469 484 W N 0.240 121.638 121.300 0.164 0.000 2.467 484 W HA 0.188 4.852 4.660 0.006 0.000 0.275 484 W C 2.306 178.966 176.519 0.236 0.000 1.239 484 W CA 0.796 58.260 57.345 0.198 0.000 1.266 484 W CB -0.268 29.312 29.460 0.200 0.000 1.112 484 W HN 0.212 nan 8.180 nan 0.000 0.576 485 I N -0.386 120.423 120.570 0.398 0.000 2.179 485 I HA -0.313 3.861 4.170 0.006 0.000 0.242 485 I C 2.223 178.563 176.117 0.371 0.000 1.088 485 I CA 1.551 63.060 61.300 0.348 0.000 1.357 485 I CB -1.071 37.055 38.000 0.211 0.000 1.051 485 I HN -0.135 nan 8.210 nan 0.000 0.409 486 T N 0.355 115.069 114.554 0.266 0.000 2.812 486 T HA -0.083 4.271 4.350 0.006 0.000 0.264 486 T C 2.028 176.901 174.700 0.289 0.000 1.042 486 T CA 1.029 63.287 62.100 0.263 0.000 1.140 486 T CB -0.191 68.789 68.868 0.187 0.000 0.870 486 T HN 0.271 nan 8.240 nan 0.000 0.445 487 R N 0.250 120.885 120.500 0.225 0.000 2.083 487 R HA -0.065 4.279 4.340 0.006 0.000 0.237 487 R C 2.207 178.658 176.300 0.251 0.000 1.137 487 R CA 1.562 57.743 56.100 0.136 0.000 0.951 487 R CB -0.615 29.668 30.300 -0.029 0.000 0.851 487 R HN 0.359 nan 8.270 nan 0.000 0.434 488 F N 0.542 120.647 119.950 0.257 0.000 2.095 488 F HA -0.290 4.241 4.527 0.006 0.000 0.298 488 F C 2.212 178.146 175.800 0.223 0.000 1.104 488 F CA 1.459 59.600 58.000 0.236 0.000 1.232 488 F CB -0.557 38.596 39.000 0.255 0.000 0.987 488 F HN -0.017 nan 8.300 nan 0.000 0.475 489 Y N 1.547 121.917 120.300 0.115 0.000 2.145 489 Y HA -0.190 4.364 4.550 0.006 0.000 0.286 489 Y C 2.309 178.234 175.900 0.041 0.000 1.145 489 Y CA 2.294 60.399 58.100 0.008 0.000 1.148 489 Y CB -0.697 37.848 38.460 0.141 0.000 0.981 489 Y HN 0.281 nan 8.280 nan 0.000 0.507 490 I N -2.294 118.344 120.570 0.114 0.000 2.676 490 I HA -0.118 4.055 4.170 0.006 0.000 0.259 490 I C 1.921 178.212 176.117 0.291 0.000 1.194 490 I CA 1.235 62.663 61.300 0.213 0.000 1.473 490 I CB -0.596 37.633 38.000 0.382 0.000 1.096 490 I HN 0.172 nan 8.210 nan 0.000 0.443 491 I N 2.347 122.944 120.570 0.046 0.000 2.315 491 I HA -0.112 4.062 4.170 0.006 0.000 0.248 491 I C 2.793 178.838 176.117 -0.120 0.000 1.117 491 I CA 1.470 62.715 61.300 -0.091 0.000 1.404 491 I CB -0.733 37.189 38.000 -0.131 0.000 1.071 491 I HN 0.350 nan 8.210 nan 0.000 0.419 492 G N 1.057 109.699 108.800 -0.264 0.000 2.422 492 G HA2 -0.201 3.762 3.960 0.006 0.000 0.218 492 G HA3 -0.201 3.762 3.960 0.006 0.000 0.218 492 G C 1.725 176.547 174.900 -0.131 0.000 1.146 492 G CA 0.455 45.386 45.100 -0.281 0.000 0.769 492 G HN 0.252 nan 8.290 nan 0.000 0.547 493 L N -0.927 120.216 121.223 -0.133 0.000 2.046 493 L HA -0.026 4.317 4.340 0.006 0.000 0.208 493 L C 2.554 179.569 176.870 0.241 0.000 1.077 493 L CA 1.074 55.961 54.840 0.078 0.000 0.747 493 L CB -0.365 41.747 42.059 0.087 0.000 0.896 493 L HN 0.274 nan 8.230 nan 0.000 0.432 494 F N -0.387 119.579 119.950 0.027 0.000 2.134 494 F HA -0.260 4.271 4.527 0.006 0.000 0.299 494 F C 2.299 177.973 175.800 -0.211 0.000 1.097 494 F CA 1.163 58.995 58.000 -0.280 0.000 1.264 494 F CB 0.047 38.563 39.000 -0.807 0.000 1.001 494 F HN -0.084 nan 8.300 nan 0.000 0.479 495 L N -0.296 120.979 121.223 0.087 0.000 2.046 495 L HA -0.241 4.103 4.340 0.006 0.000 0.208 495 L C 2.392 179.284 176.870 0.036 0.000 1.077 495 L CA 1.872 56.736 54.840 0.040 0.000 0.747 495 L CB -1.481 40.579 42.059 0.001 0.000 0.896 495 L HN 0.298 nan 8.230 nan 0.000 0.432 496 F N 0.607 120.512 119.950 -0.076 0.000 2.095 496 F HA -0.250 4.281 4.527 0.006 0.000 0.298 496 F C 2.295 178.074 175.800 -0.034 0.000 1.104 496 F CA 1.670 59.653 58.000 -0.028 0.000 1.232 496 F CB -0.474 38.500 39.000 -0.044 0.000 0.987 496 F HN 0.014 nan 8.300 nan 0.000 0.475 497 L N -0.588 120.401 121.223 -0.390 0.000 2.093 497 L HA -0.184 4.160 4.340 0.006 0.000 0.208 497 L C 2.328 178.880 176.870 -0.530 0.000 1.085 497 L CA 1.593 56.065 54.840 -0.614 0.000 0.755 497 L CB -1.161 40.570 42.059 -0.546 0.000 0.904 497 L HN 0.121 nan 8.230 nan 0.000 0.435 498 T N -0.214 114.075 114.554 -0.441 0.000 2.788 498 T HA -0.219 4.134 4.350 0.006 0.000 0.268 498 T C 1.612 176.260 174.700 -0.087 0.000 1.044 498 T CA 1.383 63.310 62.100 -0.289 0.000 1.139 498 T CB -0.339 68.415 68.868 -0.190 0.000 0.867 498 T HN 0.207 nan 8.240 nan 0.000 0.454 499 F N 1.557 121.386 119.950 -0.203 0.000 2.234 499 F HA 0.072 4.603 4.527 0.006 0.000 0.299 499 F C 1.836 177.606 175.800 -0.050 0.000 1.087 499 F CA 0.746 58.683 58.000 -0.105 0.000 1.340 499 F CB -0.443 38.499 39.000 -0.096 0.000 1.031 499 F HN 0.074 nan 8.300 nan 0.000 0.500 500 L N -1.054 119.997 121.223 -0.286 0.000 2.109 500 L HA -0.169 4.175 4.340 0.006 0.000 0.207 500 L C 2.347 179.193 176.870 -0.041 0.000 1.086 500 L CA 0.841 55.526 54.840 -0.258 0.000 0.760 500 L CB -0.851 41.041 42.059 -0.279 0.000 0.910 500 L HN -0.037 nan 8.230 nan 0.000 0.437 501 V N -0.225 119.653 119.914 -0.060 0.000 2.407 501 V HA -0.308 3.815 4.120 0.006 0.000 0.248 501 V C 2.227 178.295 176.094 -0.043 0.000 1.055 501 V CA 1.823 64.132 62.300 0.016 0.000 1.049 501 V CB -0.600 31.154 31.823 -0.115 0.000 0.662 501 V HN 0.371 nan 8.190 nan 0.000 0.455 502 F N 0.408 120.236 119.950 -0.202 0.000 2.146 502 F HA -0.144 4.386 4.527 0.006 0.000 0.298 502 F C 2.022 177.667 175.800 -0.258 0.000 1.096 502 F CA 1.666 59.544 58.000 -0.204 0.000 1.275 502 F CB -0.179 38.720 39.000 -0.169 0.000 1.008 502 F HN 0.027 nan 8.300 nan 0.000 0.480 503 L N 0.102 121.126 121.223 -0.330 0.000 2.083 503 L HA -0.172 4.172 4.340 0.006 0.000 0.209 503 L C 2.828 179.488 176.870 -0.350 0.000 1.083 503 L CA 1.053 55.641 54.840 -0.420 0.000 0.752 503 L CB -1.224 40.586 42.059 -0.414 0.000 0.899 503 L HN 0.296 nan 8.230 nan 0.000 0.433 504 A N 0.922 123.586 122.820 -0.259 0.000 1.902 504 A HA -0.222 4.102 4.320 0.006 0.000 0.217 504 A C 2.199 179.645 177.584 -0.229 0.000 1.181 504 A CA 1.714 53.614 52.037 -0.230 0.000 0.623 504 A CB -0.479 18.409 19.000 -0.188 0.000 0.818 504 A HN 0.631 nan 8.150 nan 0.000 0.443 505 E N -0.820 119.220 120.200 -0.267 0.000 2.150 505 E HA -0.188 4.166 4.350 0.006 0.000 0.193 505 E C 1.928 178.357 176.600 -0.285 0.000 0.985 505 E CA 0.714 56.955 56.400 -0.266 0.000 0.814 505 E CB -0.278 29.249 29.700 -0.287 0.000 0.752 505 E HN 0.357 nan 8.360 nan 0.000 0.466 506 R N 1.069 121.325 120.500 -0.408 0.000 2.066 506 R HA -0.039 4.305 4.340 0.006 0.000 0.232 506 R C 2.432 178.618 176.300 -0.189 0.000 1.131 506 R CA 1.370 57.263 56.100 -0.345 0.000 0.955 506 R CB -0.855 29.160 30.300 -0.475 0.000 0.851 506 R HN 0.275 nan 8.270 nan 0.000 0.432 507 R N 1.117 121.499 120.500 -0.197 0.000 2.105 507 R HA -0.106 4.238 4.340 0.006 0.000 0.239 507 R C 2.325 178.593 176.300 -0.055 0.000 1.135 507 R CA 1.474 57.497 56.100 -0.128 0.000 0.967 507 R CB -0.179 30.027 30.300 -0.157 0.000 0.861 507 R HN 0.111 nan 8.270 nan 0.000 0.442 508 R N 0.492 120.939 120.500 -0.087 0.000 2.073 508 R HA -0.099 4.244 4.340 0.006 0.000 0.234 508 R C 1.614 177.896 176.300 -0.031 0.000 1.134 508 R CA 2.034 58.102 56.100 -0.053 0.000 0.952 508 R CB -0.348 29.913 30.300 -0.065 0.000 0.850 508 R HN 0.438 nan 8.270 nan 0.000 0.433 509 N N -0.578 118.093 118.700 -0.048 0.000 2.309 509 N HA -0.193 4.550 4.740 0.006 0.000 0.182 509 N C 1.850 177.355 175.510 -0.007 0.000 1.018 509 N CA 0.701 53.730 53.050 -0.035 0.000 0.876 509 N CB -0.176 38.277 38.487 -0.057 0.000 0.972 509 N HN 0.353 nan 8.380 nan 0.000 0.434 510 H N 1.653 120.675 119.070 -0.079 0.000 2.372 510 H HA 0.028 4.587 4.556 0.006 0.000 0.301 510 H C 1.269 176.566 175.328 -0.050 0.000 1.065 510 H CA 1.210 57.220 56.048 -0.063 0.000 1.364 510 H CB 0.374 30.094 29.762 -0.070 0.000 1.406 510 H HN 0.285 nan 8.280 nan 0.000 0.521 511 E N 0.069 120.305 120.200 0.061 0.000 2.208 511 E HA -0.063 4.291 4.350 0.006 0.000 0.193 511 E C 2.363 178.928 176.600 -0.058 0.000 0.988 511 E CA 0.804 57.209 56.400 0.008 0.000 0.828 511 E CB 0.258 29.981 29.700 0.038 0.000 0.763 511 E HN 0.352 nan 8.360 nan 0.000 0.478 512 S N 0.856 116.525 115.700 -0.051 0.000 2.368 512 S HA -0.111 4.362 4.470 0.006 0.000 0.224 512 S C 2.134 176.692 174.600 -0.070 0.000 1.029 512 S CA 0.959 59.131 58.200 -0.046 0.000 0.988 512 S CB -0.069 63.115 63.200 -0.027 0.000 0.838 512 S HN 0.360 nan 8.310 nan 0.000 0.462 513 A N 1.353 124.110 122.820 -0.105 0.000 1.968 513 A HA 0.157 4.480 4.320 0.006 0.000 0.217 513 A C 2.255 179.750 177.584 -0.148 0.000 1.169 513 A CA 1.486 53.453 52.037 -0.118 0.000 0.638 513 A CB -1.178 17.744 19.000 -0.129 0.000 0.812 513 A HN 0.512 nan 8.150 nan 0.000 0.446 514 G N -0.929 107.740 108.800 -0.220 0.000 2.471 514 G HA2 0.175 4.139 3.960 0.006 0.000 0.219 514 G HA3 0.175 4.139 3.960 0.006 0.000 0.219 514 G C 0.904 175.742 174.900 -0.103 0.000 1.125 514 G CA 1.597 46.578 45.100 -0.199 0.000 0.775 514 G HN 0.811 nan 8.290 nan 0.000 0.548 515 T N 0.000 114.506 114.554 -0.080 0.000 3.816 515 T HA 0.000 4.354 4.350 0.006 0.000 0.228 515 T CA 0.000 62.070 62.100 -0.049 0.000 1.349 515 T CB 0.000 68.846 68.868 -0.037 0.000 0.612 515 T HN 0.000 nan 8.240 nan 0.000 0.658