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 1odu_1_A DATA FIRST_RESID 7 DATA SEQUENCE RYKPDWESLR EHTVPKWFDK AKFGIFIHWG IYSVPGWATP XXXXXXXXXD DATA SEQUENCE AWFFQNPYAE WYENSLRIKE SPTWEYHVKT YGENFEYEKF ADLFTAEKWD DATA SEQUENCE PQEWADLFKK AGAKYVIPTT KHHDGFCLWG TKYTDFNSVK RGPKRDLVGD DATA SEQUENCE LAKAVREAGL RFGVYYSGGL DWRFTTEPIR YPEDLSYIRP NTYEYADYAY DATA SEQUENCE KQVMELVDLY LPDVLWNDMG WPEKGKEDLK YLFAYYYNKH PEGSVNDRWG DATA SEQUENCE VPHWDFKTAE XXXXXXXDLP GYKWEFTRGI GLSFGYNRNE XXXHMLSVEQ DATA SEQUENCE LVYTLVDVVS KGGNLLLNVG PKGDGTIPDL QKERLLGLGE WLRKYGDAIY DATA SEQUENCE GTSVWERCCA KTEDGTEIRF TRKCNRIFVI FLGIPTGEKI VIEDLNLSAG DATA SEQUENCE TVRHFLTGER LSFKNVGKNL EITVPKKLLE TDSITLVLEA V 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 7 R HA 0.000 nan 4.340 nan 0.000 0.208 7 R C 0.000 176.096 176.300 -0.341 0.000 0.893 7 R CA 0.000 55.979 56.100 -0.201 0.000 0.921 7 R CB 0.000 30.242 30.300 -0.097 0.000 0.687 8 Y N 2.057 122.370 120.300 0.022 0.000 2.364 8 Y HA 0.516 5.066 4.550 0.000 0.000 0.340 8 Y C 0.197 176.100 175.900 0.004 0.000 0.975 8 Y CA -0.678 57.436 58.100 0.023 0.000 1.089 8 Y CB 2.003 40.513 38.460 0.082 0.000 1.192 8 Y HN 0.220 nan 8.280 nan 0.000 0.454 9 K N 4.412 124.884 120.400 0.119 0.000 2.118 9 K HA 0.310 4.631 4.320 0.000 0.000 0.264 9 K C -2.462 174.117 176.600 -0.036 0.000 1.000 9 K CA -1.902 54.403 56.287 0.030 0.000 0.929 9 K CB 0.650 33.144 32.500 -0.010 0.000 1.021 9 K HN 0.310 nan 8.250 nan 0.000 0.463 10 P HA 0.034 nan 4.420 nan 0.000 0.225 10 P C -1.544 175.450 177.300 -0.509 0.000 1.813 10 P CA 0.129 63.033 63.100 -0.326 0.000 1.013 10 P CB -0.154 31.372 31.700 -0.290 0.000 1.961 11 D N 0.012 120.146 120.400 -0.444 0.000 2.654 11 D HA 0.030 4.671 4.640 0.000 0.000 0.231 11 D C 0.122 176.208 176.300 -0.357 0.000 1.239 11 D CA -0.701 52.981 54.000 -0.531 0.000 0.790 11 D CB 0.138 40.755 40.800 -0.305 0.000 1.480 11 D HN 0.028 nan 8.370 nan 0.000 0.442 12 W N 1.039 122.269 121.300 -0.115 0.000 2.342 12 W HA -0.077 4.583 4.660 0.000 0.000 0.297 12 W C 2.343 178.813 176.519 -0.081 0.000 1.213 12 W CA 0.925 58.212 57.345 -0.096 0.000 1.251 12 W CB -0.024 29.399 29.460 -0.062 0.000 1.136 12 W HN 0.598 nan 8.180 nan 0.000 0.526 13 E N 0.297 120.579 120.200 0.137 0.000 2.077 13 E HA -0.254 4.096 4.350 0.000 0.000 0.193 13 E C 2.330 178.956 176.600 0.043 0.000 0.989 13 E CA 1.653 58.097 56.400 0.073 0.000 0.800 13 E CB -0.289 29.437 29.700 0.044 0.000 0.746 13 E HN 0.105 nan 8.360 nan 0.000 0.452 14 S N -0.226 115.487 115.700 0.022 0.000 2.387 14 S HA -0.059 4.411 4.470 0.000 0.000 0.226 14 S C 1.891 176.549 174.600 0.096 0.000 1.026 14 S CA 0.648 58.876 58.200 0.046 0.000 0.972 14 S CB -0.132 63.086 63.200 0.030 0.000 0.814 14 S HN 0.283 nan 8.310 nan 0.000 0.477 15 L N 1.147 122.376 121.223 0.011 0.000 2.376 15 L HA 0.120 4.460 4.340 0.000 0.000 0.219 15 L C 2.545 179.284 176.870 -0.218 0.000 1.133 15 L CA 0.798 55.557 54.840 -0.135 0.000 0.816 15 L CB -0.346 41.536 42.059 -0.295 0.000 0.933 15 L HN 0.273 nan 8.230 nan 0.000 0.449 16 R N 0.941 121.412 120.500 -0.048 0.000 2.152 16 R HA -0.187 4.153 4.340 0.000 0.000 0.232 16 R C 1.892 178.212 176.300 0.035 0.000 1.117 16 R CA 1.306 57.415 56.100 0.015 0.000 0.981 16 R CB -0.178 30.134 30.300 0.021 0.000 0.870 16 R HN 0.319 nan 8.270 nan 0.000 0.451 17 E N -0.321 119.925 120.200 0.077 0.000 2.267 17 E HA -0.191 4.159 4.350 0.000 0.000 0.197 17 E C -0.015 176.668 176.600 0.139 0.000 0.998 17 E CA 0.701 57.168 56.400 0.113 0.000 0.830 17 E CB -0.160 29.627 29.700 0.145 0.000 0.751 17 E HN 0.382 nan 8.360 nan 0.000 0.491 18 H N 1.476 120.529 119.070 -0.028 0.000 3.004 18 H HA 0.048 4.604 4.556 0.000 0.000 0.267 18 H C -0.360 174.853 175.328 -0.193 0.000 1.165 18 H CA 0.083 55.960 56.048 -0.285 0.000 1.450 18 H CB -0.036 29.074 29.762 -1.086 0.000 1.488 18 H HN 0.028 nan 8.280 nan 0.000 0.478 19 T N 0.957 115.306 114.554 -0.342 0.000 2.788 19 T HA 0.137 4.488 4.350 0.000 0.000 0.280 19 T C 0.674 175.165 174.700 -0.348 0.000 0.984 19 T CA -0.894 61.068 62.100 -0.230 0.000 0.972 19 T CB 1.598 70.383 68.868 -0.137 0.000 1.039 19 T HN 0.320 nan 8.240 nan 0.000 0.530 20 V N 2.815 122.647 119.914 -0.136 0.000 2.599 20 V HA 0.233 4.353 4.120 0.000 0.000 0.300 20 V C -2.086 173.897 176.094 -0.186 0.000 1.034 20 V CA -1.523 60.712 62.300 -0.107 0.000 1.115 20 V CB 0.019 31.859 31.823 0.028 0.000 0.934 20 V HN 0.826 nan 8.190 nan 0.000 0.485 21 P HA 0.181 nan 4.420 nan 0.000 0.269 21 P C 0.354 177.535 177.300 -0.199 0.000 1.209 21 P CA -0.127 62.853 63.100 -0.200 0.000 0.776 21 P CB 0.433 32.035 31.700 -0.162 0.000 0.876 22 K N 1.931 122.298 120.400 -0.056 0.000 2.057 22 K HA -0.137 4.183 4.320 0.000 0.000 0.207 22 K C 1.964 178.573 176.600 0.016 0.000 1.049 22 K CA 1.611 57.896 56.287 -0.003 0.000 0.931 22 K CB -0.365 32.169 32.500 0.057 0.000 0.714 22 K HN 0.705 nan 8.250 nan 0.000 0.440 23 W N 0.628 121.968 121.300 0.065 0.000 2.342 23 W HA -0.221 4.439 4.660 0.001 0.000 0.297 23 W C 1.580 178.128 176.519 0.049 0.000 1.213 23 W CA 0.544 57.925 57.345 0.060 0.000 1.251 23 W CB -1.034 28.468 29.460 0.070 0.000 1.136 23 W HN -0.020 nan 8.180 nan 0.000 0.526 24 F N 2.812 122.009 119.950 -1.256 0.000 2.206 24 F HA -0.129 4.398 4.527 0.000 0.000 0.298 24 F C 2.272 177.730 175.800 -0.570 0.000 1.090 24 F CA 2.353 59.539 58.000 -1.357 0.000 1.323 24 F CB -0.683 37.313 39.000 -1.674 0.000 1.028 24 F HN -0.175 nan 8.300 nan 0.000 0.492 25 D N 0.173 120.430 120.400 -0.238 0.000 2.178 25 D HA -0.168 4.472 4.640 0.000 0.000 0.201 25 D C 1.853 178.082 176.300 -0.119 0.000 0.980 25 D CA 1.412 55.331 54.000 -0.134 0.000 0.842 25 D CB -0.100 40.684 40.800 -0.027 0.000 0.948 25 D HN 0.280 nan 8.370 nan 0.000 0.472 26 K N -0.298 120.066 120.400 -0.059 0.000 2.361 26 K HA 0.196 4.516 4.320 0.000 0.000 0.196 26 K C 2.007 178.653 176.600 0.077 0.000 1.039 26 K CA 0.514 56.825 56.287 0.039 0.000 1.001 26 K CB 0.267 32.823 32.500 0.093 0.000 0.795 26 K HN 0.086 nan 8.250 nan 0.000 0.495 27 A N 1.924 124.749 122.820 0.009 0.000 1.877 27 A HA -0.233 4.087 4.320 0.000 0.000 0.216 27 A C 1.086 178.795 177.584 0.208 0.000 1.186 27 A CA 2.073 54.187 52.037 0.129 0.000 0.620 27 A CB -0.147 18.936 19.000 0.139 0.000 0.822 27 A HN 0.195 nan 8.150 nan 0.000 0.443 28 K N -4.139 116.296 120.400 0.058 0.000 3.658 28 K HA -0.205 4.116 4.320 0.000 0.000 0.372 28 K C 0.039 176.764 176.600 0.209 0.000 0.598 28 K CA 2.105 58.452 56.287 0.100 0.000 1.635 28 K CB -1.560 31.056 32.500 0.192 0.000 1.178 28 K HN 0.716 nan 8.250 nan 0.000 0.470 29 F N -0.655 119.351 119.950 0.094 0.000 2.573 29 F HA 0.574 5.101 4.527 0.000 0.000 0.316 29 F C 0.038 175.695 175.800 -0.238 0.000 1.148 29 F CA -0.080 57.911 58.000 -0.014 0.000 0.940 29 F CB 2.017 41.073 39.000 0.093 0.000 1.214 29 F HN 0.063 nan 8.300 nan 0.000 0.448 30 G N 5.824 113.973 108.800 -1.085 0.000 2.672 30 G HA2 0.577 4.537 3.960 0.000 0.000 0.292 30 G HA3 0.577 4.537 3.960 0.000 0.000 0.292 30 G C -1.967 172.229 174.900 -1.174 0.000 1.375 30 G CA -0.802 43.354 45.100 -1.572 0.000 0.890 30 G HN 0.500 nan 8.290 nan 0.000 0.476 31 I N 1.301 121.301 120.570 -0.949 0.000 2.339 31 I HA 0.334 4.505 4.170 0.000 0.000 0.290 31 I C -0.724 175.123 176.117 -0.450 0.000 0.994 31 I CA -0.616 60.260 61.300 -0.707 0.000 1.191 31 I CB 1.280 38.670 38.000 -1.016 0.000 1.343 31 I HN 0.216 nan 8.210 nan 0.000 0.458 32 F N 7.169 126.895 119.950 -0.374 0.000 2.389 32 F HA 0.464 4.991 4.527 0.000 0.000 0.337 32 F C 0.325 176.003 175.800 -0.203 0.000 1.112 32 F CA -0.923 56.927 58.000 -0.251 0.000 1.192 32 F CB 0.856 39.786 39.000 -0.116 0.000 1.185 32 F HN 0.202 nan 8.300 nan 0.000 0.552 33 I N 4.762 125.437 120.570 0.175 0.000 2.476 33 I HA 0.131 4.301 4.170 0.000 0.000 0.281 33 I C -1.257 174.878 176.117 0.030 0.000 1.040 33 I CA -0.608 60.732 61.300 0.067 0.000 1.094 33 I CB 1.207 39.273 38.000 0.110 0.000 1.219 33 I HN 0.414 nan 8.210 nan 0.000 0.450 34 H N 5.144 124.174 119.070 -0.066 0.000 2.705 34 H HA 0.341 4.897 4.556 0.000 0.000 0.291 34 H C -1.338 174.153 175.328 0.272 0.000 1.085 34 H CA 0.049 56.085 56.048 -0.020 0.000 1.357 34 H CB 0.664 30.323 29.762 -0.172 0.000 1.419 34 H HN 0.505 nan 8.280 nan 0.000 0.462 35 W N 3.694 125.050 121.300 0.093 0.000 3.132 35 W HA 0.552 5.212 4.660 0.000 0.000 0.337 35 W C -0.711 175.579 176.519 -0.382 0.000 1.082 35 W CA -0.754 56.556 57.345 -0.058 0.000 1.242 35 W CB 1.336 30.886 29.460 0.150 0.000 1.354 35 W HN 0.698 nan 8.180 nan 0.000 0.461 36 G N 3.509 111.585 108.800 -1.206 0.000 2.664 36 G HA2 0.259 4.220 3.960 0.000 0.000 0.303 36 G HA3 0.259 4.220 3.960 0.000 0.000 0.303 36 G C 0.294 173.965 174.900 -2.048 0.000 1.243 36 G CA -0.129 44.024 45.100 -1.579 0.000 0.826 36 G HN 0.871 nan 8.290 nan 0.000 0.498 37 I N -1.003 118.624 120.570 -1.571 0.000 2.928 37 I HA 0.067 4.238 4.170 0.000 0.000 0.266 37 I C 2.149 177.759 176.117 -0.845 0.000 1.234 37 I CA 1.083 61.640 61.300 -1.239 0.000 1.483 37 I CB -0.396 37.001 38.000 -1.005 0.000 1.097 37 I HN 0.515 nan 8.210 nan 0.000 0.455 38 Y N 0.896 120.940 120.300 -0.427 0.000 2.497 38 Y HA 0.109 4.659 4.550 0.000 0.000 0.292 38 Y C 2.313 178.037 175.900 -0.293 0.000 1.137 38 Y CA 0.600 58.537 58.100 -0.272 0.000 1.285 38 Y CB -1.404 37.077 38.460 0.036 0.000 0.991 38 Y HN 0.064 nan 8.280 nan 0.000 0.556 39 S N 0.228 115.697 115.700 -0.383 0.000 2.447 39 S HA -0.112 4.358 4.470 0.000 0.000 0.233 39 S C 2.055 176.632 174.600 -0.038 0.000 1.006 39 S CA 1.040 59.206 58.200 -0.057 0.000 0.957 39 S CB -0.524 62.676 63.200 -0.001 0.000 0.773 39 S HN 0.382 nan 8.310 nan 0.000 0.507 40 V N 3.154 122.894 119.914 -0.291 0.000 2.237 40 V HA -0.108 4.012 4.120 0.000 0.000 0.245 40 V C -0.203 175.770 176.094 -0.201 0.000 1.046 40 V CA 1.711 63.887 62.300 -0.206 0.000 1.007 40 V CB -1.705 29.957 31.823 -0.269 0.000 0.638 40 V HN 0.381 nan 8.190 nan 0.000 0.445 41 P HA -0.034 nan 4.420 nan 0.000 0.217 41 P C 1.220 178.554 177.300 0.058 0.000 1.151 41 P CA 1.638 64.570 63.100 -0.280 0.000 0.828 41 P CB -0.331 30.771 31.700 -0.998 0.000 0.788 42 G N 0.188 108.976 108.800 -0.020 0.000 2.396 42 G HA2 -0.219 3.741 3.960 0.000 0.000 0.288 42 G HA3 -0.219 3.741 3.960 0.000 0.000 0.288 42 G C -0.668 174.250 174.900 0.030 0.000 0.926 42 G CA 0.226 45.362 45.100 0.060 0.000 1.211 42 G HN 0.421 nan 8.290 nan 0.000 0.496 43 W N 0.001 121.289 121.300 -0.020 0.000 2.915 43 W HA 0.707 5.367 4.660 0.000 0.000 0.337 43 W C -0.332 176.178 176.519 -0.015 0.000 1.102 43 W CA -0.118 57.161 57.345 -0.111 0.000 1.224 43 W CB 1.898 31.182 29.460 -0.293 0.000 1.416 43 W HN 0.885 nan 8.180 nan 0.000 0.503 44 A N 2.358 124.677 122.820 -0.836 0.000 2.594 44 A HA 0.554 4.874 4.320 0.000 0.000 0.296 44 A C -0.303 176.515 177.584 -1.276 0.000 1.061 44 A CA -0.489 51.109 52.037 -0.731 0.000 0.689 44 A CB 0.657 19.461 19.000 -0.327 0.000 1.280 44 A HN 0.733 nan 8.150 nan 0.000 0.406 45 T N 1.365 115.387 114.554 -0.887 0.000 2.932 45 T HA 0.500 4.850 4.350 0.000 0.000 0.312 45 T C -1.658 172.731 174.700 -0.519 0.000 1.071 45 T CA -0.641 61.071 62.100 -0.647 0.000 1.128 45 T CB -0.136 68.586 68.868 -0.244 0.000 0.984 45 T HN 0.498 nan 8.240 nan 0.000 0.549 57 A N 0.815 123.755 122.820 0.199 0.000 2.911 57 A HA 0.235 4.555 4.320 0.000 0.000 0.304 57 A C 0.980 178.710 177.584 0.243 0.000 1.144 57 A CA -0.457 51.753 52.037 0.288 0.000 0.988 57 A CB -1.051 18.001 19.000 0.086 0.000 1.141 57 A HN 0.464 nan 8.150 nan 0.000 0.552 58 W N -0.008 121.255 121.300 -0.062 0.000 2.335 58 W HA -0.227 4.434 4.660 0.001 0.000 0.311 58 W C 0.545 176.808 176.519 -0.427 0.000 1.213 58 W CA 1.794 58.937 57.345 -0.337 0.000 1.274 58 W CB -0.279 28.823 29.460 -0.595 0.000 1.148 58 W HN 0.519 nan 8.180 nan 0.000 0.498 59 F N -0.707 119.214 119.950 -0.048 0.000 2.456 59 F HA -0.068 4.459 4.527 0.000 0.000 0.298 59 F C 1.983 177.541 175.800 -0.404 0.000 1.104 59 F CA 0.887 58.699 58.000 -0.312 0.000 1.435 59 F CB -0.927 37.852 39.000 -0.368 0.000 1.078 59 F HN -0.264 nan 8.300 nan 0.000 0.546 60 F N -0.339 119.580 119.950 -0.052 0.000 2.367 60 F HA -0.020 4.507 4.527 0.000 0.000 0.298 60 F C 1.061 176.800 175.800 -0.100 0.000 1.094 60 F CA 0.819 58.775 58.000 -0.073 0.000 1.409 60 F CB -0.277 38.684 39.000 -0.065 0.000 1.064 60 F HN -0.109 nan 8.300 nan 0.000 0.528 61 Q N 0.242 120.023 119.800 -0.032 0.000 2.656 61 Q HA 0.132 4.472 4.340 0.000 0.000 0.389 61 Q C -0.627 175.124 176.000 -0.415 0.000 0.883 61 Q CA -0.400 55.313 55.803 -0.151 0.000 1.056 61 Q CB 0.262 28.925 28.738 -0.125 0.000 1.391 61 Q HN -0.012 nan 8.270 nan 0.000 0.399 62 N N 2.673 121.114 118.700 -0.431 0.000 2.434 62 N HA 0.008 4.749 4.740 0.000 0.000 0.268 62 N C -1.636 173.543 175.510 -0.551 0.000 1.256 62 N CA -0.958 51.680 53.050 -0.686 0.000 0.914 62 N CB 1.019 39.277 38.487 -0.382 0.000 1.088 62 N HN 0.249 nan 8.380 nan 0.000 0.478 63 P HA -0.002 nan 4.420 nan 0.000 0.245 63 P C -0.533 176.732 177.300 -0.058 0.000 1.212 63 P CA 0.549 63.397 63.100 -0.421 0.000 0.774 63 P CB 0.138 31.558 31.700 -0.467 0.000 0.999 64 Y N 0.508 120.652 120.300 -0.259 0.000 2.383 64 Y HA 0.433 4.984 4.550 0.000 0.000 0.344 64 Y C 1.820 177.751 175.900 0.051 0.000 0.986 64 Y CA -1.797 56.280 58.100 -0.039 0.000 1.175 64 Y CB 0.463 38.986 38.460 0.105 0.000 1.152 64 Y HN -0.080 nan 8.280 nan 0.000 0.511 65 A N 2.686 125.586 122.820 0.134 0.000 2.067 65 A HA -0.123 4.197 4.320 0.000 0.000 0.219 65 A C 1.722 179.403 177.584 0.163 0.000 1.158 65 A CA 1.111 53.240 52.037 0.154 0.000 0.661 65 A CB -0.262 18.776 19.000 0.064 0.000 0.801 65 A HN 0.766 nan 8.150 nan 0.000 0.452 66 E N -1.179 118.991 120.200 -0.049 0.000 2.204 66 E HA -0.185 4.166 4.350 0.000 0.000 0.194 66 E C 0.820 177.379 176.600 -0.067 0.000 0.989 66 E CA 0.947 56.962 56.400 -0.642 0.000 0.824 66 E CB -0.357 28.702 29.700 -1.069 0.000 0.756 66 E HN 0.839 nan 8.360 nan 0.000 0.477 67 W N 0.218 121.627 121.300 0.182 0.000 3.434 67 W HA 0.183 4.843 4.660 0.000 0.000 0.297 67 W C 1.118 177.792 176.519 0.259 0.000 1.295 67 W CA -0.632 56.953 57.345 0.400 0.000 1.731 67 W CB -0.715 28.980 29.460 0.392 0.000 1.070 67 W HN 0.114 nan 8.180 nan 0.000 0.726 68 Y N 1.447 121.932 120.300 0.309 0.000 2.102 68 Y HA -0.386 4.164 4.550 0.000 0.000 0.280 68 Y C 2.498 178.460 175.900 0.104 0.000 1.178 68 Y CA 2.617 60.875 58.100 0.264 0.000 1.146 68 Y CB -0.209 38.464 38.460 0.355 0.000 0.968 68 Y HN 0.092 nan 8.280 nan 0.000 0.504 69 E N -0.393 119.844 120.200 0.062 0.000 2.072 69 E HA -0.270 4.081 4.350 0.000 0.000 0.191 69 E C 1.997 178.346 176.600 -0.418 0.000 0.985 69 E CA 1.268 57.432 56.400 -0.394 0.000 0.801 69 E CB -0.299 28.843 29.700 -0.929 0.000 0.750 69 E HN 0.540 nan 8.360 nan 0.000 0.452 70 N N -0.096 118.260 118.700 -0.574 0.000 2.084 70 N HA -0.131 4.610 4.740 0.000 0.000 0.190 70 N C 1.781 177.130 175.510 -0.269 0.000 1.030 70 N CA 1.963 54.638 53.050 -0.626 0.000 0.849 70 N CB -0.082 38.090 38.487 -0.524 0.000 1.012 70 N HN -0.038 nan 8.380 nan 0.000 0.423 71 S N -0.087 115.553 115.700 -0.100 0.000 2.399 71 S HA -0.108 4.362 4.470 0.000 0.000 0.231 71 S C 1.680 176.227 174.600 -0.088 0.000 1.022 71 S CA 0.726 58.881 58.200 -0.075 0.000 0.983 71 S CB -0.352 62.839 63.200 -0.015 0.000 0.803 71 S HN 0.362 nan 8.310 nan 0.000 0.480 72 L N 1.796 122.934 121.223 -0.142 0.000 2.156 72 L HA 0.122 4.462 4.340 0.000 0.000 0.208 72 L C 2.000 178.896 176.870 0.043 0.000 1.095 72 L CA 1.527 56.340 54.840 -0.044 0.000 0.770 72 L CB -0.367 41.617 42.059 -0.126 0.000 0.914 72 L HN 0.064 nan 8.230 nan 0.000 0.439 73 R N -0.575 119.866 120.500 -0.098 0.000 2.235 73 R HA 0.115 4.455 4.340 0.000 0.000 0.213 73 R C 0.387 176.601 176.300 -0.144 0.000 1.059 73 R CA 0.327 56.354 56.100 -0.121 0.000 0.997 73 R CB -0.229 29.934 30.300 -0.228 0.000 0.884 73 R HN 0.311 nan 8.270 nan 0.000 0.462 74 I N 2.371 122.848 120.570 -0.155 0.000 2.329 74 I HA 0.013 4.183 4.170 0.000 0.000 0.295 74 I C 0.316 176.316 176.117 -0.195 0.000 1.109 74 I CA -0.062 61.135 61.300 -0.170 0.000 1.297 74 I CB 0.472 38.356 38.000 -0.193 0.000 1.433 74 I HN -0.087 nan 8.210 nan 0.000 0.509 75 K N 5.436 125.629 120.400 -0.346 0.000 2.448 75 K HA -0.022 4.298 4.320 0.000 0.000 0.278 75 K C 0.653 176.877 176.600 -0.627 0.000 1.009 75 K CA 0.494 56.306 56.287 -0.792 0.000 0.995 75 K CB 0.397 32.479 32.500 -0.697 0.000 0.917 75 K HN 0.587 nan 8.250 nan 0.000 0.481 76 E N 0.080 119.761 120.200 -0.865 0.000 4.153 76 E HA -0.222 4.128 4.350 0.000 0.000 0.376 76 E C -0.433 176.216 176.600 0.081 0.000 0.598 76 E CA 1.306 57.552 56.400 -0.257 0.000 1.343 76 E CB -1.119 28.447 29.700 -0.223 0.000 1.793 76 E HN 0.788 nan 8.360 nan 0.000 0.392 77 S N -0.161 115.596 115.700 0.095 0.000 2.572 77 S HA 0.151 4.621 4.470 0.000 0.000 0.267 77 S C -1.539 173.206 174.600 0.241 0.000 1.361 77 S CA -0.326 57.977 58.200 0.171 0.000 1.009 77 S CB 0.901 64.180 63.200 0.131 0.000 0.888 77 S HN -0.089 nan 8.310 nan 0.000 0.553 78 P HA -0.009 nan 4.420 nan 0.000 0.218 78 P C 1.406 178.844 177.300 0.231 0.000 1.149 78 P CA 1.243 64.498 63.100 0.259 0.000 0.817 78 P CB -0.288 31.601 31.700 0.314 0.000 0.785 79 T N -2.017 112.694 114.554 0.261 0.000 2.833 79 T HA -0.170 4.180 4.350 0.000 0.000 0.269 79 T C 1.366 176.109 174.700 0.071 0.000 1.054 79 T CA 1.006 63.180 62.100 0.123 0.000 1.135 79 T CB -0.861 68.020 68.868 0.022 0.000 0.869 79 T HN 0.211 nan 8.240 nan 0.000 0.466 80 W N 2.044 123.336 121.300 -0.013 0.000 2.388 80 W HA -0.032 4.628 4.660 0.000 0.000 0.294 80 W C 2.056 178.604 176.519 0.048 0.000 1.212 80 W CA 0.843 58.207 57.345 0.032 0.000 1.271 80 W CB -0.062 29.411 29.460 0.021 0.000 1.126 80 W HN 0.308 nan 8.180 nan 0.000 0.535 81 E N -0.972 119.347 120.200 0.198 0.000 2.031 81 E HA -0.324 4.026 4.350 0.000 0.000 0.193 81 E C 1.934 178.432 176.600 -0.169 0.000 0.994 81 E CA 1.781 58.190 56.400 0.015 0.000 0.800 81 E CB -0.961 28.808 29.700 0.114 0.000 0.752 81 E HN 0.366 nan 8.360 nan 0.000 0.447 82 Y N 1.023 121.117 120.300 -0.344 0.000 2.128 82 Y HA -0.317 4.233 4.550 0.000 0.000 0.284 82 Y C 2.434 178.144 175.900 -0.316 0.000 1.154 82 Y CA 2.333 60.116 58.100 -0.528 0.000 1.149 82 Y CB -0.392 37.320 38.460 -1.246 0.000 0.976 82 Y HN 0.152 nan 8.280 nan 0.000 0.505 83 H N -0.840 118.113 119.070 -0.196 0.000 2.357 83 H HA -0.103 4.453 4.556 0.000 0.000 0.301 83 H C 2.021 177.211 175.328 -0.229 0.000 1.082 83 H CA 2.169 58.198 56.048 -0.032 0.000 1.342 83 H CB -0.395 29.438 29.762 0.117 0.000 1.389 83 H HN 0.228 nan 8.280 nan 0.000 0.511 84 V N 0.904 120.526 119.914 -0.487 0.000 3.041 84 V HA -0.111 4.009 4.120 0.000 0.000 0.260 84 V C 2.308 178.127 176.094 -0.458 0.000 1.105 84 V CA 1.833 63.792 62.300 -0.569 0.000 1.125 84 V CB -0.312 30.951 31.823 -0.934 0.000 0.730 84 V HN 0.502 nan 8.190 nan 0.000 0.479 85 K N -0.221 119.900 120.400 -0.465 0.000 2.244 85 K HA -0.040 4.280 4.320 0.000 0.000 0.200 85 K C 1.893 178.189 176.600 -0.507 0.000 1.052 85 K CA 1.288 57.331 56.287 -0.407 0.000 0.980 85 K CB 0.086 32.382 32.500 -0.339 0.000 0.838 85 K HN 0.405 nan 8.250 nan 0.000 0.481 86 T N -0.140 113.972 114.554 -0.737 0.000 2.937 86 T HA 0.007 4.357 4.350 0.000 0.000 0.260 86 T C 0.880 174.941 174.700 -1.065 0.000 1.051 86 T CA 1.021 62.534 62.100 -0.979 0.000 1.141 86 T CB -0.118 67.884 68.868 -1.442 0.000 0.879 86 T HN 0.292 nan 8.240 nan 0.000 0.459 87 Y N 0.280 120.163 120.300 -0.695 0.000 2.441 87 Y HA 0.479 5.029 4.550 0.000 0.000 0.266 87 Y C 1.264 176.837 175.900 -0.545 0.000 1.093 87 Y CA -0.092 57.505 58.100 -0.838 0.000 1.246 87 Y CB 0.954 38.553 38.460 -1.436 0.000 1.262 87 Y HN 0.322 nan 8.280 nan 0.000 0.518 88 G N 1.032 109.620 108.800 -0.354 0.000 2.697 88 G HA2 -0.186 3.775 3.960 0.000 0.000 0.686 88 G HA3 -0.186 3.775 3.960 0.000 0.000 0.686 88 G C 0.097 174.930 174.900 -0.111 0.000 1.179 88 G CA -0.245 44.748 45.100 -0.179 0.000 0.765 88 G HN 0.153 nan 8.290 nan 0.000 0.649 89 E N 0.064 120.211 120.200 -0.089 0.000 2.160 89 E HA -0.136 4.214 4.350 0.000 0.000 0.195 89 E C 1.498 178.166 176.600 0.113 0.000 0.991 89 E CA 1.232 57.624 56.400 -0.013 0.000 0.810 89 E CB 0.017 29.723 29.700 0.009 0.000 0.742 89 E HN 0.419 nan 8.360 nan 0.000 0.466 90 N N -0.141 118.619 118.700 0.100 0.000 2.295 90 N HA 0.000 4.740 4.740 0.000 0.000 0.221 90 N C -0.774 174.802 175.510 0.111 0.000 1.129 90 N CA 0.064 53.171 53.050 0.095 0.000 0.836 90 N CB -0.070 38.445 38.487 0.048 0.000 1.040 90 N HN 0.027 nan 8.380 nan 0.000 0.494 91 F N 2.719 122.696 119.950 0.046 0.000 2.351 91 F HA 0.121 4.648 4.527 0.000 0.000 0.362 91 F C 0.356 176.211 175.800 0.092 0.000 1.131 91 F CA -1.113 56.906 58.000 0.032 0.000 1.187 91 F CB 0.129 39.117 39.000 -0.020 0.000 1.434 91 F HN 0.006 nan 8.300 nan 0.000 0.553 92 E N 3.231 123.388 120.200 -0.072 0.000 2.442 92 E HA -0.161 4.189 4.350 0.000 0.000 0.262 92 E C 0.498 177.061 176.600 -0.061 0.000 1.004 92 E CA -0.070 56.311 56.400 -0.032 0.000 0.928 92 E CB 0.455 30.100 29.700 -0.091 0.000 0.937 92 E HN 0.761 nan 8.360 nan 0.000 0.446 93 Y N 2.352 122.635 120.300 -0.028 0.000 2.224 93 Y HA -0.253 4.297 4.550 0.000 0.000 0.289 93 Y C 2.080 178.031 175.900 0.086 0.000 1.146 93 Y CA 2.183 60.328 58.100 0.074 0.000 1.182 93 Y CB 0.121 38.717 38.460 0.226 0.000 0.983 93 Y HN 0.795 nan 8.280 nan 0.000 0.524 94 E N 0.454 120.702 120.200 0.081 0.000 2.209 94 E HA -0.267 4.083 4.350 0.000 0.000 0.196 94 E C 2.029 178.600 176.600 -0.050 0.000 0.993 94 E CA 1.044 57.492 56.400 0.080 0.000 0.819 94 E CB -0.149 29.553 29.700 0.004 0.000 0.745 94 E HN 0.482 nan 8.360 nan 0.000 0.477 95 K N -0.383 119.850 120.400 -0.278 0.000 2.280 95 K HA -0.109 4.211 4.320 0.000 0.000 0.202 95 K C 1.614 178.052 176.600 -0.270 0.000 1.047 95 K CA 0.749 56.798 56.287 -0.397 0.000 0.942 95 K CB -0.109 31.858 32.500 -0.888 0.000 0.739 95 K HN 0.190 nan 8.250 nan 0.000 0.457 96 F N 0.379 120.218 119.950 -0.184 0.000 2.333 96 F HA -0.183 4.345 4.527 0.000 0.000 0.300 96 F C 2.291 177.918 175.800 -0.289 0.000 1.083 96 F CA 0.377 58.233 58.000 -0.239 0.000 1.395 96 F CB -0.098 38.611 39.000 -0.485 0.000 1.056 96 F HN 0.115 nan 8.300 nan 0.000 0.529 97 A N -0.005 122.722 122.820 -0.154 0.000 1.940 97 A HA -0.214 4.106 4.320 0.000 0.000 0.219 97 A C 1.819 179.353 177.584 -0.083 0.000 1.176 97 A CA 2.078 53.934 52.037 -0.300 0.000 0.631 97 A CB -0.577 18.298 19.000 -0.208 0.000 0.814 97 A HN 0.246 nan 8.150 nan 0.000 0.446 98 D N -0.786 119.603 120.400 -0.017 0.000 2.323 98 D HA 0.016 4.656 4.640 0.000 0.000 0.209 98 D C 1.251 177.577 176.300 0.043 0.000 0.973 98 D CA 0.553 54.560 54.000 0.012 0.000 0.874 98 D CB 0.037 40.837 40.800 0.001 0.000 0.930 98 D HN 0.298 nan 8.370 nan 0.000 0.521 99 L N -0.130 121.146 121.223 0.088 0.000 2.509 99 L HA 0.069 4.409 4.340 0.000 0.000 0.222 99 L C 0.554 177.514 176.870 0.150 0.000 1.123 99 L CA 0.254 55.180 54.840 0.144 0.000 0.856 99 L CB -0.348 41.862 42.059 0.251 0.000 0.985 99 L HN -0.082 nan 8.230 nan 0.000 0.456 100 F N 0.748 120.632 119.950 -0.110 0.000 2.605 100 F HA 0.192 4.719 4.527 0.000 0.000 0.352 100 F C 1.533 177.254 175.800 -0.131 0.000 1.236 100 F CA -0.693 57.195 58.000 -0.185 0.000 1.267 100 F CB -0.385 38.381 39.000 -0.390 0.000 1.632 100 F HN 0.087 nan 8.300 nan 0.000 0.639 101 T N 1.183 115.657 114.554 -0.133 0.000 3.054 101 T HA 0.253 4.603 4.350 0.000 0.000 0.259 101 T C 1.367 175.921 174.700 -0.244 0.000 1.092 101 T CA 0.361 62.358 62.100 -0.171 0.000 1.121 101 T CB -0.401 68.447 68.868 -0.034 0.000 0.912 101 T HN 1.096 nan 8.240 nan 0.000 0.489 102 A N 1.307 123.975 122.820 -0.253 0.000 2.610 102 A HA -0.232 4.088 4.320 0.000 0.000 0.299 102 A C 1.200 178.830 177.584 0.075 0.000 1.487 102 A CA 1.288 53.281 52.037 -0.073 0.000 0.743 102 A CB -2.414 16.412 19.000 -0.291 0.000 1.070 102 A HN 0.611 nan 8.150 nan 0.000 0.439 103 E N 0.308 120.552 120.200 0.073 0.000 2.038 103 E HA -0.128 4.222 4.350 0.000 0.000 0.195 103 E C 1.390 178.044 176.600 0.088 0.000 1.000 103 E CA 2.130 58.571 56.400 0.068 0.000 0.803 103 E CB -0.116 29.621 29.700 0.061 0.000 0.750 103 E HN 0.765 nan 8.360 nan 0.000 0.448 104 K N -0.788 119.680 120.400 0.113 0.000 2.577 104 K HA 0.082 4.402 4.320 0.000 0.000 0.210 104 K C -0.814 175.858 176.600 0.119 0.000 1.048 104 K CA -0.501 55.840 56.287 0.092 0.000 1.188 104 K CB -0.013 32.534 32.500 0.078 0.000 0.910 104 K HN 0.142 nan 8.250 nan 0.000 0.483 105 W N 2.420 123.676 121.300 -0.073 0.000 2.304 105 W HA 0.082 4.742 4.660 0.000 0.000 0.313 105 W C -0.495 175.882 176.519 -0.237 0.000 1.323 105 W CA -0.317 56.909 57.345 -0.198 0.000 1.223 105 W CB 0.545 29.909 29.460 -0.160 0.000 1.237 105 W HN 0.020 nan 8.180 nan 0.000 0.535 106 D N 8.455 128.346 120.400 -0.848 0.000 2.402 106 D HA 0.260 4.901 4.640 0.000 0.000 0.252 106 D C -1.538 174.086 176.300 -1.128 0.000 1.294 106 D CA -2.186 51.326 54.000 -0.814 0.000 0.948 106 D CB 1.974 42.547 40.800 -0.379 0.000 1.202 106 D HN 0.080 nan 8.370 nan 0.000 0.561 107 P HA -0.170 nan 4.420 nan 0.000 0.218 107 P C 1.250 178.301 177.300 -0.416 0.000 1.148 107 P CA 0.882 63.375 63.100 -1.012 0.000 0.822 107 P CB 0.581 31.729 31.700 -0.919 0.000 0.784 108 Q N 0.071 119.662 119.800 -0.348 0.000 2.167 108 Q HA -0.133 4.207 4.340 0.000 0.000 0.202 108 Q C 2.188 178.097 176.000 -0.152 0.000 0.970 108 Q CA 1.221 56.910 55.803 -0.190 0.000 0.855 108 Q CB -0.524 28.118 28.738 -0.160 0.000 0.911 108 Q HN 0.440 nan 8.270 nan 0.000 0.438 109 E N -0.911 119.181 120.200 -0.180 0.000 2.110 109 E HA -0.181 4.170 4.350 0.000 0.000 0.193 109 E C 1.468 178.029 176.600 -0.065 0.000 0.988 109 E CA 0.773 57.110 56.400 -0.104 0.000 0.804 109 E CB 0.047 29.696 29.700 -0.084 0.000 0.745 109 E HN 0.326 nan 8.360 nan 0.000 0.458 110 W N 0.286 121.345 121.300 -0.403 0.000 2.379 110 W HA 0.025 4.685 4.660 0.000 0.000 0.307 110 W C 2.393 178.384 176.519 -0.880 0.000 1.200 110 W CA 1.060 58.003 57.345 -0.669 0.000 1.297 110 W CB -1.000 28.229 29.460 -0.385 0.000 1.140 110 W HN 0.112 nan 8.180 nan 0.000 0.507 111 A N -0.465 122.277 122.820 -0.129 0.000 1.972 111 A HA -0.224 4.096 4.320 0.000 0.000 0.219 111 A C 1.714 179.273 177.584 -0.043 0.000 1.169 111 A CA 2.212 54.250 52.037 0.001 0.000 0.635 111 A CB -0.864 18.170 19.000 0.058 0.000 0.810 111 A HN 0.262 nan 8.150 nan 0.000 0.446 112 D N -0.770 119.572 120.400 -0.096 0.000 2.162 112 D HA -0.068 4.572 4.640 0.000 0.000 0.203 112 D C 1.826 178.084 176.300 -0.070 0.000 0.967 112 D CA 0.616 54.581 54.000 -0.058 0.000 0.840 112 D CB -0.095 40.670 40.800 -0.057 0.000 0.972 112 D HN 0.306 nan 8.370 nan 0.000 0.482 113 L N -0.304 120.806 121.223 -0.188 0.000 2.046 113 L HA -0.152 4.188 4.340 0.000 0.000 0.208 113 L C 1.827 178.689 176.870 -0.013 0.000 1.077 113 L CA 1.343 56.082 54.840 -0.169 0.000 0.747 113 L CB -0.417 41.439 42.059 -0.338 0.000 0.896 113 L HN 0.189 nan 8.230 nan 0.000 0.432 114 F N -0.032 119.928 119.950 0.017 0.000 2.259 114 F HA -0.212 4.315 4.527 0.000 0.000 0.298 114 F C 2.686 178.505 175.800 0.033 0.000 1.088 114 F CA 0.718 58.718 58.000 0.001 0.000 1.358 114 F CB -0.167 38.819 39.000 -0.023 0.000 1.040 114 F HN 0.089 nan 8.300 nan 0.000 0.505 115 K N 1.213 121.729 120.400 0.194 0.000 2.062 115 K HA -0.131 4.189 4.320 0.000 0.000 0.205 115 K C 1.899 178.580 176.600 0.135 0.000 1.051 115 K CA 1.033 57.402 56.287 0.137 0.000 0.941 115 K CB 0.005 32.556 32.500 0.086 0.000 0.719 115 K HN 0.104 nan 8.250 nan 0.000 0.440 116 K N 0.001 120.470 120.400 0.114 0.000 2.211 116 K HA -0.053 4.267 4.320 0.000 0.000 0.203 116 K C 1.884 178.579 176.600 0.159 0.000 1.050 116 K CA 0.938 57.291 56.287 0.109 0.000 0.945 116 K CB 0.080 32.620 32.500 0.068 0.000 0.732 116 K HN 0.183 nan 8.250 nan 0.000 0.451 117 A N 0.488 123.435 122.820 0.212 0.000 2.119 117 A HA 0.110 4.430 4.320 0.000 0.000 0.216 117 A C 1.509 179.341 177.584 0.413 0.000 1.152 117 A CA 1.246 53.457 52.037 0.291 0.000 0.708 117 A CB -0.211 18.995 19.000 0.345 0.000 0.805 117 A HN 0.415 nan 8.150 nan 0.000 0.460 118 G N -2.353 106.675 108.800 0.381 0.000 2.176 118 G HA2 0.139 4.100 3.960 0.000 0.000 0.232 118 G HA3 0.139 4.100 3.960 0.000 0.000 0.232 118 G C 0.398 175.628 174.900 0.550 0.000 0.986 118 G CA 0.195 45.576 45.100 0.468 0.000 0.643 118 G HN 1.527 nan 8.290 nan 0.000 0.522 119 A N -0.106 122.910 122.820 0.326 0.000 2.462 119 A HA 0.658 4.979 4.320 0.000 0.000 0.243 119 A C 1.273 178.845 177.584 -0.020 0.000 1.076 119 A CA 0.695 52.661 52.037 -0.119 0.000 0.773 119 A CB 0.468 19.149 19.000 -0.532 0.000 1.010 119 A HN 0.133 nan 8.150 nan 0.000 0.493 120 K N 0.139 120.527 120.400 -0.020 0.000 2.354 120 K HA 0.172 4.492 4.320 0.000 0.000 0.194 120 K C -0.607 176.139 176.600 0.242 0.000 1.038 120 K CA 0.695 57.044 56.287 0.104 0.000 1.052 120 K CB 0.018 32.618 32.500 0.166 0.000 0.861 120 K HN 0.810 nan 8.250 nan 0.000 0.535 121 Y N -3.302 116.993 120.300 -0.007 0.000 2.609 121 Y HA 0.645 5.195 4.550 0.000 0.000 0.336 121 Y C -0.978 174.881 175.900 -0.068 0.000 1.129 121 Y CA -1.538 56.583 58.100 0.035 0.000 1.040 121 Y CB 1.231 39.822 38.460 0.217 0.000 1.310 121 Y HN -0.326 nan 8.280 nan 0.000 0.460 122 V N 3.891 123.851 119.914 0.078 0.000 2.686 122 V HA 0.508 4.628 4.120 0.000 0.000 0.306 122 V C -0.685 175.377 176.094 -0.054 0.000 1.065 122 V CA -0.773 61.480 62.300 -0.077 0.000 0.894 122 V CB 1.874 33.748 31.823 0.084 0.000 1.004 122 V HN 0.761 nan 8.190 nan 0.000 0.424 123 I N 6.938 127.433 120.570 -0.124 0.000 2.493 123 I HA 0.391 4.561 4.170 0.000 0.000 0.279 123 I C -2.641 173.505 176.117 0.048 0.000 1.045 123 I CA -1.611 59.618 61.300 -0.119 0.000 1.106 123 I CB 2.769 40.649 38.000 -0.200 0.000 1.216 123 I HN 0.433 nan 8.210 nan 0.000 0.459 124 P HA 0.216 nan 4.420 nan 0.000 0.285 124 P C -0.364 177.067 177.300 0.219 0.000 1.269 124 P CA -0.412 62.827 63.100 0.232 0.000 0.844 124 P CB 1.095 33.034 31.700 0.399 0.000 1.094 125 T N -2.188 112.446 114.554 0.134 0.000 2.775 125 T HA 0.133 4.484 4.350 0.000 0.000 0.287 125 T C 1.422 176.318 174.700 0.327 0.000 0.909 125 T CA -0.022 62.170 62.100 0.153 0.000 1.081 125 T CB -0.886 67.900 68.868 -0.137 0.000 0.891 125 T HN 0.526 nan 8.240 nan 0.000 0.544 126 T N 0.192 114.997 114.554 0.420 0.000 2.821 126 T HA 0.024 4.374 4.350 0.000 0.000 0.267 126 T C 0.611 175.664 174.700 0.589 0.000 1.046 126 T CA 0.504 62.893 62.100 0.481 0.000 1.139 126 T CB -0.085 68.990 68.868 0.344 0.000 0.871 126 T HN 0.673 nan 8.240 nan 0.000 0.454 127 K N 0.360 121.065 120.400 0.509 0.000 2.616 127 K HA 0.189 4.510 4.320 0.000 0.000 0.255 127 K C -1.324 175.428 176.600 0.253 0.000 0.995 127 K CA -0.669 55.825 56.287 0.345 0.000 0.860 127 K CB 1.424 34.102 32.500 0.296 0.000 1.264 127 K HN 0.337 nan 8.250 nan 0.000 0.451 128 H N 1.775 120.940 119.070 0.159 0.000 2.584 128 H HA 0.184 4.740 4.556 0.000 0.000 0.299 128 H C 0.827 176.050 175.328 -0.174 0.000 1.548 128 H CA 0.111 56.158 56.048 -0.002 0.000 1.544 128 H CB 0.940 30.637 29.762 -0.109 0.000 1.732 128 H HN 0.673 nan 8.280 nan 0.000 0.813 129 H N 0.192 118.912 119.070 -0.582 0.000 2.422 129 H HA -0.143 4.414 4.556 0.000 0.000 0.298 129 H C 1.572 176.246 175.328 -1.091 0.000 1.098 129 H CA 1.480 56.826 56.048 -1.170 0.000 1.315 129 H CB -0.412 28.085 29.762 -2.108 0.000 1.382 129 H HN 0.598 nan 8.280 nan 0.000 0.523 130 D N -0.562 119.649 120.400 -0.314 0.000 2.312 130 D HA -0.016 4.624 4.640 0.000 0.000 0.211 130 D C 1.739 178.282 176.300 0.405 0.000 0.964 130 D CA 1.070 55.215 54.000 0.241 0.000 0.877 130 D CB -0.444 40.711 40.800 0.592 0.000 0.924 130 D HN 0.443 nan 8.370 nan 0.000 0.515 131 G N -0.429 108.560 108.800 0.315 0.000 2.176 131 G HA2 -0.279 3.681 3.960 0.000 0.000 0.253 131 G HA3 -0.279 3.681 3.960 0.000 0.000 0.253 131 G C -0.042 175.198 174.900 0.567 0.000 0.979 131 G CA 0.013 45.366 45.100 0.422 0.000 0.641 131 G HN 0.429 nan 8.290 nan 0.000 0.530 132 F N 2.352 122.511 119.950 0.349 0.000 2.467 132 F HA 0.540 5.068 4.527 0.000 0.000 0.362 132 F C 0.917 176.714 175.800 -0.005 0.000 1.090 132 F CA -0.605 57.345 58.000 -0.084 0.000 1.202 132 F CB 0.417 39.181 39.000 -0.394 0.000 1.113 132 F HN 0.200 nan 8.300 nan 0.000 0.541 133 C N 7.398 126.310 119.300 -0.648 0.000 2.350 133 C HA 0.307 4.767 4.460 0.000 0.000 0.348 133 C C 1.217 175.873 174.990 -0.555 0.000 1.260 133 C CA -0.980 57.775 59.018 -0.438 0.000 1.966 133 C CB 0.621 27.918 27.740 -0.738 0.000 2.380 133 C HN 0.760 nan 8.230 nan 0.000 0.535 134 L N 2.106 123.349 121.223 0.033 0.000 2.688 134 L HA 0.202 4.542 4.340 0.000 0.000 0.234 134 L C -0.048 176.972 176.870 0.251 0.000 1.192 134 L CA 0.302 55.188 54.840 0.078 0.000 0.984 134 L CB -0.835 41.331 42.059 0.178 0.000 1.232 134 L HN 0.896 nan 8.230 nan 0.000 0.465 135 W N -2.364 118.909 121.300 -0.045 0.000 3.018 135 W HA 0.619 5.279 4.660 0.000 0.000 0.352 135 W C 0.280 176.820 176.519 0.035 0.000 1.230 135 W CA -1.238 56.139 57.345 0.053 0.000 1.162 135 W CB 0.703 30.282 29.460 0.200 0.000 1.483 135 W HN -0.129 nan 8.180 nan 0.000 0.584 136 G N 1.894 110.763 108.800 0.116 0.000 3.401 136 G HA2 0.285 4.245 3.960 0.000 0.000 0.251 136 G HA3 0.285 4.245 3.960 0.000 0.000 0.251 136 G C -0.050 174.757 174.900 -0.154 0.000 0.960 136 G CA 0.062 45.130 45.100 -0.052 0.000 1.900 136 G HN 0.580 nan 8.290 nan 0.000 0.645 137 T N -0.077 114.109 114.554 -0.613 0.000 2.932 137 T HA 0.154 4.504 4.350 0.000 0.000 0.312 137 T C 1.498 176.050 174.700 -0.248 0.000 1.071 137 T CA 0.003 61.848 62.100 -0.425 0.000 1.128 137 T CB 0.435 68.852 68.868 -0.752 0.000 0.984 137 T HN 0.565 nan 8.240 nan 0.000 0.549 138 K N 3.027 123.237 120.400 -0.317 0.000 2.437 138 K HA 0.140 4.460 4.320 0.000 0.000 0.205 138 K C 0.039 176.347 176.600 -0.486 0.000 1.026 138 K CA 0.049 56.096 56.287 -0.401 0.000 1.153 138 K CB 0.174 32.424 32.500 -0.417 0.000 0.863 138 K HN 0.677 nan 8.250 nan 0.000 0.502 139 Y N 0.386 120.744 120.300 0.098 0.000 2.481 139 Y HA 0.193 4.744 4.550 0.000 0.000 0.247 139 Y C 0.481 176.570 175.900 0.315 0.000 1.151 139 Y CA -0.542 57.695 58.100 0.228 0.000 1.238 139 Y CB 1.633 40.260 38.460 0.279 0.000 1.179 139 Y HN 0.080 nan 8.280 nan 0.000 0.524 140 T N -1.082 113.633 114.554 0.268 0.000 2.942 140 T HA 0.186 4.536 4.350 0.000 0.000 0.327 140 T C -0.900 173.847 174.700 0.080 0.000 1.360 140 T CA -0.565 61.656 62.100 0.202 0.000 1.055 140 T CB 1.262 70.318 68.868 0.312 0.000 1.261 140 T HN -0.094 nan 8.240 nan 0.000 0.485 141 D N 1.709 122.164 120.400 0.092 0.000 2.328 141 D HA 0.194 4.834 4.640 0.000 0.000 0.221 141 D C -0.086 176.301 176.300 0.146 0.000 1.072 141 D CA 0.140 54.181 54.000 0.069 0.000 0.850 141 D CB -0.004 40.834 40.800 0.062 0.000 0.922 141 D HN 0.360 nan 8.370 nan 0.000 0.516 142 F N 2.665 122.610 119.950 -0.008 0.000 2.560 142 F HA 0.229 4.756 4.527 0.000 0.000 0.338 142 F C -0.055 175.621 175.800 -0.206 0.000 1.201 142 F CA -0.877 57.158 58.000 0.059 0.000 1.291 142 F CB -0.781 38.301 39.000 0.136 0.000 1.627 142 F HN -0.154 nan 8.300 nan 0.000 0.588 143 N N -1.693 116.730 118.700 -0.461 0.000 2.902 143 N HA 0.244 4.984 4.740 0.000 0.000 0.268 143 N C 0.258 175.404 175.510 -0.606 0.000 1.450 143 N CA -0.227 52.252 53.050 -0.951 0.000 0.819 143 N CB 0.597 38.712 38.487 -0.619 0.000 1.540 143 N HN -0.110 nan 8.380 nan 0.000 0.545 144 S N -1.331 114.059 115.700 -0.516 0.000 2.481 144 S HA -0.023 4.447 4.470 0.000 0.000 0.231 144 S C 1.336 175.891 174.600 -0.075 0.000 0.996 144 S CA 0.662 58.799 58.200 -0.106 0.000 0.942 144 S CB -0.534 62.602 63.200 -0.106 0.000 0.768 144 S HN 0.345 nan 8.310 nan 0.000 0.520 145 V N 1.889 121.744 119.914 -0.097 0.000 2.407 145 V HA 0.009 4.129 4.120 0.000 0.000 0.245 145 V C 2.539 178.615 176.094 -0.030 0.000 1.041 145 V CA 1.335 63.608 62.300 -0.046 0.000 1.040 145 V CB -0.394 31.408 31.823 -0.036 0.000 0.671 145 V HN 0.418 nan 8.190 nan 0.000 0.455 146 K N -0.170 120.209 120.400 -0.035 0.000 2.211 146 K HA 0.127 4.447 4.320 0.000 0.000 0.201 146 K C 0.859 177.477 176.600 0.029 0.000 1.052 146 K CA 0.417 56.703 56.287 -0.001 0.000 0.973 146 K CB 0.143 32.645 32.500 0.003 0.000 0.766 146 K HN 0.309 nan 8.250 nan 0.000 0.466 147 R N -0.407 120.127 120.500 0.056 0.000 2.856 147 R HA 0.357 4.698 4.340 0.000 0.000 0.258 147 R C 1.023 177.363 176.300 0.066 0.000 1.066 147 R CA 0.051 56.208 56.100 0.096 0.000 1.045 147 R CB 0.453 30.875 30.300 0.202 0.000 1.178 147 R HN 0.218 nan 8.270 nan 0.000 0.499 148 G N 1.943 110.760 108.800 0.028 0.000 2.752 148 G HA2 -0.345 3.615 3.960 0.000 0.000 0.349 148 G HA3 -0.345 3.615 3.960 0.000 0.000 0.349 148 G C -1.395 173.434 174.900 -0.119 0.000 1.181 148 G CA 0.695 45.769 45.100 -0.042 0.000 0.949 148 G HN 0.522 nan 8.290 nan 0.000 0.562 149 P HA 0.083 nan 4.420 nan 0.000 0.222 149 P C 0.517 177.749 177.300 -0.114 0.000 1.147 149 P CA 1.517 64.460 63.100 -0.263 0.000 0.790 149 P CB 0.010 31.445 31.700 -0.440 0.000 0.780 150 K N -0.855 119.503 120.400 -0.070 0.000 3.148 150 K HA -0.207 4.113 4.320 0.000 0.000 0.267 150 K C 0.070 176.661 176.600 -0.015 0.000 0.996 150 K CA 0.819 57.088 56.287 -0.030 0.000 0.737 150 K CB -1.883 30.607 32.500 -0.018 0.000 1.308 150 K HN 0.422 nan 8.250 nan 0.000 0.470 151 R N 0.698 121.185 120.500 -0.022 0.000 2.579 151 R HA 0.094 4.434 4.340 0.000 0.000 0.260 151 R C -1.614 174.707 176.300 0.034 0.000 1.103 151 R CA -0.676 55.438 56.100 0.022 0.000 0.942 151 R CB 1.226 31.551 30.300 0.041 0.000 1.251 151 R HN 0.028 nan 8.270 nan 0.000 0.450 152 D N 5.127 125.586 120.400 0.099 0.000 2.455 152 D HA 0.078 4.718 4.640 0.000 0.000 0.234 152 D C 1.014 177.416 176.300 0.170 0.000 1.224 152 D CA 0.037 54.130 54.000 0.155 0.000 0.999 152 D CB 0.516 41.445 40.800 0.215 0.000 1.072 152 D HN 0.543 nan 8.370 nan 0.000 0.514 153 L N 2.738 124.020 121.223 0.098 0.000 2.056 153 L HA -0.149 4.192 4.340 0.000 0.000 0.207 153 L C 2.342 179.338 176.870 0.210 0.000 1.078 153 L CA 0.511 55.386 54.840 0.058 0.000 0.749 153 L CB -0.247 41.681 42.059 -0.218 0.000 0.901 153 L HN 0.302 nan 8.230 nan 0.000 0.433 154 V N 0.193 120.201 119.914 0.156 0.000 2.307 154 V HA -0.187 3.933 4.120 0.000 0.000 0.245 154 V C 2.595 178.556 176.094 -0.223 0.000 1.045 154 V CA 2.049 64.384 62.300 0.058 0.000 1.024 154 V CB -1.140 30.637 31.823 -0.077 0.000 0.651 154 V HN 0.558 nan 8.190 nan 0.000 0.449 155 G N -0.634 108.019 108.800 -0.247 0.000 2.408 155 G HA2 -0.208 3.752 3.960 0.000 0.000 0.217 155 G HA3 -0.208 3.752 3.960 0.000 0.000 0.217 155 G C 1.217 176.094 174.900 -0.038 0.000 1.150 155 G CA 0.870 45.873 45.100 -0.161 0.000 0.776 155 G HN 0.491 nan 8.290 nan 0.000 0.542 156 D N -0.105 120.349 120.400 0.090 0.000 2.183 156 D HA -0.042 4.598 4.640 0.000 0.000 0.203 156 D C 2.295 178.629 176.300 0.057 0.000 0.969 156 D CA 0.256 54.310 54.000 0.091 0.000 0.842 156 D CB -0.067 40.845 40.800 0.187 0.000 0.957 156 D HN 0.235 nan 8.370 nan 0.000 0.484 157 L N 0.655 121.995 121.223 0.195 0.000 2.109 157 L HA 0.097 4.437 4.340 0.000 0.000 0.207 157 L C 2.013 178.836 176.870 -0.079 0.000 1.086 157 L CA 1.213 56.188 54.840 0.226 0.000 0.760 157 L CB -0.706 41.683 42.059 0.551 0.000 0.910 157 L HN -0.057 nan 8.230 nan 0.000 0.437 158 A N -0.417 122.084 122.820 -0.532 0.000 1.898 158 A HA -0.240 4.081 4.320 0.000 0.000 0.216 158 A C 2.436 179.782 177.584 -0.397 0.000 1.181 158 A CA 1.827 53.214 52.037 -1.082 0.000 0.620 158 A CB -0.557 17.619 19.000 -1.374 0.000 0.819 158 A HN 0.497 nan 8.150 nan 0.000 0.442 159 K N -0.259 120.014 120.400 -0.212 0.000 2.057 159 K HA -0.020 4.300 4.320 0.000 0.000 0.206 159 K C 2.034 178.590 176.600 -0.073 0.000 1.050 159 K CA 1.229 57.455 56.287 -0.102 0.000 0.935 159 K CB -0.310 32.155 32.500 -0.059 0.000 0.715 159 K HN 0.324 nan 8.250 nan 0.000 0.439 160 A N 0.560 123.339 122.820 -0.069 0.000 1.968 160 A HA -0.023 4.297 4.320 0.000 0.000 0.217 160 A C 2.152 179.745 177.584 0.016 0.000 1.169 160 A CA 1.078 53.088 52.037 -0.044 0.000 0.638 160 A CB -0.299 18.654 19.000 -0.078 0.000 0.812 160 A HN 0.171 nan 8.150 nan 0.000 0.446 161 V N -0.131 119.819 119.914 0.059 0.000 2.379 161 V HA -0.180 3.940 4.120 0.000 0.000 0.245 161 V C 2.561 178.711 176.094 0.095 0.000 1.044 161 V CA 2.021 64.410 62.300 0.149 0.000 1.036 161 V CB -0.671 31.329 31.823 0.294 0.000 0.664 161 V HN 0.519 nan 8.190 nan 0.000 0.453 162 R N -0.327 120.197 120.500 0.039 0.000 2.153 162 R HA -0.068 4.273 4.340 0.000 0.000 0.218 162 R C 2.151 178.455 176.300 0.006 0.000 1.072 162 R CA 0.930 57.042 56.100 0.021 0.000 0.990 162 R CB -0.109 30.188 30.300 -0.005 0.000 0.889 162 R HN 0.579 nan 8.270 nan 0.000 0.452 163 E N 0.436 120.635 120.200 -0.002 0.000 2.208 163 E HA -0.077 4.273 4.350 0.000 0.000 0.193 163 E C 1.578 178.179 176.600 0.002 0.000 0.988 163 E CA 0.926 57.322 56.400 -0.008 0.000 0.828 163 E CB 0.116 29.803 29.700 -0.021 0.000 0.763 163 E HN 0.317 nan 8.360 nan 0.000 0.478 164 A N 0.040 122.871 122.820 0.018 0.000 2.238 164 A HA 0.236 4.556 4.320 0.000 0.000 0.208 164 A C 1.637 179.240 177.584 0.031 0.000 1.177 164 A CA 0.810 52.863 52.037 0.027 0.000 0.804 164 A CB -0.212 18.817 19.000 0.048 0.000 0.823 164 A HN 0.316 nan 8.150 nan 0.000 0.482 165 G N -1.396 107.419 108.800 0.026 0.000 2.132 165 G HA2 -0.171 3.789 3.960 0.000 0.000 0.234 165 G HA3 -0.171 3.789 3.960 0.000 0.000 0.234 165 G C -0.056 174.856 174.900 0.020 0.000 0.989 165 G CA 0.255 45.364 45.100 0.015 0.000 0.676 165 G HN 0.413 nan 8.290 nan 0.000 0.522 166 L N 0.094 121.347 121.223 0.049 0.000 2.334 166 L HA 0.656 4.996 4.340 0.000 0.000 0.272 166 L C 0.969 177.878 176.870 0.065 0.000 1.020 166 L CA -1.301 53.580 54.840 0.069 0.000 0.812 166 L CB 1.081 43.213 42.059 0.122 0.000 1.264 166 L HN -0.005 nan 8.230 nan 0.000 0.439 167 R N 1.003 121.521 120.500 0.029 0.000 2.615 167 R HA 0.340 4.681 4.340 0.000 0.000 0.270 167 R C -1.044 175.384 176.300 0.214 0.000 1.081 167 R CA -0.234 55.844 56.100 -0.036 0.000 1.154 167 R CB 0.886 30.922 30.300 -0.441 0.000 1.063 167 R HN 0.367 nan 8.270 nan 0.000 0.519 168 F N 0.050 120.046 119.950 0.077 0.000 2.536 168 F HA 0.512 5.040 4.527 0.000 0.000 0.322 168 F C -0.205 175.728 175.800 0.222 0.000 1.144 168 F CA -0.438 57.657 58.000 0.157 0.000 0.924 168 F CB 1.650 40.724 39.000 0.123 0.000 1.181 168 F HN 0.567 nan 8.300 nan 0.000 0.438 169 G N 3.202 111.763 108.800 -0.398 0.000 2.667 169 G HA2 0.653 4.613 3.960 0.000 0.000 0.310 169 G HA3 0.653 4.613 3.960 0.000 0.000 0.310 169 G C -1.647 172.957 174.900 -0.494 0.000 1.259 169 G CA -0.689 44.291 45.100 -0.201 0.000 1.019 169 G HN 1.087 nan 8.290 nan 0.000 0.496 170 V N -2.291 117.575 119.914 -0.080 0.000 2.623 170 V HA 0.606 4.727 4.120 0.000 0.000 0.304 170 V C -1.066 175.183 176.094 0.259 0.000 1.054 170 V CA -1.290 61.022 62.300 0.020 0.000 0.882 170 V CB 0.980 32.825 31.823 0.037 0.000 1.002 170 V HN 0.796 nan 8.190 nan 0.000 0.424 171 Y N 5.183 125.599 120.300 0.194 0.000 2.304 171 Y HA 0.684 5.235 4.550 0.000 0.000 0.328 171 Y C -1.095 175.002 175.900 0.329 0.000 1.123 171 Y CA -0.340 57.953 58.100 0.321 0.000 1.218 171 Y CB 1.366 39.993 38.460 0.279 0.000 1.207 171 Y HN 0.849 nan 8.280 nan 0.000 0.495 172 Y N 4.348 124.491 120.300 -0.263 0.000 2.396 172 Y HA 0.282 4.832 4.550 0.000 0.000 0.332 172 Y C -0.811 174.858 175.900 -0.384 0.000 1.034 172 Y CA -0.959 57.064 58.100 -0.128 0.000 1.057 172 Y CB 1.822 40.304 38.460 0.038 0.000 1.220 172 Y HN 0.584 nan 8.280 nan 0.000 0.440 173 S N 4.157 119.439 115.700 -0.696 0.000 3.483 173 S HA 0.247 4.717 4.470 0.000 0.000 0.274 173 S C 1.108 175.422 174.600 -0.477 0.000 1.289 173 S CA 0.421 58.332 58.200 -0.482 0.000 0.938 173 S CB -0.602 62.436 63.200 -0.270 0.000 1.453 173 S HN 1.052 nan 8.310 nan 0.000 0.494 174 G N 2.933 111.614 108.800 -0.198 0.000 2.403 174 G HA2 0.002 3.963 3.960 0.000 0.000 0.216 174 G HA3 0.002 3.963 3.960 0.000 0.000 0.216 174 G C 1.232 176.051 174.900 -0.135 0.000 1.154 174 G CA 0.525 45.577 45.100 -0.080 0.000 0.784 174 G HN 0.716 nan 8.290 nan 0.000 0.538 175 G N -0.719 108.013 108.800 -0.113 0.000 2.603 175 G HA2 0.317 4.277 3.960 0.000 0.000 0.214 175 G HA3 0.317 4.277 3.960 0.000 0.000 0.214 175 G C 0.092 174.877 174.900 -0.192 0.000 1.140 175 G CA 0.174 45.209 45.100 -0.110 0.000 0.800 175 G HN 0.277 nan 8.290 nan 0.000 0.533 176 L N 0.710 121.773 121.223 -0.268 0.000 2.385 176 L HA 0.606 4.946 4.340 0.000 0.000 0.273 176 L C -1.759 174.859 176.870 -0.420 0.000 0.990 176 L CA -0.946 53.647 54.840 -0.412 0.000 0.821 176 L CB 2.474 44.123 42.059 -0.683 0.000 1.279 176 L HN -0.105 nan 8.230 nan 0.000 0.412 177 D N 2.653 122.806 120.400 -0.411 0.000 2.613 177 D HA 0.142 4.782 4.640 0.000 0.000 0.230 177 D C -0.313 176.004 176.300 0.029 0.000 1.365 177 D CA -0.226 53.655 54.000 -0.199 0.000 0.976 177 D CB 0.988 41.785 40.800 -0.006 0.000 1.415 177 D HN 0.381 nan 8.370 nan 0.000 0.589 178 W N 2.833 124.161 121.300 0.048 0.000 3.047 178 W HA 0.091 4.751 4.660 0.000 0.000 0.250 178 W C 1.662 178.181 176.519 0.001 0.000 1.314 178 W CA -0.266 57.072 57.345 -0.012 0.000 1.540 178 W CB -0.188 29.237 29.460 -0.059 0.000 1.127 178 W HN 0.339 nan 8.180 nan 0.000 0.679 179 R N -0.087 120.549 120.500 0.227 0.000 2.241 179 R HA -0.093 4.248 4.340 0.000 0.000 0.224 179 R C 1.099 177.244 176.300 -0.258 0.000 1.101 179 R CA 0.791 56.857 56.100 -0.057 0.000 0.995 179 R CB -0.999 29.212 30.300 -0.149 0.000 0.870 179 R HN 0.217 nan 8.270 nan 0.000 0.463 180 F N -0.379 119.537 119.950 -0.056 0.000 2.678 180 F HA 0.127 4.654 4.527 0.000 0.000 0.305 180 F C 1.016 176.768 175.800 -0.081 0.000 1.090 180 F CA -0.102 57.837 58.000 -0.100 0.000 1.272 180 F CB 0.356 39.234 39.000 -0.203 0.000 1.060 180 F HN -0.169 nan 8.300 nan 0.000 0.576 181 T N -4.126 110.486 114.554 0.097 0.000 2.907 181 T HA 0.478 4.828 4.350 0.000 0.000 0.290 181 T C 0.690 175.378 174.700 -0.019 0.000 1.066 181 T CA 0.122 62.240 62.100 0.030 0.000 1.012 181 T CB 2.004 70.888 68.868 0.026 0.000 1.184 181 T HN 0.002 nan 8.240 nan 0.000 0.522 182 T N -2.771 111.753 114.554 -0.051 0.000 2.964 182 T HA 0.295 4.645 4.350 0.000 0.000 0.250 182 T C 0.316 174.949 174.700 -0.111 0.000 0.982 182 T CA -0.040 62.017 62.100 -0.072 0.000 0.959 182 T CB 0.009 68.846 68.868 -0.050 0.000 1.141 182 T HN 0.582 nan 8.240 nan 0.000 0.494 183 E N 3.776 123.908 120.200 -0.114 0.000 2.301 183 E HA 0.488 4.838 4.350 0.000 0.000 0.275 183 E C -2.445 174.012 176.600 -0.239 0.000 1.030 183 E CA -2.389 53.927 56.400 -0.140 0.000 0.852 183 E CB 1.135 30.782 29.700 -0.088 0.000 1.060 183 E HN 0.272 nan 8.360 nan 0.000 0.401 184 P HA 0.230 nan 4.420 nan 0.000 0.278 184 P C -0.537 176.538 177.300 -0.374 0.000 1.266 184 P CA -0.431 62.437 63.100 -0.386 0.000 0.807 184 P CB 0.731 32.216 31.700 -0.357 0.000 1.094 185 I N 2.203 122.512 120.570 -0.435 0.000 2.312 185 I HA 0.236 4.406 4.170 0.000 0.000 0.291 185 I C 1.680 177.383 176.117 -0.690 0.000 1.031 185 I CA -0.070 60.911 61.300 -0.531 0.000 1.293 185 I CB 0.540 38.204 38.000 -0.560 0.000 1.403 185 I HN 0.393 nan 8.210 nan 0.000 0.484 186 R N 4.369 124.470 120.500 -0.666 0.000 2.225 186 R HA 0.169 4.509 4.340 0.000 0.000 0.194 186 R C -0.538 175.160 176.300 -1.004 0.000 0.957 186 R CA 0.588 56.072 56.100 -1.025 0.000 1.042 186 R CB 0.541 30.222 30.300 -1.031 0.000 1.004 186 R HN 0.465 nan 8.270 nan 0.000 0.509 187 Y N -0.988 119.221 120.300 -0.151 0.000 2.609 187 Y HA 0.299 4.850 4.550 0.000 0.000 0.342 187 Y C -1.839 174.054 175.900 -0.012 0.000 1.058 187 Y CA -2.843 55.319 58.100 0.104 0.000 1.055 187 Y CB 0.998 39.539 38.460 0.135 0.000 1.292 187 Y HN -0.222 nan 8.280 nan 0.000 0.476 188 P HA -0.137 nan 4.420 nan 0.000 0.218 188 P C 0.362 177.731 177.300 0.115 0.000 1.148 188 P CA 1.634 64.882 63.100 0.247 0.000 0.822 188 P CB 0.382 32.225 31.700 0.239 0.000 0.784 189 E N -0.307 119.977 120.200 0.141 0.000 2.268 189 E HA -0.134 4.216 4.350 0.000 0.000 0.195 189 E C 1.665 178.318 176.600 0.088 0.000 0.995 189 E CA 0.785 57.253 56.400 0.114 0.000 0.836 189 E CB -0.757 29.013 29.700 0.117 0.000 0.763 189 E HN 0.252 nan 8.360 nan 0.000 0.491 190 D N 0.142 120.542 120.400 0.001 0.000 2.219 190 D HA -0.099 4.542 4.640 0.000 0.000 0.205 190 D C 1.643 177.695 176.300 -0.414 0.000 0.970 190 D CA 0.638 54.465 54.000 -0.288 0.000 0.851 190 D CB -0.006 40.629 40.800 -0.276 0.000 0.943 190 D HN 0.226 nan 8.370 nan 0.000 0.488 191 L N 0.961 122.065 121.223 -0.198 0.000 2.265 191 L HA -0.139 4.201 4.340 0.000 0.000 0.215 191 L C 2.350 179.169 176.870 -0.085 0.000 1.117 191 L CA 0.906 55.667 54.840 -0.132 0.000 0.782 191 L CB -0.380 41.662 42.059 -0.030 0.000 0.914 191 L HN 0.036 nan 8.230 nan 0.000 0.441 192 S N -0.475 115.211 115.700 -0.023 0.000 2.481 192 S HA -0.175 4.295 4.470 0.000 0.000 0.231 192 S C 1.451 176.129 174.600 0.130 0.000 0.996 192 S CA 1.031 59.272 58.200 0.068 0.000 0.942 192 S CB -0.283 62.994 63.200 0.127 0.000 0.768 192 S HN 0.704 nan 8.310 nan 0.000 0.520 193 Y N -1.257 119.033 120.300 -0.017 0.000 2.515 193 Y HA 0.549 5.099 4.550 0.000 0.000 0.267 193 Y C 0.382 176.261 175.900 -0.034 0.000 1.058 193 Y CA -1.025 57.060 58.100 -0.025 0.000 1.231 193 Y CB 0.288 38.737 38.460 -0.019 0.000 1.350 193 Y HN 0.132 nan 8.280 nan 0.000 0.554 194 I N 4.400 124.706 120.570 -0.439 0.000 2.234 194 I HA 0.337 4.507 4.170 0.000 0.000 0.287 194 I C -0.388 175.631 176.117 -0.163 0.000 1.131 194 I CA -0.083 61.033 61.300 -0.306 0.000 1.335 194 I CB -0.317 37.423 38.000 -0.434 0.000 1.511 194 I HN 0.139 nan 8.210 nan 0.000 0.588 195 R N 2.981 123.411 120.500 -0.116 0.000 2.867 195 R HA 0.423 4.763 4.340 0.000 0.000 0.268 195 R C -1.924 174.274 176.300 -0.169 0.000 1.014 195 R CA -1.827 54.183 56.100 -0.149 0.000 0.946 195 R CB 0.832 31.051 30.300 -0.135 0.000 1.208 195 R HN -0.104 nan 8.270 nan 0.000 0.477 196 P HA -0.159 nan 4.420 nan 0.000 0.216 196 P C -0.103 177.104 177.300 -0.156 0.000 1.153 196 P CA 1.285 64.177 63.100 -0.347 0.000 0.858 196 P CB 0.266 31.319 31.700 -1.079 0.000 0.789 197 N N -3.639 114.975 118.700 -0.143 0.000 2.946 197 N HA -0.131 4.609 4.740 0.000 0.000 0.228 197 N C 0.048 175.492 175.510 -0.111 0.000 0.873 197 N CA 1.937 54.932 53.050 -0.092 0.000 1.029 197 N CB -2.254 36.202 38.487 -0.051 0.000 1.047 197 N HN 0.368 nan 8.380 nan 0.000 0.612 198 T N -2.788 111.732 114.554 -0.056 0.000 2.918 198 T HA 0.469 4.819 4.350 0.000 0.000 0.283 198 T C 1.261 175.930 174.700 -0.051 0.000 1.001 198 T CA -0.541 61.541 62.100 -0.030 0.000 1.041 198 T CB 0.856 69.784 68.868 0.100 0.000 1.028 198 T HN 0.097 nan 8.240 nan 0.000 0.511 199 Y N 0.065 120.400 120.300 0.057 0.000 2.274 199 Y HA -0.091 4.459 4.550 0.000 0.000 0.290 199 Y C 2.755 178.684 175.900 0.047 0.000 1.145 199 Y CA 1.634 59.759 58.100 0.041 0.000 1.203 199 Y CB -0.297 38.181 38.460 0.030 0.000 0.984 199 Y HN 0.866 nan 8.280 nan 0.000 0.533 200 E N -0.433 119.905 120.200 0.230 0.000 2.118 200 E HA -0.306 4.044 4.350 0.000 0.000 0.195 200 E C 1.912 178.609 176.600 0.162 0.000 0.992 200 E CA 1.479 57.995 56.400 0.194 0.000 0.804 200 E CB -0.379 29.451 29.700 0.217 0.000 0.741 200 E HN 0.596 nan 8.360 nan 0.000 0.458 201 Y N 0.360 120.629 120.300 -0.051 0.000 2.263 201 Y HA 0.003 4.553 4.550 0.000 0.000 0.292 201 Y C 2.035 177.858 175.900 -0.128 0.000 1.130 201 Y CA 1.304 59.248 58.100 -0.260 0.000 1.179 201 Y CB -0.532 37.599 38.460 -0.549 0.000 0.998 201 Y HN 0.135 nan 8.280 nan 0.000 0.532 202 A N 0.191 122.922 122.820 -0.147 0.000 1.908 202 A HA -0.203 4.117 4.320 0.000 0.000 0.218 202 A C 1.942 179.472 177.584 -0.090 0.000 1.181 202 A CA 2.085 54.015 52.037 -0.178 0.000 0.627 202 A CB -0.815 18.176 19.000 -0.015 0.000 0.818 202 A HN 0.516 nan 8.150 nan 0.000 0.445 203 D N -1.666 118.730 120.400 -0.008 0.000 2.097 203 D HA -0.157 4.483 4.640 0.000 0.000 0.195 203 D C 1.705 178.011 176.300 0.010 0.000 0.989 203 D CA 1.603 55.623 54.000 0.034 0.000 0.827 203 D CB -0.540 40.292 40.800 0.053 0.000 0.966 203 D HN 0.592 nan 8.370 nan 0.000 0.456 204 Y N 1.697 121.887 120.300 -0.184 0.000 2.165 204 Y HA -0.218 4.333 4.550 0.000 0.000 0.286 204 Y C 2.232 177.989 175.900 -0.238 0.000 1.155 204 Y CA 1.781 59.761 58.100 -0.200 0.000 1.164 204 Y CB -0.416 37.968 38.460 -0.127 0.000 0.978 204 Y HN -0.049 nan 8.280 nan 0.000 0.513 205 A N -0.648 121.892 122.820 -0.467 0.000 1.898 205 A HA -0.211 4.109 4.320 0.000 0.000 0.216 205 A C 2.171 179.734 177.584 -0.034 0.000 1.181 205 A CA 1.532 53.315 52.037 -0.423 0.000 0.620 205 A CB -1.601 16.842 19.000 -0.929 0.000 0.819 205 A HN 0.709 nan 8.150 nan 0.000 0.442 206 Y N 0.931 121.251 120.300 0.033 0.000 2.097 206 Y HA -0.224 4.326 4.550 0.000 0.000 0.282 206 Y C 2.224 178.062 175.900 -0.103 0.000 1.152 206 Y CA 2.390 60.567 58.100 0.129 0.000 1.136 206 Y CB -0.205 38.303 38.460 0.079 0.000 0.975 206 Y HN 0.230 nan 8.280 nan 0.000 0.498 207 K N -0.208 120.067 120.400 -0.209 0.000 2.147 207 K HA -0.190 4.130 4.320 0.000 0.000 0.205 207 K C 2.108 178.475 176.600 -0.390 0.000 1.049 207 K CA 1.610 57.627 56.287 -0.450 0.000 0.936 207 K CB -0.174 31.843 32.500 -0.805 0.000 0.722 207 K HN 0.551 nan 8.250 nan 0.000 0.446 208 Q N 0.227 119.819 119.800 -0.347 0.000 2.137 208 Q HA -0.071 4.269 4.340 0.000 0.000 0.198 208 Q C 2.187 178.067 176.000 -0.199 0.000 0.960 208 Q CA 1.003 56.745 55.803 -0.102 0.000 0.847 208 Q CB 0.179 28.828 28.738 -0.148 0.000 0.915 208 Q HN 0.118 nan 8.270 nan 0.000 0.448 209 V N 0.659 120.348 119.914 -0.374 0.000 2.453 209 V HA -0.218 3.903 4.120 0.000 0.000 0.247 209 V C 2.253 178.189 176.094 -0.264 0.000 1.048 209 V CA 1.029 63.129 62.300 -0.333 0.000 1.049 209 V CB -0.386 31.316 31.823 -0.203 0.000 0.672 209 V HN 0.363 nan 8.190 nan 0.000 0.457 210 M N 0.078 119.457 119.600 -0.368 0.000 2.144 210 M HA -0.221 4.259 4.480 0.000 0.000 0.260 210 M C 2.161 178.377 176.300 -0.140 0.000 1.067 210 M CA 1.840 56.922 55.300 -0.363 0.000 1.095 210 M CB -1.035 31.199 32.600 -0.610 0.000 1.365 210 M HN 0.555 nan 8.290 nan 0.000 0.406 211 E N -0.379 119.784 120.200 -0.062 0.000 2.107 211 E HA -0.127 4.223 4.350 0.000 0.000 0.191 211 E C 2.093 178.673 176.600 -0.033 0.000 0.982 211 E CA 0.612 57.054 56.400 0.071 0.000 0.809 211 E CB 0.047 29.945 29.700 0.330 0.000 0.756 211 E HN 0.477 nan 8.360 nan 0.000 0.459 212 L N 0.236 121.388 121.223 -0.118 0.000 2.093 212 L HA -0.152 4.188 4.340 0.000 0.000 0.208 212 L C 2.469 179.340 176.870 0.002 0.000 1.085 212 L CA 0.597 55.357 54.840 -0.134 0.000 0.755 212 L CB -0.261 41.664 42.059 -0.224 0.000 0.904 212 L HN 0.093 nan 8.230 nan 0.000 0.435 213 V N -0.261 119.657 119.914 0.007 0.000 2.295 213 V HA -0.282 3.838 4.120 0.000 0.000 0.246 213 V C 2.085 178.247 176.094 0.113 0.000 1.049 213 V CA 1.901 64.272 62.300 0.118 0.000 1.024 213 V CB -0.460 31.468 31.823 0.175 0.000 0.648 213 V HN 0.425 nan 8.190 nan 0.000 0.447 214 D N -0.324 120.119 120.400 0.071 0.000 2.144 214 D HA -0.100 4.540 4.640 0.000 0.000 0.200 214 D C 1.908 178.161 176.300 -0.079 0.000 0.978 214 D CA 1.014 55.042 54.000 0.047 0.000 0.833 214 D CB -0.079 40.758 40.800 0.062 0.000 0.961 214 D HN 0.227 nan 8.370 nan 0.000 0.470 215 L N -1.000 120.073 121.223 -0.251 0.000 2.127 215 L HA -0.021 4.319 4.340 0.000 0.000 0.203 215 L C 1.388 177.881 176.870 -0.628 0.000 1.080 215 L CA 1.456 55.941 54.840 -0.592 0.000 0.768 215 L CB -0.567 40.822 42.059 -1.118 0.000 0.924 215 L HN 0.151 nan 8.230 nan 0.000 0.444 216 Y N -3.056 117.268 120.300 0.039 0.000 2.499 216 Y HA 0.361 4.911 4.550 0.000 0.000 0.253 216 Y C 0.752 176.719 175.900 0.112 0.000 1.105 216 Y CA -0.840 57.297 58.100 0.061 0.000 1.240 216 Y CB 0.538 39.057 38.460 0.100 0.000 1.289 216 Y HN -0.290 nan 8.280 nan 0.000 0.534 217 L N 2.447 123.799 121.223 0.214 0.000 3.895 217 L HA -0.191 4.149 4.340 0.000 0.000 0.511 217 L C -2.587 174.481 176.870 0.329 0.000 1.222 217 L CA -0.580 54.395 54.840 0.226 0.000 0.739 217 L CB -0.587 41.506 42.059 0.057 0.000 1.425 217 L HN 0.037 nan 8.230 nan 0.000 0.817 218 P HA 0.027 nan 4.420 nan 0.000 0.269 218 P C 0.434 178.086 177.300 0.586 0.000 1.209 218 P CA -0.107 63.263 63.100 0.450 0.000 0.776 218 P CB 0.502 32.381 31.700 0.298 0.000 0.876 219 D N 0.266 120.967 120.400 0.502 0.000 2.317 219 D HA 0.011 4.651 4.640 0.000 0.000 0.211 219 D C 0.270 176.944 176.300 0.623 0.000 0.966 219 D CA 1.151 55.507 54.000 0.593 0.000 0.876 219 D CB 0.282 41.248 40.800 0.276 0.000 0.927 219 D HN 0.101 nan 8.370 nan 0.000 0.519 220 V N 1.379 121.583 119.914 0.484 0.000 2.686 220 V HA 0.247 4.367 4.120 0.000 0.000 0.306 220 V C -0.774 175.515 176.094 0.326 0.000 1.065 220 V CA -0.844 61.718 62.300 0.437 0.000 0.894 220 V CB 2.771 34.868 31.823 0.457 0.000 1.004 220 V HN -0.183 nan 8.190 nan 0.000 0.424 221 L N 3.927 125.315 121.223 0.275 0.000 2.313 221 L HA 0.441 4.781 4.340 0.000 0.000 0.273 221 L C -0.907 176.150 176.870 0.312 0.000 1.028 221 L CA -0.091 54.880 54.840 0.219 0.000 0.871 221 L CB 0.802 42.892 42.059 0.052 0.000 1.242 221 L HN 0.802 nan 8.230 nan 0.000 0.434 222 W N 4.433 125.792 121.300 0.098 0.000 2.253 222 W HA 0.315 4.975 4.660 0.001 0.000 0.348 222 W C 0.667 177.039 176.519 -0.245 0.000 0.920 222 W CA -0.383 56.968 57.345 0.010 0.000 1.518 222 W CB 0.560 30.102 29.460 0.136 0.000 1.446 222 W HN 0.483 nan 8.180 nan 0.000 0.361 223 N N 2.564 120.916 118.700 -0.580 0.000 2.467 223 N HA 0.137 4.877 4.740 0.000 0.000 0.262 223 N C -1.050 174.079 175.510 -0.634 0.000 1.234 223 N CA 0.490 53.060 53.050 -0.799 0.000 0.952 223 N CB 0.863 38.280 38.487 -1.784 0.000 1.158 223 N HN 0.260 nan 8.380 nan 0.000 0.463 224 D N 1.054 121.184 120.400 -0.450 0.000 2.732 224 D HA 0.365 5.006 4.640 0.000 0.000 0.229 224 D C -0.451 175.772 176.300 -0.128 0.000 1.152 224 D CA -0.182 53.684 54.000 -0.224 0.000 0.854 224 D CB 0.753 41.509 40.800 -0.074 0.000 1.590 224 D HN 0.464 nan 8.370 nan 0.000 0.468 225 M N 1.160 120.733 119.600 -0.045 0.000 2.818 225 M HA -0.093 4.387 4.480 0.000 0.000 0.204 225 M C 0.566 176.846 176.300 -0.032 0.000 0.552 225 M CA 1.152 56.436 55.300 -0.026 0.000 0.687 225 M CB -2.508 30.045 32.600 -0.077 0.000 2.512 225 M HN 0.908 nan 8.290 nan 0.000 0.563 226 G N -0.433 108.348 108.800 -0.032 0.000 2.855 226 G HA2 -0.202 3.758 3.960 0.000 0.000 0.352 226 G HA3 -0.202 3.758 3.960 0.000 0.000 0.352 226 G C -0.677 174.328 174.900 0.176 0.000 1.415 226 G CA -0.100 45.037 45.100 0.061 0.000 0.871 226 G HN 0.724 nan 8.290 nan 0.000 0.543 227 W N 1.456 122.793 121.300 0.061 0.000 2.666 227 W HA 0.538 5.199 4.660 0.000 0.000 0.334 227 W C -1.880 174.704 176.519 0.109 0.000 1.051 227 W CA -1.783 55.638 57.345 0.127 0.000 1.224 227 W CB 2.052 31.660 29.460 0.246 0.000 1.405 227 W HN 0.607 nan 8.180 nan 0.000 0.513 228 P HA -0.128 nan 4.420 nan 0.000 0.263 228 P C 0.397 177.741 177.300 0.074 0.000 1.175 228 P CA 0.830 63.884 63.100 -0.077 0.000 0.761 228 P CB 0.897 32.502 31.700 -0.159 0.000 0.794 229 E N 2.882 123.117 120.200 0.059 0.000 2.097 229 E HA -0.228 4.123 4.350 0.000 0.000 0.196 229 E C 1.577 178.232 176.600 0.093 0.000 1.000 229 E CA 1.812 58.263 56.400 0.084 0.000 0.804 229 E CB -0.193 29.530 29.700 0.039 0.000 0.740 229 E HN 0.418 nan 8.360 nan 0.000 0.454 230 K N -1.492 118.927 120.400 0.032 0.000 2.283 230 K HA -0.014 4.306 4.320 0.000 0.000 0.202 230 K C 1.666 178.346 176.600 0.134 0.000 1.048 230 K CA 1.025 57.337 56.287 0.043 0.000 0.948 230 K CB 0.106 32.535 32.500 -0.118 0.000 0.742 230 K HN 0.173 nan 8.250 nan 0.000 0.458 231 G N 0.274 109.187 108.800 0.188 0.000 3.233 231 G HA2 -0.028 3.932 3.960 0.000 0.000 0.234 231 G HA3 -0.028 3.932 3.960 0.000 0.000 0.234 231 G C 0.836 176.019 174.900 0.472 0.000 1.137 231 G CA -0.267 45.033 45.100 0.334 0.000 0.763 231 G HN 0.085 nan 8.290 nan 0.000 0.549 232 K N 0.571 121.208 120.400 0.396 0.000 2.097 232 K HA -0.049 4.271 4.320 0.000 0.000 0.206 232 K C 1.924 178.648 176.600 0.206 0.000 1.049 232 K CA 0.829 57.304 56.287 0.313 0.000 0.933 232 K CB 0.105 32.762 32.500 0.262 0.000 0.717 232 K HN 0.131 nan 8.250 nan 0.000 0.442 233 E N 1.027 121.332 120.200 0.175 0.000 2.274 233 E HA -0.129 4.221 4.350 0.000 0.000 0.194 233 E C 1.225 177.831 176.600 0.011 0.000 0.996 233 E CA 0.823 57.279 56.400 0.094 0.000 0.840 233 E CB -0.049 29.708 29.700 0.096 0.000 0.772 233 E HN 0.277 nan 8.360 nan 0.000 0.491 234 D N 0.518 120.951 120.400 0.055 0.000 2.263 234 D HA -0.110 4.530 4.640 0.000 0.000 0.208 234 D C 1.915 178.179 176.300 -0.061 0.000 0.971 234 D CA 0.496 54.518 54.000 0.037 0.000 0.867 234 D CB -0.118 40.640 40.800 -0.070 0.000 0.929 234 D HN 0.223 nan 8.370 nan 0.000 0.492 235 L N 0.293 121.328 121.223 -0.313 0.000 2.313 235 L HA -0.084 4.256 4.340 0.000 0.000 0.214 235 L C 1.989 178.317 176.870 -0.904 0.000 1.119 235 L CA 0.730 55.098 54.840 -0.786 0.000 0.809 235 L CB -0.175 41.254 42.059 -1.050 0.000 0.933 235 L HN 0.012 nan 8.230 nan 0.000 0.449 236 K N -0.410 119.453 120.400 -0.895 0.000 2.147 236 K HA -0.174 4.146 4.320 0.000 0.000 0.205 236 K C 1.715 177.906 176.600 -0.682 0.000 1.049 236 K CA 1.543 57.169 56.287 -1.103 0.000 0.936 236 K CB -0.536 31.051 32.500 -1.521 0.000 0.722 236 K HN 0.211 nan 8.250 nan 0.000 0.446 237 Y N 0.824 120.923 120.300 -0.335 0.000 2.206 237 Y HA -0.027 4.524 4.550 0.000 0.000 0.292 237 Y C 2.288 178.140 175.900 -0.081 0.000 1.123 237 Y CA 0.573 58.580 58.100 -0.154 0.000 1.142 237 Y CB -0.294 38.101 38.460 -0.107 0.000 1.006 237 Y HN -0.058 nan 8.280 nan 0.000 0.518 238 L N -0.792 120.429 121.223 -0.003 0.000 2.046 238 L HA -0.213 4.128 4.340 0.000 0.000 0.208 238 L C 2.075 178.949 176.870 0.006 0.000 1.077 238 L CA 1.530 56.325 54.840 -0.075 0.000 0.747 238 L CB -0.392 41.498 42.059 -0.281 0.000 0.896 238 L HN 0.231 nan 8.230 nan 0.000 0.432 239 F N -0.805 118.950 119.950 -0.324 0.000 2.146 239 F HA -0.189 4.338 4.527 0.000 0.000 0.298 239 F C 2.579 178.104 175.800 -0.458 0.000 1.096 239 F CA 0.265 57.950 58.000 -0.525 0.000 1.275 239 F CB -0.357 38.322 39.000 -0.535 0.000 1.008 239 F HN 0.233 nan 8.300 nan 0.000 0.480 240 A N -0.161 122.651 122.820 -0.015 0.000 1.873 240 A HA -0.275 4.045 4.320 0.000 0.000 0.215 240 A C 1.881 179.553 177.584 0.148 0.000 1.186 240 A CA 1.364 53.444 52.037 0.072 0.000 0.616 240 A CB -1.437 17.602 19.000 0.065 0.000 0.823 240 A HN 0.504 nan 8.150 nan 0.000 0.442 241 Y N -1.162 119.165 120.300 0.044 0.000 2.165 241 Y HA -0.323 4.228 4.550 0.000 0.000 0.286 241 Y C 2.238 178.194 175.900 0.094 0.000 1.155 241 Y CA 2.247 60.389 58.100 0.070 0.000 1.164 241 Y CB -0.558 37.937 38.460 0.058 0.000 0.978 241 Y HN 0.478 nan 8.280 nan 0.000 0.513 242 Y N -1.084 119.241 120.300 0.041 0.000 2.133 242 Y HA -0.332 4.218 4.550 0.000 0.000 0.287 242 Y C 2.031 177.907 175.900 -0.040 0.000 1.134 242 Y CA 1.785 59.852 58.100 -0.056 0.000 1.133 242 Y CB -0.698 37.646 38.460 -0.194 0.000 0.987 242 Y HN 0.107 nan 8.280 nan 0.000 0.502 243 Y N 0.794 120.944 120.300 -0.251 0.000 2.274 243 Y HA -0.224 4.327 4.550 0.000 0.000 0.290 243 Y C 2.247 178.125 175.900 -0.037 0.000 1.145 243 Y CA 1.125 59.004 58.100 -0.368 0.000 1.203 243 Y CB -1.004 37.070 38.460 -0.644 0.000 0.984 243 Y HN 0.291 nan 8.280 nan 0.000 0.533 244 N N 0.156 118.967 118.700 0.185 0.000 2.331 244 N HA -0.106 4.635 4.740 0.000 0.000 0.180 244 N C 1.516 177.038 175.510 0.020 0.000 1.019 244 N CA 1.044 54.175 53.050 0.134 0.000 0.881 244 N CB -0.159 38.383 38.487 0.091 0.000 0.972 244 N HN 0.387 nan 8.380 nan 0.000 0.435 245 K N -0.929 119.438 120.400 -0.055 0.000 2.305 245 K HA -0.012 4.308 4.320 0.000 0.000 0.199 245 K C 0.019 176.655 176.600 0.060 0.000 1.047 245 K CA 0.562 56.815 56.287 -0.057 0.000 0.976 245 K CB 0.227 32.642 32.500 -0.141 0.000 0.765 245 K HN 0.111 nan 8.250 nan 0.000 0.474 246 H N -0.620 118.388 119.070 -0.102 0.000 2.809 246 H HA 0.192 4.748 4.556 0.000 0.000 0.268 246 H C -2.698 172.585 175.328 -0.075 0.000 1.403 246 H CA -2.318 53.667 56.048 -0.104 0.000 1.564 246 H CB 0.927 30.591 29.762 -0.164 0.000 1.834 246 H HN -0.151 nan 8.280 nan 0.000 0.613 247 P HA -0.084 nan 4.420 nan 0.000 0.220 247 P C 0.736 178.046 177.300 0.017 0.000 1.148 247 P CA 1.136 64.292 63.100 0.093 0.000 0.803 247 P CB 0.446 32.240 31.700 0.157 0.000 0.782 248 E N -0.466 119.669 120.200 -0.107 0.000 2.502 248 E HA 0.104 4.455 4.350 0.000 0.000 0.194 248 E C 1.240 177.755 176.600 -0.142 0.000 1.062 248 E CA -0.303 56.104 56.400 0.012 0.000 0.867 248 E CB -0.259 29.583 29.700 0.238 0.000 0.888 248 E HN 0.202 nan 8.360 nan 0.000 0.510 249 G N 1.124 109.452 108.800 -0.786 0.000 2.636 249 G HA2 0.230 4.190 3.960 0.000 0.000 0.246 249 G HA3 0.230 4.190 3.960 0.000 0.000 0.246 249 G C -0.088 174.921 174.900 0.182 0.000 1.216 249 G CA -0.134 44.736 45.100 -0.383 0.000 0.854 249 G HN 0.159 nan 8.290 nan 0.000 0.572 250 S N -1.831 114.127 115.700 0.430 0.000 2.651 250 S HA 0.755 5.225 4.470 0.000 0.000 0.279 250 S C -1.347 173.439 174.600 0.310 0.000 1.148 250 S CA -0.826 57.575 58.200 0.337 0.000 0.837 250 S CB 2.324 65.573 63.200 0.081 0.000 1.138 250 S HN 0.927 nan 8.310 nan 0.000 0.478 251 V N 2.749 122.729 119.914 0.110 0.000 2.711 251 V HA 0.446 4.566 4.120 0.000 0.000 0.304 251 V C -0.615 175.277 176.094 -0.337 0.000 1.097 251 V CA -0.756 61.493 62.300 -0.084 0.000 0.906 251 V CB 1.953 33.465 31.823 -0.519 0.000 1.015 251 V HN 1.135 nan 8.190 nan 0.000 0.427 252 N N 3.606 122.051 118.700 -0.425 0.000 2.381 252 N HA 0.168 4.908 4.740 0.000 0.000 0.289 252 N C 0.133 175.400 175.510 -0.404 0.000 1.288 252 N CA 0.077 52.501 53.050 -1.042 0.000 0.960 252 N CB 0.429 38.136 38.487 -1.300 0.000 1.116 252 N HN 0.694 nan 8.380 nan 0.000 0.557 253 D N -2.227 117.830 120.400 -0.572 0.000 2.559 253 D HA 0.113 4.753 4.640 0.000 0.000 0.234 253 D C -0.152 175.960 176.300 -0.313 0.000 1.226 253 D CA -0.217 53.543 54.000 -0.401 0.000 0.830 253 D CB -0.245 40.025 40.800 -0.883 0.000 1.028 253 D HN 0.487 nan 8.370 nan 0.000 0.492 254 R N 0.114 120.360 120.500 -0.424 0.000 2.791 254 R HA 0.221 4.561 4.340 0.000 0.000 0.357 254 R C -0.160 175.932 176.300 -0.346 0.000 1.173 254 R CA -0.296 55.561 56.100 -0.404 0.000 1.060 254 R CB -0.052 29.925 30.300 -0.538 0.000 1.406 254 R HN 0.168 nan 8.270 nan 0.000 0.580 255 W N -0.270 121.016 121.300 -0.023 0.000 3.013 255 W HA 0.264 4.924 4.660 0.000 0.000 0.280 255 W C 1.277 177.850 176.519 0.089 0.000 1.249 255 W CA 0.312 57.709 57.345 0.086 0.000 1.577 255 W CB 0.395 29.885 29.460 0.049 0.000 1.057 255 W HN 0.281 nan 8.180 nan 0.000 0.613 256 G N 1.526 110.457 108.800 0.218 0.000 2.225 256 G HA2 -0.087 3.873 3.960 0.000 0.000 0.264 256 G HA3 -0.087 3.873 3.960 0.000 0.000 0.264 256 G C -0.239 174.705 174.900 0.074 0.000 1.060 256 G CA 0.223 45.395 45.100 0.120 0.000 0.833 256 G HN 0.560 nan 8.290 nan 0.000 0.498 257 V N -4.454 115.477 119.914 0.029 0.000 3.141 257 V HA 0.885 5.006 4.120 0.000 0.000 0.312 257 V C -0.909 174.984 176.094 -0.335 0.000 1.157 257 V CA -1.448 60.703 62.300 -0.247 0.000 1.041 257 V CB 1.463 33.045 31.823 -0.402 0.000 1.071 257 V HN -0.045 nan 8.190 nan 0.000 0.441 258 P HA -0.033 nan 4.420 nan 0.000 0.221 258 P C 0.014 177.133 177.300 -0.301 0.000 1.145 258 P CA 1.436 64.249 63.100 -0.479 0.000 0.795 258 P CB -0.215 31.074 31.700 -0.686 0.000 0.775 259 H N 0.056 118.898 119.070 -0.380 0.000 2.459 259 H HA 0.425 4.981 4.556 0.000 0.000 0.332 259 H C -0.799 174.514 175.328 -0.024 0.000 1.094 259 H CA -0.849 55.091 56.048 -0.179 0.000 1.224 259 H CB 0.517 30.361 29.762 0.135 0.000 1.449 259 H HN 0.025 nan 8.280 nan 0.000 0.484 260 W N 4.063 124.881 121.300 -0.804 0.000 3.146 260 W HA 0.273 4.933 4.660 0.000 0.000 0.319 260 W C -1.137 175.006 176.519 -0.627 0.000 1.258 260 W CA -0.676 56.240 57.345 -0.715 0.000 1.189 260 W CB 0.826 30.064 29.460 -0.371 0.000 1.412 260 W HN 0.419 nan 8.180 nan 0.000 0.567 261 D N 0.992 121.330 120.400 -0.104 0.000 2.323 261 D HA 0.109 4.749 4.640 0.000 0.000 0.218 261 D C 0.131 176.692 176.300 0.434 0.000 0.973 261 D CA 1.307 55.356 54.000 0.082 0.000 0.890 261 D CB 0.662 41.526 40.800 0.106 0.000 1.011 261 D HN 0.254 nan 8.370 nan 0.000 0.499 262 F N -0.752 119.386 119.950 0.313 0.000 2.619 262 F HA 0.534 5.061 4.527 0.000 0.000 0.308 262 F C -0.441 175.381 175.800 0.036 0.000 1.097 262 F CA -1.351 56.829 58.000 0.300 0.000 0.953 262 F CB 1.320 40.408 39.000 0.146 0.000 1.287 262 F HN -0.515 nan 8.300 nan 0.000 0.446 263 K N 0.878 121.298 120.400 0.033 0.000 2.098 263 K HA 0.703 5.023 4.320 0.000 0.000 0.244 263 K C -0.249 176.478 176.600 0.211 0.000 1.014 263 K CA -0.440 55.693 56.287 -0.256 0.000 0.917 263 K CB 1.696 33.987 32.500 -0.348 0.000 1.072 263 K HN 0.930 nan 8.250 nan 0.000 0.477 264 T N -2.708 111.908 114.554 0.103 0.000 2.858 264 T HA 0.841 5.191 4.350 0.000 0.000 0.285 264 T C -1.118 173.782 174.700 0.334 0.000 1.052 264 T CA -1.058 61.238 62.100 0.326 0.000 1.009 264 T CB 1.878 70.870 68.868 0.206 0.000 1.241 264 T HN 0.644 nan 8.240 nan 0.000 0.542 265 A N 0.204 123.283 122.820 0.432 0.000 2.583 265 A HA 0.672 4.992 4.320 0.000 0.000 0.298 265 A C -1.113 176.715 177.584 0.407 0.000 1.055 265 A CA -0.861 51.425 52.037 0.416 0.000 0.714 265 A CB 1.035 20.346 19.000 0.518 0.000 1.277 265 A HN 0.864 nan 8.150 nan 0.000 0.406 275 L N 2.289 123.499 121.223 -0.021 0.000 2.333 275 L HA 0.621 4.961 4.340 0.000 0.000 0.280 275 L C -2.120 174.722 176.870 -0.046 0.000 1.004 275 L CA -1.542 53.291 54.840 -0.011 0.000 0.820 275 L CB 1.739 43.809 42.059 0.019 0.000 1.247 275 L HN 0.084 nan 8.230 nan 0.000 0.416 276 P HA 0.144 nan 4.420 nan 0.000 0.268 276 P C 0.667 177.877 177.300 -0.150 0.000 1.205 276 P CA -0.248 62.685 63.100 -0.279 0.000 0.771 276 P CB 0.985 32.268 31.700 -0.694 0.000 0.858 277 G N 0.824 109.588 108.800 -0.060 0.000 2.603 277 G HA2 0.019 3.979 3.960 0.000 0.000 0.214 277 G HA3 0.019 3.979 3.960 0.000 0.000 0.214 277 G C 0.124 175.112 174.900 0.148 0.000 1.140 277 G CA 0.146 45.286 45.100 0.068 0.000 0.800 277 G HN 0.624 nan 8.290 nan 0.000 0.533 278 Y N -0.386 120.050 120.300 0.228 0.000 2.392 278 Y HA 0.781 5.331 4.550 0.000 0.000 0.323 278 Y C 0.238 176.374 175.900 0.394 0.000 1.291 278 Y CA -2.119 56.170 58.100 0.315 0.000 1.345 278 Y CB 0.832 39.567 38.460 0.458 0.000 1.320 278 Y HN -0.170 nan 8.280 nan 0.000 0.518 279 K N 2.767 123.523 120.400 0.593 0.000 2.143 279 K HA 0.337 4.657 4.320 0.000 0.000 0.272 279 K C -1.210 175.844 176.600 0.756 0.000 1.001 279 K CA -0.616 55.979 56.287 0.513 0.000 0.915 279 K CB 0.429 33.174 32.500 0.408 0.000 1.047 279 K HN 0.844 nan 8.250 nan 0.000 0.458 280 W N 1.857 123.384 121.300 0.379 0.000 3.038 280 W HA 0.603 5.263 4.660 0.001 0.000 0.347 280 W C -1.372 175.388 176.519 0.402 0.000 1.219 280 W CA -0.830 56.772 57.345 0.428 0.000 1.142 280 W CB 0.740 30.404 29.460 0.341 0.000 1.484 280 W HN 0.635 nan 8.180 nan 0.000 0.586 281 E N 1.434 121.978 120.200 0.574 0.000 2.294 281 E HA 0.287 4.637 4.350 0.000 0.000 0.272 281 E C -2.193 174.748 176.600 0.569 0.000 0.896 281 E CA -0.613 56.005 56.400 0.363 0.000 0.802 281 E CB 2.018 32.031 29.700 0.522 0.000 1.267 281 E HN 0.291 nan 8.360 nan 0.000 0.406 282 F N 3.651 123.762 119.950 0.268 0.000 2.438 282 F HA 0.315 4.842 4.527 0.000 0.000 0.356 282 F C -0.076 175.921 175.800 0.328 0.000 1.099 282 F CA 0.204 58.438 58.000 0.390 0.000 1.185 282 F CB 1.410 40.622 39.000 0.354 0.000 1.115 282 F HN 0.256 nan 8.300 nan 0.000 0.526 283 T N 7.218 121.671 114.554 -0.168 0.000 2.807 283 T HA 0.743 5.093 4.350 0.000 0.000 0.279 283 T C -0.937 173.568 174.700 -0.325 0.000 0.993 283 T CA -0.595 61.465 62.100 -0.067 0.000 0.970 283 T CB 0.561 69.623 68.868 0.323 0.000 0.950 283 T HN 0.960 nan 8.240 nan 0.000 0.441 284 R N 2.123 122.533 120.500 -0.151 0.000 2.664 284 R HA 0.673 5.013 4.340 0.000 0.000 0.266 284 R C -0.337 175.852 176.300 -0.185 0.000 1.046 284 R CA -1.118 54.870 56.100 -0.186 0.000 0.885 284 R CB 0.425 30.553 30.300 -0.286 0.000 1.254 284 R HN 0.758 nan 8.270 nan 0.000 0.465 285 G N 1.037 109.539 108.800 -0.497 0.000 2.528 285 G HA2 0.360 4.320 3.960 0.000 0.000 0.289 285 G HA3 0.360 4.320 3.960 0.000 0.000 0.289 285 G C 0.642 175.400 174.900 -0.237 0.000 1.192 285 G CA -1.090 43.733 45.100 -0.462 0.000 0.921 285 G HN 0.595 nan 8.290 nan 0.000 0.512 286 I N 0.609 121.079 120.570 -0.167 0.000 2.226 286 I HA -0.023 4.148 4.170 0.000 0.000 0.245 286 I C 2.081 178.131 176.117 -0.111 0.000 1.100 286 I CA 1.325 62.566 61.300 -0.099 0.000 1.374 286 I CB -0.282 37.679 38.000 -0.064 0.000 1.057 286 I HN 0.517 nan 8.210 nan 0.000 0.413 287 G N -0.405 108.300 108.800 -0.159 0.000 2.641 287 G HA2 0.311 4.271 3.960 0.000 0.000 0.239 287 G HA3 0.311 4.271 3.960 0.000 0.000 0.239 287 G C 0.314 175.086 174.900 -0.214 0.000 1.402 287 G CA -0.345 44.668 45.100 -0.144 0.000 1.046 287 G HN 0.066 nan 8.290 nan 0.000 0.565 288 L N -0.314 120.794 121.223 -0.192 0.000 2.145 288 L HA 0.320 4.660 4.340 0.000 0.000 0.201 288 L C 1.657 178.321 176.870 -0.343 0.000 1.075 288 L CA 1.141 55.867 54.840 -0.189 0.000 0.773 288 L CB -0.503 41.499 42.059 -0.095 0.000 0.936 288 L HN 0.429 nan 8.230 nan 0.000 0.451 289 S N -1.562 113.937 115.700 -0.334 0.000 2.585 289 S HA 0.152 4.622 4.470 0.000 0.000 0.273 289 S C 0.905 175.142 174.600 -0.605 0.000 1.339 289 S CA -0.250 57.713 58.200 -0.394 0.000 1.028 289 S CB 0.262 63.318 63.200 -0.239 0.000 0.906 289 S HN 0.266 nan 8.310 nan 0.000 0.528 290 F N 2.214 121.799 119.950 -0.608 0.000 2.274 290 F HA 0.294 4.821 4.527 0.000 0.000 0.288 290 F C 1.908 177.445 175.800 -0.438 0.000 1.069 290 F CA 0.599 58.163 58.000 -0.728 0.000 1.343 290 F CB -0.717 37.475 39.000 -1.346 0.000 1.089 290 F HN 0.693 nan 8.300 nan 0.000 0.517 291 G N -1.270 107.463 108.800 -0.111 0.000 2.539 291 G HA2 0.085 4.045 3.960 0.000 0.000 0.258 291 G HA3 0.085 4.045 3.960 0.000 0.000 0.258 291 G C -1.339 173.630 174.900 0.116 0.000 1.202 291 G CA -0.370 44.803 45.100 0.120 0.000 0.851 291 G HN 0.126 nan 8.290 nan 0.000 0.556 292 Y N 1.421 121.776 120.300 0.093 0.000 2.721 292 Y HA 0.159 4.709 4.550 0.000 0.000 0.329 292 Y C 0.085 175.997 175.900 0.021 0.000 1.211 292 Y CA -0.278 57.848 58.100 0.042 0.000 1.512 292 Y CB 0.402 38.909 38.460 0.078 0.000 1.249 292 Y HN 0.462 nan 8.280 nan 0.000 0.549 293 N N 5.227 123.545 118.700 -0.637 0.000 2.346 293 N HA 0.323 5.063 4.740 0.000 0.000 0.289 293 N C 0.132 175.164 175.510 -0.797 0.000 1.027 293 N CA -0.703 51.951 53.050 -0.660 0.000 0.864 293 N CB 1.206 39.449 38.487 -0.407 0.000 1.370 293 N HN 0.755 nan 8.380 nan 0.000 0.481 294 R N 1.877 121.965 120.500 -0.687 0.000 2.057 294 R HA 0.053 4.394 4.340 0.000 0.000 0.229 294 R C 0.923 177.070 176.300 -0.255 0.000 1.136 294 R CA 0.871 56.763 56.100 -0.347 0.000 0.952 294 R CB -0.185 30.055 30.300 -0.100 0.000 0.848 294 R HN 0.480 nan 8.270 nan 0.000 0.430 295 N N 1.237 119.709 118.700 -0.379 0.000 2.588 295 N HA -0.120 4.620 4.740 0.000 0.000 0.190 295 N C 0.305 175.623 175.510 -0.320 0.000 1.094 295 N CA 0.583 53.401 53.050 -0.387 0.000 0.921 295 N CB -0.113 37.926 38.487 -0.746 0.000 0.959 295 N HN 0.241 nan 8.380 nan 0.000 0.448 301 M N 1.776 121.390 119.600 0.023 0.000 2.409 301 M HA 0.362 4.842 4.480 0.000 0.000 0.329 301 M C -0.335 175.945 176.300 -0.033 0.000 1.180 301 M CA -0.602 54.690 55.300 -0.015 0.000 1.053 301 M CB 1.927 34.515 32.600 -0.020 0.000 1.586 301 M HN -0.000 nan 8.290 nan 0.000 0.461 302 L N 1.418 122.615 121.223 -0.042 0.000 2.417 302 L HA 0.229 4.569 4.340 0.000 0.000 0.268 302 L C 0.811 177.638 176.870 -0.072 0.000 1.158 302 L CA -0.379 54.429 54.840 -0.054 0.000 0.819 302 L CB 1.091 43.119 42.059 -0.051 0.000 1.112 302 L HN 0.840 nan 8.230 nan 0.000 0.458 303 S N 1.325 116.968 115.700 -0.094 0.000 2.624 303 S HA 0.168 4.638 4.470 0.000 0.000 0.263 303 S C 1.109 175.618 174.600 -0.151 0.000 1.287 303 S CA -0.920 57.213 58.200 -0.112 0.000 0.990 303 S CB 1.415 64.541 63.200 -0.124 0.000 0.950 303 S HN 0.332 nan 8.310 nan 0.000 0.561 304 V N 1.078 120.902 119.914 -0.150 0.000 2.407 304 V HA -0.164 3.956 4.120 0.000 0.000 0.248 304 V C 2.779 178.686 176.094 -0.312 0.000 1.055 304 V CA 2.366 64.558 62.300 -0.181 0.000 1.049 304 V CB -1.271 30.477 31.823 -0.124 0.000 0.662 304 V HN 1.032 nan 8.190 nan 0.000 0.455 305 E N -0.138 119.843 120.200 -0.365 0.000 2.077 305 E HA -0.284 4.066 4.350 0.000 0.000 0.193 305 E C 2.269 178.365 176.600 -0.840 0.000 0.989 305 E CA 1.574 57.586 56.400 -0.647 0.000 0.800 305 E CB -0.074 29.282 29.700 -0.573 0.000 0.746 305 E HN 0.689 nan 8.360 nan 0.000 0.452 306 Q N -0.087 119.427 119.800 -0.476 0.000 2.230 306 Q HA -0.077 4.264 4.340 0.000 0.000 0.202 306 Q C 2.333 178.211 176.000 -0.204 0.000 0.963 306 Q CA 0.767 56.401 55.803 -0.282 0.000 0.866 306 Q CB 0.104 28.763 28.738 -0.132 0.000 0.931 306 Q HN 0.355 nan 8.270 nan 0.000 0.452 307 L N -0.417 120.663 121.223 -0.238 0.000 2.109 307 L HA -0.146 4.194 4.340 0.000 0.000 0.207 307 L C 2.221 178.905 176.870 -0.309 0.000 1.086 307 L CA 0.628 55.345 54.840 -0.205 0.000 0.760 307 L CB -0.205 41.742 42.059 -0.186 0.000 0.910 307 L HN 0.079 nan 8.230 nan 0.000 0.437 308 V N -1.081 118.545 119.914 -0.480 0.000 2.358 308 V HA -0.315 3.805 4.120 0.000 0.000 0.246 308 V C 2.151 177.970 176.094 -0.458 0.000 1.047 308 V CA 1.696 63.557 62.300 -0.732 0.000 1.035 308 V CB -0.624 30.497 31.823 -1.170 0.000 0.658 308 V HN 0.386 nan 8.190 nan 0.000 0.452 309 Y N 0.296 120.350 120.300 -0.410 0.000 2.224 309 Y HA -0.255 4.295 4.550 0.000 0.000 0.289 309 Y C 2.845 178.615 175.900 -0.216 0.000 1.146 309 Y CA 1.212 59.141 58.100 -0.286 0.000 1.182 309 Y CB -0.373 37.966 38.460 -0.202 0.000 0.983 309 Y HN 0.272 nan 8.280 nan 0.000 0.524 310 T N 0.926 115.471 114.554 -0.016 0.000 2.737 310 T HA -0.183 4.167 4.350 0.000 0.000 0.265 310 T C 1.945 176.618 174.700 -0.045 0.000 1.038 310 T CA 0.852 62.943 62.100 -0.015 0.000 1.144 310 T CB -0.483 68.415 68.868 0.049 0.000 0.866 310 T HN 0.283 nan 8.240 nan 0.000 0.434 311 L N 1.106 122.257 121.223 -0.120 0.000 2.012 311 L HA -0.125 4.215 4.340 0.000 0.000 0.210 311 L C 2.476 179.274 176.870 -0.120 0.000 1.073 311 L CA 1.566 56.321 54.840 -0.143 0.000 0.748 311 L CB -0.410 41.476 42.059 -0.288 0.000 0.891 311 L HN 0.154 nan 8.230 nan 0.000 0.431 312 V N -0.009 119.813 119.914 -0.153 0.000 2.358 312 V HA -0.297 3.823 4.120 0.000 0.000 0.246 312 V C 2.181 178.226 176.094 -0.081 0.000 1.047 312 V CA 2.054 64.287 62.300 -0.111 0.000 1.035 312 V CB -0.498 31.244 31.823 -0.135 0.000 0.658 312 V HN 0.552 nan 8.190 nan 0.000 0.452 313 D N 0.068 120.419 120.400 -0.080 0.000 2.084 313 D HA -0.162 4.478 4.640 0.000 0.000 0.194 313 D C 2.052 178.355 176.300 0.004 0.000 0.990 313 D CA 1.681 55.649 54.000 -0.053 0.000 0.826 313 D CB -0.132 40.627 40.800 -0.068 0.000 0.971 313 D HN 0.162 nan 8.370 nan 0.000 0.453 314 V N -0.114 119.795 119.914 -0.007 0.000 2.287 314 V HA -0.214 3.906 4.120 0.000 0.000 0.248 314 V C 2.580 178.628 176.094 -0.075 0.000 1.053 314 V CA 1.430 63.727 62.300 -0.006 0.000 1.027 314 V CB -0.368 31.427 31.823 -0.046 0.000 0.646 314 V HN 0.193 nan 8.190 nan 0.000 0.447 315 V N 0.764 120.636 119.914 -0.071 0.000 2.548 315 V HA -0.153 3.967 4.120 0.000 0.000 0.249 315 V C 2.528 178.620 176.094 -0.004 0.000 1.055 315 V CA 1.952 64.210 62.300 -0.070 0.000 1.065 315 V CB -0.359 31.430 31.823 -0.058 0.000 0.681 315 V HN 0.775 nan 8.190 nan 0.000 0.462 316 S N -0.494 115.224 115.700 0.029 0.000 2.522 316 S HA -0.046 4.424 4.470 0.000 0.000 0.227 316 S C 1.485 176.167 174.600 0.137 0.000 0.986 316 S CA 0.601 58.852 58.200 0.084 0.000 0.929 316 S CB -0.259 62.978 63.200 0.061 0.000 0.769 316 S HN 0.632 nan 8.310 nan 0.000 0.529 317 K N 0.498 120.999 120.400 0.168 0.000 2.399 317 K HA 0.375 4.696 4.320 0.000 0.000 0.204 317 K C 1.025 177.863 176.600 0.397 0.000 1.023 317 K CA 0.285 56.746 56.287 0.290 0.000 1.127 317 K CB 0.416 33.163 32.500 0.411 0.000 0.856 317 K HN 0.444 nan 8.250 nan 0.000 0.514 318 G N 0.754 109.659 108.800 0.174 0.000 2.176 318 G HA2 -0.236 3.724 3.960 0.000 0.000 0.253 318 G HA3 -0.236 3.724 3.960 0.000 0.000 0.253 318 G C 0.371 175.116 174.900 -0.258 0.000 0.979 318 G CA -0.176 44.976 45.100 0.088 0.000 0.641 318 G HN 0.489 nan 8.290 nan 0.000 0.530 319 G N -0.637 107.748 108.800 -0.691 0.000 2.502 319 G HA2 0.574 4.534 3.960 0.000 0.000 0.305 319 G HA3 0.574 4.534 3.960 0.000 0.000 0.305 319 G C -0.388 174.119 174.900 -0.655 0.000 1.190 319 G CA -0.431 43.813 45.100 -1.426 0.000 0.933 319 G HN 0.256 nan 8.290 nan 0.000 0.503 320 N N -1.318 117.068 118.700 -0.523 0.000 2.443 320 N HA 0.514 5.254 4.740 0.000 0.000 0.293 320 N C -1.036 174.424 175.510 -0.083 0.000 1.159 320 N CA -0.639 52.257 53.050 -0.256 0.000 0.904 320 N CB 2.069 40.358 38.487 -0.331 0.000 1.214 320 N HN 0.343 nan 8.380 nan 0.000 0.513 321 L N 1.207 122.468 121.223 0.064 0.000 2.296 321 L HA 0.497 4.837 4.340 0.000 0.000 0.286 321 L C -1.100 175.852 176.870 0.136 0.000 1.023 321 L CA -0.203 54.748 54.840 0.186 0.000 0.812 321 L CB 0.601 42.809 42.059 0.249 0.000 1.223 321 L HN 0.424 nan 8.230 nan 0.000 0.421 322 L N 6.370 127.641 121.223 0.080 0.000 2.321 322 L HA 0.361 4.702 4.340 0.000 0.000 0.272 322 L C -0.967 175.919 176.870 0.026 0.000 1.050 322 L CA -0.782 54.012 54.840 -0.076 0.000 0.893 322 L CB 1.203 43.178 42.059 -0.139 0.000 1.272 322 L HN 0.590 nan 8.230 nan 0.000 0.435 323 L N 4.424 125.664 121.223 0.029 0.000 2.281 323 L HA 0.280 4.620 4.340 0.000 0.000 0.285 323 L C 0.135 177.033 176.870 0.047 0.000 1.074 323 L CA 0.203 55.102 54.840 0.098 0.000 0.817 323 L CB 1.078 43.290 42.059 0.255 0.000 1.168 323 L HN 0.505 nan 8.230 nan 0.000 0.434 324 N N 3.262 122.013 118.700 0.084 0.000 2.530 324 N HA 0.493 5.233 4.740 0.000 0.000 0.277 324 N C -1.361 174.128 175.510 -0.035 0.000 1.168 324 N CA -0.380 52.723 53.050 0.089 0.000 0.979 324 N CB 1.128 39.685 38.487 0.116 0.000 1.141 324 N HN 0.382 nan 8.380 nan 0.000 0.459 325 V N 1.192 121.079 119.914 -0.045 0.000 2.588 325 V HA 0.633 4.754 4.120 0.000 0.000 0.304 325 V C 0.338 176.401 176.094 -0.051 0.000 1.042 325 V CA -0.814 61.435 62.300 -0.085 0.000 0.877 325 V CB 1.696 33.428 31.823 -0.150 0.000 0.996 325 V HN 0.847 nan 8.190 nan 0.000 0.425 326 G N 5.572 114.356 108.800 -0.026 0.000 3.205 326 G HA2 0.586 4.546 3.960 0.000 0.000 0.343 326 G HA3 0.586 4.546 3.960 0.000 0.000 0.343 326 G C -2.723 172.213 174.900 0.061 0.000 1.305 326 G CA -1.260 43.882 45.100 0.070 0.000 1.120 326 G HN 0.479 nan 8.290 nan 0.000 0.472 327 P HA 0.202 nan 4.420 nan 0.000 0.274 327 P C 0.073 177.356 177.300 -0.028 0.000 1.237 327 P CA -0.248 62.764 63.100 -0.146 0.000 0.793 327 P CB 1.678 33.165 31.700 -0.355 0.000 0.977 328 K N 0.281 120.576 120.400 -0.175 0.000 2.149 328 K HA 0.230 4.551 4.320 0.000 0.000 0.245 328 K C 1.919 178.698 176.600 0.298 0.000 1.024 328 K CA -0.024 56.166 56.287 -0.162 0.000 0.899 328 K CB -0.203 32.108 32.500 -0.316 0.000 1.038 328 K HN 0.512 nan 8.250 nan 0.000 0.496 329 G N 1.062 110.040 108.800 0.297 0.000 2.470 329 G HA2 -0.232 3.728 3.960 0.000 0.000 0.220 329 G HA3 -0.232 3.728 3.960 0.000 0.000 0.220 329 G C 0.867 176.061 174.900 0.489 0.000 1.121 329 G CA 0.966 46.347 45.100 0.467 0.000 0.766 329 G HN 0.810 nan 8.290 nan 0.000 0.553 330 D N -0.875 119.708 120.400 0.306 0.000 2.349 330 D HA 0.204 4.845 4.640 0.000 0.000 0.215 330 D C 1.638 178.101 176.300 0.273 0.000 1.016 330 D CA 0.681 54.816 54.000 0.225 0.000 0.870 330 D CB -0.449 40.437 40.800 0.143 0.000 0.917 330 D HN 0.482 nan 8.370 nan 0.000 0.524 331 G N -0.096 108.925 108.800 0.368 0.000 2.134 331 G HA2 -0.187 3.773 3.960 0.000 0.000 0.209 331 G HA3 -0.187 3.773 3.960 0.000 0.000 0.209 331 G C 0.250 175.368 174.900 0.363 0.000 0.993 331 G CA 0.218 45.519 45.100 0.334 0.000 0.669 331 G HN 0.749 nan 8.290 nan 0.000 0.519 332 T N -0.960 113.741 114.554 0.245 0.000 2.895 332 T HA 0.761 5.111 4.350 0.000 0.000 0.283 332 T C 0.175 174.926 174.700 0.084 0.000 1.014 332 T CA -0.889 61.332 62.100 0.201 0.000 1.037 332 T CB 2.521 71.445 68.868 0.092 0.000 1.006 332 T HN 0.406 nan 8.240 nan 0.000 0.468 333 I N 3.114 123.704 120.570 0.034 0.000 2.331 333 I HA 0.311 4.482 4.170 0.000 0.000 0.292 333 I C -2.183 173.890 176.117 -0.074 0.000 0.998 333 I CA -2.686 58.549 61.300 -0.108 0.000 1.267 333 I CB 1.356 39.222 38.000 -0.224 0.000 1.386 333 I HN 0.404 nan 8.210 nan 0.000 0.476 334 P HA -0.048 nan 4.420 nan 0.000 0.263 334 P C -0.127 177.165 177.300 -0.013 0.000 1.175 334 P CA 0.299 63.376 63.100 -0.039 0.000 0.761 334 P CB 0.559 32.270 31.700 0.017 0.000 0.794 335 D N 1.746 122.147 120.400 0.001 0.000 2.158 335 D HA -0.158 4.482 4.640 0.000 0.000 0.197 335 D C 1.738 178.041 176.300 0.005 0.000 0.995 335 D CA 1.256 55.258 54.000 0.003 0.000 0.846 335 D CB -0.323 40.483 40.800 0.010 0.000 0.941 335 D HN 0.350 nan 8.370 nan 0.000 0.456 336 L N 0.161 121.392 121.223 0.013 0.000 2.079 336 L HA -0.235 4.105 4.340 0.000 0.000 0.210 336 L C 2.403 179.274 176.870 0.001 0.000 1.081 336 L CA 1.274 56.119 54.840 0.009 0.000 0.752 336 L CB -0.368 41.702 42.059 0.017 0.000 0.896 336 L HN 0.127 nan 8.230 nan 0.000 0.433 337 Q N -0.293 119.507 119.800 0.000 0.000 2.049 337 Q HA -0.182 4.158 4.340 0.000 0.000 0.198 337 Q C 2.264 178.262 176.000 -0.003 0.000 0.971 337 Q CA 1.148 56.947 55.803 -0.008 0.000 0.833 337 Q CB -0.017 28.710 28.738 -0.019 0.000 0.896 337 Q HN 0.380 nan 8.270 nan 0.000 0.434 338 K N 0.826 121.219 120.400 -0.011 0.000 2.074 338 K HA -0.264 4.056 4.320 0.000 0.000 0.209 338 K C 2.023 178.628 176.600 0.009 0.000 1.048 338 K CA 1.637 57.920 56.287 -0.007 0.000 0.926 338 K CB -0.080 32.409 32.500 -0.018 0.000 0.713 338 K HN 0.205 nan 8.250 nan 0.000 0.444 339 E N 0.499 120.702 120.200 0.005 0.000 2.051 339 E HA -0.206 4.144 4.350 0.000 0.000 0.192 339 E C 2.025 178.630 176.600 0.008 0.000 0.991 339 E CA 1.283 57.687 56.400 0.007 0.000 0.799 339 E CB 0.141 29.842 29.700 0.001 0.000 0.748 339 E HN 0.053 nan 8.360 nan 0.000 0.449 340 R N -0.025 120.476 120.500 0.003 0.000 2.092 340 R HA -0.019 4.321 4.340 0.000 0.000 0.231 340 R C 2.276 178.586 176.300 0.017 0.000 1.119 340 R CA 0.922 57.019 56.100 -0.006 0.000 0.970 340 R CB -0.316 29.974 30.300 -0.017 0.000 0.864 340 R HN 0.258 nan 8.270 nan 0.000 0.440 341 L N -0.432 120.820 121.223 0.049 0.000 2.072 341 L HA -0.115 4.225 4.340 0.000 0.000 0.205 341 L C 2.029 178.963 176.870 0.106 0.000 1.079 341 L CA 1.080 55.983 54.840 0.106 0.000 0.752 341 L CB -0.380 41.761 42.059 0.138 0.000 0.906 341 L HN 0.153 nan 8.230 nan 0.000 0.436 342 L N -0.576 120.691 121.223 0.075 0.000 2.093 342 L HA -0.102 4.238 4.340 0.000 0.000 0.208 342 L C 2.627 179.540 176.870 0.072 0.000 1.085 342 L CA 1.265 56.149 54.840 0.072 0.000 0.755 342 L CB -1.035 41.052 42.059 0.046 0.000 0.904 342 L HN 0.310 nan 8.230 nan 0.000 0.435 343 G N -0.275 108.555 108.800 0.051 0.000 2.422 343 G HA2 -0.210 3.751 3.960 0.000 0.000 0.218 343 G HA3 -0.210 3.751 3.960 0.000 0.000 0.218 343 G C 1.653 176.595 174.900 0.070 0.000 1.140 343 G CA 0.317 45.447 45.100 0.049 0.000 0.775 343 G HN 0.236 nan 8.290 nan 0.000 0.545 344 L N 0.454 121.703 121.223 0.043 0.000 2.109 344 L HA 0.098 4.439 4.340 0.000 0.000 0.207 344 L C 2.897 179.848 176.870 0.135 0.000 1.086 344 L CA 1.220 56.073 54.840 0.022 0.000 0.760 344 L CB -0.303 41.706 42.059 -0.083 0.000 0.910 344 L HN 0.303 nan 8.230 nan 0.000 0.437 345 G N -1.441 107.447 108.800 0.146 0.000 2.448 345 G HA2 -0.203 3.757 3.960 0.000 0.000 0.218 345 G HA3 -0.203 3.757 3.960 0.000 0.000 0.218 345 G C 1.431 176.425 174.900 0.157 0.000 1.135 345 G CA 0.055 45.262 45.100 0.179 0.000 0.784 345 G HN 0.219 nan 8.290 nan 0.000 0.543 346 E N -0.123 120.163 120.200 0.143 0.000 2.106 346 E HA -0.106 4.245 4.350 0.000 0.000 0.192 346 E C 1.960 178.649 176.600 0.147 0.000 0.984 346 E CA 0.551 57.021 56.400 0.116 0.000 0.806 346 E CB -0.231 29.530 29.700 0.101 0.000 0.750 346 E HN 0.658 nan 8.360 nan 0.000 0.458 347 W N 0.950 122.273 121.300 0.039 0.000 2.381 347 W HA -0.086 4.575 4.660 0.000 0.000 0.301 347 W C 1.975 178.555 176.519 0.102 0.000 1.205 347 W CA 1.038 58.441 57.345 0.096 0.000 1.285 347 W CB -0.340 29.145 29.460 0.041 0.000 1.133 347 W HN -0.019 nan 8.180 nan 0.000 0.521 348 L N 0.526 121.891 121.223 0.236 0.000 2.201 348 L HA -0.119 4.221 4.340 0.000 0.000 0.212 348 L C 2.717 179.547 176.870 -0.066 0.000 1.105 348 L CA 1.269 56.124 54.840 0.026 0.000 0.775 348 L CB -0.671 41.490 42.059 0.171 0.000 0.913 348 L HN -0.004 nan 8.230 nan 0.000 0.440 349 R N 0.316 120.810 120.500 -0.011 0.000 2.092 349 R HA -0.156 4.184 4.340 0.000 0.000 0.231 349 R C 2.158 178.375 176.300 -0.138 0.000 1.119 349 R CA 1.297 57.385 56.100 -0.021 0.000 0.970 349 R CB 0.102 30.405 30.300 0.006 0.000 0.864 349 R HN 0.284 nan 8.270 nan 0.000 0.440 350 K N -0.882 119.347 120.400 -0.286 0.000 2.021 350 K HA -0.096 4.224 4.320 0.000 0.000 0.205 350 K C 0.966 177.214 176.600 -0.587 0.000 1.047 350 K CA 1.196 57.176 56.287 -0.511 0.000 0.943 350 K CB 0.097 32.125 32.500 -0.786 0.000 0.725 350 K HN 0.231 nan 8.250 nan 0.000 0.439 351 Y N 0.005 119.986 120.300 -0.531 0.000 2.607 351 Y HA 0.203 4.753 4.550 0.000 0.000 0.266 351 Y C 1.745 177.246 175.900 -0.666 0.000 1.178 351 Y CA -0.434 57.264 58.100 -0.669 0.000 1.226 351 Y CB 0.300 37.933 38.460 -1.379 0.000 1.144 351 Y HN 0.111 nan 8.280 nan 0.000 0.528 352 G N -0.219 108.384 108.800 -0.329 0.000 2.448 352 G HA2 -0.279 3.682 3.960 0.000 0.000 0.219 352 G HA3 -0.279 3.682 3.960 0.000 0.000 0.219 352 G C 1.208 175.944 174.900 -0.272 0.000 1.127 352 G CA 1.058 45.935 45.100 -0.372 0.000 0.766 352 G HN 0.338 nan 8.290 nan 0.000 0.552 353 D N 0.096 120.436 120.400 -0.101 0.000 2.310 353 D HA 0.138 4.778 4.640 0.000 0.000 0.212 353 D C 2.389 178.376 176.300 -0.522 0.000 0.965 353 D CA 0.909 54.879 54.000 -0.051 0.000 0.879 353 D CB -0.014 40.931 40.800 0.242 0.000 0.921 353 D HN 0.292 nan 8.370 nan 0.000 0.510 354 A N -0.538 121.685 122.820 -0.995 0.000 2.307 354 A HA 0.180 4.500 4.320 0.000 0.000 0.218 354 A C 1.285 178.396 177.584 -0.789 0.000 1.228 354 A CA 0.107 51.124 52.037 -1.699 0.000 0.857 354 A CB 0.078 18.056 19.000 -1.704 0.000 0.897 354 A HN 0.153 nan 8.150 nan 0.000 0.495 355 I N -2.336 117.928 120.570 -0.509 0.000 3.664 355 I HA 0.167 4.337 4.170 0.000 0.000 0.251 355 I C -0.145 175.883 176.117 -0.148 0.000 1.134 355 I CA 0.038 61.149 61.300 -0.315 0.000 1.520 355 I CB -1.287 36.486 38.000 -0.378 0.000 1.638 355 I HN 0.195 nan 8.210 nan 0.000 0.431 356 Y N 2.679 122.957 120.300 -0.036 0.000 2.717 356 Y HA 0.356 4.907 4.550 0.000 0.000 0.330 356 Y C 1.638 177.551 175.900 0.022 0.000 1.217 356 Y CA 0.547 58.657 58.100 0.016 0.000 1.506 356 Y CB -0.690 37.795 38.460 0.042 0.000 1.268 356 Y HN 0.508 nan 8.280 nan 0.000 0.561 357 G N 1.716 110.639 108.800 0.205 0.000 2.160 357 G HA2 -0.267 3.693 3.960 0.000 0.000 0.251 357 G HA3 -0.267 3.693 3.960 0.000 0.000 0.251 357 G C 0.150 175.126 174.900 0.127 0.000 1.008 357 G CA 0.285 45.473 45.100 0.146 0.000 0.724 357 G HN 0.969 nan 8.290 nan 0.000 0.514 358 T N -2.088 112.530 114.554 0.107 0.000 2.934 358 T HA 0.790 5.140 4.350 0.000 0.000 0.283 358 T C 0.362 175.125 174.700 0.105 0.000 1.005 358 T CA 0.163 62.335 62.100 0.121 0.000 1.041 358 T CB 2.307 71.235 68.868 0.100 0.000 1.042 358 T HN 0.371 nan 8.240 nan 0.000 0.505 359 S N 0.170 115.948 115.700 0.130 0.000 2.739 359 S HA 0.689 5.159 4.470 0.000 0.000 0.306 359 S C 0.364 175.055 174.600 0.151 0.000 1.115 359 S CA -0.776 57.496 58.200 0.120 0.000 0.985 359 S CB 1.323 64.593 63.200 0.117 0.000 1.133 359 S HN 1.016 nan 8.310 nan 0.000 0.541 360 V N 0.012 120.012 119.914 0.144 0.000 2.775 360 V HA 0.447 4.567 4.120 0.000 0.000 0.299 360 V C -0.130 176.108 176.094 0.240 0.000 1.062 360 V CA -0.567 61.841 62.300 0.180 0.000 1.063 360 V CB 0.178 32.084 31.823 0.138 0.000 0.994 360 V HN 0.846 nan 8.190 nan 0.000 0.483 361 W N 2.056 123.391 121.300 0.059 0.000 1.998 361 W HA 0.445 5.106 4.660 0.001 0.000 0.441 361 W C 1.561 178.061 176.519 -0.032 0.000 1.859 361 W CA -0.185 57.162 57.345 0.004 0.000 2.071 361 W CB 0.975 30.423 29.460 -0.020 0.000 1.474 361 W HN 0.758 nan 8.180 nan 0.000 0.734 362 E N 0.346 120.043 120.200 -0.838 0.000 2.130 362 E HA -0.188 4.162 4.350 0.000 0.000 0.196 362 E C 0.387 176.760 176.600 -0.378 0.000 0.998 362 E CA 1.693 57.644 56.400 -0.748 0.000 0.806 362 E CB -0.070 28.893 29.700 -1.228 0.000 0.738 362 E HN 0.314 nan 8.360 nan 0.000 0.459 363 R N -1.547 118.823 120.500 -0.218 0.000 2.774 363 R HA 0.357 4.698 4.340 0.000 0.000 0.272 363 R C 1.035 177.481 176.300 0.244 0.000 1.000 363 R CA -0.024 56.080 56.100 0.007 0.000 0.906 363 R CB 0.491 30.776 30.300 -0.026 0.000 1.227 363 R HN 0.133 nan 8.270 nan 0.000 0.468 364 C N -0.782 118.646 119.300 0.214 0.000 2.505 364 C HA 0.389 4.850 4.460 0.000 0.000 0.279 364 C C 0.716 175.890 174.990 0.307 0.000 1.316 364 C CA 0.188 59.355 59.018 0.248 0.000 1.720 364 C CB -0.687 27.137 27.740 0.139 0.000 2.050 364 C HN 0.638 nan 8.230 nan 0.000 0.493 365 C N 0.959 120.412 119.300 0.255 0.000 2.913 365 C HA 0.943 5.403 4.460 0.000 0.000 0.322 365 C C 0.138 175.247 174.990 0.198 0.000 1.292 365 C CA 0.290 59.390 59.018 0.137 0.000 1.649 365 C CB 0.968 28.729 27.740 0.033 0.000 2.139 365 C HN 1.009 nan 8.230 nan 0.000 0.475 366 A N 1.199 124.039 122.820 0.034 0.000 2.583 366 A HA 0.821 5.141 4.320 0.000 0.000 0.292 366 A C -1.585 175.932 177.584 -0.112 0.000 1.045 366 A CA -0.649 51.410 52.037 0.037 0.000 0.672 366 A CB 1.197 20.314 19.000 0.196 0.000 1.283 366 A HN 0.991 nan 8.150 nan 0.000 0.419 367 K N -0.368 119.985 120.400 -0.079 0.000 2.444 367 K HA 0.832 5.152 4.320 0.000 0.000 0.252 367 K C -0.277 176.278 176.600 -0.075 0.000 0.993 367 K CA -0.108 56.114 56.287 -0.109 0.000 0.847 367 K CB 1.856 34.314 32.500 -0.069 0.000 1.340 367 K HN 0.973 nan 8.250 nan 0.000 0.446 368 T N -2.631 111.887 114.554 -0.059 0.000 2.881 368 T HA 0.118 4.469 4.350 0.000 0.000 0.278 368 T C 1.088 175.798 174.700 0.016 0.000 0.982 368 T CA -0.455 61.648 62.100 0.006 0.000 0.989 368 T CB 1.480 70.389 68.868 0.070 0.000 1.058 368 T HN 0.843 nan 8.240 nan 0.000 0.529 369 E N -0.019 120.201 120.200 0.033 0.000 2.110 369 E HA -0.244 4.106 4.350 0.000 0.000 0.193 369 E C 1.620 178.235 176.600 0.024 0.000 0.988 369 E CA 1.387 57.804 56.400 0.028 0.000 0.804 369 E CB -0.115 29.606 29.700 0.035 0.000 0.745 369 E HN 0.802 nan 8.360 nan 0.000 0.458 370 D N -1.258 119.161 120.400 0.032 0.000 2.097 370 D HA -0.151 4.490 4.640 0.000 0.000 0.195 370 D C 1.392 177.702 176.300 0.016 0.000 0.989 370 D CA 2.057 56.074 54.000 0.028 0.000 0.827 370 D CB 0.231 41.056 40.800 0.042 0.000 0.966 370 D HN 0.401 nan 8.370 nan 0.000 0.456 371 G N -0.924 107.881 108.800 0.008 0.000 3.033 371 G HA2 -0.162 3.799 3.960 0.000 0.000 0.208 371 G HA3 -0.162 3.799 3.960 0.000 0.000 0.208 371 G C 0.280 175.162 174.900 -0.031 0.000 1.006 371 G CA 0.254 45.348 45.100 -0.010 0.000 0.808 371 G HN 0.311 nan 8.290 nan 0.000 0.499 372 T N 3.530 118.074 114.554 -0.016 0.000 2.829 372 T HA 0.375 4.725 4.350 0.000 0.000 0.293 372 T C 0.241 174.864 174.700 -0.129 0.000 0.970 372 T CA 0.295 62.372 62.100 -0.039 0.000 1.168 372 T CB 1.068 69.974 68.868 0.064 0.000 0.911 372 T HN 0.274 nan 8.240 nan 0.000 0.535 373 E N 2.634 122.722 120.200 -0.187 0.000 2.390 373 E HA 0.355 4.705 4.350 0.000 0.000 0.261 373 E C 0.053 176.427 176.600 -0.376 0.000 1.076 373 E CA -0.058 56.192 56.400 -0.249 0.000 0.905 373 E CB 1.197 30.752 29.700 -0.242 0.000 0.984 373 E HN 0.524 nan 8.360 nan 0.000 0.427 374 I N 1.846 122.155 120.570 -0.435 0.000 2.686 374 I HA 0.341 4.511 4.170 0.000 0.000 0.295 374 I C -0.174 175.595 176.117 -0.579 0.000 1.114 374 I CA -0.911 59.997 61.300 -0.653 0.000 1.038 374 I CB 1.795 39.252 38.000 -0.905 0.000 1.238 374 I HN 0.086 nan 8.210 nan 0.000 0.420 375 R N 4.317 124.450 120.500 -0.612 0.000 2.750 375 R HA 0.620 4.960 4.340 0.000 0.000 0.281 375 R C -1.603 174.358 176.300 -0.564 0.000 0.972 375 R CA -0.838 54.996 56.100 -0.443 0.000 0.912 375 R CB 2.056 32.222 30.300 -0.224 0.000 1.187 375 R HN 0.367 nan 8.270 nan 0.000 0.464 376 F N 0.317 120.250 119.950 -0.029 0.000 2.482 376 F HA 0.425 4.952 4.527 0.000 0.000 0.331 376 F C 0.678 176.505 175.800 0.046 0.000 1.115 376 F CA -0.586 57.397 58.000 -0.029 0.000 0.955 376 F CB 2.285 41.304 39.000 0.032 0.000 1.136 376 F HN 0.395 nan 8.300 nan 0.000 0.452 377 T N 0.313 115.000 114.554 0.220 0.000 2.893 377 T HA 0.664 5.014 4.350 0.000 0.000 0.291 377 T C -0.769 174.096 174.700 0.274 0.000 1.028 377 T CA -1.033 61.206 62.100 0.231 0.000 0.995 377 T CB 2.285 71.238 68.868 0.143 0.000 1.051 377 T HN 0.729 nan 8.240 nan 0.000 0.470 378 R N 0.790 121.447 120.500 0.261 0.000 2.668 378 R HA 0.680 5.020 4.340 0.000 0.000 0.279 378 R C -0.852 175.593 176.300 0.242 0.000 0.976 378 R CA -0.881 55.346 56.100 0.212 0.000 0.978 378 R CB 1.215 31.683 30.300 0.280 0.000 1.133 378 R HN 0.769 nan 8.270 nan 0.000 0.484 379 K N 3.779 124.287 120.400 0.179 0.000 2.984 379 K HA 0.255 4.575 4.320 0.000 0.000 0.211 379 K C -0.961 175.704 176.600 0.108 0.000 1.174 379 K CA -0.526 55.879 56.287 0.198 0.000 0.978 379 K CB 0.076 32.794 32.500 0.363 0.000 1.212 379 K HN 0.927 nan 8.250 nan 0.000 0.589 380 C N 0.019 119.378 119.300 0.099 0.000 0.265 380 C HA -0.312 4.148 4.460 0.000 0.000 0.020 380 C C 1.727 176.751 174.990 0.056 0.000 0.191 380 C CA 0.939 60.001 59.018 0.073 0.000 0.505 380 C CB -1.374 26.404 27.740 0.063 0.000 3.212 380 C HN 0.957 nan 8.230 nan 0.000 1.117 381 N N 2.394 121.112 118.700 0.029 0.000 2.463 381 N HA 0.003 4.743 4.740 0.000 0.000 0.181 381 N C 0.307 175.791 175.510 -0.044 0.000 1.078 381 N CA 0.726 53.785 53.050 0.015 0.000 0.902 381 N CB -0.275 38.222 38.487 0.016 0.000 0.970 381 N HN 0.745 nan 8.380 nan 0.000 0.451 382 R N 0.880 121.319 120.500 -0.102 0.000 2.390 382 R HA 0.382 4.722 4.340 0.000 0.000 0.291 382 R C -0.230 175.840 176.300 -0.383 0.000 1.070 382 R CA -0.294 55.637 56.100 -0.282 0.000 1.014 382 R CB 1.593 31.664 30.300 -0.381 0.000 1.007 382 R HN 0.185 nan 8.270 nan 0.000 0.466 383 I N 3.953 124.223 120.570 -0.501 0.000 2.468 383 I HA 0.292 4.462 4.170 0.000 0.000 0.284 383 I C -1.329 174.483 176.117 -0.507 0.000 1.038 383 I CA -0.742 60.248 61.300 -0.518 0.000 1.083 383 I CB 0.706 38.278 38.000 -0.714 0.000 1.223 383 I HN 0.504 nan 8.210 nan 0.000 0.443 384 F N 6.460 126.318 119.950 -0.154 0.000 2.443 384 F HA 0.311 4.838 4.527 0.000 0.000 0.353 384 F C 0.506 176.214 175.800 -0.154 0.000 1.101 384 F CA -0.434 57.474 58.000 -0.153 0.000 1.226 384 F CB 1.269 40.148 39.000 -0.202 0.000 1.140 384 F HN 0.128 nan 8.300 nan 0.000 0.557 385 V N 5.495 125.417 119.914 0.014 0.000 2.284 385 V HA 0.311 4.431 4.120 0.000 0.000 0.274 385 V C -0.029 176.019 176.094 -0.075 0.000 1.023 385 V CA -0.590 61.630 62.300 -0.134 0.000 0.808 385 V CB 0.558 32.355 31.823 -0.045 0.000 1.035 385 V HN 0.540 nan 8.190 nan 0.000 0.445 386 I N 4.891 125.332 120.570 -0.215 0.000 2.306 386 I HA 0.387 4.557 4.170 0.000 0.000 0.288 386 I C -0.487 175.531 176.117 -0.166 0.000 1.036 386 I CA -0.255 60.975 61.300 -0.118 0.000 1.221 386 I CB 0.789 38.706 38.000 -0.138 0.000 1.385 386 I HN 0.348 nan 8.210 nan 0.000 0.472 387 F N 6.102 125.925 119.950 -0.211 0.000 2.438 387 F HA 0.165 4.692 4.527 0.000 0.000 0.356 387 F C 0.385 176.054 175.800 -0.218 0.000 1.099 387 F CA -0.545 57.334 58.000 -0.201 0.000 1.185 387 F CB 0.612 39.535 39.000 -0.128 0.000 1.115 387 F HN 0.250 nan 8.300 nan 0.000 0.526 388 L N 4.363 125.447 121.223 -0.232 0.000 2.415 388 L HA 0.417 4.758 4.340 0.000 0.000 0.269 388 L C 0.638 177.270 176.870 -0.396 0.000 1.244 388 L CA -0.049 54.447 54.840 -0.573 0.000 1.113 388 L CB -1.341 40.179 42.059 -0.899 0.000 1.352 388 L HN 0.796 nan 8.230 nan 0.000 0.433 389 G N 2.816 111.628 108.800 0.021 0.000 2.440 389 G HA2 -0.035 3.925 3.960 0.000 0.000 0.684 389 G HA3 -0.035 3.925 3.960 0.000 0.000 0.684 389 G C -0.995 173.976 174.900 0.119 0.000 1.309 389 G CA -1.040 44.150 45.100 0.150 0.000 0.931 389 G HN 0.195 nan 8.290 nan 0.000 0.612 390 I N 2.012 122.635 120.570 0.089 0.000 2.359 390 I HA 0.305 4.475 4.170 0.000 0.000 0.284 390 I C -1.966 174.162 176.117 0.017 0.000 1.018 390 I CA -1.838 59.484 61.300 0.036 0.000 1.173 390 I CB 1.840 39.868 38.000 0.046 0.000 1.326 390 I HN 0.207 nan 8.210 nan 0.000 0.462 391 P HA 0.013 nan 4.420 nan 0.000 0.264 391 P C 0.980 178.274 177.300 -0.009 0.000 1.183 391 P CA 0.028 63.128 63.100 -0.001 0.000 0.763 391 P CB 0.508 32.188 31.700 -0.033 0.000 0.807 392 T N -0.705 113.854 114.554 0.008 0.000 3.113 392 T HA 0.179 4.530 4.350 0.000 0.000 0.256 392 T C 0.916 175.617 174.700 0.002 0.000 1.131 392 T CA 0.159 62.263 62.100 0.006 0.000 1.074 392 T CB -0.258 68.618 68.868 0.012 0.000 0.944 392 T HN 0.457 nan 8.240 nan 0.000 0.516 393 G N 0.215 109.017 108.800 0.002 0.000 2.420 393 G HA2 0.516 4.476 3.960 0.000 0.000 0.331 393 G HA3 0.516 4.476 3.960 0.000 0.000 0.331 393 G C 0.015 174.913 174.900 -0.005 0.000 1.168 393 G CA -0.717 44.385 45.100 0.003 0.000 0.936 393 G HN 0.193 nan 8.290 nan 0.000 0.479 394 E N 0.220 120.419 120.200 -0.002 0.000 2.072 394 E HA -0.054 4.296 4.350 0.000 0.000 0.190 394 E C 1.220 177.825 176.600 0.008 0.000 0.982 394 E CA 0.688 57.085 56.400 -0.004 0.000 0.803 394 E CB 0.159 29.858 29.700 -0.002 0.000 0.755 394 E HN 0.454 nan 8.360 nan 0.000 0.453 395 K N 1.716 122.127 120.400 0.019 0.000 2.315 395 K HA 0.143 4.463 4.320 0.000 0.000 0.291 395 K C -0.976 175.651 176.600 0.044 0.000 1.074 395 K CA 0.067 56.374 56.287 0.034 0.000 0.936 395 K CB 0.040 32.559 32.500 0.033 0.000 1.049 395 K HN 0.007 nan 8.250 nan 0.000 0.471 396 I N 5.010 125.616 120.570 0.061 0.000 2.354 396 I HA 0.177 4.347 4.170 0.000 0.000 0.292 396 I C -0.672 175.514 176.117 0.116 0.000 0.989 396 I CA -1.131 60.226 61.300 0.095 0.000 1.188 396 I CB 1.947 40.011 38.000 0.107 0.000 1.342 396 I HN 0.231 nan 8.210 nan 0.000 0.457 397 V N 7.502 127.481 119.914 0.109 0.000 2.334 397 V HA 0.419 4.539 4.120 0.000 0.000 0.281 397 V C 0.078 176.229 176.094 0.095 0.000 1.016 397 V CA -0.501 61.856 62.300 0.096 0.000 0.832 397 V CB 1.198 33.063 31.823 0.070 0.000 0.999 397 V HN 0.475 nan 8.190 nan 0.000 0.439 398 I N 3.999 124.629 120.570 0.100 0.000 2.325 398 I HA 0.326 4.496 4.170 0.000 0.000 0.291 398 I C 0.745 176.901 176.117 0.065 0.000 1.019 398 I CA -0.277 61.066 61.300 0.071 0.000 1.302 398 I CB 0.955 39.000 38.000 0.075 0.000 1.401 398 I HN 0.621 nan 8.210 nan 0.000 0.485 399 E N 5.255 125.482 120.200 0.045 0.000 2.408 399 E HA -0.002 4.349 4.350 0.000 0.000 0.259 399 E C -0.230 176.405 176.600 0.058 0.000 1.110 399 E CA -0.259 56.168 56.400 0.044 0.000 0.929 399 E CB 0.346 30.062 29.700 0.028 0.000 0.971 399 E HN 0.530 nan 8.360 nan 0.000 0.438 400 D N 1.109 121.539 120.400 0.049 0.000 2.730 400 D HA -0.230 4.410 4.640 0.000 0.000 0.227 400 D C -0.722 175.618 176.300 0.065 0.000 1.196 400 D CA 0.950 54.978 54.000 0.048 0.000 0.620 400 D CB -0.623 40.199 40.800 0.037 0.000 1.012 400 D HN 0.260 nan 8.370 nan 0.000 0.411 401 L N 0.893 122.163 121.223 0.079 0.000 2.482 401 L HA 0.299 4.640 4.340 0.000 0.000 0.269 401 L C -0.880 176.043 176.870 0.089 0.000 0.967 401 L CA -0.514 54.385 54.840 0.097 0.000 0.851 401 L CB 1.695 43.839 42.059 0.140 0.000 1.242 401 L HN -0.137 nan 8.230 nan 0.000 0.404 402 N N 5.316 124.066 118.700 0.084 0.000 2.443 402 N HA 0.413 5.153 4.740 0.000 0.000 0.269 402 N C -1.276 174.294 175.510 0.100 0.000 0.985 402 N CA -0.504 52.600 53.050 0.089 0.000 0.921 402 N CB 2.366 40.896 38.487 0.071 0.000 1.195 402 N HN 0.487 nan 8.380 nan 0.000 0.492 403 L N 2.615 123.895 121.223 0.095 0.000 2.282 403 L HA 0.253 4.594 4.340 0.000 0.000 0.288 403 L C 0.427 177.375 176.870 0.129 0.000 1.033 403 L CA -0.507 54.371 54.840 0.064 0.000 0.807 403 L CB 1.032 43.026 42.059 -0.109 0.000 1.209 403 L HN 0.525 nan 8.230 nan 0.000 0.423 404 S N 4.231 120.001 115.700 0.117 0.000 2.507 404 S HA 0.223 4.693 4.470 0.000 0.000 0.299 404 S C 0.728 175.429 174.600 0.168 0.000 1.214 404 S CA -0.456 57.818 58.200 0.124 0.000 1.137 404 S CB 0.770 64.025 63.200 0.092 0.000 1.009 404 S HN 0.849 nan 8.310 nan 0.000 0.512 405 A N 4.182 127.141 122.820 0.231 0.000 2.291 405 A HA 0.280 4.601 4.320 0.000 0.000 0.313 405 A C 1.169 178.914 177.584 0.268 0.000 1.108 405 A CA 0.506 52.731 52.037 0.313 0.000 1.273 405 A CB -1.272 17.808 19.000 0.134 0.000 0.773 405 A HN 1.213 nan 8.150 nan 0.000 0.415 406 G N 0.818 109.820 108.800 0.338 0.000 3.227 406 G HA2 0.591 4.551 3.960 0.000 0.000 0.171 406 G HA3 0.591 4.551 3.960 0.000 0.000 0.171 406 G C 0.251 175.303 174.900 0.252 0.000 1.463 406 G CA 0.462 45.677 45.100 0.191 0.000 1.016 406 G HN 1.379 nan 8.290 nan 0.000 0.594 407 T N -1.731 112.920 114.554 0.162 0.000 3.038 407 T HA 0.480 4.830 4.350 0.000 0.000 0.344 407 T C -0.788 173.973 174.700 0.101 0.000 1.054 407 T CA -0.498 61.714 62.100 0.188 0.000 1.092 407 T CB 0.986 69.919 68.868 0.108 0.000 1.031 407 T HN 0.309 nan 8.240 nan 0.000 0.482 408 V N 4.827 124.805 119.914 0.107 0.000 2.415 408 V HA 0.301 4.422 4.120 0.000 0.000 0.267 408 V C 0.727 176.866 176.094 0.075 0.000 1.042 408 V CA -0.243 62.034 62.300 -0.037 0.000 1.000 408 V CB -0.528 31.156 31.823 -0.231 0.000 1.015 408 V HN 0.733 nan 8.190 nan 0.000 0.478 409 R N 3.048 123.584 120.500 0.060 0.000 2.540 409 R HA 0.395 4.735 4.340 0.000 0.000 0.287 409 R C 0.153 176.536 176.300 0.139 0.000 0.980 409 R CA -0.843 55.317 56.100 0.101 0.000 0.966 409 R CB 1.166 31.514 30.300 0.078 0.000 1.106 409 R HN 0.734 nan 8.270 nan 0.000 0.480 410 H N 3.362 122.475 119.070 0.073 0.000 2.929 410 H HA -0.077 4.479 4.556 0.000 0.000 0.317 410 H C 0.212 175.619 175.328 0.133 0.000 1.031 410 H CA 0.476 56.581 56.048 0.096 0.000 1.466 410 H CB 0.526 30.320 29.762 0.053 0.000 1.482 410 H HN 0.653 nan 8.280 nan 0.000 0.561 411 F N 5.204 124.980 119.950 -0.290 0.000 2.084 411 F HA -0.203 4.324 4.527 0.000 0.000 0.296 411 F C 1.887 177.645 175.800 -0.070 0.000 1.111 411 F CA 1.099 59.045 58.000 -0.090 0.000 1.224 411 F CB -0.085 38.915 39.000 0.001 0.000 0.991 411 F HN 0.515 nan 8.300 nan 0.000 0.471 412 L N 0.433 121.529 121.223 -0.213 0.000 2.093 412 L HA -0.096 4.244 4.340 0.000 0.000 0.208 412 L C 2.469 179.270 176.870 -0.114 0.000 1.085 412 L CA 2.412 57.110 54.840 -0.237 0.000 0.755 412 L CB -0.970 41.075 42.059 -0.024 0.000 0.904 412 L HN 0.457 nan 8.230 nan 0.000 0.435 413 T N -5.017 109.633 114.554 0.160 0.000 3.051 413 T HA 0.283 4.633 4.350 0.000 0.000 0.255 413 T C 1.566 176.279 174.700 0.023 0.000 1.085 413 T CA 0.405 62.554 62.100 0.083 0.000 1.109 413 T CB -0.010 68.905 68.868 0.079 0.000 0.921 413 T HN 0.484 nan 8.240 nan 0.000 0.488 414 G N 1.173 109.993 108.800 0.033 0.000 2.184 414 G HA2 -0.263 3.697 3.960 0.000 0.000 0.264 414 G HA3 -0.263 3.697 3.960 0.000 0.000 0.264 414 G C -0.072 174.856 174.900 0.046 0.000 0.975 414 G CA 0.284 45.386 45.100 0.004 0.000 0.642 414 G HN 0.658 nan 8.290 nan 0.000 0.536 415 E N 0.238 120.482 120.200 0.073 0.000 2.404 415 E HA 0.339 4.689 4.350 0.000 0.000 0.261 415 E C 0.797 177.443 176.600 0.078 0.000 1.074 415 E CA -0.331 56.098 56.400 0.048 0.000 0.917 415 E CB 0.434 30.136 29.700 0.004 0.000 0.965 415 E HN 0.371 nan 8.360 nan 0.000 0.433 416 R N 1.683 122.219 120.500 0.060 0.000 2.459 416 R HA 0.405 4.745 4.340 0.000 0.000 0.281 416 R C -0.518 175.835 176.300 0.089 0.000 1.050 416 R CA -0.222 55.926 56.100 0.080 0.000 1.055 416 R CB 0.640 30.980 30.300 0.066 0.000 1.045 416 R HN 0.333 nan 8.270 nan 0.000 0.495 417 L N 0.792 122.092 121.223 0.128 0.000 2.362 417 L HA 0.381 4.721 4.340 0.000 0.000 0.271 417 L C -0.170 176.819 176.870 0.198 0.000 1.002 417 L CA -0.738 54.186 54.840 0.140 0.000 0.818 417 L CB 2.165 44.313 42.059 0.148 0.000 1.298 417 L HN 0.544 nan 8.230 nan 0.000 0.420 418 S N 2.313 118.097 115.700 0.141 0.000 2.545 418 S HA 0.664 5.134 4.470 0.000 0.000 0.275 418 S C -0.769 173.954 174.600 0.205 0.000 1.299 418 S CA -0.385 57.878 58.200 0.104 0.000 1.048 418 S CB 0.162 63.379 63.200 0.027 0.000 0.938 418 S HN 0.375 nan 8.310 nan 0.000 0.496 419 F N 2.443 122.412 119.950 0.032 0.000 2.601 419 F HA 0.797 5.324 4.527 0.000 0.000 0.309 419 F C -0.948 174.872 175.800 0.033 0.000 1.089 419 F CA -1.171 56.851 58.000 0.038 0.000 0.940 419 F CB 1.208 40.236 39.000 0.047 0.000 1.273 419 F HN 0.559 nan 8.300 nan 0.000 0.450 420 K N 1.508 121.978 120.400 0.117 0.000 2.385 420 K HA 0.509 4.829 4.320 0.000 0.000 0.248 420 K C -1.604 175.096 176.600 0.167 0.000 0.955 420 K CA -0.925 55.388 56.287 0.042 0.000 0.816 420 K CB 2.226 34.727 32.500 0.001 0.000 1.250 420 K HN 0.801 nan 8.250 nan 0.000 0.434 421 N N 1.112 119.892 118.700 0.134 0.000 2.472 421 N HA 0.223 4.963 4.740 0.000 0.000 0.277 421 N C -1.183 174.375 175.510 0.081 0.000 1.081 421 N CA -0.592 52.536 53.050 0.129 0.000 0.973 421 N CB 1.489 40.048 38.487 0.120 0.000 1.105 421 N HN 0.228 nan 8.380 nan 0.000 0.470 422 V N 1.977 121.937 119.914 0.077 0.000 2.439 422 V HA 0.389 4.509 4.120 0.000 0.000 0.277 422 V C 0.899 177.023 176.094 0.050 0.000 1.008 422 V CA -0.504 61.830 62.300 0.056 0.000 0.846 422 V CB 0.440 32.296 31.823 0.055 0.000 1.031 422 V HN 1.065 nan 8.190 nan 0.000 0.441 423 G N 5.676 114.500 108.800 0.041 0.000 2.596 423 G HA2 -0.364 3.596 3.960 0.000 0.000 0.304 423 G HA3 -0.364 3.596 3.960 0.000 0.000 0.304 423 G C 0.800 175.724 174.900 0.039 0.000 1.189 423 G CA 1.023 46.144 45.100 0.035 0.000 0.986 423 G HN 0.670 nan 8.290 nan 0.000 0.548 424 K N 1.541 121.963 120.400 0.036 0.000 2.116 424 K HA 0.134 4.454 4.320 0.000 0.000 0.203 424 K C 1.235 177.865 176.600 0.050 0.000 1.052 424 K CA 1.185 57.495 56.287 0.037 0.000 0.952 424 K CB -0.154 32.364 32.500 0.030 0.000 0.729 424 K HN 0.436 nan 8.250 nan 0.000 0.446 425 N N 0.576 119.309 118.700 0.055 0.000 2.364 425 N HA 0.253 4.993 4.740 0.000 0.000 0.264 425 N C -0.916 174.645 175.510 0.086 0.000 1.263 425 N CA -0.515 52.575 53.050 0.067 0.000 0.959 425 N CB 0.520 39.043 38.487 0.061 0.000 1.204 425 N HN -0.019 nan 8.380 nan 0.000 0.550 426 L N -0.193 121.090 121.223 0.099 0.000 2.471 426 L HA 0.331 4.671 4.340 0.000 0.000 0.263 426 L C -0.626 176.326 176.870 0.136 0.000 0.985 426 L CA -0.364 54.553 54.840 0.128 0.000 0.868 426 L CB 0.751 42.881 42.059 0.118 0.000 1.203 426 L HN 0.348 nan 8.230 nan 0.000 0.429 427 E N 4.713 124.996 120.200 0.137 0.000 2.360 427 E HA 0.362 4.712 4.350 0.000 0.000 0.269 427 E C -0.924 175.778 176.600 0.170 0.000 1.022 427 E CA -0.004 56.473 56.400 0.128 0.000 0.887 427 E CB 2.132 31.890 29.700 0.097 0.000 0.990 427 E HN 0.598 nan 8.360 nan 0.000 0.426 428 I N 1.299 121.958 120.570 0.149 0.000 2.802 428 I HA 0.203 4.373 4.170 0.000 0.000 0.298 428 I C -1.114 175.067 176.117 0.107 0.000 1.176 428 I CA -0.367 61.031 61.300 0.163 0.000 1.025 428 I CB 2.507 40.605 38.000 0.164 0.000 1.243 428 I HN 0.397 nan 8.210 nan 0.000 0.424 429 T N 6.385 120.997 114.554 0.097 0.000 2.833 429 T HA 0.492 4.842 4.350 0.000 0.000 0.297 429 T C -1.419 173.309 174.700 0.047 0.000 1.015 429 T CA -0.505 61.630 62.100 0.058 0.000 0.963 429 T CB 0.822 69.718 68.868 0.047 0.000 0.955 429 T HN 0.486 nan 8.240 nan 0.000 0.449 430 V N 6.721 126.648 119.914 0.022 0.000 2.357 430 V HA 0.726 4.846 4.120 0.000 0.000 0.284 430 V C -2.708 173.374 176.094 -0.019 0.000 1.018 430 V CA -2.401 59.903 62.300 0.007 0.000 0.841 430 V CB 1.165 32.992 31.823 0.007 0.000 0.991 430 V HN 0.693 nan 8.190 nan 0.000 0.437 431 P HA 0.089 nan 4.420 nan 0.000 0.267 431 P C 0.636 177.907 177.300 -0.049 0.000 1.201 431 P CA 0.020 63.096 63.100 -0.039 0.000 0.775 431 P CB 0.550 32.220 31.700 -0.050 0.000 0.854 432 K N 2.945 123.323 120.400 -0.035 0.000 2.103 432 K HA -0.220 4.100 4.320 0.000 0.000 0.207 432 K C 1.758 178.334 176.600 -0.041 0.000 1.048 432 K CA 1.580 57.849 56.287 -0.031 0.000 0.930 432 K CB -0.196 32.292 32.500 -0.019 0.000 0.716 432 K HN 0.304 nan 8.250 nan 0.000 0.444 433 K N 0.827 121.196 120.400 -0.052 0.000 2.127 433 K HA -0.164 4.156 4.320 0.000 0.000 0.208 433 K C 2.070 178.614 176.600 -0.095 0.000 1.047 433 K CA 1.468 57.717 56.287 -0.063 0.000 0.927 433 K CB -0.070 32.389 32.500 -0.067 0.000 0.716 433 K HN 0.217 nan 8.250 nan 0.000 0.450 434 L N 0.398 121.528 121.223 -0.155 0.000 2.307 434 L HA -0.050 4.290 4.340 0.000 0.000 0.211 434 L C 2.291 179.114 176.870 -0.079 0.000 1.099 434 L CA 0.219 54.883 54.840 -0.294 0.000 0.816 434 L CB -0.218 41.460 42.059 -0.635 0.000 0.952 434 L HN 0.133 nan 8.230 nan 0.000 0.455 435 L N -0.174 121.032 121.223 -0.028 0.000 2.093 435 L HA -0.160 4.181 4.340 0.000 0.000 0.208 435 L C 2.351 179.248 176.870 0.045 0.000 1.085 435 L CA 1.281 56.136 54.840 0.025 0.000 0.755 435 L CB -0.417 41.636 42.059 -0.011 0.000 0.904 435 L HN 0.279 nan 8.230 nan 0.000 0.435 436 E N -0.611 119.602 120.200 0.022 0.000 2.347 436 E HA -0.114 4.236 4.350 0.000 0.000 0.196 436 E C 1.978 178.607 176.600 0.048 0.000 1.008 436 E CA 1.191 57.609 56.400 0.030 0.000 0.852 436 E CB 0.007 29.713 29.700 0.011 0.000 0.783 436 E HN 0.493 nan 8.360 nan 0.000 0.505 437 T N 0.973 115.559 114.554 0.054 0.000 2.812 437 T HA -0.072 4.278 4.350 0.000 0.000 0.264 437 T C 0.775 175.563 174.700 0.146 0.000 1.042 437 T CA 0.650 62.797 62.100 0.078 0.000 1.140 437 T CB -0.068 68.837 68.868 0.062 0.000 0.870 437 T HN 0.085 nan 8.240 nan 0.000 0.445 438 D N 1.646 122.177 120.400 0.218 0.000 2.382 438 D HA 0.221 4.861 4.640 0.000 0.000 0.240 438 D C -0.250 176.204 176.300 0.256 0.000 1.146 438 D CA 0.393 54.576 54.000 0.306 0.000 0.897 438 D CB 0.962 41.943 40.800 0.301 0.000 1.197 438 D HN 0.103 nan 8.370 nan 0.000 0.432 439 S N 1.224 117.141 115.700 0.362 0.000 2.596 439 S HA 0.434 4.904 4.470 0.000 0.000 0.318 439 S C 1.048 175.863 174.600 0.358 0.000 1.097 439 S CA -0.547 57.839 58.200 0.310 0.000 1.080 439 S CB -0.105 63.280 63.200 0.309 0.000 0.991 439 S HN 0.572 nan 8.310 nan 0.000 0.471 440 I N 1.623 122.318 120.570 0.208 0.000 4.431 440 I HA -0.288 3.882 4.170 0.000 0.000 0.062 440 I C 0.533 176.749 176.117 0.165 0.000 0.596 440 I CA 1.550 62.930 61.300 0.133 0.000 1.045 440 I CB -1.789 36.220 38.000 0.016 0.000 0.935 440 I HN 0.676 nan 8.210 nan 0.000 0.166 441 T N 0.340 114.990 114.554 0.160 0.000 2.861 441 T HA 0.677 5.027 4.350 0.000 0.000 0.287 441 T C -0.767 173.919 174.700 -0.023 0.000 1.003 441 T CA -0.756 61.385 62.100 0.069 0.000 0.977 441 T CB 2.574 71.466 68.868 0.040 0.000 0.996 441 T HN 0.304 nan 8.240 nan 0.000 0.448 442 L N 3.901 125.126 121.223 0.002 0.000 2.360 442 L HA 0.645 4.985 4.340 0.000 0.000 0.276 442 L C -0.933 175.916 176.870 -0.035 0.000 1.121 442 L CA -0.056 54.733 54.840 -0.085 0.000 0.845 442 L CB 0.489 42.319 42.059 -0.382 0.000 1.143 442 L HN 0.651 nan 8.230 nan 0.000 0.452 443 V N 6.861 126.746 119.914 -0.049 0.000 2.483 443 V HA 0.459 4.579 4.120 0.000 0.000 0.297 443 V C 0.215 176.320 176.094 0.018 0.000 1.027 443 V CA -0.575 61.716 62.300 -0.015 0.000 0.855 443 V CB 1.333 33.099 31.823 -0.095 0.000 0.995 443 V HN 0.738 nan 8.190 nan 0.000 0.424 444 L N 2.722 123.993 121.223 0.080 0.000 2.421 444 L HA 0.765 5.105 4.340 0.000 0.000 0.267 444 L C 0.073 177.008 176.870 0.109 0.000 1.036 444 L CA -0.680 54.213 54.840 0.089 0.000 0.829 444 L CB 1.370 43.481 42.059 0.087 0.000 1.437 444 L HN 0.658 nan 8.230 nan 0.000 0.488 445 E N 0.409 120.635 120.200 0.043 0.000 2.712 445 E HA 0.398 4.749 4.350 0.000 0.000 0.372 445 E C -1.369 175.155 176.600 -0.126 0.000 1.058 445 E CA -0.275 56.091 56.400 -0.056 0.000 0.747 445 E CB 1.274 31.037 29.700 0.106 0.000 1.596 445 E HN 0.696 nan 8.360 nan 0.000 0.380 446 A N 1.825 124.524 122.820 -0.202 0.000 2.280 446 A HA 0.747 5.067 4.320 0.000 0.000 0.268 446 A C -0.126 177.349 177.584 -0.180 0.000 1.111 446 A CA -0.270 51.647 52.037 -0.202 0.000 0.814 446 A CB 0.925 19.766 19.000 -0.266 0.000 1.093 446 A HN 0.308 nan 8.150 nan 0.000 0.498 447 V N 0.000 119.849 119.914 -0.109 0.000 2.409 447 V HA 0.000 4.120 4.120 0.000 0.000 0.244 447 V CA 0.000 62.260 62.300 -0.066 0.000 1.235 447 V CB 0.000 31.805 31.823 -0.030 0.000 1.184 447 V HN 0.000 nan 8.190 nan 0.000 0.556