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 2qb4_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 TL 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 0.000 176.015 176.300 -0.475 0.000 0.893 5 R CA 0.000 55.933 56.100 -0.278 0.000 0.921 5 R CB 0.000 30.116 30.300 -0.307 0.000 0.687 6 E N 1.898 121.891 120.200 -0.345 0.000 2.408 6 E HA 0.126 4.479 4.350 0.005 0.000 0.259 6 E C -0.737 175.526 176.600 -0.561 0.000 1.110 6 E CA 0.111 56.272 56.400 -0.398 0.000 0.929 6 E CB 0.571 30.000 29.700 -0.452 0.000 0.971 6 E HN 0.327 nan 8.360 nan 0.000 0.438 7 H N 0.578 119.537 119.070 -0.185 0.000 2.961 7 H HA 0.138 4.697 4.556 0.005 0.000 0.371 7 H C -0.954 174.246 175.328 -0.212 0.000 1.190 7 H CA -0.740 55.222 56.048 -0.144 0.000 1.138 7 H CB 0.489 30.247 29.762 -0.007 0.000 1.816 7 H HN 0.498 nan 8.280 nan 0.000 0.551 8 W N 1.054 122.435 121.300 0.134 0.000 2.223 8 W HA 0.268 4.931 4.660 0.005 0.000 0.334 8 W C 1.326 177.874 176.519 0.048 0.000 1.334 8 W CA 0.023 57.390 57.345 0.037 0.000 1.246 8 W CB 0.506 29.992 29.460 0.043 0.000 1.184 8 W HN 0.763 nan 8.180 nan 0.000 0.563 9 A N 2.358 125.315 122.820 0.227 0.000 1.872 9 A HA -0.015 4.307 4.320 0.005 0.000 0.214 9 A C 1.101 178.764 177.584 0.132 0.000 1.187 9 A CA 1.786 53.905 52.037 0.136 0.000 0.614 9 A CB -0.797 18.253 19.000 0.084 0.000 0.826 9 A HN 0.567 nan 8.150 nan 0.000 0.442 10 T N -5.069 109.571 114.554 0.143 0.000 2.916 10 T HA 0.563 4.915 4.350 0.005 0.000 0.292 10 T C 0.382 175.137 174.700 0.093 0.000 1.064 10 T CA -0.331 61.827 62.100 0.097 0.000 1.011 10 T CB 1.929 70.836 68.868 0.064 0.000 1.152 10 T HN 0.165 nan 8.240 nan 0.000 0.510 11 R N -0.231 120.305 120.500 0.061 0.000 2.092 11 R HA 0.100 4.443 4.340 0.005 0.000 0.231 11 R C 2.098 178.405 176.300 0.012 0.000 1.119 11 R CA 1.193 57.319 56.100 0.042 0.000 0.970 11 R CB -0.878 29.442 30.300 0.032 0.000 0.864 11 R HN 0.615 nan 8.270 nan 0.000 0.440 12 L N -0.121 121.108 121.223 0.011 0.000 2.056 12 L HA 0.105 4.448 4.340 0.005 0.000 0.207 12 L C 2.076 178.934 176.870 -0.020 0.000 1.078 12 L CA 2.346 57.181 54.840 -0.007 0.000 0.749 12 L CB -1.093 40.965 42.059 -0.002 0.000 0.901 12 L HN 0.270 nan 8.230 nan 0.000 0.433 13 G N -0.266 108.537 108.800 0.005 0.000 2.440 13 G HA2 -0.295 3.667 3.960 0.005 0.000 0.218 13 G HA3 -0.295 3.667 3.960 0.005 0.000 0.218 13 G C 1.576 176.414 174.900 -0.103 0.000 1.154 13 G CA 1.028 46.135 45.100 0.011 0.000 0.767 13 G HN 0.442 nan 8.290 nan 0.000 0.552 14 L N 0.729 121.853 121.223 -0.165 0.000 2.017 14 L HA -0.004 4.339 4.340 0.005 0.000 0.208 14 L C 2.526 179.184 176.870 -0.354 0.000 1.073 14 L CA 1.433 55.954 54.840 -0.531 0.000 0.745 14 L CB -0.389 41.468 42.059 -0.336 0.000 0.894 14 L HN 0.103 nan 8.230 nan 0.000 0.432 15 I N -0.363 120.134 120.570 -0.122 0.000 2.226 15 I HA -0.278 3.894 4.170 0.005 0.000 0.245 15 I C 2.590 178.676 176.117 -0.053 0.000 1.100 15 I CA 1.464 62.744 61.300 -0.034 0.000 1.374 15 I CB -1.223 36.767 38.000 -0.017 0.000 1.057 15 I HN 0.336 nan 8.210 nan 0.000 0.413 16 L N 0.379 121.558 121.223 -0.073 0.000 2.156 16 L HA -0.112 4.231 4.340 0.005 0.000 0.208 16 L C 2.768 179.606 176.870 -0.055 0.000 1.095 16 L CA 1.032 55.838 54.840 -0.057 0.000 0.770 16 L CB -0.637 41.390 42.059 -0.053 0.000 0.914 16 L HN 0.165 nan 8.230 nan 0.000 0.439 17 A N -0.205 122.547 122.820 -0.113 0.000 1.873 17 A HA -0.185 4.138 4.320 0.005 0.000 0.215 17 A C 2.327 179.947 177.584 0.059 0.000 1.186 17 A CA 1.322 53.327 52.037 -0.054 0.000 0.616 17 A CB -0.325 18.488 19.000 -0.312 0.000 0.823 17 A HN 0.227 nan 8.150 nan 0.000 0.442 18 M N -0.424 119.144 119.600 -0.054 0.000 2.175 18 M HA -0.103 4.380 4.480 0.005 0.000 0.264 18 M C 2.496 178.801 176.300 0.009 0.000 1.063 18 M CA 1.556 56.860 55.300 0.007 0.000 1.119 18 M CB -1.286 31.349 32.600 0.059 0.000 1.377 18 M HN 0.500 nan 8.290 nan 0.000 0.415 19 A N 0.014 122.840 122.820 0.011 0.000 1.969 19 A HA 0.008 4.331 4.320 0.005 0.000 0.218 19 A C 2.360 179.942 177.584 -0.002 0.000 1.169 19 A CA 1.840 53.880 52.037 0.005 0.000 0.635 19 A CB -1.243 17.754 19.000 -0.004 0.000 0.810 19 A HN 0.528 nan 8.150 nan 0.000 0.445 20 G N -0.192 108.610 108.800 0.003 0.000 2.464 20 G HA2 -0.217 3.746 3.960 0.005 0.000 0.217 20 G HA3 -0.217 3.746 3.960 0.005 0.000 0.217 20 G C 1.498 176.382 174.900 -0.027 0.000 1.138 20 G CA 0.966 46.071 45.100 0.008 0.000 0.793 20 G HN 0.543 nan 8.290 nan 0.000 0.539 21 N N 1.663 120.321 118.700 -0.069 0.000 2.084 21 N HA -0.075 4.668 4.740 0.005 0.000 0.190 21 N C 2.431 177.807 175.510 -0.225 0.000 1.030 21 N CA 1.678 54.588 53.050 -0.234 0.000 0.849 21 N CB -0.388 37.844 38.487 -0.424 0.000 1.012 21 N HN 0.222 nan 8.380 nan 0.000 0.423 22 A N 1.102 123.837 122.820 -0.142 0.000 1.854 22 A HA 0.085 4.408 4.320 0.005 0.000 0.214 22 A C 1.021 178.570 177.584 -0.057 0.000 1.192 22 A CA 0.596 52.568 52.037 -0.109 0.000 0.611 22 A CB -0.734 18.236 19.000 -0.049 0.000 0.832 22 A HN 0.087 nan 8.150 nan 0.000 0.442 23 V N 0.875 120.780 119.914 -0.014 0.000 2.403 23 V HA 0.492 4.615 4.120 0.005 0.000 0.265 23 V C 0.822 176.976 176.094 0.101 0.000 1.034 23 V CA 0.459 62.781 62.300 0.037 0.000 1.036 23 V CB -0.338 31.528 31.823 0.072 0.000 1.032 23 V HN 0.669 nan 8.190 nan 0.000 0.478 24 G N 2.947 111.833 108.800 0.143 0.000 2.896 24 G HA2 0.392 4.355 3.960 0.005 0.000 0.247 24 G HA3 0.392 4.355 3.960 0.005 0.000 0.247 24 G C 0.333 175.424 174.900 0.319 0.000 1.187 24 G CA -0.772 44.473 45.100 0.241 0.000 0.837 24 G HN 0.434 nan 8.290 nan 0.000 0.559 25 L N 1.046 122.468 121.223 0.332 0.000 2.187 25 L HA -0.003 4.340 4.340 0.005 0.000 0.213 25 L C 2.939 180.005 176.870 0.326 0.000 1.100 25 L CA 1.401 56.394 54.840 0.255 0.000 0.765 25 L CB -0.576 41.505 42.059 0.037 0.000 0.904 25 L HN 0.622 nan 8.230 nan 0.000 0.437 26 G N 0.192 109.270 108.800 0.463 0.000 2.432 26 G HA2 -0.247 3.716 3.960 0.005 0.000 0.219 26 G HA3 -0.247 3.716 3.960 0.005 0.000 0.219 26 G C 1.309 176.356 174.900 0.244 0.000 1.135 26 G CA 0.902 46.281 45.100 0.464 0.000 0.767 26 G HN 0.402 nan 8.290 nan 0.000 0.550 27 N N 0.156 118.898 118.700 0.070 0.000 2.171 27 N HA 0.016 4.759 4.740 0.005 0.000 0.184 27 N C 1.573 176.898 175.510 -0.308 0.000 1.021 27 N CA 1.026 53.925 53.050 -0.251 0.000 0.854 27 N CB -0.281 37.823 38.487 -0.639 0.000 0.994 27 N HN 0.366 nan 8.380 nan 0.000 0.426 28 F N -0.401 119.649 119.950 0.167 0.000 2.619 28 F HA 0.320 4.850 4.527 0.004 0.000 0.293 28 F C 1.634 177.570 175.800 0.226 0.000 1.119 28 F CA 0.294 58.412 58.000 0.198 0.000 1.445 28 F CB 0.071 39.113 39.000 0.070 0.000 1.119 28 F HN -0.055 nan 8.300 nan 0.000 0.573 29 L N -1.406 119.997 121.223 0.300 0.000 2.519 29 L HA 0.187 4.530 4.340 0.005 0.000 0.194 29 L C 2.439 179.392 176.870 0.140 0.000 1.072 29 L CA 0.260 55.242 54.840 0.237 0.000 0.845 29 L CB -0.389 41.813 42.059 0.239 0.000 1.138 29 L HN -0.174 nan 8.230 nan 0.000 0.487 30 R N 0.126 120.694 120.500 0.113 0.000 2.062 30 R HA -0.183 4.160 4.340 0.005 0.000 0.231 30 R C 2.391 178.699 176.300 0.013 0.000 1.136 30 R CA 1.854 57.959 56.100 0.009 0.000 0.948 30 R CB -0.371 29.894 30.300 -0.058 0.000 0.845 30 R HN 0.120 nan 8.270 nan 0.000 0.430 31 F N 1.875 121.804 119.950 -0.034 0.000 2.065 31 F HA -0.140 4.390 4.527 0.005 0.000 0.298 31 F C -1.173 174.526 175.800 -0.169 0.000 1.112 31 F CA 1.537 59.485 58.000 -0.087 0.000 1.212 31 F CB -1.103 37.852 39.000 -0.076 0.000 0.975 31 F HN 0.062 nan 8.300 nan 0.000 0.476 32 P HA -0.171 nan 4.420 nan 0.000 0.215 32 P C 2.111 179.207 177.300 -0.340 0.000 1.153 32 P CA 1.984 64.910 63.100 -0.290 0.000 0.853 32 P CB -0.066 31.623 31.700 -0.019 0.000 0.788 33 V N -0.239 119.526 119.914 -0.248 0.000 2.307 33 V HA -0.249 3.874 4.120 0.005 0.000 0.245 33 V C 2.540 178.406 176.094 -0.381 0.000 1.045 33 V CA 1.716 63.868 62.300 -0.247 0.000 1.024 33 V CB -1.157 30.558 31.823 -0.180 0.000 0.651 33 V HN 0.133 nan 8.190 nan 0.000 0.449 34 Q N 0.046 119.548 119.800 -0.496 0.000 2.061 34 Q HA -0.173 4.170 4.340 0.005 0.000 0.204 34 Q C 2.434 177.713 176.000 -1.203 0.000 0.984 34 Q CA 2.082 57.451 55.803 -0.724 0.000 0.846 34 Q CB -0.759 27.586 28.738 -0.656 0.000 0.902 34 Q HN 0.648 nan 8.270 nan 0.000 0.421 35 A N 1.112 123.115 122.820 -1.362 0.000 1.873 35 A HA -0.033 4.290 4.320 0.005 0.000 0.215 35 A C 2.353 179.587 177.584 -0.583 0.000 1.186 35 A CA 1.917 53.220 52.037 -1.223 0.000 0.616 35 A CB -0.742 17.564 19.000 -1.157 0.000 0.823 35 A HN 0.366 nan 8.150 nan 0.000 0.442 36 A N -0.635 121.970 122.820 -0.359 0.000 1.972 36 A HA -0.162 4.161 4.320 0.005 0.000 0.219 36 A C 1.962 179.506 177.584 -0.067 0.000 1.169 36 A CA 1.781 53.802 52.037 -0.026 0.000 0.635 36 A CB -0.456 18.505 19.000 -0.065 0.000 0.810 36 A HN 0.649 nan 8.150 nan 0.000 0.446 37 E N -0.229 119.842 120.200 -0.215 0.000 2.208 37 E HA -0.064 4.289 4.350 0.005 0.000 0.193 37 E C 0.334 176.839 176.600 -0.157 0.000 0.988 37 E CA 0.644 56.937 56.400 -0.179 0.000 0.828 37 E CB 0.049 29.616 29.700 -0.222 0.000 0.763 37 E HN 0.550 nan 8.360 nan 0.000 0.478 38 N N -0.508 118.054 118.700 -0.230 0.000 2.389 38 N HA 0.104 4.847 4.740 0.005 0.000 0.260 38 N C 0.054 175.510 175.510 -0.089 0.000 1.191 38 N CA 0.652 53.619 53.050 -0.138 0.000 0.885 38 N CB 1.522 39.942 38.487 -0.112 0.000 1.162 38 N HN 0.225 nan 8.380 nan 0.000 0.512 39 G N 0.346 109.110 108.800 -0.059 0.000 2.143 39 G HA2 -0.272 3.690 3.960 0.005 0.000 0.249 39 G HA3 -0.272 3.690 3.960 0.005 0.000 0.249 39 G C 0.896 175.577 174.900 -0.364 0.000 0.981 39 G CA 0.429 45.489 45.100 -0.066 0.000 0.665 39 G HN 0.695 nan 8.290 nan 0.000 0.528 40 G N -0.245 108.227 108.800 -0.546 0.000 2.677 40 G HA2 -0.039 3.924 3.960 0.005 0.000 0.321 40 G HA3 -0.039 3.924 3.960 0.005 0.000 0.321 40 G C 2.148 176.669 174.900 -0.632 0.000 1.181 40 G CA 2.042 46.524 45.100 -1.029 0.000 0.965 40 G HN 1.938 nan 8.290 nan 0.000 0.548 41 G N 0.593 109.007 108.800 -0.644 0.000 2.462 41 G HA2 0.192 4.155 3.960 0.005 0.000 0.220 41 G HA3 0.192 4.155 3.960 0.005 0.000 0.220 41 G C 2.074 176.791 174.900 -0.305 0.000 1.121 41 G CA 2.874 47.727 45.100 -0.411 0.000 0.758 41 G HN 1.836 nan 8.290 nan 0.000 0.559 42 A N 0.125 122.782 122.820 -0.270 0.000 2.015 42 A HA 0.124 4.447 4.320 0.005 0.000 0.219 42 A C 2.068 179.557 177.584 -0.158 0.000 1.163 42 A CA 1.375 53.295 52.037 -0.196 0.000 0.646 42 A CB -0.402 18.516 19.000 -0.136 0.000 0.806 42 A HN 0.444 nan 8.150 nan 0.000 0.448 43 F N -0.221 119.540 119.950 -0.314 0.000 2.293 43 F HA -0.041 4.489 4.527 0.004 0.000 0.297 43 F C 2.034 177.685 175.800 -0.247 0.000 1.089 43 F CA 1.220 59.044 58.000 -0.294 0.000 1.377 43 F CB -0.097 38.702 39.000 -0.334 0.000 1.051 43 F HN 0.058 nan 8.300 nan 0.000 0.511 44 M N 0.133 119.577 119.600 -0.259 0.000 2.213 44 M HA -0.182 4.301 4.480 0.005 0.000 0.263 44 M C 2.159 178.358 176.300 -0.167 0.000 1.062 44 M CA 1.084 56.231 55.300 -0.256 0.000 1.105 44 M CB -1.141 31.288 32.600 -0.285 0.000 1.385 44 M HN 0.170 nan 8.290 nan 0.000 0.417 45 I N 0.344 120.799 120.570 -0.193 0.000 2.163 45 I HA -0.163 4.010 4.170 0.005 0.000 0.240 45 I C -0.356 175.620 176.117 -0.236 0.000 1.081 45 I CA 1.517 62.744 61.300 -0.120 0.000 1.353 45 I CB -2.801 35.163 38.000 -0.059 0.000 1.054 45 I HN 0.107 nan 8.210 nan 0.000 0.407 46 P HA -0.195 nan 4.420 nan 0.000 0.218 46 P C 1.866 178.885 177.300 -0.469 0.000 1.149 46 P CA 1.288 63.820 63.100 -0.948 0.000 0.817 46 P CB -0.201 30.573 31.700 -1.544 0.000 0.785 47 Y N 0.376 120.324 120.300 -0.588 0.000 2.097 47 Y HA -0.205 4.348 4.550 0.005 0.000 0.282 47 Y C 2.076 177.896 175.900 -0.134 0.000 1.152 47 Y CA 1.576 59.419 58.100 -0.429 0.000 1.136 47 Y CB -0.925 37.188 38.460 -0.578 0.000 0.975 47 Y HN -0.183 nan 8.280 nan 0.000 0.498 48 I N -0.321 120.249 120.570 -0.000 0.000 2.226 48 I HA -0.323 3.850 4.170 0.005 0.000 0.245 48 I C 2.278 178.425 176.117 0.050 0.000 1.100 48 I CA 1.499 62.831 61.300 0.054 0.000 1.374 48 I CB -0.385 37.691 38.000 0.127 0.000 1.057 48 I HN 0.264 nan 8.210 nan 0.000 0.413 49 I N 0.722 121.305 120.570 0.021 0.000 2.252 49 I HA -0.262 3.911 4.170 0.005 0.000 0.245 49 I C 2.789 178.899 176.117 -0.012 0.000 1.102 49 I CA 1.246 62.579 61.300 0.055 0.000 1.385 49 I CB -0.409 37.702 38.000 0.186 0.000 1.064 49 I HN 0.171 nan 8.210 nan 0.000 0.414 50 A N 0.637 123.453 122.820 -0.007 0.000 1.902 50 A HA -0.260 4.063 4.320 0.005 0.000 0.217 50 A C 2.217 179.740 177.584 -0.102 0.000 1.181 50 A CA 1.389 53.413 52.037 -0.020 0.000 0.623 50 A CB -0.935 18.117 19.000 0.086 0.000 0.818 50 A HN 0.453 nan 8.150 nan 0.000 0.443 51 F N 0.640 120.420 119.950 -0.284 0.000 2.134 51 F HA -0.133 4.397 4.527 0.005 0.000 0.299 51 F C 1.827 177.512 175.800 -0.192 0.000 1.097 51 F CA 1.691 59.516 58.000 -0.292 0.000 1.264 51 F CB -0.283 38.514 39.000 -0.338 0.000 1.001 51 F HN 0.141 nan 8.300 nan 0.000 0.479 52 L N -0.569 120.525 121.223 -0.215 0.000 2.131 52 L HA -0.135 4.208 4.340 0.005 0.000 0.206 52 L C 2.168 178.977 176.870 -0.102 0.000 1.087 52 L CA 0.899 55.627 54.840 -0.188 0.000 0.767 52 L CB -0.502 41.550 42.059 -0.012 0.000 0.917 52 L HN 0.179 nan 8.230 nan 0.000 0.441 53 L N -1.844 119.279 121.223 -0.167 0.000 2.477 53 L HA 0.043 4.386 4.340 0.005 0.000 0.220 53 L C 1.662 178.403 176.870 -0.214 0.000 1.106 53 L CA -0.020 54.709 54.840 -0.186 0.000 0.851 53 L CB 0.419 42.250 42.059 -0.380 0.000 0.994 53 L HN 0.026 nan 8.230 nan 0.000 0.462 54 V N -1.452 118.313 119.914 -0.249 0.000 3.102 54 V HA 0.203 4.326 4.120 0.005 0.000 0.225 54 V C 2.284 178.168 176.094 -0.350 0.000 1.301 54 V CA 0.951 63.116 62.300 -0.225 0.000 1.308 54 V CB -0.195 31.570 31.823 -0.097 0.000 1.129 54 V HN 0.288 nan 8.190 nan 0.000 0.502 55 G N 0.889 109.457 108.800 -0.387 0.000 2.514 55 G HA2 -0.237 3.726 3.960 0.005 0.000 0.217 55 G HA3 -0.237 3.726 3.960 0.005 0.000 0.217 55 G C 1.518 176.076 174.900 -0.571 0.000 1.198 55 G CA 1.539 46.384 45.100 -0.425 0.000 0.780 55 G HN 0.422 nan 8.290 nan 0.000 0.565 56 I N 2.048 122.098 120.570 -0.866 0.000 2.142 56 I HA -0.119 4.054 4.170 0.005 0.000 0.240 56 I C 0.209 175.765 176.117 -0.933 0.000 1.078 56 I CA 1.332 61.992 61.300 -1.067 0.000 1.343 56 I CB -0.972 36.294 38.000 -1.225 0.000 1.046 56 I HN 0.211 nan 8.210 nan 0.000 0.405 57 P HA -0.184 nan 4.420 nan 0.000 0.215 57 P C 2.038 179.230 177.300 -0.180 0.000 1.157 57 P CA 1.707 64.620 63.100 -0.311 0.000 0.868 57 P CB -0.077 31.511 31.700 -0.186 0.000 0.788 58 L N -1.844 119.240 121.223 -0.231 0.000 2.141 58 L HA -0.142 4.201 4.340 0.005 0.000 0.209 58 L C 2.823 179.643 176.870 -0.084 0.000 1.094 58 L CA 1.212 55.965 54.840 -0.146 0.000 0.763 58 L CB -0.687 41.247 42.059 -0.208 0.000 0.908 58 L HN -0.011 nan 8.230 nan 0.000 0.437 59 M N -0.585 118.907 119.600 -0.181 0.000 2.067 59 M HA -0.246 4.237 4.480 0.005 0.000 0.260 59 M C 1.978 178.341 176.300 0.105 0.000 1.069 59 M CA 2.006 57.267 55.300 -0.065 0.000 1.117 59 M CB -0.557 31.879 32.600 -0.274 0.000 1.334 59 M HN 0.150 nan 8.290 nan 0.000 0.407 60 W N 0.381 121.628 121.300 -0.089 0.000 2.338 60 W HA -0.136 4.527 4.660 0.005 0.000 0.304 60 W C 2.343 178.886 176.519 0.040 0.000 1.212 60 W CA 1.259 58.550 57.345 -0.090 0.000 1.264 60 W CB -1.238 28.114 29.460 -0.180 0.000 1.142 60 W HN 0.283 nan 8.180 nan 0.000 0.512 61 I N 0.166 120.891 120.570 0.259 0.000 2.226 61 I HA -0.296 3.877 4.170 0.005 0.000 0.245 61 I C 2.251 178.366 176.117 -0.004 0.000 1.100 61 I CA 1.513 62.910 61.300 0.163 0.000 1.374 61 I CB -0.522 37.565 38.000 0.145 0.000 1.057 61 I HN -0.020 nan 8.210 nan 0.000 0.413 62 E N -0.226 120.021 120.200 0.080 0.000 2.106 62 E HA -0.226 4.127 4.350 0.005 0.000 0.192 62 E C 2.054 178.720 176.600 0.109 0.000 0.984 62 E CA 1.258 57.690 56.400 0.054 0.000 0.806 62 E CB -0.144 29.604 29.700 0.080 0.000 0.750 62 E HN 0.487 nan 8.360 nan 0.000 0.458 63 W N 1.089 122.398 121.300 0.015 0.000 2.358 63 W HA -0.149 4.514 4.660 0.005 0.000 0.303 63 W C 2.567 179.106 176.519 0.033 0.000 1.208 63 W CA 1.451 58.828 57.345 0.054 0.000 1.274 63 W CB -0.496 29.023 29.460 0.098 0.000 1.138 63 W HN 0.078 nan 8.180 nan 0.000 0.515 64 A N -0.336 122.630 122.820 0.242 0.000 1.877 64 A HA -0.223 4.100 4.320 0.005 0.000 0.216 64 A C 1.954 179.517 177.584 -0.036 0.000 1.186 64 A CA 2.034 54.142 52.037 0.118 0.000 0.620 64 A CB -0.892 18.187 19.000 0.132 0.000 0.822 64 A HN 0.249 nan 8.150 nan 0.000 0.443 65 M N -0.543 118.880 119.600 -0.294 0.000 2.108 65 M HA -0.115 4.368 4.480 0.005 0.000 0.261 65 M C 2.316 178.610 176.300 -0.009 0.000 1.066 65 M CA 1.487 56.610 55.300 -0.295 0.000 1.107 65 M CB -0.667 31.713 32.600 -0.367 0.000 1.356 65 M HN 0.522 nan 8.290 nan 0.000 0.406 66 G N 0.031 108.835 108.800 0.007 0.000 2.433 66 G HA2 -0.235 3.728 3.960 0.005 0.000 0.216 66 G HA3 -0.235 3.728 3.960 0.005 0.000 0.216 66 G C 1.576 176.507 174.900 0.052 0.000 1.186 66 G CA 0.897 46.008 45.100 0.019 0.000 0.779 66 G HN 0.391 nan 8.290 nan 0.000 0.543 67 R N -0.982 119.587 120.500 0.114 0.000 2.081 67 R HA -0.146 4.197 4.340 0.005 0.000 0.235 67 R C 2.268 178.655 176.300 0.146 0.000 1.131 67 R CA 1.512 57.698 56.100 0.144 0.000 0.960 67 R CB -0.528 29.895 30.300 0.204 0.000 0.856 67 R HN 0.435 nan 8.270 nan 0.000 0.436 68 Y N 0.270 120.597 120.300 0.045 0.000 2.145 68 Y HA -0.092 4.461 4.550 0.005 0.000 0.286 68 Y C 2.109 178.035 175.900 0.043 0.000 1.145 68 Y CA 1.998 60.128 58.100 0.050 0.000 1.148 68 Y CB -0.704 37.775 38.460 0.030 0.000 0.981 68 Y HN 0.160 nan 8.280 nan 0.000 0.507 69 G N -0.839 108.016 108.800 0.092 0.000 2.402 69 G HA2 -0.191 3.772 3.960 0.005 0.000 0.216 69 G HA3 -0.191 3.772 3.960 0.005 0.000 0.216 69 G C 1.910 176.793 174.900 -0.028 0.000 1.162 69 G CA 0.631 45.750 45.100 0.032 0.000 0.777 69 G HN 0.602 nan 8.290 nan 0.000 0.539 70 G N 1.175 109.945 108.800 -0.051 0.000 2.442 70 G HA2 0.010 3.973 3.960 0.005 0.000 0.219 70 G HA3 0.010 3.973 3.960 0.005 0.000 0.219 70 G C 1.992 176.849 174.900 -0.072 0.000 1.141 70 G CA 1.460 46.496 45.100 -0.107 0.000 0.763 70 G HN 0.649 nan 8.290 nan 0.000 0.554 71 A N -0.013 122.775 122.820 -0.052 0.000 2.070 71 A HA -0.019 4.304 4.320 0.005 0.000 0.220 71 A C 2.133 179.666 177.584 -0.085 0.000 1.159 71 A CA 1.529 53.538 52.037 -0.047 0.000 0.656 71 A CB -0.154 18.808 19.000 -0.063 0.000 0.800 71 A HN 0.493 nan 8.150 nan 0.000 0.453 72 Q N -1.725 118.006 119.800 -0.116 0.000 2.198 72 Q HA 0.331 4.674 4.340 0.005 0.000 0.209 72 Q C 0.753 176.639 176.000 -0.189 0.000 0.848 72 Q CA 0.211 55.958 55.803 -0.093 0.000 0.974 72 Q CB 0.497 29.214 28.738 -0.035 0.000 1.115 72 Q HN 0.808 nan 8.270 nan 0.000 0.494 73 G N 1.583 110.242 108.800 -0.235 0.000 2.137 73 G HA2 -0.204 3.759 3.960 0.005 0.000 0.237 73 G HA3 -0.204 3.759 3.960 0.005 0.000 0.237 73 G C -0.371 174.167 174.900 -0.602 0.000 1.002 73 G CA -0.236 44.632 45.100 -0.387 0.000 0.702 73 G HN 0.420 nan 8.290 nan 0.000 0.515 74 H N -0.971 118.040 119.070 -0.099 0.000 2.609 74 H HA 0.558 5.117 4.556 0.005 0.000 0.344 74 H C 0.920 176.185 175.328 -0.106 0.000 1.040 74 H CA -0.003 55.997 56.048 -0.080 0.000 1.216 74 H CB 1.623 31.367 29.762 -0.030 0.000 1.529 74 H HN 0.256 nan 8.280 nan 0.000 0.519 75 G N 1.936 110.730 108.800 -0.010 0.000 3.062 75 G HA2 0.013 3.976 3.960 0.005 0.000 0.228 75 G HA3 0.013 3.976 3.960 0.005 0.000 0.228 75 G C 0.409 175.313 174.900 0.006 0.000 1.094 75 G CA 0.145 45.191 45.100 -0.090 0.000 0.782 75 G HN 0.578 nan 8.290 nan 0.000 0.541 76 T N -3.059 111.536 114.554 0.068 0.000 2.932 76 T HA 0.440 4.793 4.350 0.005 0.000 0.289 76 T C 1.570 176.271 174.700 0.001 0.000 1.039 76 T CA 0.434 62.568 62.100 0.057 0.000 1.024 76 T CB 1.535 70.470 68.868 0.113 0.000 1.090 76 T HN 0.032 nan 8.240 nan 0.000 0.496 77 T N -1.684 112.808 114.554 -0.104 0.000 2.833 77 T HA -0.003 4.350 4.350 0.005 0.000 0.269 77 T C -1.027 173.474 174.700 -0.332 0.000 1.054 77 T CA 0.964 62.843 62.100 -0.367 0.000 1.135 77 T CB -1.841 66.596 68.868 -0.718 0.000 0.869 77 T HN 0.452 nan 8.240 nan 0.000 0.466 78 P HA 0.015 nan 4.420 nan 0.000 0.215 78 P C 1.791 179.090 177.300 -0.002 0.000 1.153 78 P CA 1.642 64.685 63.100 -0.094 0.000 0.853 78 P CB -0.330 31.317 31.700 -0.089 0.000 0.788 79 A N -1.095 121.720 122.820 -0.009 0.000 1.878 79 A HA -0.070 4.253 4.320 0.005 0.000 0.213 79 A C 2.189 179.792 177.584 0.032 0.000 1.192 79 A CA 0.989 52.975 52.037 -0.084 0.000 0.619 79 A CB -1.428 17.366 19.000 -0.343 0.000 0.837 79 A HN 0.053 nan 8.150 nan 0.000 0.446 80 I N -1.165 119.454 120.570 0.081 0.000 2.226 80 I HA -0.235 3.938 4.170 0.005 0.000 0.245 80 I C 2.174 178.504 176.117 0.356 0.000 1.100 80 I CA 1.217 62.632 61.300 0.191 0.000 1.374 80 I CB -0.436 37.668 38.000 0.173 0.000 1.057 80 I HN 0.220 nan 8.210 nan 0.000 0.413 81 F N 0.157 120.189 119.950 0.138 0.000 2.171 81 F HA -0.249 4.281 4.527 0.005 0.000 0.300 81 F C 2.477 178.424 175.800 0.246 0.000 1.090 81 F CA 1.109 59.219 58.000 0.184 0.000 1.293 81 F CB -1.269 37.852 39.000 0.201 0.000 1.013 81 F HN 0.100 nan 8.300 nan 0.000 0.486 82 Y N 0.135 120.593 120.300 0.263 0.000 2.314 82 Y HA -0.098 4.454 4.550 0.005 0.000 0.293 82 Y C 2.149 178.139 175.900 0.151 0.000 1.129 82 Y CA 1.134 59.315 58.100 0.135 0.000 1.201 82 Y CB -0.464 38.013 38.460 0.027 0.000 0.999 82 Y HN -0.034 nan 8.280 nan 0.000 0.541 83 L N -0.778 120.543 121.223 0.163 0.000 2.093 83 L HA -0.227 4.116 4.340 0.005 0.000 0.208 83 L C 2.140 179.126 176.870 0.193 0.000 1.085 83 L CA 1.173 56.096 54.840 0.138 0.000 0.755 83 L CB -0.477 41.710 42.059 0.214 0.000 0.904 83 L HN 0.245 nan 8.230 nan 0.000 0.435 84 L N -2.360 118.974 121.223 0.185 0.000 2.270 84 L HA -0.065 4.278 4.340 0.005 0.000 0.210 84 L C 0.320 177.411 176.870 0.368 0.000 1.104 84 L CA 0.246 55.163 54.840 0.127 0.000 0.804 84 L CB -0.003 42.026 42.059 -0.051 0.000 0.937 84 L HN 0.320 nan 8.230 nan 0.000 0.450 85 W N 0.757 122.094 121.300 0.062 0.000 2.642 85 W HA 0.317 4.980 4.660 0.005 0.000 0.304 85 W C -0.474 176.003 176.519 -0.069 0.000 1.023 85 W CA -1.444 55.929 57.345 0.047 0.000 1.290 85 W CB 0.442 29.950 29.460 0.082 0.000 1.190 85 W HN -0.207 nan 8.180 nan 0.000 0.374 86 R N 4.340 124.725 120.500 -0.191 0.000 3.641 86 R HA 0.082 4.425 4.340 0.005 0.000 0.189 86 R C 0.036 176.117 176.300 -0.365 0.000 1.706 86 R CA 0.245 55.943 56.100 -0.669 0.000 1.311 86 R CB -0.410 29.595 30.300 -0.492 0.000 1.330 86 R HN 0.225 nan 8.270 nan 0.000 0.727 87 N N 0.705 119.165 118.700 -0.400 0.000 2.310 87 N HA 0.089 4.832 4.740 0.005 0.000 0.292 87 N C 0.368 175.807 175.510 -0.119 0.000 1.049 87 N CA -0.515 52.293 53.050 -0.404 0.000 0.849 87 N CB 1.455 39.221 38.487 -1.202 0.000 1.532 87 N HN 0.185 nan 8.380 nan 0.000 0.479 88 R N 2.234 122.749 120.500 0.024 0.000 2.154 88 R HA -0.163 4.180 4.340 0.005 0.000 0.248 88 R C 1.418 177.751 176.300 0.056 0.000 1.155 88 R CA 1.691 57.805 56.100 0.023 0.000 0.979 88 R CB -0.262 30.060 30.300 0.037 0.000 0.869 88 R HN 0.560 nan 8.270 nan 0.000 0.452 89 F N 0.661 120.512 119.950 -0.164 0.000 2.333 89 F HA -0.016 4.514 4.527 0.005 0.000 0.300 89 F C 1.944 177.744 175.800 0.001 0.000 1.083 89 F CA 0.843 58.804 58.000 -0.066 0.000 1.395 89 F CB -0.380 38.596 39.000 -0.040 0.000 1.056 89 F HN 0.111 nan 8.300 nan 0.000 0.529 90 A N -0.021 122.699 122.820 -0.166 0.000 1.930 90 A HA -0.176 4.146 4.320 0.005 0.000 0.217 90 A C 2.301 180.026 177.584 0.236 0.000 1.175 90 A CA 1.564 53.670 52.037 0.115 0.000 0.627 90 A CB -0.507 18.592 19.000 0.164 0.000 0.815 90 A HN 0.401 nan 8.150 nan 0.000 0.443 91 K N -0.396 120.065 120.400 0.102 0.000 2.097 91 K HA 0.004 4.327 4.320 0.005 0.000 0.205 91 K C 1.734 178.330 176.600 -0.007 0.000 1.050 91 K CA 1.423 57.722 56.287 0.019 0.000 0.938 91 K CB -0.309 32.119 32.500 -0.120 0.000 0.718 91 K HN 0.534 nan 8.250 nan 0.000 0.442 92 I N 1.079 121.647 120.570 -0.004 0.000 2.252 92 I HA -0.256 3.917 4.170 0.005 0.000 0.245 92 I C 2.137 178.294 176.117 0.067 0.000 1.102 92 I CA 1.112 62.411 61.300 -0.001 0.000 1.385 92 I CB -0.238 37.809 38.000 0.077 0.000 1.064 92 I HN 0.101 nan 8.210 nan 0.000 0.414 93 L N 0.560 121.823 121.223 0.067 0.000 2.131 93 L HA -0.121 4.222 4.340 0.005 0.000 0.210 93 L C 2.609 179.834 176.870 0.592 0.000 1.092 93 L CA 1.353 56.431 54.840 0.397 0.000 0.759 93 L CB -0.990 41.252 42.059 0.305 0.000 0.903 93 L HN 0.332 nan 8.230 nan 0.000 0.435 94 G N -0.600 108.389 108.800 0.314 0.000 2.470 94 G HA2 -0.161 3.801 3.960 0.005 0.000 0.220 94 G HA3 -0.161 3.801 3.960 0.005 0.000 0.220 94 G C 1.565 176.392 174.900 -0.121 0.000 1.121 94 G CA 0.592 45.638 45.100 -0.090 0.000 0.766 94 G HN 0.209 nan 8.290 nan 0.000 0.553 95 V N 0.405 120.214 119.914 -0.175 0.000 2.469 95 V HA -0.170 3.953 4.120 0.005 0.000 0.251 95 V C 2.394 178.267 176.094 -0.368 0.000 1.064 95 V CA 1.327 63.351 62.300 -0.461 0.000 1.066 95 V CB -0.646 30.631 31.823 -0.910 0.000 0.667 95 V HN 0.345 nan 8.190 nan 0.000 0.461 96 F N 1.350 121.279 119.950 -0.035 0.000 2.333 96 F HA -0.036 4.494 4.527 0.005 0.000 0.300 96 F C 2.297 177.765 175.800 -0.553 0.000 1.083 96 F CA 1.339 59.288 58.000 -0.085 0.000 1.395 96 F CB -0.904 38.073 39.000 -0.037 0.000 1.056 96 F HN 0.235 nan 8.300 nan 0.000 0.529 97 G N -0.863 107.656 108.800 -0.468 0.000 2.744 97 G HA2 -0.007 3.956 3.960 0.005 0.000 0.211 97 G HA3 -0.007 3.956 3.960 0.005 0.000 0.211 97 G C 1.463 176.252 174.900 -0.185 0.000 1.143 97 G CA 0.404 45.264 45.100 -0.400 0.000 0.788 97 G HN 0.361 nan 8.290 nan 0.000 0.534 98 L N -2.503 118.610 121.223 -0.182 0.000 2.547 98 L HA 0.283 4.626 4.340 0.005 0.000 0.218 98 L C 2.320 179.159 176.870 -0.052 0.000 1.048 98 L CA -0.201 54.545 54.840 -0.157 0.000 0.859 98 L CB -0.168 41.692 42.059 -0.332 0.000 1.128 98 L HN 0.319 nan 8.230 nan 0.000 0.483 99 W N 1.816 122.983 121.300 -0.223 0.000 2.378 99 W HA -0.131 4.532 4.660 0.005 0.000 0.313 99 W C 2.188 178.716 176.519 0.014 0.000 1.197 99 W CA 1.623 58.909 57.345 -0.098 0.000 1.304 99 W CB -0.081 29.340 29.460 -0.067 0.000 1.148 99 W HN -0.075 nan 8.180 nan 0.000 0.494 100 I N 1.910 122.562 120.570 0.137 0.000 2.127 100 I HA -0.284 3.889 4.170 0.005 0.000 0.241 100 I C -0.291 175.786 176.117 -0.066 0.000 1.075 100 I CA 1.708 62.975 61.300 -0.055 0.000 1.334 100 I CB -2.051 35.944 38.000 -0.009 0.000 1.040 100 I HN -0.042 nan 8.210 nan 0.000 0.405 101 P HA -0.175 nan 4.420 nan 0.000 0.218 101 P C 1.898 179.164 177.300 -0.057 0.000 1.149 101 P CA 1.331 64.440 63.100 0.015 0.000 0.817 101 P CB -0.004 31.702 31.700 0.011 0.000 0.785 102 L N 0.086 121.264 121.223 -0.074 0.000 2.027 102 L HA -0.083 4.260 4.340 0.005 0.000 0.206 102 L C 2.482 179.303 176.870 -0.083 0.000 1.074 102 L CA 1.644 56.453 54.840 -0.051 0.000 0.745 102 L CB -1.187 40.859 42.059 -0.022 0.000 0.898 102 L HN -0.249 nan 8.230 nan 0.000 0.433 103 V N -1.230 118.547 119.914 -0.228 0.000 2.427 103 V HA -0.233 3.890 4.120 0.005 0.000 0.248 103 V C 2.452 178.533 176.094 -0.023 0.000 1.051 103 V CA 1.506 63.692 62.300 -0.190 0.000 1.048 103 V CB -0.322 31.171 31.823 -0.549 0.000 0.666 103 V HN 0.335 nan 8.190 nan 0.000 0.456 104 V N 0.302 120.167 119.914 -0.081 0.000 2.427 104 V HA -0.205 3.918 4.120 0.005 0.000 0.248 104 V C 2.683 178.511 176.094 -0.442 0.000 1.051 104 V CA 1.824 63.972 62.300 -0.253 0.000 1.048 104 V CB -1.001 30.802 31.823 -0.033 0.000 0.666 104 V HN 0.553 nan 8.190 nan 0.000 0.456 105 A N 0.004 122.707 122.820 -0.196 0.000 1.933 105 A HA -0.170 4.152 4.320 0.005 0.000 0.218 105 A C 2.155 179.744 177.584 0.009 0.000 1.175 105 A CA 1.726 53.706 52.037 -0.096 0.000 0.628 105 A CB -0.578 18.399 19.000 -0.038 0.000 0.814 105 A HN 0.513 nan 8.150 nan 0.000 0.444 106 I N -1.093 119.503 120.570 0.043 0.000 2.423 106 I HA -0.311 3.862 4.170 0.005 0.000 0.254 106 I C 2.322 178.545 176.117 0.177 0.000 1.151 106 I CA 1.916 63.302 61.300 0.143 0.000 1.421 106 I CB -0.278 37.824 38.000 0.171 0.000 1.079 106 I HN 0.772 nan 8.210 nan 0.000 0.431 107 Y N -2.884 117.503 120.300 0.146 0.000 2.535 107 Y HA 0.098 4.651 4.550 0.005 0.000 0.264 107 Y C 2.211 178.194 175.900 0.138 0.000 1.087 107 Y CA -0.324 57.852 58.100 0.127 0.000 1.285 107 Y CB -1.051 37.488 38.460 0.131 0.000 1.200 107 Y HN -0.029 nan 8.280 nan 0.000 0.514 108 Y N 1.495 121.551 120.300 -0.407 0.000 2.145 108 Y HA -0.167 4.386 4.550 0.005 0.000 0.286 108 Y C 2.275 178.129 175.900 -0.076 0.000 1.145 108 Y CA 2.260 60.217 58.100 -0.238 0.000 1.148 108 Y CB -0.220 38.046 38.460 -0.324 0.000 0.981 108 Y HN 0.026 nan 8.280 nan 0.000 0.507 109 V N -0.526 119.524 119.914 0.226 0.000 2.490 109 V HA -0.306 3.817 4.120 0.005 0.000 0.250 109 V C 1.938 178.219 176.094 0.312 0.000 1.061 109 V CA 2.037 64.498 62.300 0.267 0.000 1.064 109 V CB -1.060 30.953 31.823 0.316 0.000 0.670 109 V HN 0.523 nan 8.190 nan 0.000 0.461 110 Y N 0.652 120.998 120.300 0.077 0.000 2.200 110 Y HA -0.161 4.392 4.550 0.005 0.000 0.290 110 Y C 2.229 177.748 175.900 -0.634 0.000 1.137 110 Y CA 1.295 59.292 58.100 -0.171 0.000 1.163 110 Y CB -0.299 37.932 38.460 -0.382 0.000 0.988 110 Y HN 0.194 nan 8.280 nan 0.000 0.518 111 I N 0.124 120.135 120.570 -0.932 0.000 2.286 111 I HA -0.286 3.887 4.170 0.005 0.000 0.248 111 I C 2.505 178.131 176.117 -0.818 0.000 1.115 111 I CA 1.827 62.148 61.300 -1.632 0.000 1.392 111 I CB -0.478 36.898 38.000 -1.040 0.000 1.065 111 I HN 0.294 nan 8.210 nan 0.000 0.418 112 E N 1.189 121.146 120.200 -0.405 0.000 2.110 112 E HA -0.259 4.094 4.350 0.005 0.000 0.193 112 E C 2.259 178.933 176.600 0.125 0.000 0.988 112 E CA 1.825 58.173 56.400 -0.086 0.000 0.804 112 E CB 0.028 29.730 29.700 0.004 0.000 0.745 112 E HN 0.537 nan 8.360 nan 0.000 0.458 113 S N -0.316 115.449 115.700 0.107 0.000 2.423 113 S HA -0.143 4.330 4.470 0.005 0.000 0.231 113 S C 1.632 176.390 174.600 0.262 0.000 1.014 113 S CA 0.768 59.115 58.200 0.247 0.000 0.965 113 S CB -0.646 62.815 63.200 0.435 0.000 0.785 113 S HN 0.412 nan 8.310 nan 0.000 0.495 114 W N 2.977 124.231 121.300 -0.076 0.000 2.363 114 W HA 0.006 4.669 4.660 0.004 0.000 0.296 114 W C 3.038 179.482 176.519 -0.125 0.000 1.212 114 W CA 1.342 58.559 57.345 -0.213 0.000 1.260 114 W CB -1.847 27.234 29.460 -0.632 0.000 1.131 114 W HN 0.620 nan 8.180 nan 0.000 0.530 115 T N -1.095 113.601 114.554 0.237 0.000 2.867 115 T HA -0.179 4.174 4.350 0.005 0.000 0.268 115 T C 1.922 176.734 174.700 0.186 0.000 1.057 115 T CA 1.372 63.602 62.100 0.216 0.000 1.136 115 T CB -0.733 68.258 68.868 0.206 0.000 0.874 115 T HN 0.001 nan 8.240 nan 0.000 0.466 116 L N 1.996 123.271 121.223 0.086 0.000 2.072 116 L HA 0.332 4.675 4.340 0.005 0.000 0.205 116 L C 2.675 179.602 176.870 0.095 0.000 1.079 116 L CA 1.961 56.697 54.840 -0.173 0.000 0.752 116 L CB -1.239 40.495 42.059 -0.542 0.000 0.906 116 L HN 0.359 nan 8.230 nan 0.000 0.436 117 G N -1.049 107.861 108.800 0.183 0.000 2.421 117 G HA2 -0.291 3.672 3.960 0.005 0.000 0.216 117 G HA3 -0.291 3.672 3.960 0.005 0.000 0.216 117 G C 1.420 176.611 174.900 0.485 0.000 1.171 117 G CA 0.914 46.208 45.100 0.323 0.000 0.775 117 G HN 0.380 nan 8.290 nan 0.000 0.543 118 F N 1.851 121.803 119.950 0.003 0.000 2.134 118 F HA 0.082 4.612 4.527 0.005 0.000 0.299 118 F C 3.034 178.998 175.800 0.273 0.000 1.097 118 F CA 0.607 58.602 58.000 -0.008 0.000 1.264 118 F CB -0.679 37.782 39.000 -0.899 0.000 1.001 118 F HN 0.247 nan 8.300 nan 0.000 0.479 119 A N 0.470 123.565 122.820 0.458 0.000 1.865 119 A HA -0.198 4.125 4.320 0.005 0.000 0.217 119 A C 2.326 180.289 177.584 0.632 0.000 1.191 119 A CA 1.956 54.363 52.037 0.615 0.000 0.623 119 A CB -1.176 18.122 19.000 0.497 0.000 0.826 119 A HN 0.362 nan 8.150 nan 0.000 0.444 120 I N -0.479 120.375 120.570 0.473 0.000 2.127 120 I HA -0.319 3.854 4.170 0.005 0.000 0.241 120 I C 2.525 178.830 176.117 0.314 0.000 1.075 120 I CA 1.933 63.462 61.300 0.382 0.000 1.334 120 I CB -0.341 37.930 38.000 0.452 0.000 1.040 120 I HN 0.317 nan 8.210 nan 0.000 0.405 121 K N 0.042 120.656 120.400 0.357 0.000 2.097 121 K HA -0.160 4.163 4.320 0.005 0.000 0.206 121 K C 2.073 178.761 176.600 0.146 0.000 1.049 121 K CA 1.487 57.888 56.287 0.191 0.000 0.933 121 K CB -0.228 32.412 32.500 0.232 0.000 0.717 121 K HN 0.149 nan 8.250 nan 0.000 0.442 122 F N 0.852 120.923 119.950 0.201 0.000 2.206 122 F HA -0.124 4.405 4.527 0.005 0.000 0.298 122 F C 2.121 178.021 175.800 0.166 0.000 1.090 122 F CA 0.569 58.704 58.000 0.225 0.000 1.323 122 F CB -0.369 38.884 39.000 0.421 0.000 1.028 122 F HN -0.052 nan 8.300 nan 0.000 0.492 123 L N 0.433 121.813 121.223 0.262 0.000 2.046 123 L HA -0.123 4.220 4.340 0.005 0.000 0.208 123 L C 2.165 179.005 176.870 -0.049 0.000 1.077 123 L CA 1.780 56.549 54.840 -0.119 0.000 0.747 123 L CB -0.800 41.010 42.059 -0.415 0.000 0.896 123 L HN 0.095 nan 8.230 nan 0.000 0.432 124 V N -2.637 117.271 119.914 -0.010 0.000 3.623 124 V HA 0.438 4.561 4.120 0.005 0.000 0.271 124 V C 1.498 177.566 176.094 -0.043 0.000 1.248 124 V CA 0.381 62.662 62.300 -0.032 0.000 1.156 124 V CB -0.942 30.861 31.823 -0.034 0.000 0.870 124 V HN 0.660 nan 8.190 nan 0.000 0.453 125 G N 1.021 109.794 108.800 -0.046 0.000 2.143 125 G HA2 -0.251 3.712 3.960 0.005 0.000 0.248 125 G HA3 -0.251 3.712 3.960 0.005 0.000 0.248 125 G C 0.061 174.868 174.900 -0.155 0.000 0.991 125 G CA 0.411 45.455 45.100 -0.093 0.000 0.689 125 G HN 0.619 nan 8.290 nan 0.000 0.522 126 L N 1.082 122.207 121.223 -0.162 0.000 2.480 126 L HA 0.458 4.801 4.340 0.005 0.000 0.243 126 L C 0.900 177.620 176.870 -0.250 0.000 1.315 126 L CA -0.530 54.216 54.840 -0.156 0.000 1.231 126 L CB -0.004 41.986 42.059 -0.115 0.000 1.444 126 L HN 0.291 nan 8.230 nan 0.000 0.409 127 V N -1.446 118.219 119.914 -0.416 0.000 3.046 127 V HA 0.719 4.842 4.120 0.005 0.000 0.316 127 V C -2.283 173.479 176.094 -0.554 0.000 1.104 127 V CA -2.075 59.769 62.300 -0.760 0.000 1.006 127 V CB 1.445 32.640 31.823 -1.047 0.000 1.058 127 V HN 0.194 nan 8.190 nan 0.000 0.440 128 P HA 0.343 nan 4.420 nan 0.000 0.269 128 P C -0.379 176.678 177.300 -0.405 0.000 1.209 128 P CA 0.492 63.259 63.100 -0.554 0.000 0.776 128 P CB 0.590 31.800 31.700 -0.816 0.000 0.876 129 E N 3.086 123.147 120.200 -0.231 0.000 2.028 129 E HA 0.422 4.775 4.350 0.005 0.000 0.266 129 E C -2.399 174.158 176.600 -0.072 0.000 0.962 129 E CA -1.861 54.470 56.400 -0.115 0.000 0.784 129 E CB -0.480 29.174 29.700 -0.077 0.000 1.114 129 E HN 0.398 nan 8.360 nan 0.000 0.414 130 P HA 0.267 nan 4.420 nan 0.000 0.272 130 P C -2.413 174.921 177.300 0.057 0.000 1.254 130 P CA -0.905 62.236 63.100 0.067 0.000 0.795 130 P CB 0.478 32.314 31.700 0.227 0.000 1.022 131 P HA 0.467 nan 4.420 nan 0.000 0.296 131 P C -2.665 174.669 177.300 0.057 0.000 1.301 131 P CA -1.316 61.813 63.100 0.048 0.000 0.862 131 P CB 0.863 32.585 31.700 0.037 0.000 1.046 136 D N 3.439 123.888 120.400 0.082 0.000 2.352 136 D HA 0.333 4.976 4.640 0.005 0.000 0.245 136 D C -0.280 176.090 176.300 0.117 0.000 1.224 136 D CA -2.048 52.003 54.000 0.084 0.000 0.879 136 D CB 1.699 42.533 40.800 0.057 0.000 1.057 136 D HN 0.119 nan 8.370 nan 0.000 0.491 137 P HA -0.268 nan 4.420 nan 0.000 0.222 137 P C 0.662 178.028 177.300 0.109 0.000 1.155 137 P CA 1.345 64.576 63.100 0.218 0.000 0.890 137 P CB 0.411 32.230 31.700 0.198 0.000 0.790 138 D N -0.866 119.567 120.400 0.055 0.000 2.149 138 D HA -0.092 4.551 4.640 0.005 0.000 0.201 138 D C 2.239 178.572 176.300 0.055 0.000 0.972 138 D CA 1.422 55.439 54.000 0.029 0.000 0.835 138 D CB -0.548 40.257 40.800 0.008 0.000 0.966 138 D HN 0.157 nan 8.370 nan 0.000 0.476 139 S N -0.734 115.006 115.700 0.066 0.000 2.447 139 S HA -0.040 4.433 4.470 0.005 0.000 0.233 139 S C 1.864 176.526 174.600 0.104 0.000 1.006 139 S CA 0.531 58.771 58.200 0.068 0.000 0.957 139 S CB -0.212 63.023 63.200 0.059 0.000 0.773 139 S HN 0.254 nan 8.310 nan 0.000 0.507 140 I N 0.127 120.783 120.570 0.143 0.000 2.731 140 I HA 0.075 4.248 4.170 0.005 0.000 0.260 140 I C 2.026 178.306 176.117 0.272 0.000 1.138 140 I CA 0.606 62.030 61.300 0.207 0.000 1.461 140 I CB -0.028 38.107 38.000 0.225 0.000 1.128 140 I HN 0.304 nan 8.210 nan 0.000 0.438 141 L N 0.058 121.401 121.223 0.200 0.000 2.162 141 L HA -0.052 4.291 4.340 0.005 0.000 0.205 141 L C 2.644 179.624 176.870 0.182 0.000 1.086 141 L CA 0.638 55.594 54.840 0.193 0.000 0.778 141 L CB -0.460 41.633 42.059 0.056 0.000 0.928 141 L HN 0.155 nan 8.230 nan 0.000 0.446 142 R N 0.652 121.209 120.500 0.096 0.000 2.096 142 R HA -0.198 4.145 4.340 0.005 0.000 0.240 142 R C -0.441 175.878 176.300 0.032 0.000 1.139 142 R CA 1.996 58.116 56.100 0.033 0.000 0.952 142 R CB -1.099 29.207 30.300 0.009 0.000 0.854 142 R HN 0.214 nan 8.270 nan 0.000 0.436 143 P HA -0.140 nan 4.420 nan 0.000 0.216 143 P C 0.660 177.884 177.300 -0.127 0.000 1.150 143 P CA 1.423 64.470 63.100 -0.089 0.000 0.837 143 P CB -0.067 31.523 31.700 -0.183 0.000 0.786 144 F N -0.243 119.759 119.950 0.086 0.000 2.259 144 F HA -0.016 4.515 4.527 0.006 0.000 0.298 144 F C 2.374 178.299 175.800 0.209 0.000 1.088 144 F CA 1.172 59.277 58.000 0.174 0.000 1.358 144 F CB -0.540 38.567 39.000 0.179 0.000 1.040 144 F HN -0.183 nan 8.300 nan 0.000 0.505 145 K N 0.751 121.274 120.400 0.205 0.000 2.057 145 K HA -0.184 4.139 4.320 0.005 0.000 0.206 145 K C 1.854 178.364 176.600 -0.151 0.000 1.050 145 K CA 1.639 57.899 56.287 -0.045 0.000 0.935 145 K CB -0.121 32.231 32.500 -0.246 0.000 0.715 145 K HN 0.239 nan 8.250 nan 0.000 0.439 146 E N -0.345 119.815 120.200 -0.067 0.000 2.110 146 E HA -0.202 4.151 4.350 0.005 0.000 0.193 146 E C 1.758 178.427 176.600 0.114 0.000 0.988 146 E CA 1.177 57.573 56.400 -0.007 0.000 0.804 146 E CB -0.157 29.540 29.700 -0.004 0.000 0.745 146 E HN 0.291 nan 8.360 nan 0.000 0.458 147 F N 1.161 121.109 119.950 -0.002 0.000 2.102 147 F HA -0.201 4.329 4.527 0.005 0.000 0.298 147 F C 2.077 177.950 175.800 0.123 0.000 1.105 147 F CA 1.104 59.104 58.000 -0.001 0.000 1.239 147 F CB -0.199 38.762 39.000 -0.065 0.000 0.991 147 F HN 0.014 nan 8.300 nan 0.000 0.474 148 L N -0.458 121.002 121.223 0.395 0.000 2.027 148 L HA -0.212 4.131 4.340 0.005 0.000 0.206 148 L C 2.131 179.138 176.870 0.229 0.000 1.074 148 L CA 1.867 56.936 54.840 0.383 0.000 0.745 148 L CB -1.446 40.895 42.059 0.471 0.000 0.898 148 L HN 0.156 nan 8.230 nan 0.000 0.433 149 Y N -0.036 120.261 120.300 -0.005 0.000 2.207 149 Y HA -0.180 4.372 4.550 0.005 0.000 0.287 149 Y C 2.848 178.692 175.900 -0.093 0.000 1.156 149 Y CA 1.295 59.359 58.100 -0.059 0.000 1.182 149 Y CB -1.187 37.264 38.460 -0.014 0.000 0.979 149 Y HN 0.263 nan 8.280 nan 0.000 0.521 150 S N -1.447 114.293 115.700 0.066 0.000 2.436 150 S HA -0.149 4.324 4.470 0.005 0.000 0.228 150 S C 1.771 176.306 174.600 -0.109 0.000 1.014 150 S CA 0.595 58.771 58.200 -0.039 0.000 0.950 150 S CB -0.468 62.693 63.200 -0.065 0.000 0.784 150 S HN 0.549 nan 8.310 nan 0.000 0.504 151 Y N 2.794 122.932 120.300 -0.270 0.000 2.153 151 Y HA -0.008 4.545 4.550 0.005 0.000 0.289 151 Y C 1.943 177.654 175.900 -0.316 0.000 1.127 151 Y CA 1.600 59.520 58.100 -0.300 0.000 1.131 151 Y CB -0.154 38.106 38.460 -0.334 0.000 0.995 151 Y HN 0.298 nan 8.280 nan 0.000 0.505 152 I N -2.803 117.612 120.570 -0.257 0.000 3.419 152 I HA 0.347 4.520 4.170 0.005 0.000 0.286 152 I C 1.299 177.247 176.117 -0.282 0.000 1.268 152 I CA 0.783 61.841 61.300 -0.403 0.000 1.414 152 I CB -0.460 37.115 38.000 -0.707 0.000 1.074 152 I HN 0.297 nan 8.210 nan 0.000 0.457 153 G N 2.481 111.148 108.800 -0.221 0.000 2.291 153 G HA2 -0.183 3.780 3.960 0.005 0.000 0.271 153 G HA3 -0.183 3.780 3.960 0.005 0.000 0.271 153 G C -0.005 174.792 174.900 -0.172 0.000 1.099 153 G CA 0.081 45.082 45.100 -0.165 0.000 0.919 153 G HN 0.269 nan 8.290 nan 0.000 0.496 154 V N 0.805 120.580 119.914 -0.231 0.000 2.788 154 V HA 0.188 4.311 4.120 0.005 0.000 0.307 154 V C -0.918 175.083 176.094 -0.155 0.000 1.069 154 V CA -0.422 61.701 62.300 -0.294 0.000 1.173 154 V CB 0.702 32.138 31.823 -0.645 0.000 0.925 154 V HN 0.370 nan 8.190 nan 0.000 0.492 155 P HA 0.123 nan 4.420 nan 0.000 0.263 155 P C 0.180 177.458 177.300 -0.037 0.000 1.195 155 P CA 0.149 63.204 63.100 -0.075 0.000 0.762 155 P CB 0.364 32.012 31.700 -0.086 0.000 0.799 156 K N 1.507 121.900 120.400 -0.013 0.000 2.334 156 K HA 0.153 4.476 4.320 0.005 0.000 0.195 156 K C 1.352 177.956 176.600 0.007 0.000 1.045 156 K CA 0.308 56.602 56.287 0.011 0.000 1.004 156 K CB 0.355 32.865 32.500 0.017 0.000 0.837 156 K HN 0.551 nan 8.250 nan 0.000 0.510 157 G N 0.183 108.981 108.800 -0.002 0.000 3.019 157 G HA2 0.001 3.964 3.960 0.005 0.000 0.152 157 G HA3 0.001 3.964 3.960 0.005 0.000 0.152 157 G C -0.080 174.817 174.900 -0.005 0.000 1.320 157 G CA -0.209 44.892 45.100 0.002 0.000 1.013 157 G HN -0.089 nan 8.290 nan 0.000 0.593 158 D N -0.281 120.120 120.400 0.002 0.000 2.324 158 D HA 0.058 4.701 4.640 0.005 0.000 0.212 158 D C 0.422 176.712 176.300 -0.017 0.000 0.984 158 D CA 0.178 54.179 54.000 0.001 0.000 0.885 158 D CB 0.361 41.179 40.800 0.030 0.000 0.996 158 D HN 0.407 nan 8.370 nan 0.000 0.505 159 E N 2.171 122.369 120.200 -0.002 0.000 2.414 159 E HA 0.002 4.355 4.350 0.005 0.000 0.263 159 E C -1.904 174.653 176.600 -0.072 0.000 1.000 159 E CA -1.029 55.368 56.400 -0.006 0.000 0.914 159 E CB 0.783 30.495 29.700 0.020 0.000 0.948 159 E HN 0.163 nan 8.360 nan 0.000 0.444 160 P HA 0.102 nan 4.420 nan 0.000 0.246 160 P C -0.645 176.581 177.300 -0.123 0.000 1.686 160 P CA 0.279 63.254 63.100 -0.209 0.000 0.867 160 P CB -0.023 31.443 31.700 -0.390 0.000 1.733 161 I N 0.936 121.466 120.570 -0.067 0.000 2.412 161 I HA 0.331 4.504 4.170 0.005 0.000 0.296 161 I C 0.712 176.815 176.117 -0.023 0.000 0.987 161 I CA -1.313 59.976 61.300 -0.019 0.000 1.180 161 I CB 1.805 39.815 38.000 0.016 0.000 1.340 161 I HN -0.067 nan 8.210 nan 0.000 0.455 162 L N 5.342 126.560 121.223 -0.008 0.000 2.334 162 L HA 0.496 4.839 4.340 0.005 0.000 0.275 162 L C 0.330 177.187 176.870 -0.023 0.000 1.036 162 L CA -0.615 54.184 54.840 -0.067 0.000 0.807 162 L CB 1.278 43.255 42.059 -0.138 0.000 1.231 162 L HN 0.488 nan 8.230 nan 0.000 0.438 163 K N 3.185 123.542 120.400 -0.072 0.000 2.687 163 K HA 0.368 4.691 4.320 0.005 0.000 0.197 163 K C -2.549 173.976 176.600 -0.126 0.000 1.049 163 K CA -1.640 54.629 56.287 -0.029 0.000 1.030 163 K CB 1.128 33.632 32.500 0.006 0.000 1.261 163 K HN 0.189 nan 8.250 nan 0.000 0.565 164 P HA -0.075 nan 4.420 nan 0.000 0.266 164 P C -0.260 176.933 177.300 -0.179 0.000 1.195 164 P CA 0.014 62.962 63.100 -0.253 0.000 0.768 164 P CB 0.794 32.312 31.700 -0.304 0.000 0.838 165 S N 2.542 118.102 115.700 -0.234 0.000 2.589 165 S HA 0.020 4.492 4.470 0.005 0.000 0.265 165 S C 1.124 175.678 174.600 -0.077 0.000 1.342 165 S CA -0.488 57.620 58.200 -0.153 0.000 1.005 165 S CB 0.064 63.152 63.200 -0.187 0.000 0.909 165 S HN 0.380 nan 8.310 nan 0.000 0.555 166 L N 1.127 122.354 121.223 0.006 0.000 2.083 166 L HA 0.063 4.406 4.340 0.005 0.000 0.209 166 L C 1.989 178.947 176.870 0.147 0.000 1.083 166 L CA 1.742 56.632 54.840 0.083 0.000 0.752 166 L CB -1.297 40.811 42.059 0.081 0.000 0.899 166 L HN 0.828 nan 8.230 nan 0.000 0.433 167 F N 0.612 120.536 119.950 -0.043 0.000 2.095 167 F HA -0.182 4.348 4.527 0.005 0.000 0.298 167 F C 2.333 178.106 175.800 -0.046 0.000 1.104 167 F CA 1.512 59.500 58.000 -0.019 0.000 1.232 167 F CB -0.932 38.051 39.000 -0.028 0.000 0.987 167 F HN 0.162 nan 8.300 nan 0.000 0.475 168 A N -0.625 121.949 122.820 -0.409 0.000 1.908 168 A HA -0.284 4.039 4.320 0.005 0.000 0.218 168 A C 2.195 179.724 177.584 -0.092 0.000 1.181 168 A CA 1.862 53.535 52.037 -0.606 0.000 0.627 168 A CB -1.751 16.638 19.000 -1.019 0.000 0.818 168 A HN 0.604 nan 8.150 nan 0.000 0.445 169 Y N 0.313 120.556 120.300 -0.095 0.000 2.145 169 Y HA -0.164 4.389 4.550 0.005 0.000 0.286 169 Y C 2.073 178.062 175.900 0.149 0.000 1.145 169 Y CA 1.821 59.961 58.100 0.067 0.000 1.148 169 Y CB -0.224 38.274 38.460 0.063 0.000 0.981 169 Y HN 0.273 nan 8.280 nan 0.000 0.507 170 I N -1.240 119.424 120.570 0.157 0.000 2.286 170 I HA -0.292 3.880 4.170 0.005 0.000 0.248 170 I C 2.142 178.241 176.117 -0.029 0.000 1.115 170 I CA 1.102 62.448 61.300 0.076 0.000 1.392 170 I CB -0.472 37.594 38.000 0.111 0.000 1.065 170 I HN 0.062 nan 8.210 nan 0.000 0.418 171 V N 0.526 120.362 119.914 -0.130 0.000 2.515 171 V HA -0.277 3.845 4.120 0.005 0.000 0.250 171 V C 2.228 178.360 176.094 0.063 0.000 1.058 171 V CA 1.640 63.867 62.300 -0.122 0.000 1.064 171 V CB -0.672 30.976 31.823 -0.291 0.000 0.675 171 V HN 0.381 nan 8.190 nan 0.000 0.461 172 F N 0.400 120.341 119.950 -0.016 0.000 2.146 172 F HA -0.125 4.405 4.527 0.005 0.000 0.298 172 F C 1.976 177.804 175.800 0.047 0.000 1.096 172 F CA 1.452 59.491 58.000 0.066 0.000 1.275 172 F CB -0.321 38.717 39.000 0.063 0.000 1.008 172 F HN 0.040 nan 8.300 nan 0.000 0.480 173 L N -0.137 121.009 121.223 -0.127 0.000 2.012 173 L HA -0.256 4.087 4.340 0.005 0.000 0.210 173 L C 2.510 179.292 176.870 -0.148 0.000 1.073 173 L CA 1.550 56.257 54.840 -0.222 0.000 0.748 173 L CB -0.634 41.339 42.059 -0.142 0.000 0.891 173 L HN 0.157 nan 8.230 nan 0.000 0.431 174 I N -0.907 119.630 120.570 -0.056 0.000 2.226 174 I HA -0.276 3.896 4.170 0.005 0.000 0.245 174 I C 2.464 178.639 176.117 0.097 0.000 1.100 174 I CA 1.464 62.784 61.300 0.033 0.000 1.374 174 I CB -0.526 37.491 38.000 0.028 0.000 1.057 174 I HN 0.258 nan 8.210 nan 0.000 0.413 175 T N 0.818 115.398 114.554 0.043 0.000 2.720 175 T HA -0.173 4.180 4.350 0.005 0.000 0.268 175 T C 1.958 176.657 174.700 -0.001 0.000 1.037 175 T CA 1.272 63.436 62.100 0.107 0.000 1.144 175 T CB -0.119 68.847 68.868 0.162 0.000 0.864 175 T HN 0.155 nan 8.240 nan 0.000 0.444 176 M N 0.409 119.901 119.600 -0.179 0.000 2.117 176 M HA 0.035 4.518 4.480 0.005 0.000 0.262 176 M C 2.104 178.350 176.300 -0.090 0.000 1.065 176 M CA 1.240 56.420 55.300 -0.200 0.000 1.114 176 M CB -1.262 31.129 32.600 -0.348 0.000 1.361 176 M HN 0.286 nan 8.290 nan 0.000 0.408 177 F N 1.232 121.081 119.950 -0.168 0.000 2.134 177 F HA -0.183 4.347 4.527 0.005 0.000 0.299 177 F C 2.121 177.872 175.800 -0.082 0.000 1.097 177 F CA 1.481 59.408 58.000 -0.122 0.000 1.264 177 F CB -0.355 38.584 39.000 -0.103 0.000 1.001 177 F HN 0.012 nan 8.300 nan 0.000 0.479 178 I N 0.413 120.943 120.570 -0.067 0.000 2.226 178 I HA -0.341 3.832 4.170 0.005 0.000 0.245 178 I C 2.300 178.254 176.117 -0.270 0.000 1.100 178 I CA 1.421 62.631 61.300 -0.150 0.000 1.374 178 I CB -0.706 37.365 38.000 0.118 0.000 1.057 178 I HN 0.239 nan 8.210 nan 0.000 0.413 179 N N 0.570 119.154 118.700 -0.194 0.000 2.104 179 N HA -0.152 4.591 4.740 0.005 0.000 0.190 179 N C 1.971 177.335 175.510 -0.243 0.000 1.024 179 N CA 1.389 54.311 53.050 -0.214 0.000 0.853 179 N CB -0.102 38.309 38.487 -0.126 0.000 1.008 179 N HN 0.159 nan 8.380 nan 0.000 0.424 180 V N 1.267 121.028 119.914 -0.255 0.000 2.343 180 V HA -0.179 3.943 4.120 0.005 0.000 0.247 180 V C 2.206 178.103 176.094 -0.329 0.000 1.051 180 V CA 1.439 63.586 62.300 -0.256 0.000 1.036 180 V CB -0.514 31.167 31.823 -0.237 0.000 0.654 180 V HN 0.270 nan 8.190 nan 0.000 0.451 181 S N -0.270 115.134 115.700 -0.493 0.000 2.419 181 S HA -0.097 4.376 4.470 0.005 0.000 0.235 181 S C 1.769 176.185 174.600 -0.307 0.000 1.019 181 S CA 1.530 59.454 58.200 -0.460 0.000 0.982 181 S CB -0.258 62.589 63.200 -0.588 0.000 0.789 181 S HN 0.538 nan 8.310 nan 0.000 0.490 182 I N 0.635 121.012 120.570 -0.321 0.000 2.385 182 I HA -0.042 4.131 4.170 0.005 0.000 0.244 182 I C 1.947 177.937 176.117 -0.211 0.000 1.089 182 I CA 0.756 61.884 61.300 -0.287 0.000 1.410 182 I CB -0.273 37.471 38.000 -0.428 0.000 1.117 182 I HN 0.186 nan 8.210 nan 0.000 0.429 183 L N 0.442 121.545 121.223 -0.199 0.000 2.083 183 L HA -0.212 4.131 4.340 0.005 0.000 0.209 183 L C 2.514 179.295 176.870 -0.148 0.000 1.083 183 L CA 1.366 56.114 54.840 -0.154 0.000 0.752 183 L CB -0.356 41.633 42.059 -0.117 0.000 0.899 183 L HN 0.255 nan 8.230 nan 0.000 0.433 184 I N -0.454 120.025 120.570 -0.152 0.000 2.756 184 I HA -0.221 3.952 4.170 0.005 0.000 0.262 184 I C 2.334 178.371 176.117 -0.132 0.000 1.225 184 I CA 1.074 62.295 61.300 -0.132 0.000 1.472 184 I CB -0.076 37.844 38.000 -0.133 0.000 1.094 184 I HN 0.146 nan 8.210 nan 0.000 0.454 185 R N 0.592 121.006 120.500 -0.142 0.000 2.310 185 R HA 0.249 4.592 4.340 0.005 0.000 0.202 185 R C 0.983 177.188 176.300 -0.159 0.000 0.933 185 R CA 0.513 56.535 56.100 -0.130 0.000 1.054 185 R CB 0.108 30.341 30.300 -0.110 0.000 0.985 185 R HN 0.488 nan 8.270 nan 0.000 0.489 186 G N 0.995 109.680 108.800 -0.192 0.000 2.660 186 G HA2 -0.247 3.716 3.960 0.005 0.000 0.215 186 G HA3 -0.247 3.716 3.960 0.005 0.000 0.215 186 G C 0.460 175.149 174.900 -0.352 0.000 1.345 186 G CA -0.492 44.446 45.100 -0.271 0.000 0.877 186 G HN -0.041 nan 8.290 nan 0.000 0.549 187 I N 1.223 121.468 120.570 -0.541 0.000 2.130 187 I HA -0.092 4.080 4.170 0.005 0.000 0.234 187 I C 3.271 179.095 176.117 -0.488 0.000 1.067 187 I CA 2.909 63.749 61.300 -0.766 0.000 1.339 187 I CB -1.835 35.368 38.000 -1.329 0.000 1.073 187 I HN 0.919 nan 8.210 nan 0.000 0.405 188 S N 1.062 116.534 115.700 -0.380 0.000 2.371 188 S HA -0.119 4.354 4.470 0.005 0.000 0.224 188 S C 1.818 176.370 174.600 -0.081 0.000 1.029 188 S CA 0.807 58.912 58.200 -0.158 0.000 0.978 188 S CB -0.419 62.709 63.200 -0.120 0.000 0.833 188 S HN 0.408 nan 8.310 nan 0.000 0.466 189 K N 0.941 121.276 120.400 -0.109 0.000 2.426 189 K HA 0.237 4.560 4.320 0.005 0.000 0.193 189 K C 1.741 178.307 176.600 -0.058 0.000 1.028 189 K CA 0.518 56.766 56.287 -0.066 0.000 1.047 189 K CB 0.150 32.607 32.500 -0.072 0.000 0.821 189 K HN 0.528 nan 8.250 nan 0.000 0.513 190 G N 0.959 109.705 108.800 -0.091 0.000 2.613 190 G HA2 0.029 3.992 3.960 0.005 0.000 0.218 190 G HA3 0.029 3.992 3.960 0.005 0.000 0.218 190 G C 1.289 176.177 174.900 -0.019 0.000 1.508 190 G CA -0.281 44.772 45.100 -0.080 0.000 0.788 190 G HN -0.034 nan 8.290 nan 0.000 0.603 191 I N 0.925 121.464 120.570 -0.053 0.000 2.179 191 I HA -0.136 4.037 4.170 0.005 0.000 0.242 191 I C 2.680 178.894 176.117 0.163 0.000 1.088 191 I CA 1.691 63.022 61.300 0.051 0.000 1.357 191 I CB -0.182 37.806 38.000 -0.019 0.000 1.051 191 I HN 0.354 nan 8.210 nan 0.000 0.409 192 E N 1.258 121.569 120.200 0.185 0.000 2.031 192 E HA -0.280 4.073 4.350 0.005 0.000 0.193 192 E C 2.426 179.094 176.600 0.113 0.000 0.994 192 E CA 1.210 57.745 56.400 0.226 0.000 0.800 192 E CB -0.047 29.833 29.700 0.299 0.000 0.752 192 E HN 0.250 nan 8.360 nan 0.000 0.447 193 R N -0.435 120.117 120.500 0.086 0.000 2.083 193 R HA -0.199 4.144 4.340 0.005 0.000 0.237 193 R C 2.324 178.668 176.300 0.073 0.000 1.137 193 R CA 1.780 57.919 56.100 0.065 0.000 0.951 193 R CB -0.474 29.859 30.300 0.055 0.000 0.851 193 R HN 0.255 nan 8.270 nan 0.000 0.434 194 F N 0.984 120.909 119.950 -0.042 0.000 2.134 194 F HA -0.067 4.463 4.527 0.005 0.000 0.299 194 F C 2.119 177.863 175.800 -0.093 0.000 1.097 194 F CA 1.347 59.297 58.000 -0.083 0.000 1.264 194 F CB -0.511 38.414 39.000 -0.126 0.000 1.001 194 F HN 0.125 nan 8.300 nan 0.000 0.479 195 A N 0.229 122.999 122.820 -0.083 0.000 1.940 195 A HA -0.219 4.104 4.320 0.005 0.000 0.219 195 A C 2.223 179.699 177.584 -0.181 0.000 1.176 195 A CA 1.756 53.699 52.037 -0.157 0.000 0.631 195 A CB -0.703 18.290 19.000 -0.013 0.000 0.814 195 A HN 0.455 nan 8.150 nan 0.000 0.446 196 K N -0.818 119.515 120.400 -0.111 0.000 2.362 196 K HA 0.037 4.360 4.320 0.005 0.000 0.200 196 K C 1.395 177.935 176.600 -0.101 0.000 1.046 196 K CA 1.083 57.324 56.287 -0.076 0.000 0.952 196 K CB -0.178 32.306 32.500 -0.027 0.000 0.753 196 K HN 0.600 nan 8.250 nan 0.000 0.466 197 I N -0.427 120.023 120.570 -0.201 0.000 2.810 197 I HA -0.045 4.128 4.170 0.005 0.000 0.262 197 I C 2.296 178.278 176.117 -0.224 0.000 1.131 197 I CA 0.319 61.514 61.300 -0.176 0.000 1.453 197 I CB -0.063 37.828 38.000 -0.182 0.000 1.161 197 I HN -0.007 nan 8.210 nan 0.000 0.444 198 A N 1.189 123.658 122.820 -0.586 0.000 1.898 198 A HA -0.142 4.181 4.320 0.005 0.000 0.216 198 A C 2.305 179.813 177.584 -0.126 0.000 1.181 198 A CA 1.292 52.988 52.037 -0.569 0.000 0.620 198 A CB -0.350 17.877 19.000 -1.288 0.000 0.819 198 A HN 0.207 nan 8.150 nan 0.000 0.442 199 M N -0.542 118.982 119.600 -0.126 0.000 2.086 199 M HA -0.060 4.422 4.480 0.005 0.000 0.261 199 M C -0.346 176.008 176.300 0.090 0.000 1.067 199 M CA 1.450 56.750 55.300 0.001 0.000 1.116 199 M CB -2.584 30.001 32.600 -0.025 0.000 1.348 199 M HN 0.127 nan 8.290 nan 0.000 0.407 200 P HA -0.083 nan 4.420 nan 0.000 0.215 200 P C 1.576 178.989 177.300 0.189 0.000 1.153 200 P CA 1.504 64.688 63.100 0.139 0.000 0.853 200 P CB -0.228 31.523 31.700 0.085 0.000 0.788 201 T N 0.002 114.654 114.554 0.164 0.000 2.708 201 T HA -0.158 4.195 4.350 0.005 0.000 0.266 201 T C 1.742 176.536 174.700 0.158 0.000 1.037 201 T CA 1.005 63.211 62.100 0.178 0.000 1.146 201 T CB -1.029 68.007 68.868 0.280 0.000 0.865 201 T HN 0.051 nan 8.240 nan 0.000 0.435 202 L N 0.080 121.419 121.223 0.193 0.000 1.989 202 L HA -0.106 4.237 4.340 0.005 0.000 0.211 202 L C 2.290 179.258 176.870 0.163 0.000 1.071 202 L CA 1.718 56.647 54.840 0.148 0.000 0.749 202 L CB -0.394 41.767 42.059 0.171 0.000 0.890 202 L HN 0.230 nan 8.230 nan 0.000 0.431 203 F N 0.649 120.644 119.950 0.076 0.000 2.095 203 F HA -0.269 4.261 4.527 0.005 0.000 0.298 203 F C 2.127 177.969 175.800 0.071 0.000 1.104 203 F CA 1.912 59.959 58.000 0.080 0.000 1.232 203 F CB -0.364 38.673 39.000 0.062 0.000 0.987 203 F HN 0.023 nan 8.300 nan 0.000 0.475 204 I N -0.034 120.491 120.570 -0.075 0.000 2.179 204 I HA -0.338 3.835 4.170 0.005 0.000 0.242 204 I C 2.463 178.510 176.117 -0.118 0.000 1.088 204 I CA 1.405 62.600 61.300 -0.176 0.000 1.357 204 I CB -0.634 37.357 38.000 -0.014 0.000 1.051 204 I HN 0.193 nan 8.210 nan 0.000 0.409 205 L N 0.469 121.664 121.223 -0.047 0.000 2.042 205 L HA -0.228 4.115 4.340 0.005 0.000 0.210 205 L C 2.855 179.716 176.870 -0.013 0.000 1.076 205 L CA 1.447 56.275 54.840 -0.019 0.000 0.749 205 L CB -0.727 41.306 42.059 -0.044 0.000 0.893 205 L HN 0.261 nan 8.230 nan 0.000 0.432 206 A N -0.440 122.339 122.820 -0.068 0.000 1.877 206 A HA -0.145 4.178 4.320 0.005 0.000 0.216 206 A C 2.324 179.859 177.584 -0.083 0.000 1.186 206 A CA 1.753 53.764 52.037 -0.042 0.000 0.620 206 A CB -0.824 18.225 19.000 0.081 0.000 0.822 206 A HN 0.188 nan 8.150 nan 0.000 0.443 207 V N -1.151 118.630 119.914 -0.221 0.000 2.343 207 V HA -0.242 3.881 4.120 0.005 0.000 0.247 207 V C 2.284 178.281 176.094 -0.162 0.000 1.051 207 V CA 2.140 64.282 62.300 -0.264 0.000 1.036 207 V CB -0.971 30.573 31.823 -0.466 0.000 0.654 207 V HN 0.624 nan 8.190 nan 0.000 0.451 208 F N 0.389 120.211 119.950 -0.214 0.000 2.095 208 F HA -0.199 4.332 4.527 0.006 0.000 0.298 208 F C 2.052 177.757 175.800 -0.157 0.000 1.104 208 F CA 1.683 59.588 58.000 -0.159 0.000 1.232 208 F CB -0.315 38.611 39.000 -0.123 0.000 0.987 208 F HN 0.026 nan 8.300 nan 0.000 0.475 209 L N -0.862 120.256 121.223 -0.175 0.000 2.083 209 L HA -0.219 4.124 4.340 0.005 0.000 0.209 209 L C 2.377 179.076 176.870 -0.285 0.000 1.083 209 L CA 0.935 55.630 54.840 -0.241 0.000 0.752 209 L CB -0.764 41.270 42.059 -0.042 0.000 0.899 209 L HN 0.016 nan 8.230 nan 0.000 0.433 210 V N 0.246 119.987 119.914 -0.288 0.000 2.295 210 V HA -0.308 3.815 4.120 0.005 0.000 0.246 210 V C 2.313 178.013 176.094 -0.657 0.000 1.049 210 V CA 1.905 63.928 62.300 -0.463 0.000 1.024 210 V CB -0.324 31.193 31.823 -0.511 0.000 0.648 210 V HN 0.316 nan 8.190 nan 0.000 0.447 211 I N -0.704 119.551 120.570 -0.524 0.000 2.163 211 I HA -0.226 3.947 4.170 0.005 0.000 0.243 211 I C 2.793 178.732 176.117 -0.295 0.000 1.085 211 I CA 1.377 62.444 61.300 -0.389 0.000 1.347 211 I CB -0.482 37.338 38.000 -0.300 0.000 1.044 211 I HN 0.205 nan 8.210 nan 0.000 0.408 212 R N 0.436 120.668 120.500 -0.447 0.000 2.096 212 R HA -0.079 4.264 4.340 0.005 0.000 0.235 212 R C 2.296 178.511 176.300 -0.142 0.000 1.127 212 R CA 1.057 56.939 56.100 -0.364 0.000 0.968 212 R CB -0.904 29.047 30.300 -0.582 0.000 0.861 212 R HN 0.278 nan 8.270 nan 0.000 0.440 213 V N 0.685 120.543 119.914 -0.094 0.000 2.427 213 V HA -0.186 3.937 4.120 0.005 0.000 0.248 213 V C 2.028 178.260 176.094 0.230 0.000 1.051 213 V CA 1.263 63.610 62.300 0.078 0.000 1.048 213 V CB -0.593 31.272 31.823 0.070 0.000 0.666 213 V HN 0.062 nan 8.190 nan 0.000 0.456 214 F N -0.174 119.753 119.950 -0.038 0.000 2.408 214 F HA -0.031 4.501 4.527 0.008 0.000 0.300 214 F C 1.873 177.660 175.800 -0.021 0.000 1.090 214 F CA 0.742 58.730 58.000 -0.021 0.000 1.427 214 F CB -0.736 38.248 39.000 -0.027 0.000 1.070 214 F HN 0.147 nan 8.300 nan 0.000 0.549 215 L N -0.716 120.597 121.223 0.150 0.000 2.591 215 L HA 0.055 4.398 4.340 0.005 0.000 0.228 215 L C 0.532 177.441 176.870 0.064 0.000 1.133 215 L CA -0.010 54.873 54.840 0.072 0.000 0.880 215 L CB -0.215 41.859 42.059 0.026 0.000 1.033 215 L HN -0.136 nan 8.230 nan 0.000 0.450 216 L N 1.286 122.570 121.223 0.102 0.000 2.418 216 L HA 0.147 4.490 4.340 0.005 0.000 0.274 216 L C 0.180 177.078 176.870 0.047 0.000 1.135 216 L CA 0.487 55.406 54.840 0.132 0.000 0.870 216 L CB 0.510 42.716 42.059 0.244 0.000 1.154 216 L HN 0.151 nan 8.230 nan 0.000 0.462 217 E N 2.720 122.902 120.200 -0.030 0.000 2.314 217 E HA 0.604 4.957 4.350 0.005 0.000 0.272 217 E C -1.153 175.299 176.600 -0.247 0.000 0.884 217 E CA -0.530 55.802 56.400 -0.113 0.000 0.753 217 E CB 2.365 32.016 29.700 -0.082 0.000 1.213 217 E HN 0.614 nan 8.360 nan 0.000 0.432 218 T N -0.005 114.366 114.554 -0.305 0.000 2.787 218 T HA 0.423 4.775 4.350 0.005 0.000 0.297 218 T C -2.396 172.153 174.700 -0.252 0.000 1.221 218 T CA -1.458 60.402 62.100 -0.400 0.000 1.006 218 T CB 1.311 69.731 68.868 -0.747 0.000 1.328 218 T HN 0.185 nan 8.240 nan 0.000 0.509 219 P HA 0.086 nan 4.420 nan 0.000 0.228 219 P C 0.915 178.140 177.300 -0.124 0.000 1.151 219 P CA 0.596 63.612 63.100 -0.139 0.000 0.770 219 P CB 0.018 31.648 31.700 -0.116 0.000 0.786 220 N N -1.073 117.529 118.700 -0.163 0.000 2.373 220 N HA 0.146 4.889 4.740 0.005 0.000 0.181 220 N C 1.088 176.537 175.510 -0.101 0.000 1.082 220 N CA 0.908 53.887 53.050 -0.117 0.000 0.885 220 N CB 0.724 39.139 38.487 -0.119 0.000 0.977 220 N HN 0.147 nan 8.380 nan 0.000 0.462 221 G N -0.476 108.250 108.800 -0.122 0.000 2.356 221 G HA2 0.162 4.125 3.960 0.005 0.000 0.288 221 G HA3 0.162 4.125 3.960 0.005 0.000 0.288 221 G C -1.190 173.655 174.900 -0.091 0.000 1.302 221 G CA -0.290 44.758 45.100 -0.087 0.000 0.887 221 G HN 0.155 nan 8.290 nan 0.000 0.521 222 T N -2.929 111.589 114.554 -0.059 0.000 2.907 222 T HA 0.761 5.114 4.350 0.005 0.000 0.290 222 T C 1.558 176.242 174.700 -0.027 0.000 1.066 222 T CA 0.605 62.676 62.100 -0.048 0.000 1.012 222 T CB 1.545 70.378 68.868 -0.058 0.000 1.184 222 T HN 2.081 nan 8.240 nan 0.000 0.522 223 A N 0.516 123.325 122.820 -0.018 0.000 1.978 223 A HA 0.221 4.544 4.320 0.005 0.000 0.220 223 A C 2.545 180.085 177.584 -0.073 0.000 1.170 223 A CA 2.006 54.039 52.037 -0.006 0.000 0.636 223 A CB -1.548 17.476 19.000 0.039 0.000 0.810 223 A HN 1.344 nan 8.150 nan 0.000 0.448 224 A N 0.354 123.096 122.820 -0.130 0.000 1.908 224 A HA -0.232 4.091 4.320 0.005 0.000 0.218 224 A C 1.719 179.284 177.584 -0.031 0.000 1.181 224 A CA 1.851 53.812 52.037 -0.126 0.000 0.627 224 A CB -0.587 18.340 19.000 -0.121 0.000 0.818 224 A HN 0.516 nan 8.150 nan 0.000 0.445 225 D N -0.397 119.997 120.400 -0.012 0.000 2.218 225 D HA -0.097 4.546 4.640 0.005 0.000 0.204 225 D C 1.986 178.333 176.300 0.079 0.000 0.976 225 D CA 1.374 55.389 54.000 0.025 0.000 0.853 225 D CB -0.544 40.258 40.800 0.002 0.000 0.939 225 D HN 0.489 nan 8.370 nan 0.000 0.481 226 G N 0.916 109.760 108.800 0.073 0.000 2.394 226 G HA2 -0.147 3.816 3.960 0.005 0.000 0.215 226 G HA3 -0.147 3.816 3.960 0.005 0.000 0.215 226 G C 1.826 176.850 174.900 0.207 0.000 1.165 226 G CA 0.070 45.252 45.100 0.137 0.000 0.784 226 G HN 0.226 nan 8.290 nan 0.000 0.535 227 L N 0.674 121.996 121.223 0.166 0.000 2.083 227 L HA -0.078 4.264 4.340 0.005 0.000 0.209 227 L C 2.662 179.694 176.870 0.270 0.000 1.083 227 L CA 0.864 55.861 54.840 0.263 0.000 0.752 227 L CB -0.456 41.704 42.059 0.169 0.000 0.899 227 L HN 0.129 nan 8.230 nan 0.000 0.433 228 N N 0.110 118.911 118.700 0.169 0.000 2.166 228 N HA -0.217 4.526 4.740 0.005 0.000 0.186 228 N C 1.675 177.264 175.510 0.131 0.000 1.019 228 N CA 1.227 54.361 53.050 0.141 0.000 0.856 228 N CB -0.479 38.063 38.487 0.092 0.000 0.993 228 N HN 0.254 nan 8.380 nan 0.000 0.426 229 F N 1.316 121.274 119.950 0.013 0.000 2.134 229 F HA -0.050 4.478 4.527 0.002 0.000 0.299 229 F C 1.969 177.720 175.800 -0.081 0.000 1.097 229 F CA 0.765 58.745 58.000 -0.034 0.000 1.264 229 F CB -0.327 38.645 39.000 -0.046 0.000 1.001 229 F HN -0.020 nan 8.300 nan 0.000 0.479 230 L N -1.292 119.750 121.223 -0.302 0.000 2.240 230 L HA 0.001 4.344 4.340 0.005 0.000 0.211 230 L C 0.802 177.287 176.870 -0.642 0.000 1.106 230 L CA 1.474 55.960 54.840 -0.591 0.000 0.793 230 L CB -0.618 41.178 42.059 -0.438 0.000 0.927 230 L HN 0.225 nan 8.230 nan 0.000 0.446 231 W N -0.708 120.519 121.300 -0.121 0.000 3.067 231 W HA 0.340 5.001 4.660 0.002 0.000 0.417 231 W C 0.162 176.620 176.519 -0.101 0.000 1.029 231 W CA -0.406 56.888 57.345 -0.085 0.000 1.992 231 W CB 0.193 29.635 29.460 -0.031 0.000 1.122 231 W HN -0.200 nan 8.180 nan 0.000 0.681 232 T N 1.898 116.448 114.554 -0.007 0.000 2.756 232 T HA 0.280 4.632 4.350 0.005 0.000 0.290 232 T C -2.330 172.271 174.700 -0.164 0.000 0.985 232 T CA -1.536 60.537 62.100 -0.044 0.000 0.955 232 T CB 1.294 70.140 68.868 -0.036 0.000 0.930 232 T HN -0.433 nan 8.240 nan 0.000 0.451 233 P HA 0.174 nan 4.420 nan 0.000 0.267 233 P C -0.452 176.538 177.300 -0.517 0.000 1.200 233 P CA -0.130 62.687 63.100 -0.472 0.000 0.772 233 P CB 0.479 31.746 31.700 -0.722 0.000 0.855 234 D N 2.083 122.160 120.400 -0.539 0.000 2.429 234 D HA 0.133 4.776 4.640 0.005 0.000 0.255 234 D C -0.021 176.124 176.300 -0.258 0.000 1.257 234 D CA -0.358 53.452 54.000 -0.317 0.000 0.890 234 D CB -0.068 40.626 40.800 -0.176 0.000 1.267 234 D HN 0.053 nan 8.370 nan 0.000 0.521 235 F N 1.001 120.962 119.950 0.019 0.000 2.724 235 F HA 0.006 4.535 4.527 0.003 0.000 0.297 235 F C 1.866 177.694 175.800 0.047 0.000 1.200 235 F CA 0.640 58.661 58.000 0.036 0.000 1.468 235 F CB -0.087 38.938 39.000 0.041 0.000 1.116 235 F HN 0.306 nan 8.300 nan 0.000 0.599 236 E N -0.528 119.759 120.200 0.145 0.000 2.476 236 E HA 0.012 4.365 4.350 0.005 0.000 0.196 236 E C 1.535 178.191 176.600 0.093 0.000 1.029 236 E CA 0.077 56.548 56.400 0.119 0.000 0.896 236 E CB 0.176 29.929 29.700 0.089 0.000 1.012 236 E HN 0.333 nan 8.360 nan 0.000 0.475 237 K N 0.317 120.764 120.400 0.079 0.000 2.425 237 K HA 0.097 4.419 4.320 0.005 0.000 0.201 237 K C 1.410 178.083 176.600 0.121 0.000 1.128 237 K CA -0.087 56.242 56.287 0.070 0.000 1.000 237 K CB 0.420 32.926 32.500 0.010 0.000 0.961 237 K HN -0.068 nan 8.250 nan 0.000 0.555 238 L N 1.353 122.672 121.223 0.160 0.000 2.357 238 L HA -0.166 4.177 4.340 0.005 0.000 0.220 238 L C 1.043 178.203 176.870 0.483 0.000 1.123 238 L CA 1.767 56.789 54.840 0.303 0.000 0.782 238 L CB -0.324 41.931 42.059 0.327 0.000 0.910 238 L HN 0.009 nan 8.230 nan 0.000 0.442 239 K N -0.995 119.582 120.400 0.295 0.000 2.387 239 K HA 0.075 4.398 4.320 0.005 0.000 0.198 239 K C 0.093 176.827 176.600 0.222 0.000 1.022 239 K CA -0.047 56.382 56.287 0.236 0.000 1.128 239 K CB 0.067 32.656 32.500 0.147 0.000 0.853 239 K HN 0.051 nan 8.250 nan 0.000 0.523 240 D N -0.015 120.549 120.400 0.272 0.000 2.329 240 D HA 0.135 4.777 4.640 0.005 0.000 0.232 240 D C -2.021 174.474 176.300 0.325 0.000 1.088 240 D CA -2.445 51.690 54.000 0.224 0.000 0.835 240 D CB 1.778 42.667 40.800 0.148 0.000 1.078 240 D HN -0.167 nan 8.370 nan 0.000 0.495 241 P HA -0.055 nan 4.420 nan 0.000 0.215 241 P C 1.331 178.731 177.300 0.167 0.000 1.153 241 P CA 1.116 64.345 63.100 0.215 0.000 0.853 241 P CB 0.242 32.036 31.700 0.157 0.000 0.788 242 G N -0.167 108.710 108.800 0.128 0.000 2.476 242 G HA2 -0.275 3.688 3.960 0.005 0.000 0.218 242 G HA3 -0.275 3.688 3.960 0.005 0.000 0.218 242 G C 1.602 176.485 174.900 -0.029 0.000 1.164 242 G CA 1.067 46.150 45.100 -0.030 0.000 0.768 242 G HN 0.174 nan 8.290 nan 0.000 0.560 243 V N -0.739 119.203 119.914 0.048 0.000 2.427 243 V HA -0.137 3.986 4.120 0.005 0.000 0.248 243 V C 2.401 178.471 176.094 -0.040 0.000 1.051 243 V CA 1.619 63.929 62.300 0.016 0.000 1.048 243 V CB -0.606 31.189 31.823 -0.046 0.000 0.666 243 V HN 0.564 nan 8.190 nan 0.000 0.456 244 W N -0.223 121.071 121.300 -0.010 0.000 2.381 244 W HA -0.006 4.657 4.660 0.005 0.000 0.301 244 W C 2.317 178.788 176.519 -0.081 0.000 1.205 244 W CA 0.883 58.218 57.345 -0.017 0.000 1.285 244 W CB -0.353 29.091 29.460 -0.027 0.000 1.133 244 W HN 0.134 nan 8.180 nan 0.000 0.521 245 I N -0.027 120.538 120.570 -0.008 0.000 2.226 245 I HA -0.317 3.856 4.170 0.005 0.000 0.245 245 I C 2.544 178.537 176.117 -0.207 0.000 1.100 245 I CA 1.388 62.483 61.300 -0.341 0.000 1.374 245 I CB -0.910 36.623 38.000 -0.778 0.000 1.057 245 I HN -0.038 nan 8.210 nan 0.000 0.413 246 A N 0.798 123.579 122.820 -0.065 0.000 1.877 246 A HA -0.172 4.151 4.320 0.005 0.000 0.216 246 A C 2.565 180.354 177.584 0.341 0.000 1.186 246 A CA 1.894 54.002 52.037 0.118 0.000 0.620 246 A CB -0.921 18.173 19.000 0.157 0.000 0.822 246 A HN 0.421 nan 8.150 nan 0.000 0.443 247 A N -0.554 122.431 122.820 0.274 0.000 1.865 247 A HA -0.060 4.263 4.320 0.005 0.000 0.217 247 A C 2.255 179.980 177.584 0.235 0.000 1.191 247 A CA 2.041 54.128 52.037 0.084 0.000 0.623 247 A CB -1.091 17.717 19.000 -0.321 0.000 0.826 247 A HN 0.447 nan 8.150 nan 0.000 0.444 248 V N -0.066 120.010 119.914 0.271 0.000 2.343 248 V HA -0.164 3.958 4.120 0.005 0.000 0.247 248 V C 2.829 179.226 176.094 0.505 0.000 1.051 248 V CA 1.909 64.452 62.300 0.404 0.000 1.036 248 V CB -1.543 30.549 31.823 0.447 0.000 0.654 248 V HN 0.630 nan 8.190 nan 0.000 0.451 249 G N -0.695 108.342 108.800 0.395 0.000 2.440 249 G HA2 -0.373 3.590 3.960 0.005 0.000 0.218 249 G HA3 -0.373 3.590 3.960 0.005 0.000 0.218 249 G C 1.529 176.742 174.900 0.522 0.000 1.154 249 G CA 1.191 46.563 45.100 0.455 0.000 0.767 249 G HN 0.506 nan 8.290 nan 0.000 0.552 250 Q N 0.212 120.304 119.800 0.487 0.000 2.084 250 Q HA -0.050 4.293 4.340 0.005 0.000 0.202 250 Q C 2.449 178.781 176.000 0.554 0.000 0.978 250 Q CA 1.004 57.136 55.803 0.549 0.000 0.844 250 Q CB -0.352 28.793 28.738 0.679 0.000 0.898 250 Q HN 0.384 nan 8.270 nan 0.000 0.426 251 I N -0.008 120.822 120.570 0.432 0.000 2.208 251 I HA -0.245 3.928 4.170 0.005 0.000 0.245 251 I C 1.945 178.225 176.117 0.271 0.000 1.097 251 I CA 1.348 62.788 61.300 0.233 0.000 1.363 251 I CB -1.135 36.895 38.000 0.050 0.000 1.051 251 I HN 0.213 nan 8.210 nan 0.000 0.413 252 F N 0.260 120.391 119.950 0.302 0.000 2.075 252 F HA -0.270 4.259 4.527 0.005 0.000 0.297 252 F C 2.537 178.613 175.800 0.461 0.000 1.113 252 F CA 1.842 60.034 58.000 0.319 0.000 1.218 252 F CB -0.858 38.314 39.000 0.286 0.000 0.984 252 F HN -0.073 nan 8.300 nan 0.000 0.472 253 F N 0.183 120.501 119.950 0.613 0.000 2.069 253 F HA -0.272 4.258 4.527 0.005 0.000 0.298 253 F C 2.762 178.749 175.800 0.312 0.000 1.113 253 F CA 2.211 60.554 58.000 0.572 0.000 1.214 253 F CB -0.912 38.367 39.000 0.466 0.000 0.978 253 F HN -0.107 nan 8.300 nan 0.000 0.474 254 T N 0.039 114.903 114.554 0.516 0.000 2.833 254 T HA -0.113 4.240 4.350 0.005 0.000 0.269 254 T C 1.780 176.545 174.700 0.108 0.000 1.054 254 T CA 1.363 63.642 62.100 0.298 0.000 1.135 254 T CB -0.360 68.685 68.868 0.295 0.000 0.869 254 T HN 0.241 nan 8.240 nan 0.000 0.466 255 L N 0.576 121.872 121.223 0.121 0.000 2.592 255 L HA 0.243 4.586 4.340 0.005 0.000 0.227 255 L C 1.013 177.889 176.870 0.009 0.000 1.127 255 L CA 0.030 54.900 54.840 0.050 0.000 0.884 255 L CB -0.005 42.082 42.059 0.046 0.000 1.065 255 L HN 0.157 nan 8.230 nan 0.000 0.457 256 S N 0.385 116.067 115.700 -0.030 0.000 3.635 256 S HA -0.155 4.317 4.470 0.005 0.000 0.328 256 S C 0.249 175.024 174.600 0.291 0.000 1.135 256 S CA 0.399 58.512 58.200 -0.145 0.000 0.942 256 S CB -1.815 61.193 63.200 -0.320 0.000 0.930 256 S HN 0.288 nan 8.310 nan 0.000 0.512 257 L N 0.423 121.896 121.223 0.417 0.000 2.312 257 L HA 0.597 4.940 4.340 0.005 0.000 0.281 257 L C 1.495 178.709 176.870 0.574 0.000 1.070 257 L CA 0.370 55.431 54.840 0.368 0.000 0.805 257 L CB 0.896 42.984 42.059 0.048 0.000 1.174 257 L HN 0.418 nan 8.230 nan 0.000 0.434 258 G N 1.873 110.951 108.800 0.463 0.000 2.159 258 G HA2 -0.310 3.653 3.960 0.005 0.000 0.256 258 G HA3 -0.310 3.653 3.960 0.005 0.000 0.256 258 G C 0.285 175.309 174.900 0.206 0.000 0.977 258 G CA 0.168 45.531 45.100 0.438 0.000 0.652 258 G HN 0.573 nan 8.290 nan 0.000 0.531 259 F N 0.365 120.448 119.950 0.221 0.000 2.678 259 F HA 0.419 4.949 4.527 0.005 0.000 0.305 259 F C 2.114 177.929 175.800 0.024 0.000 1.090 259 F CA 0.682 58.710 58.000 0.046 0.000 1.272 259 F CB 0.774 39.730 39.000 -0.074 0.000 1.060 259 F HN 0.623 nan 8.300 nan 0.000 0.576 260 G N 0.673 109.660 108.800 0.312 0.000 2.196 260 G HA2 -0.382 3.581 3.960 0.005 0.000 0.268 260 G HA3 -0.382 3.581 3.960 0.005 0.000 0.268 260 G C 1.290 176.254 174.900 0.107 0.000 0.975 260 G CA 0.578 45.812 45.100 0.223 0.000 0.648 260 G HN 0.530 nan 8.290 nan 0.000 0.538 261 A N -0.035 122.824 122.820 0.065 0.000 1.903 261 A HA 0.406 4.729 4.320 0.005 0.000 0.213 261 A C 2.318 179.800 177.584 -0.170 0.000 1.185 261 A CA 1.672 53.651 52.037 -0.096 0.000 0.628 261 A CB -0.208 18.646 19.000 -0.242 0.000 0.830 261 A HN 0.435 nan 8.150 nan 0.000 0.446 262 I N 0.372 120.862 120.570 -0.134 0.000 2.252 262 I HA -0.204 3.968 4.170 0.005 0.000 0.245 262 I C 2.399 178.420 176.117 -0.161 0.000 1.102 262 I CA 1.199 62.375 61.300 -0.206 0.000 1.385 262 I CB -1.113 36.810 38.000 -0.128 0.000 1.064 262 I HN 0.301 nan 8.210 nan 0.000 0.414 263 I N 0.527 121.072 120.570 -0.041 0.000 2.163 263 I HA -0.317 3.856 4.170 0.005 0.000 0.243 263 I C 2.479 178.596 176.117 0.001 0.000 1.085 263 I CA 1.639 62.931 61.300 -0.012 0.000 1.347 263 I CB -0.613 37.417 38.000 0.050 0.000 1.044 263 I HN 0.204 nan 8.210 nan 0.000 0.408 264 T N -0.225 114.361 114.554 0.054 0.000 2.746 264 T HA -0.194 4.159 4.350 0.005 0.000 0.267 264 T C 1.827 176.663 174.700 0.227 0.000 1.039 264 T CA 1.348 63.505 62.100 0.095 0.000 1.142 264 T CB -0.348 68.625 68.868 0.175 0.000 0.866 264 T HN 0.177 nan 8.240 nan 0.000 0.444 265 Y N 1.527 121.889 120.300 0.104 0.000 2.181 265 Y HA 0.029 4.582 4.550 0.005 0.000 0.288 265 Y C 2.683 178.761 175.900 0.298 0.000 1.146 265 Y CA 0.173 58.476 58.100 0.338 0.000 1.164 265 Y CB -1.052 37.486 38.460 0.128 0.000 0.982 265 Y HN 0.210 nan 8.280 nan 0.000 0.515 266 A N -0.695 122.166 122.820 0.068 0.000 2.067 266 A HA -0.131 4.192 4.320 0.005 0.000 0.219 266 A C 2.330 179.952 177.584 0.063 0.000 1.158 266 A CA 1.510 53.519 52.037 -0.047 0.000 0.661 266 A CB -0.957 17.913 19.000 -0.218 0.000 0.801 266 A HN 0.454 nan 8.150 nan 0.000 0.452 267 S N -1.718 113.931 115.700 -0.085 0.000 2.555 267 S HA -0.066 4.407 4.470 0.005 0.000 0.230 267 S C 1.102 175.467 174.600 -0.391 0.000 0.978 267 S CA 0.782 58.823 58.200 -0.265 0.000 0.934 267 S CB -0.637 62.300 63.200 -0.440 0.000 0.766 267 S HN 0.572 nan 8.310 nan 0.000 0.533 268 Y N 0.846 121.197 120.300 0.086 0.000 2.467 268 Y HA 0.473 5.026 4.550 0.005 0.000 0.250 268 Y C 0.601 176.657 175.900 0.261 0.000 1.155 268 Y CA -0.907 57.151 58.100 -0.069 0.000 1.249 268 Y CB 0.103 38.199 38.460 -0.608 0.000 1.146 268 Y HN 0.087 nan 8.280 nan 0.000 0.524 269 V N 2.134 122.344 119.914 0.494 0.000 2.530 269 V HA 0.145 4.268 4.120 0.005 0.000 0.282 269 V C 0.633 176.910 176.094 0.304 0.000 1.048 269 V CA -1.018 61.572 62.300 0.484 0.000 0.997 269 V CB 0.731 32.786 31.823 0.387 0.000 0.987 269 V HN 0.213 nan 8.190 nan 0.000 0.477 270 R N 2.759 123.356 120.500 0.162 0.000 2.640 270 R HA -0.017 4.326 4.340 0.005 0.000 0.270 270 R C 1.501 177.825 176.300 0.039 0.000 1.024 270 R CA -0.050 56.010 56.100 -0.066 0.000 1.085 270 R CB 0.385 30.573 30.300 -0.186 0.000 0.963 270 R HN 0.676 nan 8.270 nan 0.000 0.426 271 K N 2.240 122.652 120.400 0.020 0.000 2.160 271 K HA -0.220 4.103 4.320 0.005 0.000 0.206 271 K C 1.150 177.782 176.600 0.054 0.000 1.047 271 K CA 2.266 58.584 56.287 0.053 0.000 0.930 271 K CB 0.074 32.594 32.500 0.034 0.000 0.720 271 K HN 0.703 nan 8.250 nan 0.000 0.450 272 D N -0.396 120.021 120.400 0.027 0.000 2.249 272 D HA -0.132 4.511 4.640 0.005 0.000 0.205 272 D C 0.285 176.607 176.300 0.037 0.000 0.962 272 D CA 0.160 54.176 54.000 0.026 0.000 0.860 272 D CB -0.286 40.519 40.800 0.007 0.000 0.955 272 D HN 0.298 nan 8.370 nan 0.000 0.505 273 Q N 1.574 121.406 119.800 0.052 0.000 2.333 273 Q HA -0.041 4.302 4.340 0.005 0.000 0.299 273 Q C 0.215 176.261 176.000 0.076 0.000 1.067 273 Q CA 0.203 56.049 55.803 0.071 0.000 0.943 273 Q CB 0.740 29.546 28.738 0.114 0.000 1.233 273 Q HN 0.288 nan 8.270 nan 0.000 0.401 274 D N 2.604 123.031 120.400 0.046 0.000 2.414 274 D HA 0.002 4.645 4.640 0.005 0.000 0.242 274 D C 0.430 176.744 176.300 0.023 0.000 1.129 274 D CA 0.164 54.167 54.000 0.006 0.000 0.885 274 D CB 0.637 41.419 40.800 -0.029 0.000 1.198 274 D HN 0.652 nan 8.370 nan 0.000 0.437 275 I N 0.123 120.673 120.570 -0.034 0.000 4.655 275 I HA 0.026 4.199 4.170 0.005 0.000 0.333 275 I C 1.296 177.242 176.117 -0.284 0.000 1.312 275 I CA -0.474 60.767 61.300 -0.097 0.000 1.270 275 I CB 0.296 38.413 38.000 0.195 0.000 1.318 275 I HN 0.154 nan 8.210 nan 0.000 0.456 276 V N 1.713 121.492 119.914 -0.225 0.000 2.244 276 V HA -0.210 3.913 4.120 0.005 0.000 0.244 276 V C 2.479 178.561 176.094 -0.020 0.000 1.042 276 V CA 2.189 64.327 62.300 -0.270 0.000 1.006 276 V CB -0.437 31.131 31.823 -0.425 0.000 0.641 276 V HN 0.463 nan 8.190 nan 0.000 0.446 277 L N -0.115 121.049 121.223 -0.098 0.000 2.109 277 L HA -0.050 4.293 4.340 0.005 0.000 0.207 277 L C 2.493 179.278 176.870 -0.142 0.000 1.086 277 L CA 1.890 56.693 54.840 -0.062 0.000 0.760 277 L CB -0.602 41.423 42.059 -0.057 0.000 0.910 277 L HN 0.256 nan 8.230 nan 0.000 0.437 278 S N -0.137 115.409 115.700 -0.257 0.000 2.356 278 S HA -0.127 4.346 4.470 0.005 0.000 0.223 278 S C 1.902 176.095 174.600 -0.678 0.000 1.032 278 S CA 1.215 59.190 58.200 -0.375 0.000 1.005 278 S CB -1.058 61.926 63.200 -0.360 0.000 0.867 278 S HN 0.680 nan 8.310 nan 0.000 0.449 279 G N 1.574 109.668 108.800 -1.178 0.000 2.418 279 G HA2 -0.165 3.798 3.960 0.005 0.000 0.217 279 G HA3 -0.165 3.798 3.960 0.005 0.000 0.217 279 G C 1.395 175.971 174.900 -0.540 0.000 1.158 279 G CA 0.899 45.228 45.100 -1.285 0.000 0.771 279 G HN 0.416 nan 8.290 nan 0.000 0.545 280 L N 0.978 122.003 121.223 -0.329 0.000 2.083 280 L HA 0.030 4.373 4.340 0.005 0.000 0.209 280 L C 2.815 179.605 176.870 -0.133 0.000 1.083 280 L CA 2.442 57.132 54.840 -0.250 0.000 0.752 280 L CB -0.882 41.175 42.059 -0.002 0.000 0.899 280 L HN 0.169 nan 8.230 nan 0.000 0.433 281 T N -0.228 114.260 114.554 -0.111 0.000 2.777 281 T HA -0.092 4.261 4.350 0.005 0.000 0.266 281 T C 1.923 176.599 174.700 -0.040 0.000 1.040 281 T CA 1.248 63.311 62.100 -0.061 0.000 1.141 281 T CB -0.476 68.357 68.868 -0.058 0.000 0.868 281 T HN 0.512 nan 8.240 nan 0.000 0.444 282 A N 1.520 124.324 122.820 -0.027 0.000 1.902 282 A HA 0.126 4.448 4.320 0.005 0.000 0.217 282 A C 2.632 180.230 177.584 0.023 0.000 1.181 282 A CA 1.890 53.952 52.037 0.043 0.000 0.623 282 A CB -1.115 18.003 19.000 0.197 0.000 0.818 282 A HN 0.503 nan 8.150 nan 0.000 0.443 283 A N -0.282 122.536 122.820 -0.003 0.000 1.902 283 A HA -0.103 4.220 4.320 0.005 0.000 0.217 283 A C 2.465 180.088 177.584 0.064 0.000 1.181 283 A CA 2.592 54.654 52.037 0.040 0.000 0.623 283 A CB -1.414 17.572 19.000 -0.024 0.000 0.818 283 A HN 0.780 nan 8.150 nan 0.000 0.443 284 T N -1.635 112.944 114.554 0.042 0.000 2.821 284 T HA -0.027 4.326 4.350 0.005 0.000 0.267 284 T C 1.856 176.528 174.700 -0.045 0.000 1.046 284 T CA 1.300 63.405 62.100 0.009 0.000 1.139 284 T CB -0.546 68.337 68.868 0.024 0.000 0.871 284 T HN 0.271 nan 8.240 nan 0.000 0.454 285 L N 1.404 122.607 121.223 -0.034 0.000 2.046 285 L HA -0.082 4.261 4.340 0.005 0.000 0.208 285 L C 2.920 179.763 176.870 -0.045 0.000 1.077 285 L CA 1.875 56.690 54.840 -0.042 0.000 0.747 285 L CB -0.748 41.289 42.059 -0.036 0.000 0.896 285 L HN 0.371 nan 8.230 nan 0.000 0.432 286 N N -0.242 118.432 118.700 -0.044 0.000 2.120 286 N HA -0.218 4.525 4.740 0.005 0.000 0.188 286 N C 1.792 177.230 175.510 -0.121 0.000 1.024 286 N CA 1.228 54.241 53.050 -0.060 0.000 0.852 286 N CB 0.105 38.570 38.487 -0.036 0.000 1.003 286 N HN 0.148 nan 8.380 nan 0.000 0.424 287 E N 0.567 120.661 120.200 -0.177 0.000 2.110 287 E HA -0.136 4.217 4.350 0.005 0.000 0.193 287 E C 1.758 178.249 176.600 -0.182 0.000 0.988 287 E CA 0.894 57.132 56.400 -0.271 0.000 0.804 287 E CB -0.127 29.243 29.700 -0.549 0.000 0.745 287 E HN 0.534 nan 8.360 nan 0.000 0.458 288 K N 0.565 120.896 120.400 -0.115 0.000 2.057 288 K HA -0.004 4.319 4.320 0.005 0.000 0.206 288 K C 2.169 178.751 176.600 -0.029 0.000 1.050 288 K CA 1.094 57.352 56.287 -0.048 0.000 0.935 288 K CB -0.113 32.377 32.500 -0.016 0.000 0.715 288 K HN 0.036 nan 8.250 nan 0.000 0.439 289 A N 1.416 124.212 122.820 -0.041 0.000 1.972 289 A HA -0.224 4.099 4.320 0.005 0.000 0.219 289 A C 2.060 179.510 177.584 -0.223 0.000 1.169 289 A CA 1.720 53.736 52.037 -0.036 0.000 0.635 289 A CB -0.340 18.657 19.000 -0.006 0.000 0.810 289 A HN 0.396 nan 8.150 nan 0.000 0.446 290 E N -0.108 119.916 120.200 -0.293 0.000 2.021 290 E HA -0.115 4.238 4.350 0.005 0.000 0.189 290 E C 1.979 178.233 176.600 -0.576 0.000 0.980 290 E CA 1.806 57.910 56.400 -0.493 0.000 0.803 290 E CB -0.192 29.207 29.700 -0.502 0.000 0.766 290 E HN 0.457 nan 8.360 nan 0.000 0.449 291 V N -0.838 118.817 119.914 -0.431 0.000 2.591 291 V HA -0.053 4.070 4.120 0.005 0.000 0.249 291 V C 2.106 178.308 176.094 0.181 0.000 1.053 291 V CA 1.319 63.506 62.300 -0.188 0.000 1.068 291 V CB -0.462 31.412 31.823 0.086 0.000 0.689 291 V HN 0.282 nan 8.190 nan 0.000 0.462 292 I N -0.472 120.166 120.570 0.114 0.000 2.429 292 I HA 0.027 4.200 4.170 0.005 0.000 0.247 292 I C 2.440 178.651 176.117 0.156 0.000 1.099 292 I CA 1.127 62.526 61.300 0.165 0.000 1.422 292 I CB -0.115 37.947 38.000 0.104 0.000 1.112 292 I HN 0.234 nan 8.210 nan 0.000 0.430 293 L N 0.234 121.528 121.223 0.118 0.000 2.121 293 L HA 0.130 4.473 4.340 0.005 0.000 0.200 293 L C 2.689 179.710 176.870 0.252 0.000 1.077 293 L CA 1.287 56.242 54.840 0.191 0.000 0.766 293 L CB -1.187 41.045 42.059 0.288 0.000 0.931 293 L HN 0.227 nan 8.230 nan 0.000 0.452 294 G N -0.057 108.778 108.800 0.058 0.000 2.422 294 G HA2 -0.171 3.792 3.960 0.005 0.000 0.218 294 G HA3 -0.171 3.792 3.960 0.005 0.000 0.218 294 G C 1.551 176.605 174.900 0.257 0.000 1.146 294 G CA 0.750 45.906 45.100 0.094 0.000 0.769 294 G HN 0.480 nan 8.290 nan 0.000 0.547 295 G N 0.066 109.017 108.800 0.251 0.000 2.484 295 G HA2 0.025 3.988 3.960 0.005 0.000 0.218 295 G HA3 0.025 3.988 3.960 0.005 0.000 0.218 295 G C 1.749 176.829 174.900 0.300 0.000 1.130 295 G CA 1.116 46.439 45.100 0.372 0.000 0.784 295 G HN 0.407 nan 8.290 nan 0.000 0.543 296 S N -0.191 115.682 115.700 0.288 0.000 2.575 296 S HA 0.298 4.771 4.470 0.005 0.000 0.215 296 S C 1.700 176.427 174.600 0.212 0.000 0.966 296 S CA -0.250 58.139 58.200 0.314 0.000 0.911 296 S CB 0.177 63.569 63.200 0.319 0.000 0.780 296 S HN 0.352 nan 8.310 nan 0.000 0.514 297 I N 1.138 121.795 120.570 0.145 0.000 3.313 297 I HA -0.047 4.126 4.170 0.005 0.000 0.233 297 I C 2.567 178.625 176.117 -0.098 0.000 1.050 297 I CA 0.802 62.111 61.300 0.015 0.000 1.499 297 I CB -0.530 37.475 38.000 0.009 0.000 1.373 297 I HN 0.286 nan 8.210 nan 0.000 0.458 298 S N 1.430 117.047 115.700 -0.138 0.000 2.368 298 S HA -0.104 4.369 4.470 0.005 0.000 0.225 298 S C 2.035 176.573 174.600 -0.103 0.000 1.030 298 S CA 0.821 58.892 58.200 -0.215 0.000 0.999 298 S CB -0.544 62.556 63.200 -0.167 0.000 0.844 298 S HN 0.222 nan 8.310 nan 0.000 0.459 299 I N 3.161 123.725 120.570 -0.010 0.000 2.113 299 I HA 0.007 4.180 4.170 0.005 0.000 0.238 299 I C -0.550 175.585 176.117 0.031 0.000 1.070 299 I CA 0.637 61.946 61.300 0.016 0.000 1.332 299 I CB -2.616 35.431 38.000 0.077 0.000 1.044 299 I HN 0.213 nan 8.210 nan 0.000 0.402 300 P HA -0.127 nan 4.420 nan 0.000 0.215 300 P C 1.700 179.029 177.300 0.049 0.000 1.153 300 P CA 2.074 65.229 63.100 0.092 0.000 0.853 300 P CB 0.001 31.810 31.700 0.182 0.000 0.788 301 A N -0.049 122.768 122.820 -0.005 0.000 1.877 301 A HA -0.136 4.187 4.320 0.005 0.000 0.216 301 A C 2.334 179.873 177.584 -0.075 0.000 1.186 301 A CA 2.243 54.236 52.037 -0.073 0.000 0.620 301 A CB -1.646 17.201 19.000 -0.255 0.000 0.822 301 A HN 0.192 nan 8.150 nan 0.000 0.443 302 A N -0.681 122.096 122.820 -0.071 0.000 1.902 302 A HA 0.016 4.339 4.320 0.005 0.000 0.217 302 A C 2.237 179.876 177.584 0.091 0.000 1.181 302 A CA 1.799 53.860 52.037 0.040 0.000 0.623 302 A CB -0.922 18.096 19.000 0.029 0.000 0.818 302 A HN 0.396 nan 8.150 nan 0.000 0.443 303 V N -0.115 119.808 119.914 0.016 0.000 2.358 303 V HA -0.228 3.895 4.120 0.005 0.000 0.246 303 V C 3.059 179.154 176.094 0.001 0.000 1.047 303 V CA 1.834 64.127 62.300 -0.012 0.000 1.035 303 V CB -1.266 30.525 31.823 -0.054 0.000 0.658 303 V HN 0.613 nan 8.190 nan 0.000 0.452 304 A N -0.509 122.326 122.820 0.024 0.000 1.908 304 A HA -0.218 4.105 4.320 0.005 0.000 0.218 304 A C 2.022 179.568 177.584 -0.064 0.000 1.181 304 A CA 2.060 54.104 52.037 0.011 0.000 0.627 304 A CB -0.670 18.384 19.000 0.091 0.000 0.818 304 A HN 0.478 nan 8.150 nan 0.000 0.445 305 F N -2.430 117.326 119.950 -0.324 0.000 2.335 305 F HA 0.159 4.690 4.527 0.006 0.000 0.296 305 F C 1.311 176.672 175.800 -0.733 0.000 1.091 305 F CA 0.813 58.452 58.000 -0.602 0.000 1.399 305 F CB 0.023 38.468 39.000 -0.925 0.000 1.067 305 F HN 0.221 nan 8.300 nan 0.000 0.520 306 F N -0.834 119.166 119.950 0.084 0.000 2.767 306 F HA 0.506 5.035 4.527 0.004 0.000 0.323 306 F C 1.084 176.859 175.800 -0.042 0.000 1.091 306 F CA 0.048 58.053 58.000 0.009 0.000 1.192 306 F CB -0.138 38.859 39.000 -0.004 0.000 1.056 306 F HN -0.085 nan 8.300 nan 0.000 0.571 307 G N 0.490 109.334 108.800 0.074 0.000 2.730 307 G HA2 -0.145 3.818 3.960 0.005 0.000 0.686 307 G HA3 -0.145 3.818 3.960 0.005 0.000 0.686 307 G C 0.457 175.322 174.900 -0.059 0.000 1.343 307 G CA -0.596 44.502 45.100 -0.003 0.000 0.826 307 G HN -0.055 nan 8.290 nan 0.000 0.582 308 V N 1.372 121.202 119.914 -0.141 0.000 2.261 308 V HA -0.090 4.033 4.120 0.005 0.000 0.246 308 V C 3.467 179.392 176.094 -0.282 0.000 1.047 308 V CA 3.500 65.610 62.300 -0.316 0.000 1.015 308 V CB -1.433 30.178 31.823 -0.354 0.000 0.642 308 V HN 1.905 nan 8.190 nan 0.000 0.446 309 A N 0.366 123.088 122.820 -0.162 0.000 1.917 309 A HA -0.283 4.040 4.320 0.005 0.000 0.219 309 A C 2.097 179.613 177.584 -0.112 0.000 1.182 309 A CA 2.344 54.309 52.037 -0.120 0.000 0.633 309 A CB -0.713 18.246 19.000 -0.067 0.000 0.819 309 A HN 0.612 nan 8.150 nan 0.000 0.448 310 N N -0.050 118.602 118.700 -0.081 0.000 2.216 310 N HA -0.037 4.706 4.740 0.005 0.000 0.183 310 N C 1.971 177.410 175.510 -0.118 0.000 1.017 310 N CA 1.358 54.357 53.050 -0.085 0.000 0.861 310 N CB -0.519 37.951 38.487 -0.028 0.000 0.986 310 N HN 0.463 nan 8.380 nan 0.000 0.428 311 A N 1.023 123.785 122.820 -0.096 0.000 1.883 311 A HA -0.106 4.216 4.320 0.005 0.000 0.217 311 A C 2.528 180.013 177.584 -0.165 0.000 1.186 311 A CA 1.452 53.423 52.037 -0.110 0.000 0.624 311 A CB -0.882 18.031 19.000 -0.145 0.000 0.822 311 A HN 0.092 nan 8.150 nan 0.000 0.444 312 V N -0.097 119.685 119.914 -0.221 0.000 2.287 312 V HA -0.275 3.848 4.120 0.005 0.000 0.248 312 V C 3.071 179.091 176.094 -0.123 0.000 1.053 312 V CA 2.041 64.232 62.300 -0.181 0.000 1.027 312 V CB -1.332 30.381 31.823 -0.183 0.000 0.646 312 V HN 0.633 nan 8.190 nan 0.000 0.447 313 A N -0.210 122.540 122.820 -0.116 0.000 1.940 313 A HA -0.204 4.119 4.320 0.005 0.000 0.219 313 A C 2.186 179.711 177.584 -0.098 0.000 1.176 313 A CA 2.033 54.013 52.037 -0.096 0.000 0.631 313 A CB -0.583 18.361 19.000 -0.094 0.000 0.814 313 A HN 0.530 nan 8.150 nan 0.000 0.446 314 I N -0.389 120.108 120.570 -0.121 0.000 2.179 314 I HA -0.300 3.873 4.170 0.005 0.000 0.242 314 I C 2.991 179.063 176.117 -0.076 0.000 1.088 314 I CA 1.167 62.399 61.300 -0.113 0.000 1.357 314 I CB -0.373 37.541 38.000 -0.144 0.000 1.051 314 I HN 0.367 nan 8.210 nan 0.000 0.409 315 A N 0.658 123.427 122.820 -0.085 0.000 1.933 315 A HA -0.212 4.111 4.320 0.005 0.000 0.218 315 A C 2.288 179.821 177.584 -0.084 0.000 1.175 315 A CA 1.583 53.571 52.037 -0.082 0.000 0.628 315 A CB -0.425 18.510 19.000 -0.107 0.000 0.814 315 A HN 0.335 nan 8.150 nan 0.000 0.444 316 K N -0.401 119.950 120.400 -0.082 0.000 2.217 316 K HA 0.054 4.377 4.320 0.005 0.000 0.202 316 K C 2.135 178.703 176.600 -0.055 0.000 1.051 316 K CA 0.840 57.083 56.287 -0.074 0.000 0.952 316 K CB -0.208 32.252 32.500 -0.066 0.000 0.736 316 K HN 0.444 nan 8.250 nan 0.000 0.453 317 A N 1.231 124.024 122.820 -0.044 0.000 1.968 317 A HA 0.069 4.392 4.320 0.005 0.000 0.217 317 A C 0.993 178.577 177.584 0.001 0.000 1.169 317 A CA 1.250 53.275 52.037 -0.021 0.000 0.638 317 A CB 0.078 19.066 19.000 -0.020 0.000 0.812 317 A HN 0.319 nan 8.150 nan 0.000 0.446 318 G N -2.982 105.818 108.800 -0.000 0.000 2.715 318 G HA2 0.519 4.482 3.960 0.005 0.000 0.297 318 G HA3 0.519 4.482 3.960 0.005 0.000 0.297 318 G C 0.413 175.307 174.900 -0.012 0.000 1.386 318 G CA 0.162 45.276 45.100 0.024 0.000 1.157 318 G HN 0.666 nan 8.290 nan 0.000 0.585 319 A N 1.538 124.284 122.820 -0.123 0.000 1.978 319 A HA 0.089 4.412 4.320 0.005 0.000 0.220 319 A C 1.528 178.983 177.584 -0.215 0.000 1.170 319 A CA 1.597 53.473 52.037 -0.269 0.000 0.636 319 A CB -0.359 18.337 19.000 -0.507 0.000 0.810 319 A HN 0.682 nan 8.150 nan 0.000 0.448 320 F N -0.165 119.897 119.950 0.187 0.000 2.727 320 F HA 0.125 4.655 4.527 0.005 0.000 0.302 320 F C 1.759 177.765 175.800 0.343 0.000 1.097 320 F CA -0.196 58.005 58.000 0.336 0.000 1.330 320 F CB -0.330 38.872 39.000 0.336 0.000 1.084 320 F HN 0.120 nan 8.300 nan 0.000 0.578 321 N N 0.648 119.552 118.700 0.339 0.000 2.036 321 N HA -0.180 4.563 4.740 0.005 0.000 0.195 321 N C 1.980 177.611 175.510 0.202 0.000 1.037 321 N CA 1.188 54.388 53.050 0.251 0.000 0.855 321 N CB -0.640 37.921 38.487 0.124 0.000 1.033 321 N HN 0.176 nan 8.380 nan 0.000 0.423 322 L N 0.530 121.835 121.223 0.137 0.000 2.017 322 L HA -0.030 4.313 4.340 0.005 0.000 0.208 322 L C 2.167 179.077 176.870 0.067 0.000 1.073 322 L CA 1.856 56.730 54.840 0.056 0.000 0.745 322 L CB -1.147 40.925 42.059 0.021 0.000 0.894 322 L HN 0.243 nan 8.230 nan 0.000 0.432 323 G N -2.502 106.423 108.800 0.208 0.000 2.408 323 G HA2 -0.200 3.763 3.960 0.005 0.000 0.215 323 G HA3 -0.200 3.763 3.960 0.005 0.000 0.215 323 G C 1.240 176.257 174.900 0.195 0.000 1.156 323 G CA 0.402 45.650 45.100 0.247 0.000 0.793 323 G HN 0.365 nan 8.290 nan 0.000 0.535 324 F N -0.510 119.679 119.950 0.398 0.000 2.717 324 F HA 0.458 4.988 4.527 0.005 0.000 0.295 324 F C 1.966 178.049 175.800 0.472 0.000 1.117 324 F CA 0.026 58.280 58.000 0.422 0.000 1.361 324 F CB 0.454 39.556 39.000 0.170 0.000 1.112 324 F HN 0.053 nan 8.300 nan 0.000 0.594 325 I N -2.055 118.791 120.570 0.459 0.000 3.650 325 I HA -0.060 4.113 4.170 0.005 0.000 0.261 325 I C 2.001 178.170 176.117 0.086 0.000 1.154 325 I CA 0.552 62.065 61.300 0.355 0.000 1.418 325 I CB -0.423 37.758 38.000 0.302 0.000 1.539 325 I HN -0.203 nan 8.210 nan 0.000 0.449 326 T N 1.986 116.549 114.554 0.015 0.000 2.674 326 T HA -0.148 4.205 4.350 0.005 0.000 0.265 326 T C 1.858 176.362 174.700 -0.326 0.000 1.039 326 T CA 1.428 63.466 62.100 -0.104 0.000 1.150 326 T CB -0.310 68.524 68.868 -0.056 0.000 0.864 326 T HN 0.067 nan 8.240 nan 0.000 0.427 327 L N 2.695 123.649 121.223 -0.448 0.000 2.012 327 L HA -0.020 4.323 4.340 0.005 0.000 0.210 327 L C -0.661 175.606 176.870 -1.005 0.000 1.073 327 L CA 1.935 56.228 54.840 -0.912 0.000 0.748 327 L CB -1.254 40.079 42.059 -1.211 0.000 0.891 327 L HN 0.155 nan 8.230 nan 0.000 0.431 328 P HA -0.158 nan 4.420 nan 0.000 0.217 328 P C 1.381 178.223 177.300 -0.762 0.000 1.150 328 P CA 1.970 64.857 63.100 -0.355 0.000 0.832 328 P CB -0.122 31.674 31.700 0.161 0.000 0.787 329 A N 0.181 122.326 122.820 -1.125 0.000 1.877 329 A HA -0.145 4.178 4.320 0.005 0.000 0.216 329 A C 2.395 179.655 177.584 -0.541 0.000 1.186 329 A CA 1.380 52.706 52.037 -1.185 0.000 0.620 329 A CB -1.556 17.103 19.000 -0.568 0.000 0.822 329 A HN 0.102 nan 8.150 nan 0.000 0.443 330 I N -1.435 118.783 120.570 -0.586 0.000 2.179 330 I HA -0.238 3.935 4.170 0.005 0.000 0.242 330 I C 2.222 178.058 176.117 -0.469 0.000 1.088 330 I CA 1.239 62.067 61.300 -0.787 0.000 1.357 330 I CB -0.416 36.931 38.000 -1.088 0.000 1.051 330 I HN 0.255 nan 8.210 nan 0.000 0.409 331 F N 1.301 121.002 119.950 -0.416 0.000 2.161 331 F HA -0.236 4.293 4.527 0.004 0.000 0.300 331 F C 3.012 178.763 175.800 -0.082 0.000 1.089 331 F CA 1.404 59.269 58.000 -0.225 0.000 1.282 331 F CB -1.588 37.313 39.000 -0.164 0.000 1.010 331 F HN 0.199 nan 8.300 nan 0.000 0.485 332 S N -0.647 115.129 115.700 0.126 0.000 2.469 332 S HA -0.173 4.300 4.470 0.005 0.000 0.238 332 S C 1.524 176.213 174.600 0.148 0.000 0.998 332 S CA 0.810 59.124 58.200 0.190 0.000 0.957 332 S CB -0.381 63.005 63.200 0.310 0.000 0.764 332 S HN 0.368 nan 8.310 nan 0.000 0.514 333 Q N 1.682 121.544 119.800 0.104 0.000 2.403 333 Q HA 0.180 4.523 4.340 0.005 0.000 0.203 333 Q C 0.709 176.801 176.000 0.154 0.000 0.932 333 Q CA 0.621 56.511 55.803 0.146 0.000 0.945 333 Q CB 0.267 29.141 28.738 0.226 0.000 1.045 333 Q HN 0.883 nan 8.270 nan 0.000 0.511 334 T N -3.563 111.069 114.554 0.131 0.000 2.924 334 T HA 0.740 5.093 4.350 0.005 0.000 0.291 334 T C -0.259 174.490 174.700 0.083 0.000 1.045 334 T CA -0.823 61.342 62.100 0.108 0.000 1.015 334 T CB 2.085 71.012 68.868 0.098 0.000 1.103 334 T HN 0.061 nan 8.240 nan 0.000 0.496 335 A N 0.460 123.317 122.820 0.062 0.000 2.524 335 A HA 0.550 4.873 4.320 0.005 0.000 0.250 335 A C 1.623 179.241 177.584 0.057 0.000 1.078 335 A CA 0.300 52.368 52.037 0.053 0.000 0.761 335 A CB -1.380 17.642 19.000 0.036 0.000 1.012 335 A HN 2.437 nan 8.150 nan 0.000 0.500 336 G N 1.666 110.510 108.800 0.074 0.000 2.155 336 G HA2 -0.153 3.810 3.960 0.005 0.000 0.257 336 G HA3 -0.153 3.810 3.960 0.005 0.000 0.257 336 G C 1.252 176.243 174.900 0.153 0.000 0.983 336 G CA 0.928 46.094 45.100 0.110 0.000 0.676 336 G HN 1.865 nan 8.290 nan 0.000 0.528 337 G N -0.419 108.457 108.800 0.127 0.000 2.450 337 G HA2 -0.055 3.907 3.960 0.005 0.000 0.220 337 G HA3 -0.055 3.907 3.960 0.005 0.000 0.220 337 G C 1.637 176.698 174.900 0.269 0.000 1.130 337 G CA 2.248 47.433 45.100 0.142 0.000 0.760 337 G HN 0.646 nan 8.290 nan 0.000 0.557 338 T N 0.434 115.171 114.554 0.305 0.000 2.821 338 T HA -0.078 4.275 4.350 0.005 0.000 0.267 338 T C 1.903 176.904 174.700 0.501 0.000 1.046 338 T CA 0.901 63.252 62.100 0.418 0.000 1.139 338 T CB -0.233 68.781 68.868 0.243 0.000 0.871 338 T HN 0.243 nan 8.240 nan 0.000 0.454 339 F N 1.344 121.441 119.950 0.244 0.000 2.186 339 F HA 0.059 4.589 4.527 0.005 0.000 0.299 339 F C 1.906 177.868 175.800 0.271 0.000 1.090 339 F CA 0.559 58.720 58.000 0.268 0.000 1.307 339 F CB -0.304 38.786 39.000 0.150 0.000 1.019 339 F HN -0.003 nan 8.300 nan 0.000 0.489 340 L N 0.150 121.462 121.223 0.149 0.000 2.083 340 L HA -0.110 4.233 4.340 0.005 0.000 0.209 340 L C 2.632 179.461 176.870 -0.068 0.000 1.083 340 L CA 1.917 56.660 54.840 -0.161 0.000 0.752 340 L CB -2.133 39.524 42.059 -0.669 0.000 0.899 340 L HN 0.321 nan 8.230 nan 0.000 0.433 341 G N -0.916 108.014 108.800 0.216 0.000 2.418 341 G HA2 -0.357 3.606 3.960 0.005 0.000 0.217 341 G HA3 -0.357 3.606 3.960 0.005 0.000 0.217 341 G C 1.562 176.570 174.900 0.180 0.000 1.158 341 G CA 0.729 45.984 45.100 0.259 0.000 0.771 341 G HN 0.381 nan 8.290 nan 0.000 0.545 342 F N 1.515 121.569 119.950 0.172 0.000 2.095 342 F HA -0.017 4.513 4.527 0.005 0.000 0.298 342 F C 2.361 178.149 175.800 -0.020 0.000 1.104 342 F CA 1.254 59.326 58.000 0.119 0.000 1.232 342 F CB -0.406 38.555 39.000 -0.064 0.000 0.987 342 F HN 0.065 nan 8.300 nan 0.000 0.475 343 L N -0.554 120.321 121.223 -0.581 0.000 2.083 343 L HA -0.251 4.092 4.340 0.005 0.000 0.209 343 L C 2.626 179.335 176.870 -0.268 0.000 1.083 343 L CA 1.674 56.166 54.840 -0.580 0.000 0.752 343 L CB -1.128 40.740 42.059 -0.320 0.000 0.899 343 L HN 0.548 nan 8.230 nan 0.000 0.433 344 W N 0.980 122.045 121.300 -0.392 0.000 2.354 344 W HA -0.273 4.391 4.660 0.006 0.000 0.315 344 W C 2.138 178.327 176.519 -0.551 0.000 1.206 344 W CA 1.285 58.345 57.345 -0.475 0.000 1.290 344 W CB -0.302 28.830 29.460 -0.547 0.000 1.152 344 W HN 0.054 nan 8.180 nan 0.000 0.489 345 F N -0.268 119.492 119.950 -0.316 0.000 2.293 345 F HA -0.101 4.429 4.527 0.005 0.000 0.300 345 F C 2.207 177.859 175.800 -0.247 0.000 1.086 345 F CA 1.121 58.885 58.000 -0.393 0.000 1.375 345 F CB -1.576 37.346 39.000 -0.131 0.000 1.045 345 F HN -0.158 nan 8.300 nan 0.000 0.516 346 F N 0.234 119.988 119.950 -0.326 0.000 2.146 346 F HA -0.140 4.390 4.527 0.005 0.000 0.298 346 F C 2.216 177.841 175.800 -0.293 0.000 1.096 346 F CA 0.952 58.736 58.000 -0.360 0.000 1.275 346 F CB -0.561 37.956 39.000 -0.804 0.000 1.008 346 F HN -0.041 nan 8.300 nan 0.000 0.480 347 L N 0.404 121.435 121.223 -0.320 0.000 1.989 347 L HA -0.198 4.145 4.340 0.005 0.000 0.211 347 L C 2.102 178.716 176.870 -0.427 0.000 1.071 347 L CA 1.907 56.514 54.840 -0.388 0.000 0.749 347 L CB -1.074 40.717 42.059 -0.446 0.000 0.890 347 L HN 0.214 nan 8.230 nan 0.000 0.431 348 L N -1.502 119.384 121.223 -0.561 0.000 2.079 348 L HA -0.237 4.106 4.340 0.005 0.000 0.210 348 L C 2.514 179.297 176.870 -0.144 0.000 1.081 348 L CA 1.540 56.109 54.840 -0.451 0.000 0.752 348 L CB -0.794 40.885 42.059 -0.634 0.000 0.896 348 L HN 0.347 nan 8.230 nan 0.000 0.433 349 F N 0.267 120.090 119.950 -0.212 0.000 2.102 349 F HA -0.250 4.280 4.527 0.005 0.000 0.298 349 F C 2.243 178.081 175.800 0.063 0.000 1.105 349 F CA 1.411 59.366 58.000 -0.075 0.000 1.239 349 F CB -0.376 38.572 39.000 -0.086 0.000 0.991 349 F HN -0.107 nan 8.300 nan 0.000 0.474 350 F N 0.574 120.267 119.950 -0.429 0.000 2.186 350 F HA -0.013 4.517 4.527 0.005 0.000 0.299 350 F C 2.568 178.238 175.800 -0.218 0.000 1.090 350 F CA 0.797 58.568 58.000 -0.383 0.000 1.307 350 F CB -1.516 37.294 39.000 -0.318 0.000 1.019 350 F HN 0.081 nan 8.300 nan 0.000 0.489 351 A N -0.162 122.668 122.820 0.016 0.000 1.898 351 A HA -0.030 4.293 4.320 0.005 0.000 0.216 351 A C 2.602 180.225 177.584 0.065 0.000 1.181 351 A CA 1.734 53.816 52.037 0.075 0.000 0.620 351 A CB -1.474 17.618 19.000 0.153 0.000 0.819 351 A HN 0.383 nan 8.150 nan 0.000 0.442 352 G N -0.302 108.500 108.800 0.002 0.000 2.394 352 G HA2 -0.079 3.884 3.960 0.005 0.000 0.214 352 G HA3 -0.079 3.884 3.960 0.005 0.000 0.214 352 G C 1.471 176.382 174.900 0.017 0.000 1.176 352 G CA 1.075 46.215 45.100 0.066 0.000 0.786 352 G HN 0.445 nan 8.290 nan 0.000 0.533 353 L N 1.923 122.999 121.223 -0.245 0.000 2.042 353 L HA -0.093 4.250 4.340 0.005 0.000 0.210 353 L C 3.077 179.858 176.870 -0.148 0.000 1.076 353 L CA 2.865 57.516 54.840 -0.315 0.000 0.749 353 L CB -1.110 40.563 42.059 -0.643 0.000 0.893 353 L HN 0.380 nan 8.230 nan 0.000 0.432 354 T N -4.811 109.711 114.554 -0.053 0.000 3.007 354 T HA -0.064 4.289 4.350 0.005 0.000 0.270 354 T C 1.812 176.501 174.700 -0.018 0.000 1.107 354 T CA 1.338 63.457 62.100 0.031 0.000 1.118 354 T CB -0.423 68.468 68.868 0.037 0.000 0.889 354 T HN 0.335 nan 8.240 nan 0.000 0.506 355 S N 1.531 117.199 115.700 -0.053 0.000 2.441 355 S HA 0.033 4.506 4.470 0.005 0.000 0.224 355 S C 2.451 176.884 174.600 -0.279 0.000 1.043 355 S CA 0.660 58.751 58.200 -0.183 0.000 0.948 355 S CB -0.159 62.935 63.200 -0.178 0.000 0.810 355 S HN 0.808 nan 8.310 nan 0.000 0.504 356 S N 3.212 118.827 115.700 -0.142 0.000 2.383 356 S HA -0.074 4.399 4.470 0.005 0.000 0.227 356 S C 1.984 176.512 174.600 -0.120 0.000 1.026 356 S CA 1.123 59.240 58.200 -0.138 0.000 0.981 356 S CB -1.008 62.222 63.200 0.049 0.000 0.818 356 S HN 0.698 nan 8.310 nan 0.000 0.472 357 I N 0.119 120.635 120.570 -0.090 0.000 2.493 357 I HA 0.073 4.246 4.170 0.005 0.000 0.254 357 I C 2.535 178.664 176.117 0.019 0.000 1.160 357 I CA 1.176 62.448 61.300 -0.046 0.000 1.445 357 I CB -0.822 37.148 38.000 -0.050 0.000 1.086 357 I HN 0.323 nan 8.210 nan 0.000 0.433 358 A N 2.658 125.450 122.820 -0.047 0.000 2.014 358 A HA 0.033 4.356 4.320 0.005 0.000 0.218 358 A C 2.255 179.720 177.584 -0.198 0.000 1.163 358 A CA 1.469 53.407 52.037 -0.165 0.000 0.652 358 A CB -0.735 17.969 19.000 -0.494 0.000 0.808 358 A HN 0.714 nan 8.150 nan 0.000 0.449 359 I N -4.965 115.468 120.570 -0.228 0.000 3.793 359 I HA 0.228 4.401 4.170 0.005 0.000 0.315 359 I C 1.774 177.840 176.117 -0.086 0.000 1.275 359 I CA 0.450 61.630 61.300 -0.200 0.000 1.214 359 I CB -0.001 37.804 38.000 -0.324 0.000 1.018 359 I HN 0.113 nan 8.210 nan 0.000 0.439 360 M N 0.271 119.847 119.600 -0.040 0.000 2.567 360 M HA 0.056 4.539 4.480 0.005 0.000 0.261 360 M C 2.067 178.399 176.300 0.052 0.000 1.180 360 M CA 0.549 55.856 55.300 0.012 0.000 1.143 360 M CB 0.212 32.818 32.600 0.010 0.000 1.319 360 M HN 0.148 nan 8.290 nan 0.000 0.490 361 Q N 1.385 121.231 119.800 0.078 0.000 2.181 361 Q HA -0.094 4.249 4.340 0.005 0.000 0.205 361 Q C -1.097 174.990 176.000 0.144 0.000 0.980 361 Q CA 1.981 57.862 55.803 0.131 0.000 0.862 361 Q CB -1.169 27.718 28.738 0.248 0.000 0.905 361 Q HN 0.233 nan 8.270 nan 0.000 0.429 362 P HA -0.138 nan 4.420 nan 0.000 0.215 362 P C 1.125 178.499 177.300 0.123 0.000 1.157 362 P CA 1.386 64.551 63.100 0.108 0.000 0.863 362 P CB -0.141 31.592 31.700 0.056 0.000 0.787 363 M N -1.093 118.569 119.600 0.104 0.000 2.159 363 M HA -0.094 4.389 4.480 0.005 0.000 0.263 363 M C 1.831 178.247 176.300 0.193 0.000 1.063 363 M CA 1.755 57.139 55.300 0.139 0.000 1.110 363 M CB -1.167 31.504 32.600 0.119 0.000 1.374 363 M HN -0.202 nan 8.290 nan 0.000 0.411 364 I N -0.225 120.432 120.570 0.146 0.000 2.179 364 I HA -0.264 3.908 4.170 0.005 0.000 0.242 364 I C 2.388 178.574 176.117 0.116 0.000 1.088 364 I CA 1.240 62.614 61.300 0.123 0.000 1.357 364 I CB -0.777 37.270 38.000 0.077 0.000 1.051 364 I HN 0.385 nan 8.210 nan 0.000 0.409 365 A N 0.526 123.430 122.820 0.139 0.000 1.933 365 A HA -0.258 4.065 4.320 0.005 0.000 0.218 365 A C 2.234 179.877 177.584 0.099 0.000 1.175 365 A CA 1.484 53.599 52.037 0.131 0.000 0.628 365 A CB -0.946 18.151 19.000 0.161 0.000 0.814 365 A HN 0.484 nan 8.150 nan 0.000 0.444 366 F N 0.629 120.586 119.950 0.011 0.000 2.113 366 F HA -0.104 4.426 4.527 0.005 0.000 0.297 366 F C 1.841 177.627 175.800 -0.024 0.000 1.103 366 F CA 1.679 59.669 58.000 -0.017 0.000 1.248 366 F CB -0.278 38.696 39.000 -0.044 0.000 0.999 366 F HN 0.131 nan 8.300 nan 0.000 0.475 367 L N -0.004 121.198 121.223 -0.036 0.000 2.083 367 L HA -0.173 4.170 4.340 0.005 0.000 0.209 367 L C 2.341 179.117 176.870 -0.157 0.000 1.083 367 L CA 1.586 56.351 54.840 -0.125 0.000 0.752 367 L CB -0.736 41.370 42.059 0.079 0.000 0.899 367 L HN 0.227 nan 8.230 nan 0.000 0.433 368 E N -0.015 120.132 120.200 -0.088 0.000 2.028 368 E HA -0.170 4.183 4.350 0.005 0.000 0.190 368 E C 1.780 178.298 176.600 -0.137 0.000 0.984 368 E CA 1.171 57.521 56.400 -0.084 0.000 0.800 368 E CB -0.013 29.662 29.700 -0.042 0.000 0.758 368 E HN 0.434 nan 8.360 nan 0.000 0.448 369 D N 0.675 120.987 120.400 -0.147 0.000 2.097 369 D HA -0.138 4.505 4.640 0.005 0.000 0.195 369 D C 1.843 178.019 176.300 -0.206 0.000 0.989 369 D CA 1.106 55.007 54.000 -0.164 0.000 0.827 369 D CB -0.066 40.669 40.800 -0.108 0.000 0.966 369 D HN 0.139 nan 8.370 nan 0.000 0.456 370 E N -0.168 119.814 120.200 -0.363 0.000 2.251 370 E HA 0.122 4.475 4.350 0.005 0.000 0.194 370 E C 2.091 178.439 176.600 -0.420 0.000 0.964 370 E CA 0.119 56.264 56.400 -0.425 0.000 0.868 370 E CB 0.242 29.516 29.700 -0.711 0.000 0.828 370 E HN 0.297 nan 8.360 nan 0.000 0.481 371 L N 0.714 121.659 121.223 -0.464 0.000 2.640 371 L HA 0.165 4.508 4.340 0.005 0.000 0.230 371 L C -0.053 176.702 176.870 -0.191 0.000 1.123 371 L CA -0.129 54.524 54.840 -0.310 0.000 0.900 371 L CB 0.177 42.053 42.059 -0.303 0.000 1.146 371 L HN -0.135 nan 8.230 nan 0.000 0.484 372 K N 0.529 120.824 120.400 -0.176 0.000 3.088 372 K HA -0.165 4.158 4.320 0.005 0.000 0.273 372 K C -0.028 176.535 176.600 -0.062 0.000 1.111 372 K CA 0.736 56.956 56.287 -0.111 0.000 0.803 372 K CB -2.303 30.140 32.500 -0.095 0.000 1.226 372 K HN 0.345 nan 8.250 nan 0.000 0.485 373 L N 1.050 122.246 121.223 -0.044 0.000 2.453 373 L HA 0.135 4.478 4.340 0.005 0.000 0.261 373 L C 1.545 178.429 176.870 0.023 0.000 1.179 373 L CA -0.190 54.675 54.840 0.042 0.000 0.813 373 L CB 0.640 42.758 42.059 0.098 0.000 1.110 373 L HN 0.263 nan 8.230 nan 0.000 0.466 374 S N 1.006 116.724 115.700 0.029 0.000 2.600 374 S HA 0.112 4.585 4.470 0.005 0.000 0.265 374 S C 0.959 175.532 174.600 -0.044 0.000 1.325 374 S CA -0.486 57.671 58.200 -0.071 0.000 1.002 374 S CB 1.167 64.235 63.200 -0.221 0.000 0.921 374 S HN 0.711 nan 8.310 nan 0.000 0.554 375 R N 1.075 121.529 120.500 -0.077 0.000 2.081 375 R HA -0.128 4.215 4.340 0.005 0.000 0.235 375 R C 2.325 178.601 176.300 -0.041 0.000 1.131 375 R CA 1.777 57.842 56.100 -0.060 0.000 0.960 375 R CB -0.419 29.823 30.300 -0.097 0.000 0.856 375 R HN 0.856 nan 8.270 nan 0.000 0.436 376 K N -0.464 119.883 120.400 -0.089 0.000 2.032 376 K HA -0.222 4.100 4.320 0.005 0.000 0.209 376 K C 1.783 178.415 176.600 0.054 0.000 1.048 376 K CA 2.137 58.381 56.287 -0.071 0.000 0.927 376 K CB -0.218 32.189 32.500 -0.155 0.000 0.712 376 K HN 0.493 nan 8.250 nan 0.000 0.441 377 H N -0.962 118.138 119.070 0.051 0.000 2.389 377 H HA -0.020 4.539 4.556 0.005 0.000 0.299 377 H C 2.060 177.535 175.328 0.245 0.000 1.081 377 H CA 0.562 56.697 56.048 0.146 0.000 1.345 377 H CB 0.104 29.987 29.762 0.202 0.000 1.393 377 H HN 0.399 nan 8.280 nan 0.000 0.520 378 A N 0.646 123.636 122.820 0.282 0.000 1.902 378 A HA -0.124 4.199 4.320 0.005 0.000 0.217 378 A C 2.558 180.258 177.584 0.195 0.000 1.181 378 A CA 1.387 53.561 52.037 0.228 0.000 0.623 378 A CB -0.704 18.368 19.000 0.120 0.000 0.818 378 A HN 0.196 nan 8.150 nan 0.000 0.443 379 V N 0.072 120.054 119.914 0.112 0.000 2.358 379 V HA -0.215 3.908 4.120 0.005 0.000 0.246 379 V C 2.552 178.685 176.094 0.065 0.000 1.047 379 V CA 1.795 64.132 62.300 0.061 0.000 1.035 379 V CB -0.714 31.103 31.823 -0.010 0.000 0.658 379 V HN 0.554 nan 8.190 nan 0.000 0.452 380 L N -1.847 119.404 121.223 0.046 0.000 2.046 380 L HA -0.184 4.159 4.340 0.005 0.000 0.208 380 L C 2.402 179.244 176.870 -0.046 0.000 1.077 380 L CA 1.942 56.754 54.840 -0.047 0.000 0.747 380 L CB -0.486 41.495 42.059 -0.129 0.000 0.896 380 L HN 0.386 nan 8.230 nan 0.000 0.432 381 W N -0.027 121.320 121.300 0.078 0.000 2.388 381 W HA -0.151 4.512 4.660 0.005 0.000 0.294 381 W C 2.696 179.283 176.519 0.114 0.000 1.212 381 W CA 1.239 58.637 57.345 0.089 0.000 1.271 381 W CB -0.437 29.080 29.460 0.095 0.000 1.126 381 W HN 0.002 nan 8.180 nan 0.000 0.535 382 T N 0.032 114.786 114.554 0.333 0.000 2.746 382 T HA -0.197 4.156 4.350 0.005 0.000 0.267 382 T C 1.957 176.780 174.700 0.205 0.000 1.039 382 T CA 1.730 63.980 62.100 0.249 0.000 1.142 382 T CB -0.715 68.261 68.868 0.179 0.000 0.866 382 T HN 0.182 nan 8.240 nan 0.000 0.444 383 A N 1.339 124.245 122.820 0.144 0.000 1.933 383 A HA 0.149 4.472 4.320 0.005 0.000 0.218 383 A C 2.605 180.304 177.584 0.191 0.000 1.175 383 A CA 1.813 53.919 52.037 0.114 0.000 0.628 383 A CB -0.995 18.017 19.000 0.020 0.000 0.814 383 A HN 0.507 nan 8.150 nan 0.000 0.444 384 A N -0.122 122.808 122.820 0.184 0.000 1.898 384 A HA -0.032 4.291 4.320 0.005 0.000 0.216 384 A C 2.101 179.911 177.584 0.376 0.000 1.181 384 A CA 1.434 53.620 52.037 0.249 0.000 0.620 384 A CB -0.539 18.527 19.000 0.111 0.000 0.819 384 A HN 0.493 nan 8.150 nan 0.000 0.442 385 I N -0.529 120.251 120.570 0.349 0.000 2.252 385 I HA -0.187 3.986 4.170 0.005 0.000 0.245 385 I C 2.300 178.644 176.117 0.379 0.000 1.102 385 I CA 0.993 62.507 61.300 0.356 0.000 1.385 385 I CB -0.253 37.929 38.000 0.305 0.000 1.064 385 I HN 0.146 nan 8.210 nan 0.000 0.414 386 V N 0.589 120.699 119.914 0.326 0.000 2.307 386 V HA -0.282 3.841 4.120 0.005 0.000 0.245 386 V C 2.264 178.593 176.094 0.392 0.000 1.045 386 V CA 1.787 64.272 62.300 0.308 0.000 1.024 386 V CB -0.694 31.274 31.823 0.242 0.000 0.651 386 V HN 0.349 nan 8.190 nan 0.000 0.449 387 F N 0.692 120.813 119.950 0.284 0.000 2.069 387 F HA -0.240 4.289 4.527 0.005 0.000 0.298 387 F C 2.152 178.247 175.800 0.491 0.000 1.113 387 F CA 1.908 60.121 58.000 0.354 0.000 1.214 387 F CB -0.664 38.470 39.000 0.223 0.000 0.978 387 F HN 0.192 nan 8.300 nan 0.000 0.474 388 F N 0.957 121.045 119.950 0.230 0.000 2.046 388 F HA -0.217 4.313 4.527 0.005 0.000 0.297 388 F C 2.544 178.414 175.800 0.116 0.000 1.123 388 F CA 2.251 60.305 58.000 0.090 0.000 1.199 388 F CB -1.093 37.983 39.000 0.127 0.000 0.972 388 F HN -0.041 nan 8.300 nan 0.000 0.474 389 S N 0.575 116.340 115.700 0.108 0.000 2.400 389 S HA -0.185 4.288 4.470 0.005 0.000 0.232 389 S C 2.230 176.750 174.600 -0.133 0.000 1.025 389 S CA 0.956 59.141 58.200 -0.024 0.000 0.993 389 S CB -0.924 62.486 63.200 0.351 0.000 0.808 389 S HN 0.570 nan 8.310 nan 0.000 0.478 390 A N 1.060 123.843 122.820 -0.062 0.000 2.070 390 A HA -0.143 4.180 4.320 0.005 0.000 0.220 390 A C 1.618 178.930 177.584 -0.454 0.000 1.159 390 A CA 1.428 53.326 52.037 -0.232 0.000 0.656 390 A CB -0.765 18.103 19.000 -0.221 0.000 0.800 390 A HN 0.539 nan 8.150 nan 0.000 0.453 391 H N -1.268 117.545 119.070 -0.429 0.000 2.456 391 H HA -0.075 4.484 4.556 0.005 0.000 0.296 391 H C 1.786 177.009 175.328 -0.174 0.000 1.079 391 H CA 1.433 57.320 56.048 -0.268 0.000 1.322 391 H CB -0.117 29.470 29.762 -0.292 0.000 1.388 391 H HN 0.425 nan 8.280 nan 0.000 0.538 392 L N -0.162 120.944 121.223 -0.195 0.000 2.056 392 L HA -0.102 4.241 4.340 0.005 0.000 0.207 392 L C 2.046 178.849 176.870 -0.112 0.000 1.078 392 L CA 1.135 55.881 54.840 -0.157 0.000 0.749 392 L CB -0.436 41.474 42.059 -0.249 0.000 0.901 392 L HN 0.102 nan 8.230 nan 0.000 0.433 393 V N -0.622 119.191 119.914 -0.167 0.000 2.548 393 V HA -0.263 3.860 4.120 0.005 0.000 0.249 393 V C 2.468 178.401 176.094 -0.270 0.000 1.055 393 V CA 1.905 64.120 62.300 -0.142 0.000 1.065 393 V CB -0.425 31.347 31.823 -0.085 0.000 0.681 393 V HN 0.425 nan 8.190 nan 0.000 0.462 394 M N -1.699 117.550 119.600 -0.584 0.000 2.319 394 M HA -0.014 4.469 4.480 0.005 0.000 0.265 394 M C 1.671 177.528 176.300 -0.738 0.000 1.068 394 M CA 1.895 56.676 55.300 -0.866 0.000 1.118 394 M CB -0.098 31.737 32.600 -1.275 0.000 1.395 394 M HN 0.335 nan 8.290 nan 0.000 0.435 395 F N -1.110 118.721 119.950 -0.199 0.000 2.712 395 F HA 0.253 4.783 4.527 0.005 0.000 0.297 395 F C 0.373 176.108 175.800 -0.108 0.000 1.114 395 F CA -0.363 57.558 58.000 -0.133 0.000 1.305 395 F CB 0.472 39.399 39.000 -0.121 0.000 1.086 395 F HN -0.095 nan 8.300 nan 0.000 0.599 396 L N 1.404 122.650 121.223 0.037 0.000 2.262 396 L HA 0.384 4.727 4.340 0.005 0.000 0.288 396 L C -0.122 176.720 176.870 -0.047 0.000 1.035 396 L CA -0.631 54.203 54.840 -0.011 0.000 0.820 396 L CB 0.214 42.264 42.059 -0.015 0.000 1.204 396 L HN -0.075 nan 8.230 nan 0.000 0.424 397 N N 4.301 122.956 118.700 -0.075 0.000 2.412 397 N HA 0.049 4.792 4.740 0.005 0.000 0.258 397 N C 0.249 175.710 175.510 -0.082 0.000 1.236 397 N CA 0.561 53.558 53.050 -0.088 0.000 0.882 397 N CB 0.386 38.797 38.487 -0.128 0.000 1.066 397 N HN 0.446 nan 8.380 nan 0.000 0.465 398 K N 0.133 120.504 120.400 -0.048 0.000 3.553 398 K HA -0.192 4.131 4.320 0.005 0.000 0.303 398 K C 1.158 177.748 176.600 -0.018 0.000 1.327 398 K CA 1.134 57.399 56.287 -0.037 0.000 0.983 398 K CB -2.219 30.243 32.500 -0.062 0.000 1.275 398 K HN 0.505 nan 8.250 nan 0.000 0.453 399 S N 0.439 116.135 115.700 -0.007 0.000 2.368 399 S HA 0.037 4.510 4.470 0.005 0.000 0.224 399 S C 1.779 176.387 174.600 0.013 0.000 1.029 399 S CA 1.286 59.498 58.200 0.020 0.000 0.988 399 S CB -0.029 63.181 63.200 0.016 0.000 0.838 399 S HN 0.432 nan 8.310 nan 0.000 0.462 400 L N 1.260 122.483 121.223 -0.000 0.000 2.012 400 L HA -0.171 4.172 4.340 0.005 0.000 0.210 400 L C 1.912 178.656 176.870 -0.210 0.000 1.073 400 L CA 2.260 57.051 54.840 -0.081 0.000 0.748 400 L CB -0.580 41.511 42.059 0.053 0.000 0.891 400 L HN 0.255 nan 8.230 nan 0.000 0.431 401 D N -0.491 119.855 120.400 -0.091 0.000 2.144 401 D HA -0.221 4.422 4.640 0.005 0.000 0.199 401 D C 2.056 178.326 176.300 -0.050 0.000 0.984 401 D CA 1.198 55.141 54.000 -0.094 0.000 0.834 401 D CB -0.011 40.751 40.800 -0.064 0.000 0.955 401 D HN 0.363 nan 8.370 nan 0.000 0.465 402 E N 0.313 120.521 120.200 0.013 0.000 2.051 402 E HA -0.105 4.248 4.350 0.005 0.000 0.192 402 E C 2.177 178.932 176.600 0.257 0.000 0.991 402 E CA 0.985 57.477 56.400 0.154 0.000 0.799 402 E CB -0.149 29.663 29.700 0.187 0.000 0.748 402 E HN 0.241 nan 8.360 nan 0.000 0.449 403 M N -0.094 119.587 119.600 0.134 0.000 2.117 403 M HA -0.136 4.347 4.480 0.005 0.000 0.262 403 M C 1.963 178.319 176.300 0.094 0.000 1.065 403 M CA 1.886 57.283 55.300 0.162 0.000 1.114 403 M CB -0.345 32.358 32.600 0.171 0.000 1.361 403 M HN 0.080 nan 8.290 nan 0.000 0.408 404 D N 0.112 120.363 120.400 -0.248 0.000 2.178 404 D HA -0.187 4.455 4.640 0.005 0.000 0.201 404 D C 1.634 177.985 176.300 0.084 0.000 0.980 404 D CA 1.075 55.000 54.000 -0.126 0.000 0.842 404 D CB 0.052 40.652 40.800 -0.333 0.000 0.948 404 D HN 0.282 nan 8.370 nan 0.000 0.472 405 F N -0.658 119.220 119.950 -0.120 0.000 2.094 405 F HA 0.028 4.558 4.527 0.005 0.000 0.291 405 F C 1.573 177.206 175.800 -0.278 0.000 1.109 405 F CA 1.215 59.060 58.000 -0.259 0.000 1.221 405 F CB -0.761 37.946 39.000 -0.488 0.000 1.014 405 F HN 0.008 nan 8.300 nan 0.000 0.473 406 W N 0.341 121.565 121.300 -0.127 0.000 2.358 406 W HA -0.067 4.596 4.660 0.006 0.000 0.303 406 W C 2.525 179.015 176.519 -0.049 0.000 1.208 406 W CA 1.721 58.968 57.345 -0.163 0.000 1.274 406 W CB -0.803 28.762 29.460 0.175 0.000 1.138 406 W HN 0.144 nan 8.180 nan 0.000 0.515 407 A N -0.442 122.496 122.820 0.197 0.000 1.909 407 A HA 0.230 4.553 4.320 0.005 0.000 0.209 407 A C 2.127 179.732 177.584 0.036 0.000 1.247 407 A CA 1.151 53.235 52.037 0.078 0.000 0.660 407 A CB -1.289 17.590 19.000 -0.202 0.000 0.910 407 A HN 0.214 nan 8.150 nan 0.000 0.465 408 G N -1.500 107.413 108.800 0.188 0.000 2.650 408 G HA2 0.206 4.169 3.960 0.005 0.000 0.214 408 G HA3 0.206 4.169 3.960 0.005 0.000 0.214 408 G C 1.113 176.157 174.900 0.241 0.000 1.136 408 G CA 1.633 46.944 45.100 0.350 0.000 0.789 408 G HN 0.448 nan 8.290 nan 0.000 0.536 409 T N 0.026 114.567 114.554 -0.021 0.000 3.393 409 T HA 0.113 4.466 4.350 0.005 0.000 0.231 409 T C 1.975 176.435 174.700 -0.400 0.000 0.983 409 T CA 0.213 62.270 62.100 -0.073 0.000 1.272 409 T CB -0.184 68.668 68.868 -0.028 0.000 1.214 409 T HN 0.035 nan 8.240 nan 0.000 0.368 410 I N 2.044 122.068 120.570 -0.910 0.000 2.286 410 I HA 0.119 4.292 4.170 0.005 0.000 0.245 410 I C 2.386 178.203 176.117 -0.500 0.000 1.104 410 I CA 1.495 62.150 61.300 -1.075 0.000 1.397 410 I CB -0.724 36.421 38.000 -1.425 0.000 1.072 410 I HN 0.358 nan 8.210 nan 0.000 0.417 411 G N 0.263 108.879 108.800 -0.308 0.000 2.476 411 G HA2 -0.279 3.684 3.960 0.005 0.000 0.218 411 G HA3 -0.279 3.684 3.960 0.005 0.000 0.218 411 G C 1.731 176.595 174.900 -0.060 0.000 1.164 411 G CA 1.778 46.848 45.100 -0.051 0.000 0.768 411 G HN 0.483 nan 8.290 nan 0.000 0.560 412 V N -0.952 118.818 119.914 -0.240 0.000 2.407 412 V HA -0.131 3.992 4.120 0.005 0.000 0.248 412 V C 2.706 178.502 176.094 -0.497 0.000 1.055 412 V CA 1.799 63.899 62.300 -0.333 0.000 1.049 412 V CB -0.856 30.635 31.823 -0.554 0.000 0.662 412 V HN 0.164 nan 8.190 nan 0.000 0.455 413 V N 0.199 119.720 119.914 -0.654 0.000 2.358 413 V HA -0.176 3.947 4.120 0.005 0.000 0.246 413 V C 2.358 178.295 176.094 -0.262 0.000 1.047 413 V CA 2.491 64.315 62.300 -0.793 0.000 1.035 413 V CB -0.954 30.667 31.823 -0.337 0.000 0.658 413 V HN 0.631 nan 8.190 nan 0.000 0.452 414 F N 0.406 120.202 119.950 -0.256 0.000 2.102 414 F HA -0.218 4.311 4.527 0.005 0.000 0.298 414 F C 2.063 177.827 175.800 -0.060 0.000 1.105 414 F CA 1.752 59.657 58.000 -0.159 0.000 1.239 414 F CB -0.517 38.348 39.000 -0.226 0.000 0.991 414 F HN 0.169 nan 8.300 nan 0.000 0.474 415 F N 1.219 120.983 119.950 -0.310 0.000 2.186 415 F HA 0.079 4.608 4.527 0.005 0.000 0.299 415 F C 2.411 178.133 175.800 -0.130 0.000 1.090 415 F CA 1.401 59.234 58.000 -0.278 0.000 1.307 415 F CB -1.096 37.893 39.000 -0.018 0.000 1.019 415 F HN 0.037 nan 8.300 nan 0.000 0.489 416 G N 0.233 109.049 108.800 0.027 0.000 2.418 416 G HA2 -0.274 3.689 3.960 0.005 0.000 0.217 416 G HA3 -0.274 3.689 3.960 0.005 0.000 0.217 416 G C 1.629 176.500 174.900 -0.049 0.000 1.158 416 G CA 0.962 46.158 45.100 0.161 0.000 0.771 416 G HN 0.404 nan 8.290 nan 0.000 0.545 417 L N 0.895 122.048 121.223 -0.116 0.000 2.056 417 L HA 0.028 4.371 4.340 0.005 0.000 0.207 417 L C 2.876 179.530 176.870 -0.361 0.000 1.078 417 L CA 2.523 57.242 54.840 -0.202 0.000 0.749 417 L CB -0.978 40.985 42.059 -0.160 0.000 0.901 417 L HN 0.172 nan 8.230 nan 0.000 0.433 418 T N 0.332 114.588 114.554 -0.496 0.000 2.652 418 T HA -0.228 4.125 4.350 0.005 0.000 0.267 418 T C 1.597 175.968 174.700 -0.547 0.000 1.039 418 T CA 1.840 63.610 62.100 -0.550 0.000 1.153 418 T CB -0.335 68.131 68.868 -0.670 0.000 0.863 418 T HN 0.707 nan 8.240 nan 0.000 0.428 419 E N 1.207 121.065 120.200 -0.571 0.000 2.153 419 E HA -0.089 4.263 4.350 0.005 0.000 0.194 419 E C 2.338 178.761 176.600 -0.297 0.000 0.988 419 E CA 0.861 56.957 56.400 -0.506 0.000 0.811 419 E CB -0.607 28.884 29.700 -0.348 0.000 0.746 419 E HN 0.427 nan 8.360 nan 0.000 0.466 420 L N 0.816 121.883 121.223 -0.260 0.000 2.027 420 L HA -0.121 4.222 4.340 0.005 0.000 0.206 420 L C 2.503 179.190 176.870 -0.305 0.000 1.074 420 L CA 1.178 55.897 54.840 -0.202 0.000 0.745 420 L CB -0.101 41.795 42.059 -0.271 0.000 0.898 420 L HN 0.157 nan 8.230 nan 0.000 0.433 421 I N -0.154 120.128 120.570 -0.479 0.000 2.179 421 I HA -0.347 3.826 4.170 0.005 0.000 0.242 421 I C 2.388 178.350 176.117 -0.259 0.000 1.088 421 I CA 1.513 62.492 61.300 -0.535 0.000 1.357 421 I CB -0.215 37.506 38.000 -0.465 0.000 1.051 421 I HN 0.261 nan 8.210 nan 0.000 0.409 422 I N -0.327 120.058 120.570 -0.308 0.000 2.286 422 I HA -0.304 3.869 4.170 0.005 0.000 0.248 422 I C 2.415 178.509 176.117 -0.038 0.000 1.115 422 I CA 1.489 62.624 61.300 -0.275 0.000 1.392 422 I CB -0.260 37.433 38.000 -0.511 0.000 1.065 422 I HN 0.188 nan 8.210 nan 0.000 0.418 423 F N 0.369 120.222 119.950 -0.162 0.000 2.179 423 F HA -0.052 4.478 4.527 0.005 0.000 0.292 423 F C 1.976 177.851 175.800 0.125 0.000 1.089 423 F CA 1.264 59.249 58.000 -0.024 0.000 1.295 423 F CB -0.261 38.724 39.000 -0.025 0.000 1.041 423 F HN -0.133 nan 8.300 nan 0.000 0.487 424 F N -1.857 118.048 119.950 -0.075 0.000 2.698 424 F HA 0.017 4.547 4.527 0.005 0.000 0.295 424 F C 1.181 177.050 175.800 0.115 0.000 1.124 424 F CA 0.486 58.419 58.000 -0.112 0.000 1.426 424 F CB -0.068 38.855 39.000 -0.129 0.000 1.120 424 F HN -0.022 nan 8.300 nan 0.000 0.583 425 W N -0.651 120.602 121.300 -0.078 0.000 3.008 425 W HA 0.267 4.930 4.660 0.005 0.000 0.259 425 W C 2.112 178.520 176.519 -0.185 0.000 1.045 425 W CA 0.015 57.275 57.345 -0.141 0.000 1.814 425 W CB -1.054 28.330 29.460 -0.127 0.000 1.089 425 W HN -0.214 nan 8.180 nan 0.000 0.606 426 I N -0.404 120.187 120.570 0.034 0.000 2.162 426 I HA -0.268 3.905 4.170 0.005 0.000 0.238 426 I C 2.392 178.486 176.117 -0.038 0.000 1.076 426 I CA 1.477 62.697 61.300 -0.132 0.000 1.353 426 I CB -0.926 36.810 38.000 -0.440 0.000 1.063 426 I HN -0.199 nan 8.210 nan 0.000 0.408 427 F N 1.934 121.795 119.950 -0.149 0.000 2.126 427 F HA 0.022 4.552 4.527 0.005 0.000 0.299 427 F C 1.071 176.748 175.800 -0.204 0.000 1.096 427 F CA 1.307 59.223 58.000 -0.141 0.000 1.255 427 F CB -0.340 38.565 39.000 -0.159 0.000 0.997 427 F HN 0.139 nan 8.300 nan 0.000 0.479 428 G N -1.147 107.485 108.800 -0.280 0.000 3.162 428 G HA2 0.318 4.281 3.960 0.005 0.000 0.599 428 G HA3 0.318 4.281 3.960 0.005 0.000 0.599 428 G C 0.352 174.942 174.900 -0.516 0.000 1.335 428 G CA -0.400 44.459 45.100 -0.402 0.000 1.091 428 G HN 0.625 nan 8.290 nan 0.000 0.570 429 A N 1.596 124.138 122.820 -0.462 0.000 1.917 429 A HA -0.051 4.272 4.320 0.005 0.000 0.219 429 A C 2.001 179.264 177.584 -0.535 0.000 1.182 429 A CA 2.546 54.128 52.037 -0.760 0.000 0.633 429 A CB -0.216 18.559 19.000 -0.374 0.000 0.819 429 A HN 0.672 nan 8.150 nan 0.000 0.448 430 D N -0.904 119.346 120.400 -0.250 0.000 2.194 430 D HA -0.055 4.588 4.640 0.005 0.000 0.204 430 D C 1.898 178.101 176.300 -0.161 0.000 0.964 430 D CA 1.078 55.011 54.000 -0.113 0.000 0.846 430 D CB -0.150 40.584 40.800 -0.109 0.000 0.962 430 D HN 0.471 nan 8.370 nan 0.000 0.490 431 K N 0.741 120.940 120.400 -0.335 0.000 2.097 431 K HA -0.014 4.309 4.320 0.005 0.000 0.205 431 K C 2.092 178.541 176.600 -0.253 0.000 1.050 431 K CA 0.932 56.997 56.287 -0.370 0.000 0.938 431 K CB 0.069 32.072 32.500 -0.828 0.000 0.718 431 K HN -0.028 nan 8.250 nan 0.000 0.442 432 A N 1.110 123.640 122.820 -0.483 0.000 1.855 432 A HA -0.204 4.119 4.320 0.005 0.000 0.215 432 A C 1.950 179.423 177.584 -0.185 0.000 1.191 432 A CA 1.194 52.798 52.037 -0.721 0.000 0.613 432 A CB -1.045 17.018 19.000 -1.561 0.000 0.829 432 A HN 0.635 nan 8.150 nan 0.000 0.442 433 W N 1.079 122.182 121.300 -0.328 0.000 2.338 433 W HA -0.249 4.413 4.660 0.005 0.000 0.304 433 W C 1.956 178.478 176.519 0.006 0.000 1.212 433 W CA 2.308 59.660 57.345 0.012 0.000 1.264 433 W CB -0.146 29.389 29.460 0.125 0.000 1.142 433 W HN 0.616 nan 8.180 nan 0.000 0.512 434 E N 0.772 121.006 120.200 0.056 0.000 2.077 434 E HA -0.312 4.041 4.350 0.005 0.000 0.193 434 E C 1.943 178.528 176.600 -0.024 0.000 0.989 434 E CA 2.025 58.416 56.400 -0.015 0.000 0.800 434 E CB -0.512 29.198 29.700 0.018 0.000 0.746 434 E HN 0.065 nan 8.360 nan 0.000 0.452 435 E N 0.507 120.741 120.200 0.056 0.000 2.110 435 E HA -0.135 4.218 4.350 0.005 0.000 0.193 435 E C 1.883 178.548 176.600 0.109 0.000 0.988 435 E CA 1.496 57.985 56.400 0.148 0.000 0.804 435 E CB -0.246 29.623 29.700 0.282 0.000 0.745 435 E HN 0.507 nan 8.360 nan 0.000 0.458 436 I N 0.584 121.190 120.570 0.059 0.000 2.202 436 I HA -0.234 3.939 4.170 0.005 0.000 0.242 436 I C 1.907 177.878 176.117 -0.244 0.000 1.091 436 I CA 1.034 62.303 61.300 -0.051 0.000 1.368 436 I CB -0.331 37.602 38.000 -0.112 0.000 1.058 436 I HN 0.122 nan 8.210 nan 0.000 0.410 437 N N 0.900 119.373 118.700 -0.378 0.000 2.457 437 N HA -0.072 4.671 4.740 0.005 0.000 0.180 437 N C 0.908 176.297 175.510 -0.203 0.000 1.050 437 N CA 0.176 52.992 53.050 -0.390 0.000 0.906 437 N CB -0.091 38.081 38.487 -0.525 0.000 0.968 437 N HN 0.274 nan 8.380 nan 0.000 0.445 438 R N 0.691 121.122 120.500 -0.114 0.000 2.480 438 R HA 0.038 4.381 4.340 0.005 0.000 0.303 438 R C 0.898 177.178 176.300 -0.034 0.000 0.985 438 R CA 1.021 57.094 56.100 -0.045 0.000 1.051 438 R CB -0.151 30.159 30.300 0.015 0.000 0.935 438 R HN 0.302 nan 8.270 nan 0.000 0.410 439 G N 2.600 111.379 108.800 -0.034 0.000 2.184 439 G HA2 -0.272 3.691 3.960 0.005 0.000 0.264 439 G HA3 -0.272 3.691 3.960 0.005 0.000 0.264 439 G C 0.404 175.277 174.900 -0.045 0.000 0.975 439 G CA -0.008 45.079 45.100 -0.023 0.000 0.642 439 G HN 0.959 nan 8.290 nan 0.000 0.536 440 G N -0.383 108.365 108.800 -0.087 0.000 2.380 440 G HA2 0.449 4.412 3.960 0.005 0.000 0.242 440 G HA3 0.449 4.412 3.960 0.005 0.000 0.242 440 G C 1.199 176.047 174.900 -0.087 0.000 1.298 440 G CA 0.021 45.051 45.100 -0.116 0.000 0.878 440 G HN 0.455 nan 8.290 nan 0.000 0.542 441 I N 1.494 122.019 120.570 -0.075 0.000 2.493 441 I HA 0.028 4.200 4.170 0.005 0.000 0.254 441 I C 1.104 177.186 176.117 -0.058 0.000 1.160 441 I CA 0.996 62.265 61.300 -0.052 0.000 1.445 441 I CB -0.324 37.652 38.000 -0.040 0.000 1.086 441 I HN 0.507 nan 8.210 nan 0.000 0.433 442 I N -3.279 117.240 120.570 -0.085 0.000 2.969 442 I HA 0.456 4.629 4.170 0.005 0.000 0.307 442 I C -0.734 175.291 176.117 -0.154 0.000 1.149 442 I CA -1.034 60.214 61.300 -0.086 0.000 1.008 442 I CB 2.030 39.995 38.000 -0.057 0.000 1.232 442 I HN -0.250 nan 8.210 nan 0.000 0.435 443 K N 2.336 122.652 120.400 -0.141 0.000 2.098 443 K HA 0.557 4.880 4.320 0.005 0.000 0.261 443 K C -0.842 175.596 176.600 -0.269 0.000 0.987 443 K CA -0.837 55.323 56.287 -0.211 0.000 0.916 443 K CB 2.397 34.833 32.500 -0.107 0.000 1.039 443 K HN 0.447 nan 8.250 nan 0.000 0.455 444 V N 4.035 123.665 119.914 -0.474 0.000 2.572 444 V HA 0.061 4.184 4.120 0.005 0.000 0.291 444 V C -2.097 174.021 176.094 0.039 0.000 1.039 444 V CA -1.508 60.477 62.300 -0.526 0.000 1.055 444 V CB 0.578 31.829 31.823 -0.953 0.000 0.969 444 V HN 0.654 nan 8.190 nan 0.000 0.482 445 P HA 0.037 nan 4.420 nan 0.000 0.262 445 P C 0.774 178.338 177.300 0.440 0.000 1.182 445 P CA 0.186 63.472 63.100 0.310 0.000 0.761 445 P CB 0.391 32.300 31.700 0.349 0.000 0.795 446 R N 3.901 124.601 120.500 0.334 0.000 2.119 446 R HA -0.215 4.128 4.340 0.005 0.000 0.246 446 R C 1.847 178.280 176.300 0.221 0.000 1.146 446 R CA 1.561 57.822 56.100 0.269 0.000 0.962 446 R CB -0.809 29.591 30.300 0.166 0.000 0.863 446 R HN 0.393 nan 8.270 nan 0.000 0.442 447 I N 0.120 120.811 120.570 0.201 0.000 2.335 447 I HA -0.282 3.891 4.170 0.005 0.000 0.251 447 I C 1.235 177.461 176.117 0.181 0.000 1.129 447 I CA 1.537 62.944 61.300 0.179 0.000 1.402 447 I CB -0.256 37.738 38.000 -0.010 0.000 1.069 447 I HN 0.284 nan 8.210 nan 0.000 0.424 448 Y N -1.460 118.987 120.300 0.246 0.000 2.483 448 Y HA -0.301 4.252 4.550 0.005 0.000 0.291 448 Y C 2.266 178.243 175.900 0.129 0.000 1.143 448 Y CA 1.430 59.675 58.100 0.242 0.000 1.289 448 Y CB -0.424 38.267 38.460 0.385 0.000 0.983 448 Y HN 0.365 nan 8.280 nan 0.000 0.556 449 Y N -0.866 119.348 120.300 -0.144 0.000 2.200 449 Y HA -0.320 4.233 4.550 0.005 0.000 0.290 449 Y C 1.530 177.203 175.900 -0.378 0.000 1.137 449 Y CA 1.512 59.249 58.100 -0.605 0.000 1.163 449 Y CB -0.666 36.932 38.460 -1.437 0.000 0.988 449 Y HN 0.100 nan 8.280 nan 0.000 0.518 450 Y N -1.192 119.154 120.300 0.078 0.000 2.314 450 Y HA -0.130 4.423 4.550 0.005 0.000 0.293 450 Y C 2.466 178.421 175.900 0.092 0.000 1.129 450 Y CA 1.260 59.454 58.100 0.157 0.000 1.201 450 Y CB -0.735 37.855 38.460 0.216 0.000 0.999 450 Y HN -0.024 nan 8.280 nan 0.000 0.541 451 V N -0.008 120.005 119.914 0.165 0.000 2.270 451 V HA -0.341 3.782 4.120 0.005 0.000 0.245 451 V C 2.196 178.278 176.094 -0.019 0.000 1.043 451 V CA 2.063 64.431 62.300 0.112 0.000 1.014 451 V CB -0.633 31.296 31.823 0.177 0.000 0.645 451 V HN 0.405 nan 8.190 nan 0.000 0.447 452 M N -0.616 118.881 119.600 -0.171 0.000 2.117 452 M HA -0.192 4.291 4.480 0.005 0.000 0.262 452 M C 2.438 178.380 176.300 -0.595 0.000 1.065 452 M CA 1.892 56.881 55.300 -0.518 0.000 1.114 452 M CB -0.479 31.505 32.600 -1.027 0.000 1.361 452 M HN 0.164 nan 8.290 nan 0.000 0.408 453 R N -0.708 119.467 120.500 -0.542 0.000 2.119 453 R HA -0.097 4.246 4.340 0.005 0.000 0.222 453 R C 1.189 177.304 176.300 -0.309 0.000 1.088 453 R CA 1.395 57.263 56.100 -0.387 0.000 0.984 453 R CB 0.265 30.101 30.300 -0.773 0.000 0.884 453 R HN 0.359 nan 8.270 nan 0.000 0.447 454 Y N -1.472 118.915 120.300 0.145 0.000 2.736 454 Y HA 0.165 4.718 4.550 0.005 0.000 0.272 454 Y C 1.921 177.910 175.900 0.148 0.000 1.118 454 Y CA -0.419 57.799 58.100 0.198 0.000 1.248 454 Y CB -0.003 38.549 38.460 0.154 0.000 1.437 454 Y HN -0.153 nan 8.280 nan 0.000 0.481 455 I N 0.388 121.109 120.570 0.253 0.000 2.090 455 I HA -0.233 3.940 4.170 0.005 0.000 0.236 455 I C 2.051 178.250 176.117 0.138 0.000 1.064 455 I CA 1.884 63.282 61.300 0.164 0.000 1.324 455 I CB -1.668 36.389 38.000 0.095 0.000 1.044 455 I HN 0.215 nan 8.210 nan 0.000 0.399 456 T N 2.841 117.431 114.554 0.060 0.000 2.624 456 T HA -0.115 4.238 4.350 0.005 0.000 0.268 456 T C -0.311 174.451 174.700 0.104 0.000 1.041 456 T CA 2.257 64.389 62.100 0.055 0.000 1.159 456 T CB -1.624 67.214 68.868 -0.050 0.000 0.863 456 T HN 0.334 nan 8.240 nan 0.000 0.434 457 P HA 0.000 nan 4.420 nan 0.000 0.218 457 P C 1.380 178.731 177.300 0.084 0.000 1.149 457 P CA 1.440 64.505 63.100 -0.058 0.000 0.817 457 P CB -0.149 31.363 31.700 -0.314 0.000 0.785 458 A N -0.649 122.276 122.820 0.175 0.000 1.929 458 A HA -0.137 4.186 4.320 0.005 0.000 0.216 458 A C 2.129 179.821 177.584 0.179 0.000 1.176 458 A CA 0.947 53.097 52.037 0.188 0.000 0.628 458 A CB -1.742 17.382 19.000 0.207 0.000 0.816 458 A HN 0.093 nan 8.150 nan 0.000 0.444 459 F N 0.855 120.837 119.950 0.052 0.000 2.069 459 F HA -0.167 4.362 4.527 0.004 0.000 0.298 459 F C 1.967 177.809 175.800 0.070 0.000 1.113 459 F CA 1.885 59.909 58.000 0.040 0.000 1.214 459 F CB -0.341 38.689 39.000 0.050 0.000 0.978 459 F HN 0.137 nan 8.300 nan 0.000 0.474 460 L N -0.303 121.037 121.223 0.195 0.000 2.046 460 L HA -0.183 4.160 4.340 0.005 0.000 0.208 460 L C 2.778 179.683 176.870 0.057 0.000 1.077 460 L CA 1.112 56.024 54.840 0.119 0.000 0.747 460 L CB -1.349 40.824 42.059 0.190 0.000 0.896 460 L HN 0.248 nan 8.230 nan 0.000 0.432 461 A N -0.037 122.820 122.820 0.063 0.000 1.908 461 A HA -0.155 4.168 4.320 0.005 0.000 0.218 461 A C 2.342 179.957 177.584 0.052 0.000 1.181 461 A CA 1.907 53.985 52.037 0.068 0.000 0.627 461 A CB -0.833 18.219 19.000 0.086 0.000 0.818 461 A HN 0.199 nan 8.150 nan 0.000 0.445 462 V N -0.441 119.477 119.914 0.006 0.000 2.295 462 V HA -0.235 3.888 4.120 0.005 0.000 0.246 462 V C 2.471 178.542 176.094 -0.038 0.000 1.049 462 V CA 1.906 64.189 62.300 -0.027 0.000 1.024 462 V CB -0.877 30.894 31.823 -0.086 0.000 0.648 462 V HN 0.550 nan 8.190 nan 0.000 0.447 463 L N -0.350 120.808 121.223 -0.108 0.000 1.990 463 L HA -0.196 4.146 4.340 0.005 0.000 0.213 463 L C 2.283 179.238 176.870 0.141 0.000 1.072 463 L CA 1.983 56.782 54.840 -0.070 0.000 0.755 463 L CB -0.509 41.470 42.059 -0.132 0.000 0.889 463 L HN 0.201 nan 8.230 nan 0.000 0.432 464 L N -1.734 119.605 121.223 0.194 0.000 2.079 464 L HA -0.243 4.100 4.340 0.005 0.000 0.210 464 L C 2.350 179.366 176.870 0.243 0.000 1.081 464 L CA 1.009 56.014 54.840 0.276 0.000 0.752 464 L CB -0.594 41.578 42.059 0.189 0.000 0.896 464 L HN 0.168 nan 8.230 nan 0.000 0.433 465 V N -1.018 118.994 119.914 0.163 0.000 2.427 465 V HA -0.196 3.927 4.120 0.005 0.000 0.248 465 V C 2.340 178.529 176.094 0.159 0.000 1.051 465 V CA 1.215 63.598 62.300 0.139 0.000 1.048 465 V CB -0.036 31.843 31.823 0.092 0.000 0.666 465 V HN 0.206 nan 8.190 nan 0.000 0.456 466 V N -1.520 118.489 119.914 0.160 0.000 2.548 466 V HA -0.192 3.931 4.120 0.005 0.000 0.249 466 V C 2.124 178.413 176.094 0.325 0.000 1.055 466 V CA 1.540 63.940 62.300 0.167 0.000 1.065 466 V CB -0.589 31.302 31.823 0.114 0.000 0.681 466 V HN 0.665 nan 8.190 nan 0.000 0.462 467 W N 1.023 122.442 121.300 0.199 0.000 2.378 467 W HA -0.116 4.548 4.660 0.006 0.000 0.313 467 W C 2.591 179.247 176.519 0.229 0.000 1.197 467 W CA 1.910 59.418 57.345 0.272 0.000 1.304 467 W CB -0.755 28.790 29.460 0.142 0.000 1.148 467 W HN 0.270 nan 8.180 nan 0.000 0.494 468 A N 0.118 123.173 122.820 0.392 0.000 2.067 468 A HA -0.135 4.188 4.320 0.005 0.000 0.219 468 A C 2.088 179.783 177.584 0.185 0.000 1.158 468 A CA 1.417 53.595 52.037 0.234 0.000 0.661 468 A CB -0.465 18.632 19.000 0.161 0.000 0.801 468 A HN 0.334 nan 8.150 nan 0.000 0.452 469 R N -1.498 119.102 120.500 0.166 0.000 2.128 469 R HA 0.101 4.444 4.340 0.005 0.000 0.211 469 R C 0.916 177.224 176.300 0.013 0.000 1.067 469 R CA 1.044 57.194 56.100 0.084 0.000 1.010 469 R CB 0.090 30.427 30.300 0.062 0.000 0.922 469 R HN 0.374 nan 8.270 nan 0.000 0.457 470 E N -1.328 118.836 120.200 -0.059 0.000 2.624 470 E HA 0.129 4.482 4.350 0.005 0.000 0.210 470 E C -0.450 175.783 176.600 -0.611 0.000 0.997 470 E CA 0.067 56.261 56.400 -0.344 0.000 0.999 470 E CB 0.711 30.100 29.700 -0.518 0.000 1.040 470 E HN 0.239 nan 8.360 nan 0.000 0.469 471 Y N -2.130 118.259 120.300 0.148 0.000 2.856 471 Y HA 0.254 4.807 4.550 0.004 0.000 0.252 471 Y C 1.391 177.364 175.900 0.122 0.000 1.145 471 Y CA -0.387 57.807 58.100 0.158 0.000 1.204 471 Y CB 0.143 38.771 38.460 0.281 0.000 1.403 471 Y HN -0.056 nan 8.280 nan 0.000 0.462 472 I N 1.551 122.316 120.570 0.325 0.000 2.567 472 I HA -0.154 4.019 4.170 0.005 0.000 0.257 472 I C -1.175 175.015 176.117 0.122 0.000 1.184 472 I CA 0.938 62.345 61.300 0.179 0.000 1.451 472 I CB -1.031 37.093 38.000 0.208 0.000 1.089 472 I HN 0.171 nan 8.210 nan 0.000 0.441 473 P HA -0.108 nan 4.420 nan 0.000 0.220 473 P C 1.585 178.926 177.300 0.068 0.000 1.152 473 P CA 1.148 64.303 63.100 0.092 0.000 0.812 473 P CB 0.037 31.779 31.700 0.070 0.000 0.792 474 K N -0.422 120.007 120.400 0.049 0.000 2.097 474 K HA -0.030 4.293 4.320 0.005 0.000 0.205 474 K C 1.883 178.481 176.600 -0.004 0.000 1.050 474 K CA 1.048 57.353 56.287 0.029 0.000 0.938 474 K CB -0.413 32.108 32.500 0.034 0.000 0.718 474 K HN 0.141 nan 8.250 nan 0.000 0.442 475 I N 0.506 121.043 120.570 -0.056 0.000 2.546 475 I HA -0.202 3.971 4.170 0.005 0.000 0.255 475 I C 2.031 178.123 176.117 -0.042 0.000 1.163 475 I CA 0.640 61.848 61.300 -0.153 0.000 1.457 475 I CB 0.028 37.758 38.000 -0.450 0.000 1.092 475 I HN 0.178 nan 8.210 nan 0.000 0.434 476 M N -0.683 118.947 119.600 0.049 0.000 2.476 476 M HA 0.005 4.488 4.480 0.005 0.000 0.262 476 M C 1.712 178.099 176.300 0.144 0.000 1.111 476 M CA 1.251 56.627 55.300 0.125 0.000 1.127 476 M CB -0.366 32.348 32.600 0.190 0.000 1.376 476 M HN 0.194 nan 8.290 nan 0.000 0.465 477 E N -0.267 119.995 120.200 0.104 0.000 2.434 477 E HA 0.023 4.376 4.350 0.005 0.000 0.207 477 E C 0.638 177.291 176.600 0.089 0.000 0.929 477 E CA 0.262 56.727 56.400 0.109 0.000 1.001 477 E CB 0.826 30.579 29.700 0.089 0.000 1.016 477 E HN 0.333 nan 8.360 nan 0.000 0.502 478 E N 1.190 121.426 120.200 0.060 0.000 2.499 478 E HA 0.063 4.416 4.350 0.005 0.000 0.199 478 E C 0.297 176.926 176.600 0.048 0.000 1.016 478 E CA 0.114 56.544 56.400 0.051 0.000 0.933 478 E CB 0.905 30.624 29.700 0.033 0.000 1.050 478 E HN 0.147 nan 8.360 nan 0.000 0.462 479 T N -2.094 112.491 114.554 0.051 0.000 2.944 479 T HA 0.325 4.678 4.350 0.005 0.000 0.284 479 T C 0.148 174.913 174.700 0.108 0.000 1.010 479 T CA -0.782 61.347 62.100 0.049 0.000 1.025 479 T CB 1.739 70.602 68.868 -0.009 0.000 1.079 479 T HN 0.043 nan 8.240 nan 0.000 0.516 480 H N 1.051 120.123 119.070 0.003 0.000 2.852 480 H HA 0.095 4.654 4.556 0.005 0.000 0.362 480 H C 1.381 176.743 175.328 0.056 0.000 1.122 480 H CA 0.239 56.289 56.048 0.003 0.000 1.419 480 H CB 0.415 30.102 29.762 -0.125 0.000 1.401 480 H HN 0.821 nan 8.280 nan 0.000 0.609 481 W N 3.082 124.172 121.300 -0.349 0.000 2.350 481 W HA -0.203 4.460 4.660 0.005 0.000 0.289 481 W C 1.187 177.797 176.519 0.152 0.000 1.215 481 W CA 1.337 58.665 57.345 -0.027 0.000 1.236 481 W CB -1.481 27.909 29.460 -0.116 0.000 1.130 481 W HN 0.649 nan 8.180 nan 0.000 0.541 482 T N 0.590 114.798 114.554 -0.577 0.000 2.996 482 T HA -0.201 4.152 4.350 0.005 0.000 0.271 482 T C 1.900 176.571 174.700 -0.049 0.000 1.126 482 T CA 1.886 63.701 62.100 -0.475 0.000 1.103 482 T CB -1.142 67.398 68.868 -0.547 0.000 0.870 482 T HN 0.234 nan 8.240 nan 0.000 0.528 483 V N -2.790 117.118 119.914 -0.010 0.000 2.594 483 V HA -0.027 4.096 4.120 0.005 0.000 0.253 483 V C 2.158 178.222 176.094 -0.049 0.000 1.069 483 V CA 0.719 62.990 62.300 -0.048 0.000 1.082 483 V CB -1.475 30.267 31.823 -0.135 0.000 0.680 483 V HN 0.626 nan 8.190 nan 0.000 0.469 484 W N 0.206 121.613 121.300 0.177 0.000 2.465 484 W HA 0.178 4.841 4.660 0.005 0.000 0.268 484 W C 2.293 178.956 176.519 0.239 0.000 1.242 484 W CA 0.833 58.299 57.345 0.202 0.000 1.248 484 W CB -0.265 29.317 29.460 0.202 0.000 1.118 484 W HN 0.209 nan 8.180 nan 0.000 0.587 485 I N -0.478 120.331 120.570 0.398 0.000 2.179 485 I HA -0.295 3.878 4.170 0.005 0.000 0.242 485 I C 2.246 178.591 176.117 0.379 0.000 1.088 485 I CA 1.478 62.993 61.300 0.358 0.000 1.357 485 I CB -0.965 37.168 38.000 0.222 0.000 1.051 485 I HN -0.140 nan 8.210 nan 0.000 0.409 486 T N 0.413 115.125 114.554 0.264 0.000 2.737 486 T HA -0.108 4.245 4.350 0.005 0.000 0.265 486 T C 2.022 176.894 174.700 0.287 0.000 1.038 486 T CA 1.102 63.360 62.100 0.263 0.000 1.144 486 T CB -0.209 68.769 68.868 0.183 0.000 0.866 486 T HN 0.269 nan 8.240 nan 0.000 0.434 487 R N 0.198 120.821 120.500 0.205 0.000 2.083 487 R HA -0.082 4.260 4.340 0.005 0.000 0.237 487 R C 2.215 178.662 176.300 0.246 0.000 1.137 487 R CA 1.619 57.782 56.100 0.105 0.000 0.951 487 R CB -0.628 29.614 30.300 -0.097 0.000 0.851 487 R HN 0.364 nan 8.270 nan 0.000 0.434 488 F N 0.547 120.647 119.950 0.251 0.000 2.069 488 F HA -0.289 4.240 4.527 0.005 0.000 0.298 488 F C 2.223 178.157 175.800 0.224 0.000 1.113 488 F CA 1.470 59.613 58.000 0.239 0.000 1.214 488 F CB -0.645 38.515 39.000 0.266 0.000 0.978 488 F HN -0.022 nan 8.300 nan 0.000 0.474 489 Y N 1.559 121.935 120.300 0.128 0.000 2.181 489 Y HA -0.202 4.351 4.550 0.005 0.000 0.288 489 Y C 2.294 178.228 175.900 0.055 0.000 1.146 489 Y CA 2.301 60.405 58.100 0.007 0.000 1.164 489 Y CB -0.674 37.877 38.460 0.152 0.000 0.982 489 Y HN 0.299 nan 8.280 nan 0.000 0.515 490 I N -2.438 118.219 120.570 0.144 0.000 2.676 490 I HA -0.125 4.048 4.170 0.005 0.000 0.259 490 I C 1.952 178.256 176.117 0.311 0.000 1.194 490 I CA 1.237 62.685 61.300 0.247 0.000 1.473 490 I CB -0.595 37.652 38.000 0.412 0.000 1.096 490 I HN 0.155 nan 8.210 nan 0.000 0.443 491 I N 2.299 122.911 120.570 0.070 0.000 2.315 491 I HA -0.110 4.063 4.170 0.005 0.000 0.248 491 I C 2.753 178.819 176.117 -0.085 0.000 1.117 491 I CA 1.435 62.703 61.300 -0.054 0.000 1.404 491 I CB -0.674 37.271 38.000 -0.092 0.000 1.071 491 I HN 0.360 nan 8.210 nan 0.000 0.419 492 G N 1.075 109.730 108.800 -0.242 0.000 2.418 492 G HA2 -0.180 3.783 3.960 0.005 0.000 0.217 492 G HA3 -0.180 3.783 3.960 0.005 0.000 0.217 492 G C 1.705 176.530 174.900 -0.125 0.000 1.158 492 G CA 0.366 45.297 45.100 -0.282 0.000 0.771 492 G HN 0.250 nan 8.290 nan 0.000 0.545 493 L N -0.835 120.314 121.223 -0.124 0.000 2.079 493 L HA -0.032 4.311 4.340 0.005 0.000 0.210 493 L C 2.549 179.558 176.870 0.232 0.000 1.081 493 L CA 0.986 55.875 54.840 0.082 0.000 0.752 493 L CB -0.386 41.737 42.059 0.106 0.000 0.896 493 L HN 0.252 nan 8.230 nan 0.000 0.433 494 F N 0.179 120.152 119.950 0.038 0.000 2.146 494 F HA -0.228 4.302 4.527 0.005 0.000 0.298 494 F C 2.229 177.906 175.800 -0.204 0.000 1.096 494 F CA 1.257 59.102 58.000 -0.258 0.000 1.275 494 F CB 0.002 38.558 39.000 -0.740 0.000 1.008 494 F HN -0.130 nan 8.300 nan 0.000 0.480 495 L N -0.743 120.515 121.223 0.057 0.000 2.046 495 L HA -0.221 4.122 4.340 0.005 0.000 0.208 495 L C 2.268 179.138 176.870 0.000 0.000 1.077 495 L CA 1.678 56.528 54.840 0.017 0.000 0.747 495 L CB -0.908 41.154 42.059 0.003 0.000 0.896 495 L HN 0.284 nan 8.230 nan 0.000 0.432 496 F N -0.448 119.448 119.950 -0.090 0.000 2.134 496 F HA -0.210 4.320 4.527 0.005 0.000 0.299 496 F C 2.033 177.808 175.800 -0.041 0.000 1.097 496 F CA 1.607 59.585 58.000 -0.037 0.000 1.264 496 F CB -0.387 38.584 39.000 -0.049 0.000 1.001 496 F HN -0.052 nan 8.300 nan 0.000 0.479 497 L N -0.432 120.526 121.223 -0.442 0.000 2.093 497 L HA -0.199 4.144 4.340 0.005 0.000 0.208 497 L C 2.322 178.837 176.870 -0.593 0.000 1.085 497 L CA 1.684 56.133 54.840 -0.652 0.000 0.755 497 L CB -1.130 40.611 42.059 -0.530 0.000 0.904 497 L HN 0.144 nan 8.230 nan 0.000 0.435 498 T N -0.350 113.903 114.554 -0.502 0.000 2.821 498 T HA -0.199 4.154 4.350 0.005 0.000 0.267 498 T C 1.600 176.213 174.700 -0.145 0.000 1.046 498 T CA 1.208 63.095 62.100 -0.356 0.000 1.139 498 T CB -0.313 68.393 68.868 -0.270 0.000 0.871 498 T HN 0.201 nan 8.240 nan 0.000 0.454 499 F N 1.812 121.609 119.950 -0.255 0.000 2.171 499 F HA 0.028 4.558 4.527 0.005 0.000 0.300 499 F C 1.860 177.602 175.800 -0.097 0.000 1.090 499 F CA 0.871 58.785 58.000 -0.145 0.000 1.293 499 F CB -0.513 38.407 39.000 -0.134 0.000 1.013 499 F HN 0.062 nan 8.300 nan 0.000 0.486 500 L N -0.886 120.120 121.223 -0.362 0.000 2.093 500 L HA -0.193 4.150 4.340 0.005 0.000 0.208 500 L C 2.338 179.155 176.870 -0.089 0.000 1.085 500 L CA 0.909 55.557 54.840 -0.320 0.000 0.755 500 L CB -0.859 40.993 42.059 -0.345 0.000 0.904 500 L HN 0.003 nan 8.230 nan 0.000 0.435 501 V N -0.420 119.421 119.914 -0.122 0.000 2.515 501 V HA -0.293 3.830 4.120 0.005 0.000 0.250 501 V C 2.200 178.248 176.094 -0.077 0.000 1.058 501 V CA 1.670 63.955 62.300 -0.025 0.000 1.064 501 V CB -0.566 31.162 31.823 -0.158 0.000 0.675 501 V HN 0.363 nan 8.190 nan 0.000 0.461 502 F N 0.425 120.230 119.950 -0.242 0.000 2.146 502 F HA -0.132 4.398 4.527 0.005 0.000 0.298 502 F C 1.985 177.613 175.800 -0.286 0.000 1.096 502 F CA 1.637 59.495 58.000 -0.237 0.000 1.275 502 F CB -0.151 38.718 39.000 -0.219 0.000 1.008 502 F HN 0.032 nan 8.300 nan 0.000 0.480 503 L N -0.011 120.992 121.223 -0.366 0.000 2.093 503 L HA -0.137 4.206 4.340 0.005 0.000 0.208 503 L C 2.800 179.461 176.870 -0.348 0.000 1.085 503 L CA 0.994 55.578 54.840 -0.426 0.000 0.755 503 L CB -1.181 40.621 42.059 -0.429 0.000 0.904 503 L HN 0.269 nan 8.230 nan 0.000 0.435 504 A N -0.071 122.592 122.820 -0.261 0.000 1.930 504 A HA -0.200 4.123 4.320 0.005 0.000 0.217 504 A C 2.158 179.597 177.584 -0.241 0.000 1.175 504 A CA 1.416 53.314 52.037 -0.231 0.000 0.627 504 A CB -0.342 18.552 19.000 -0.177 0.000 0.815 504 A HN 0.422 nan 8.150 nan 0.000 0.443 505 E N -0.549 119.474 120.200 -0.296 0.000 2.038 505 E HA -0.199 4.154 4.350 0.005 0.000 0.195 505 E C 2.260 178.679 176.600 -0.301 0.000 1.000 505 E CA 1.064 57.277 56.400 -0.311 0.000 0.803 505 E CB -0.169 29.296 29.700 -0.392 0.000 0.750 505 E HN 0.319 nan 8.360 nan 0.000 0.448 506 R N 0.567 120.819 120.500 -0.413 0.000 2.115 506 R HA -0.070 4.273 4.340 0.005 0.000 0.230 506 R C 2.193 178.400 176.300 -0.155 0.000 1.111 506 R CA 0.814 56.731 56.100 -0.304 0.000 0.976 506 R CB -0.558 29.495 30.300 -0.411 0.000 0.870 506 R HN 0.174 nan 8.270 nan 0.000 0.445 507 R N 0.734 121.117 120.500 -0.194 0.000 2.075 507 R HA -0.032 4.311 4.340 0.005 0.000 0.232 507 R C 2.333 178.595 176.300 -0.063 0.000 1.126 507 R CA 1.130 57.147 56.100 -0.139 0.000 0.963 507 R CB -0.104 30.092 30.300 -0.173 0.000 0.858 507 R HN 0.051 nan 8.270 nan 0.000 0.435 508 R N 0.491 120.936 120.500 -0.092 0.000 2.081 508 R HA -0.118 4.225 4.340 0.005 0.000 0.235 508 R C 1.551 177.831 176.300 -0.033 0.000 1.131 508 R CA 2.106 58.170 56.100 -0.059 0.000 0.960 508 R CB -0.272 29.983 30.300 -0.076 0.000 0.856 508 R HN 0.443 nan 8.270 nan 0.000 0.436 509 N N -0.932 117.742 118.700 -0.043 0.000 2.142 509 N HA -0.159 4.584 4.740 0.005 0.000 0.186 509 N C 1.846 177.347 175.510 -0.014 0.000 1.023 509 N CA 0.674 53.703 53.050 -0.035 0.000 0.852 509 N CB -0.186 38.268 38.487 -0.055 0.000 0.998 509 N HN 0.313 nan 8.380 nan 0.000 0.424 510 H N 0.953 119.974 119.070 -0.082 0.000 2.353 510 H HA -0.090 4.469 4.556 0.005 0.000 0.300 510 H C 1.982 177.279 175.328 -0.052 0.000 1.090 510 H CA 1.214 57.222 56.048 -0.065 0.000 1.327 510 H CB 0.260 29.978 29.762 -0.073 0.000 1.383 510 H HN 0.371 nan 8.280 nan 0.000 0.508 511 E N 0.085 120.328 120.200 0.071 0.000 2.152 511 E HA -0.093 4.260 4.350 0.005 0.000 0.192 511 E C 2.162 178.760 176.600 -0.004 0.000 0.983 511 E CA 0.498 56.911 56.400 0.021 0.000 0.818 511 E CB 0.221 29.921 29.700 0.001 0.000 0.758 511 E HN 0.167 nan 8.360 nan 0.000 0.467 512 S N 0.114 115.808 115.700 -0.012 0.000 2.357 512 S HA -0.012 4.461 4.470 0.005 0.000 0.221 512 S C 1.798 176.382 174.600 -0.028 0.000 1.031 512 S CA 0.886 59.076 58.200 -0.017 0.000 0.982 512 S CB -0.064 63.127 63.200 -0.015 0.000 0.853 512 S HN 0.438 nan 8.310 nan 0.000 0.458 513 A N 0.335 123.126 122.820 -0.049 0.000 2.255 513 A HA 0.298 4.621 4.320 0.005 0.000 0.206 513 A C 1.596 179.144 177.584 -0.060 0.000 1.193 513 A CA 1.024 53.021 52.037 -0.067 0.000 0.794 513 A CB -0.575 18.356 19.000 -0.115 0.000 0.794 513 A HN 0.515 nan 8.150 nan 0.000 0.481 514 G N -2.704 106.073 108.800 -0.038 0.000 2.944 514 G HA2 0.336 4.299 3.960 0.005 0.000 0.223 514 G HA3 0.336 4.299 3.960 0.005 0.000 0.223 514 G C 1.042 175.931 174.900 -0.018 0.000 1.071 514 G CA 1.026 46.111 45.100 -0.025 0.000 0.806 514 G HN 0.515 nan 8.290 nan 0.000 0.538 515 T N -0.198 114.346 114.554 -0.017 0.000 3.144 515 T HA 0.677 5.030 4.350 0.005 0.000 0.249 515 T C 0.837 175.530 174.700 -0.013 0.000 1.089 515 T CA 0.863 62.955 62.100 -0.013 0.000 0.989 515 T CB -0.476 68.386 68.868 -0.010 0.000 0.992 515 T HN 0.554 nan 8.240 nan 0.000 0.540 516 L N 0.000 121.213 121.223 -0.017 0.000 2.949 516 L HA 0.000 4.343 4.340 0.005 0.000 0.249 516 L CA 0.000 54.831 54.840 -0.016 0.000 0.813 516 L CB 0.000 42.047 42.059 -0.020 0.000 0.961 516 L HN 0.000 nan 8.230 nan 0.000 0.502