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 3n93_1_B DATA FIRST_RESID -369 DATA SEQUENCE KIEEGKLVIW INGDKGYNGL AEVGKKFEKD TGIKVTVEHP DKLEEKFPQV DATA SEQUENCE AATGDGPDII FWAHDRFGGY AQSGLLAEIT PDKAFQDKLY PFTWDAVRYN DATA SEQUENCE GKLIAYPIAV EALSLIYNKD LLPNPPKTWE EIPALDKELK AKGKSALMFN DATA SEQUENCE LQEPYFTWPL IAADGGYAFK YENGKYDIKD VGVDNAGAKA GLTFLVDLIK DATA SEQUENCE NKHMNADTDY SIAEAAFNKG ETAMTINGPW AWSNIDTSKV NYGVTVLPTF DATA SEQUENCE KGQPSKPFVG VLSAGINAAS PNKELAKEFL ENYLLTDEGL EAVNKDKPLG DATA SEQUENCE AVALKSYEEE LAKDPRIAAT MENAQKGEIM PNIPQMSAFW YAVRTAVINA DATA SEQUENCE ASGRQTVDEA LKDAQTNAAA EFAALLHSLL EANcSLALAE ELLLDXXXXX DATA SEQUENCE XXXXXPYSYc NTTLDQIGTc WPRSAAGALV ERPcPEYFNG VKYNTTRNAY DATA SEQUENCE REcLENGTWA SKINYSQcEP ILDD 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 -369 K HA 0.000 nan 4.320 nan 0.000 0.191 -369 K C 0.000 176.566 176.600 -0.056 0.000 0.988 -369 K CA 0.000 56.256 56.287 -0.052 0.000 0.838 -369 K CB 0.000 32.478 32.500 -0.037 0.000 1.064 -368 I N 1.478 122.010 120.570 -0.063 0.000 2.396 -368 I HA 0.171 4.340 4.170 -0.002 0.000 0.292 -368 I C 1.060 177.151 176.117 -0.042 0.000 0.999 -368 I CA -0.348 60.915 61.300 -0.062 0.000 1.310 -368 I CB 0.905 38.856 38.000 -0.082 0.000 1.404 -368 I HN 0.340 nan 8.210 nan 0.000 0.496 -367 E N 5.487 125.666 120.200 -0.034 0.000 2.406 -367 E HA -0.065 4.284 4.350 -0.002 0.000 0.258 -367 E C -0.135 176.451 176.600 -0.022 0.000 1.043 -367 E CA -0.014 56.372 56.400 -0.023 0.000 0.929 -367 E CB 0.431 30.121 29.700 -0.017 0.000 0.969 -367 E HN 0.553 nan 8.360 nan 0.000 0.462 -366 E N 2.749 122.938 120.200 -0.017 0.000 2.344 -366 E HA 0.170 4.519 4.350 -0.002 0.000 0.270 -366 E C 0.448 177.045 176.600 -0.006 0.000 1.021 -366 E CA 0.697 57.090 56.400 -0.012 0.000 0.887 -366 E CB 0.421 30.115 29.700 -0.010 0.000 0.997 -366 E HN 0.740 nan 8.360 nan 0.000 0.429 -365 G N 3.763 112.563 108.800 -0.000 0.000 2.138 -365 G HA2 -0.232 3.727 3.960 -0.002 0.000 0.193 -365 G HA3 -0.232 3.727 3.960 -0.002 0.000 0.193 -365 G C -0.383 174.522 174.900 0.009 0.000 0.998 -365 G CA 0.289 45.393 45.100 0.005 0.000 0.668 -365 G HN 0.694 nan 8.290 nan 0.000 0.516 -364 K N -0.912 119.490 120.400 0.004 0.000 2.522 -364 K HA 0.868 5.187 4.320 -0.002 0.000 0.275 -364 K C -0.883 175.702 176.600 -0.024 0.000 1.006 -364 K CA -1.299 54.989 56.287 0.001 0.000 0.890 -364 K CB 1.543 34.039 32.500 -0.007 0.000 1.475 -364 K HN 0.105 nan 8.250 nan 0.000 0.441 -363 L N 1.878 123.066 121.223 -0.060 0.000 2.333 -363 L HA 0.523 4.862 4.340 -0.002 0.000 0.280 -363 L C -1.126 175.666 176.870 -0.129 0.000 1.004 -363 L CA -1.355 53.400 54.840 -0.142 0.000 0.820 -363 L CB 2.029 43.898 42.059 -0.315 0.000 1.247 -363 L HN 0.442 nan 8.230 nan 0.000 0.416 -362 V N 5.252 125.101 119.914 -0.107 0.000 2.384 -362 V HA 0.492 4.611 4.120 -0.002 0.000 0.287 -362 V C 0.025 176.083 176.094 -0.061 0.000 1.020 -362 V CA -0.307 61.959 62.300 -0.057 0.000 0.850 -362 V CB 2.006 33.800 31.823 -0.047 0.000 0.987 -362 V HN 0.509 nan 8.190 nan 0.000 0.436 -361 I N 3.688 124.291 120.570 0.055 0.000 2.569 -361 I HA 0.491 4.660 4.170 -0.002 0.000 0.296 -361 I C -1.143 175.239 176.117 0.442 0.000 1.028 -361 I CA -0.478 60.919 61.300 0.161 0.000 1.082 -361 I CB 2.262 40.357 38.000 0.159 0.000 1.264 -361 I HN 0.480 nan 8.210 nan 0.000 0.429 -360 W N 6.835 128.214 121.300 0.132 0.000 2.475 -360 W HA 0.714 5.373 4.660 -0.001 0.000 0.317 -360 W C -0.438 176.221 176.519 0.233 0.000 1.046 -360 W CA -0.958 56.461 57.345 0.124 0.000 1.215 -360 W CB 1.317 30.820 29.460 0.073 0.000 1.335 -360 W HN 0.210 nan 8.180 nan 0.000 0.471 -359 I N 2.872 123.642 120.570 0.333 0.000 2.894 -359 I HA 0.327 4.496 4.170 -0.002 0.000 0.302 -359 I C -0.462 175.745 176.117 0.149 0.000 1.188 -359 I CA -0.922 60.527 61.300 0.248 0.000 1.014 -359 I CB 1.920 39.923 38.000 0.004 0.000 1.242 -359 I HN 0.224 nan 8.210 nan 0.000 0.430 -358 N N 2.839 121.609 118.700 0.117 0.000 2.508 -358 N HA 0.236 4.975 4.740 -0.002 0.000 0.264 -358 N C 1.012 176.497 175.510 -0.041 0.000 1.216 -358 N CA 1.022 54.093 53.050 0.036 0.000 0.943 -358 N CB 1.606 40.012 38.487 -0.136 0.000 1.113 -358 N HN 0.736 nan 8.380 nan 0.000 0.447 -357 G N 1.212 109.986 108.800 -0.044 0.000 2.479 -357 G HA2 -0.263 3.696 3.960 -0.002 0.000 0.220 -357 G HA3 -0.263 3.696 3.960 -0.002 0.000 0.220 -357 G C 0.790 175.690 174.900 0.000 0.000 1.115 -357 G CA 1.034 46.109 45.100 -0.040 0.000 0.757 -357 G HN 0.828 nan 8.290 nan 0.000 0.560 -356 D N -0.290 120.007 120.400 -0.170 0.000 2.355 -356 D HA 0.038 4.677 4.640 -0.002 0.000 0.218 -356 D C 0.917 177.101 176.300 -0.193 0.000 1.004 -356 D CA 0.326 54.184 54.000 -0.236 0.000 0.880 -356 D CB 0.154 40.618 40.800 -0.561 0.000 0.911 -356 D HN 0.070 nan 8.370 nan 0.000 0.528 -355 K N 0.170 120.474 120.400 -0.161 0.000 2.177 -355 K HA 0.506 4.825 4.320 -0.002 0.000 0.238 -355 K C 0.903 177.447 176.600 -0.092 0.000 1.015 -355 K CA -0.741 55.474 56.287 -0.120 0.000 0.922 -355 K CB 0.625 33.024 32.500 -0.169 0.000 1.127 -355 K HN 0.004 nan 8.250 nan 0.000 0.469 -354 G N 1.748 110.482 108.800 -0.111 0.000 3.197 -354 G HA2 0.045 4.004 3.960 -0.002 0.000 0.257 -354 G HA3 0.045 4.004 3.960 -0.002 0.000 0.257 -354 G C 0.766 175.569 174.900 -0.163 0.000 0.835 -354 G CA -0.118 44.884 45.100 -0.164 0.000 2.001 -354 G HN 0.607 nan 8.290 nan 0.000 0.625 -353 Y N -0.600 119.619 120.300 -0.135 0.000 2.421 -353 Y HA -0.056 4.493 4.550 -0.002 0.000 0.292 -353 Y C 1.953 177.816 175.900 -0.061 0.000 1.136 -353 Y CA 1.016 59.044 58.100 -0.119 0.000 1.255 -353 Y CB -0.484 37.887 38.460 -0.148 0.000 0.991 -353 Y HN 0.348 nan 8.280 nan 0.000 0.552 -352 N N 0.621 119.167 118.700 -0.257 0.000 2.300 -352 N HA -0.004 4.735 4.740 -0.002 0.000 0.179 -352 N C 2.178 177.666 175.510 -0.037 0.000 1.016 -352 N CA 0.955 53.945 53.050 -0.100 0.000 0.876 -352 N CB -0.421 37.951 38.487 -0.191 0.000 0.979 -352 N HN 0.536 nan 8.380 nan 0.000 0.432 -351 G N 1.223 109.983 108.800 -0.067 0.000 2.433 -351 G HA2 -0.232 3.727 3.960 -0.002 0.000 0.216 -351 G HA3 -0.232 3.727 3.960 -0.002 0.000 0.216 -351 G C 1.435 176.345 174.900 0.015 0.000 1.186 -351 G CA 0.476 45.562 45.100 -0.023 0.000 0.779 -351 G HN 0.152 nan 8.290 nan 0.000 0.543 -350 L N 1.349 122.578 121.223 0.010 0.000 2.043 -350 L HA -0.012 4.327 4.340 -0.002 0.000 0.212 -350 L C 3.134 180.084 176.870 0.132 0.000 1.075 -350 L CA 2.265 57.140 54.840 0.059 0.000 0.752 -350 L CB -0.532 41.526 42.059 -0.002 0.000 0.891 -350 L HN 0.256 nan 8.230 nan 0.000 0.432 -349 A N -1.279 121.609 122.820 0.114 0.000 1.972 -349 A HA -0.219 4.100 4.320 -0.002 0.000 0.219 -349 A C 2.154 179.808 177.584 0.117 0.000 1.169 -349 A CA 1.719 53.828 52.037 0.121 0.000 0.635 -349 A CB -0.543 18.532 19.000 0.124 0.000 0.810 -349 A HN 0.591 nan 8.150 nan 0.000 0.446 -348 E N -0.425 119.834 120.200 0.098 0.000 2.106 -348 E HA -0.101 4.248 4.350 -0.002 0.000 0.192 -348 E C 1.917 178.595 176.600 0.132 0.000 0.984 -348 E CA 1.189 57.646 56.400 0.095 0.000 0.806 -348 E CB -0.194 29.544 29.700 0.064 0.000 0.750 -348 E HN 0.400 nan 8.360 nan 0.000 0.458 -347 V N 0.696 120.699 119.914 0.149 0.000 2.407 -347 V HA -0.222 3.897 4.120 -0.002 0.000 0.248 -347 V C 2.321 178.618 176.094 0.337 0.000 1.055 -347 V CA 1.912 64.332 62.300 0.200 0.000 1.049 -347 V CB -1.073 30.823 31.823 0.121 0.000 0.662 -347 V HN 0.427 nan 8.190 nan 0.000 0.455 -346 G N -0.249 108.755 108.800 0.340 0.000 2.442 -346 G HA2 -0.283 3.676 3.960 -0.002 0.000 0.219 -346 G HA3 -0.283 3.676 3.960 -0.002 0.000 0.219 -346 G C 1.676 176.702 174.900 0.209 0.000 1.141 -346 G CA 0.975 46.233 45.100 0.262 0.000 0.763 -346 G HN 0.474 nan 8.290 nan 0.000 0.554 -345 K N 0.015 120.515 120.400 0.166 0.000 2.217 -345 K HA 0.059 4.378 4.320 -0.002 0.000 0.202 -345 K C 2.337 179.024 176.600 0.146 0.000 1.051 -345 K CA 0.964 57.329 56.287 0.130 0.000 0.952 -345 K CB -0.019 32.539 32.500 0.097 0.000 0.736 -345 K HN 0.316 nan 8.250 nan 0.000 0.453 -344 K N 0.200 120.717 120.400 0.196 0.000 2.001 -344 K HA -0.158 4.161 4.320 -0.002 0.000 0.208 -344 K C 1.882 178.628 176.600 0.243 0.000 1.048 -344 K CA 1.306 57.735 56.287 0.238 0.000 0.932 -344 K CB -0.201 32.487 32.500 0.312 0.000 0.715 -344 K HN -0.005 nan 8.250 nan 0.000 0.437 -343 F N 2.415 122.348 119.950 -0.028 0.000 2.095 -343 F HA -0.218 4.308 4.527 -0.002 0.000 0.298 -343 F C 2.370 178.098 175.800 -0.119 0.000 1.104 -343 F CA 2.069 59.881 58.000 -0.312 0.000 1.232 -343 F CB -0.280 38.576 39.000 -0.239 0.000 0.987 -343 F HN 0.234 nan 8.300 nan 0.000 0.475 -342 E N 0.162 120.411 120.200 0.082 0.000 2.077 -342 E HA -0.315 4.034 4.350 -0.002 0.000 0.193 -342 E C 2.242 178.824 176.600 -0.031 0.000 0.989 -342 E CA 1.454 57.857 56.400 0.004 0.000 0.800 -342 E CB -0.180 29.556 29.700 0.061 0.000 0.746 -342 E HN 0.272 nan 8.360 nan 0.000 0.452 -341 K N 1.128 121.537 120.400 0.016 0.000 2.063 -341 K HA -0.194 4.126 4.320 -0.002 0.000 0.208 -341 K C 1.418 178.014 176.600 -0.007 0.000 1.048 -341 K CA 2.277 58.575 56.287 0.018 0.000 0.928 -341 K CB -0.192 32.340 32.500 0.052 0.000 0.713 -341 K HN 0.075 nan 8.250 nan 0.000 0.442 -340 D N -1.214 119.174 120.400 -0.021 0.000 2.137 -340 D HA -0.055 4.584 4.640 -0.002 0.000 0.202 -340 D C 1.636 177.863 176.300 -0.122 0.000 0.970 -340 D CA 1.954 55.938 54.000 -0.027 0.000 0.837 -340 D CB 0.040 40.887 40.800 0.079 0.000 0.981 -340 D HN 0.576 nan 8.370 nan 0.000 0.475 -339 T N -4.630 109.764 114.554 -0.266 0.000 2.969 -339 T HA 0.357 4.706 4.350 -0.002 0.000 0.250 -339 T C 1.663 176.240 174.700 -0.204 0.000 1.021 -339 T CA 0.580 62.492 62.100 -0.313 0.000 1.003 -339 T CB 0.809 69.290 68.868 -0.646 0.000 1.040 -339 T HN 0.162 nan 8.240 nan 0.000 0.492 -338 G N 1.714 110.418 108.800 -0.160 0.000 2.136 -338 G HA2 -0.145 3.815 3.960 -0.002 0.000 0.242 -338 G HA3 -0.145 3.815 3.960 -0.002 0.000 0.242 -338 G C -0.130 174.728 174.900 -0.070 0.000 0.989 -338 G CA 0.006 45.054 45.100 -0.086 0.000 0.682 -338 G HN 0.547 nan 8.290 nan 0.000 0.522 -337 I N 1.144 121.655 120.570 -0.098 0.000 2.328 -337 I HA 0.312 4.481 4.170 -0.002 0.000 0.287 -337 I C 0.775 176.932 176.117 0.066 0.000 1.012 -337 I CA -1.250 60.044 61.300 -0.011 0.000 1.195 -337 I CB 1.225 39.238 38.000 0.022 0.000 1.350 -337 I HN 0.132 nan 8.210 nan 0.000 0.464 -336 K N 5.253 125.677 120.400 0.039 0.000 2.448 -336 K HA 0.305 4.624 4.320 -0.002 0.000 0.278 -336 K C -0.921 175.694 176.600 0.025 0.000 1.009 -336 K CA -0.080 56.229 56.287 0.037 0.000 0.995 -336 K CB 0.770 33.281 32.500 0.018 0.000 0.917 -336 K HN 0.368 nan 8.250 nan 0.000 0.481 -335 V N 3.854 123.774 119.914 0.009 0.000 2.407 -335 V HA 0.192 4.311 4.120 -0.002 0.000 0.291 -335 V C -0.558 175.515 176.094 -0.035 0.000 1.018 -335 V CA -0.835 61.419 62.300 -0.077 0.000 0.842 -335 V CB 1.690 33.414 31.823 -0.165 0.000 0.996 -335 V HN 0.808 nan 8.190 nan 0.000 0.426 -334 T N 4.466 119.001 114.554 -0.031 0.000 2.770 -334 T HA 0.474 4.823 4.350 -0.002 0.000 0.297 -334 T C -0.163 174.564 174.700 0.046 0.000 0.997 -334 T CA -0.346 61.765 62.100 0.019 0.000 0.949 -334 T CB 1.380 70.267 68.868 0.032 0.000 0.941 -334 T HN 0.317 nan 8.240 nan 0.000 0.457 -333 V N 4.440 124.397 119.914 0.070 0.000 2.383 -333 V HA 0.370 4.489 4.120 -0.002 0.000 0.275 -333 V C 0.234 176.394 176.094 0.110 0.000 1.036 -333 V CA -0.467 61.901 62.300 0.113 0.000 0.889 -333 V CB 1.121 33.019 31.823 0.125 0.000 0.985 -333 V HN 0.834 nan 8.190 nan 0.000 0.459 -332 E N 2.496 122.769 120.200 0.121 0.000 2.299 -332 E HA 0.586 4.935 4.350 -0.002 0.000 0.265 -332 E C -1.099 175.430 176.600 -0.118 0.000 0.911 -332 E CA -0.794 55.575 56.400 -0.050 0.000 0.789 -332 E CB 1.944 31.598 29.700 -0.076 0.000 1.246 -332 E HN 0.966 nan 8.360 nan 0.000 0.427 -331 H N -0.723 118.132 119.070 -0.358 0.000 2.380 -331 H HA 0.399 4.954 4.556 -0.002 0.000 0.231 -331 H C -2.696 172.405 175.328 -0.378 0.000 1.415 -331 H CA -2.281 53.541 56.048 -0.377 0.000 1.433 -331 H CB -0.398 29.049 29.762 -0.525 0.000 1.544 -331 H HN 0.142 nan 8.280 nan 0.000 0.503 -330 P HA 0.063 nan 4.420 nan 0.000 0.272 -330 P C 0.147 177.260 177.300 -0.313 0.000 1.223 -330 P CA -0.188 62.599 63.100 -0.521 0.000 0.784 -330 P CB 1.003 32.203 31.700 -0.833 0.000 0.923 -329 D N 0.914 121.178 120.400 -0.228 0.000 2.358 -329 D HA 0.079 4.718 4.640 -0.002 0.000 0.244 -329 D C 0.124 176.342 176.300 -0.136 0.000 1.163 -329 D CA -0.156 53.765 54.000 -0.131 0.000 0.945 -329 D CB 0.304 41.050 40.800 -0.091 0.000 1.152 -329 D HN 0.258 nan 8.370 nan 0.000 0.451 -328 K N 0.529 120.878 120.400 -0.085 0.000 3.071 -328 K HA -0.228 4.092 4.320 -0.002 0.000 0.262 -328 K C 0.953 177.456 176.600 -0.161 0.000 0.977 -328 K CA -0.055 56.170 56.287 -0.103 0.000 0.721 -328 K CB -1.046 31.406 32.500 -0.081 0.000 1.293 -328 K HN 0.354 nan 8.250 nan 0.000 0.475 -327 L N 2.016 123.138 121.223 -0.168 0.000 2.013 -327 L HA -0.243 4.096 4.340 -0.002 0.000 0.212 -327 L C 2.595 179.320 176.870 -0.242 0.000 1.073 -327 L CA 2.561 57.302 54.840 -0.164 0.000 0.753 -327 L CB -0.278 41.791 42.059 0.018 0.000 0.890 -327 L HN 0.442 nan 8.230 nan 0.000 0.432 -326 E N -0.727 119.070 120.200 -0.671 0.000 2.338 -326 E HA -0.224 4.126 4.350 -0.002 0.000 0.197 -326 E C 1.603 178.068 176.600 -0.225 0.000 1.007 -326 E CA 1.493 57.455 56.400 -0.730 0.000 0.849 -326 E CB -0.271 28.491 29.700 -1.564 0.000 0.774 -326 E HN 0.741 nan 8.360 nan 0.000 0.506 -325 E N 0.651 120.753 120.200 -0.163 0.000 2.162 -325 E HA 0.061 4.411 4.350 -0.002 0.000 0.193 -325 E C 1.940 178.536 176.600 -0.006 0.000 0.953 -325 E CA 0.095 56.462 56.400 -0.054 0.000 0.849 -325 E CB 0.134 29.798 29.700 -0.061 0.000 0.810 -325 E HN 0.074 nan 8.360 nan 0.000 0.470 -324 K N 0.380 120.782 120.400 0.004 0.000 2.280 -324 K HA -0.134 4.185 4.320 -0.002 0.000 0.202 -324 K C 1.756 178.485 176.600 0.215 0.000 1.047 -324 K CA 0.620 56.947 56.287 0.068 0.000 0.942 -324 K CB 0.003 32.497 32.500 -0.009 0.000 0.739 -324 K HN 0.021 nan 8.250 nan 0.000 0.457 -323 F N 2.482 122.462 119.950 0.050 0.000 2.060 -323 F HA -0.051 4.475 4.527 -0.002 0.000 0.295 -323 F C -1.276 174.377 175.800 -0.245 0.000 1.120 -323 F CA 0.661 58.609 58.000 -0.088 0.000 1.205 -323 F CB -0.795 38.019 39.000 -0.310 0.000 0.986 -323 F HN 0.013 nan 8.300 nan 0.000 0.470 -322 P HA -0.168 nan 4.420 nan 0.000 0.220 -322 P C 1.201 178.339 177.300 -0.270 0.000 1.148 -322 P CA 1.559 64.436 63.100 -0.372 0.000 0.803 -322 P CB -0.244 31.418 31.700 -0.064 0.000 0.782 -321 Q N -0.025 119.676 119.800 -0.165 0.000 2.020 -321 Q HA -0.111 4.228 4.340 -0.002 0.000 0.202 -321 Q C 2.314 178.222 176.000 -0.153 0.000 0.982 -321 Q CA 2.221 57.953 55.803 -0.119 0.000 0.838 -321 Q CB -0.725 27.978 28.738 -0.058 0.000 0.899 -321 Q HN 0.246 nan 8.270 nan 0.000 0.423 -320 V N -2.157 117.651 119.914 -0.176 0.000 2.302 -320 V HA -0.008 4.111 4.120 -0.002 0.000 0.243 -320 V C 2.223 178.118 176.094 -0.332 0.000 1.036 -320 V CA 1.476 63.662 62.300 -0.191 0.000 1.020 -320 V CB -1.344 30.425 31.823 -0.091 0.000 0.657 -320 V HN 0.261 nan 8.190 nan 0.000 0.453 -319 A N 0.870 123.328 122.820 -0.603 0.000 2.024 -319 A HA -0.029 4.290 4.320 -0.002 0.000 0.220 -319 A C 2.475 179.802 177.584 -0.427 0.000 1.164 -319 A CA 2.510 54.132 52.037 -0.691 0.000 0.643 -319 A CB -1.103 17.070 19.000 -1.377 0.000 0.806 -319 A HN 1.041 nan 8.150 nan 0.000 0.451 -318 A N -0.187 122.423 122.820 -0.351 0.000 1.908 -318 A HA -0.171 4.148 4.320 -0.002 0.000 0.218 -318 A C 2.451 179.942 177.584 -0.155 0.000 1.181 -318 A CA 2.658 54.569 52.037 -0.210 0.000 0.627 -318 A CB -1.396 17.510 19.000 -0.158 0.000 0.818 -318 A HN 0.873 nan 8.150 nan 0.000 0.445 -317 T N -4.336 110.124 114.554 -0.155 0.000 3.023 -317 T HA 0.348 4.697 4.350 -0.002 0.000 0.266 -317 T C 1.343 175.979 174.700 -0.108 0.000 1.093 -317 T CA 1.321 63.355 62.100 -0.110 0.000 1.129 -317 T CB -0.150 68.660 68.868 -0.096 0.000 0.899 -317 T HN 1.862 nan 8.240 nan 0.000 0.491 -316 G N 0.777 109.491 108.800 -0.142 0.000 2.173 -316 G HA2 -0.046 3.913 3.960 -0.002 0.000 0.174 -316 G HA3 -0.046 3.913 3.960 -0.002 0.000 0.174 -316 G C -0.460 174.362 174.900 -0.130 0.000 1.025 -316 G CA -0.007 45.017 45.100 -0.125 0.000 0.706 -316 G HN 0.850 nan 8.290 nan 0.000 0.499 -315 D N -1.403 118.895 120.400 -0.170 0.000 2.732 -315 D HA 0.812 5.451 4.640 -0.002 0.000 0.292 -315 D C 0.887 177.039 176.300 -0.246 0.000 1.135 -315 D CA 1.198 55.102 54.000 -0.160 0.000 1.071 -315 D CB 1.229 41.962 40.800 -0.112 0.000 1.457 -315 D HN 1.509 nan 8.370 nan 0.000 0.547 -314 G N -0.247 108.408 108.800 -0.242 0.000 2.416 -314 G HA2 0.017 3.976 3.960 -0.002 0.000 0.203 -314 G HA3 0.017 3.976 3.960 -0.002 0.000 0.203 -314 G C -2.650 171.925 174.900 -0.541 0.000 1.227 -314 G CA -0.315 44.514 45.100 -0.453 0.000 1.041 -314 G HN 0.614 nan 8.290 nan 0.000 0.546 -313 P HA 0.378 nan 4.420 nan 0.000 0.281 -313 P C -0.111 176.993 177.300 -0.326 0.000 1.264 -313 P CA -0.283 62.400 63.100 -0.696 0.000 0.824 -313 P CB 1.234 32.236 31.700 -1.164 0.000 1.092 -312 D N 0.165 120.438 120.400 -0.213 0.000 2.149 -312 D HA 0.032 4.671 4.640 -0.002 0.000 0.201 -312 D C 0.667 176.914 176.300 -0.089 0.000 0.972 -312 D CA 1.434 55.360 54.000 -0.122 0.000 0.835 -312 D CB 0.325 41.062 40.800 -0.104 0.000 0.966 -312 D HN 0.361 nan 8.370 nan 0.000 0.476 -311 I N 0.810 121.319 120.570 -0.102 0.000 2.647 -311 I HA 0.354 4.523 4.170 -0.002 0.000 0.295 -311 I C -0.635 175.434 176.117 -0.080 0.000 1.078 -311 I CA -0.761 60.500 61.300 -0.064 0.000 1.048 -311 I CB 3.335 41.341 38.000 0.010 0.000 1.239 -311 I HN -0.185 nan 8.210 nan 0.000 0.421 -310 I N 4.681 125.145 120.570 -0.177 0.000 2.545 -310 I HA 0.485 4.654 4.170 -0.002 0.000 0.292 -310 I C -1.667 174.440 176.117 -0.018 0.000 1.040 -310 I CA -0.558 60.650 61.300 -0.155 0.000 1.068 -310 I CB 2.100 39.633 38.000 -0.778 0.000 1.251 -310 I HN 0.421 nan 8.210 nan 0.000 0.424 -309 F N 7.529 127.620 119.950 0.234 0.000 2.426 -309 F HA 0.533 5.060 4.527 -0.002 0.000 0.348 -309 F C -0.426 175.643 175.800 0.448 0.000 1.124 -309 F CA -0.113 58.066 58.000 0.300 0.000 1.008 -309 F CB 1.301 40.415 39.000 0.190 0.000 1.139 -309 F HN 0.418 nan 8.300 nan 0.000 0.452 -308 W N 2.038 123.553 121.300 0.359 0.000 3.057 -308 W HA 0.579 5.238 4.660 -0.002 0.000 0.328 -308 W C -1.324 175.272 176.519 0.128 0.000 1.232 -308 W CA -1.269 56.227 57.345 0.253 0.000 1.187 -308 W CB 1.363 31.022 29.460 0.331 0.000 1.417 -308 W HN 0.626 nan 8.180 nan 0.000 0.569 -307 A N 2.494 125.212 122.820 -0.171 0.000 2.507 -307 A HA 0.004 4.323 4.320 -0.002 0.000 0.235 -307 A C 1.339 178.985 177.584 0.103 0.000 1.070 -307 A CA 1.050 53.056 52.037 -0.052 0.000 0.768 -307 A CB -0.131 18.764 19.000 -0.174 0.000 1.011 -307 A HN 0.764 nan 8.150 nan 0.000 0.502 -306 H N 1.336 120.335 119.070 -0.118 0.000 2.521 -306 H HA -0.128 4.427 4.556 -0.002 0.000 0.286 -306 H C 1.052 176.414 175.328 0.056 0.000 1.034 -306 H CA 1.295 57.222 56.048 -0.201 0.000 1.278 -306 H CB -0.417 29.229 29.762 -0.194 0.000 1.386 -306 H HN 0.832 nan 8.280 nan 0.000 0.567 -305 D N 1.821 121.913 120.400 -0.514 0.000 2.182 -305 D HA -0.211 4.428 4.640 -0.002 0.000 0.201 -305 D C 1.742 177.995 176.300 -0.079 0.000 0.986 -305 D CA 0.714 54.517 54.000 -0.328 0.000 0.847 -305 D CB -0.522 40.171 40.800 -0.179 0.000 0.942 -305 D HN 0.366 nan 8.370 nan 0.000 0.467 -304 R N -1.418 119.102 120.500 0.033 0.000 2.334 -304 R HA 0.163 4.503 4.340 -0.002 0.000 0.220 -304 R C 1.106 177.061 176.300 -0.575 0.000 0.917 -304 R CA -0.225 55.736 56.100 -0.231 0.000 1.073 -304 R CB 0.013 30.125 30.300 -0.313 0.000 1.056 -304 R HN 0.107 nan 8.270 nan 0.000 0.506 -303 F N -0.788 118.914 119.950 -0.413 0.000 2.473 -303 F HA 0.165 4.691 4.527 -0.002 0.000 0.294 -303 F C 2.366 177.981 175.800 -0.309 0.000 1.103 -303 F CA 0.708 58.527 58.000 -0.303 0.000 1.442 -303 F CB -0.548 38.432 39.000 -0.032 0.000 1.097 -303 F HN 0.063 nan 8.300 nan 0.000 0.547 -302 G N 0.078 108.734 108.800 -0.240 0.000 2.476 -302 G HA2 -0.251 3.708 3.960 -0.002 0.000 0.218 -302 G HA3 -0.251 3.708 3.960 -0.002 0.000 0.218 -302 G C 2.090 176.646 174.900 -0.573 0.000 1.164 -302 G CA 0.982 45.670 45.100 -0.687 0.000 0.768 -302 G HN 0.487 nan 8.290 nan 0.000 0.560 -301 G N -0.366 108.190 108.800 -0.407 0.000 2.450 -301 G HA2 -0.166 3.793 3.960 -0.002 0.000 0.220 -301 G HA3 -0.166 3.793 3.960 -0.002 0.000 0.220 -301 G C 1.600 176.436 174.900 -0.108 0.000 1.130 -301 G CA 1.079 46.013 45.100 -0.276 0.000 0.760 -301 G HN 0.444 nan 8.290 nan 0.000 0.557 -300 Y N 0.802 121.031 120.300 -0.119 0.000 2.314 -300 Y HA 0.318 4.867 4.550 -0.002 0.000 0.294 -300 Y C 2.964 178.836 175.900 -0.045 0.000 1.119 -300 Y CA -0.257 57.798 58.100 -0.074 0.000 1.179 -300 Y CB -0.969 37.439 38.460 -0.087 0.000 1.025 -300 Y HN 0.242 nan 8.280 nan 0.000 0.541 -299 A N -0.169 122.700 122.820 0.082 0.000 1.898 -299 A HA -0.227 4.092 4.320 -0.002 0.000 0.216 -299 A C 2.179 179.834 177.584 0.119 0.000 1.181 -299 A CA 1.786 53.888 52.037 0.109 0.000 0.620 -299 A CB -0.645 18.436 19.000 0.136 0.000 0.819 -299 A HN 0.366 nan 8.150 nan 0.000 0.442 -298 Q N 0.316 120.150 119.800 0.057 0.000 2.084 -298 Q HA -0.085 4.254 4.340 -0.002 0.000 0.202 -298 Q C 2.032 178.079 176.000 0.079 0.000 0.978 -298 Q CA 2.080 57.950 55.803 0.112 0.000 0.844 -298 Q CB -0.384 28.393 28.738 0.064 0.000 0.898 -298 Q HN 0.547 nan 8.270 nan 0.000 0.426 -297 S N -0.610 115.124 115.700 0.057 0.000 2.603 -297 S HA 0.126 4.595 4.470 -0.002 0.000 0.229 -297 S C 0.899 175.516 174.600 0.029 0.000 0.972 -297 S CA 0.609 58.833 58.200 0.040 0.000 0.935 -297 S CB -0.375 62.845 63.200 0.033 0.000 0.769 -297 S HN 0.677 nan 8.310 nan 0.000 0.536 -296 G N 1.406 110.237 108.800 0.052 0.000 2.314 -296 G HA2 -0.234 3.725 3.960 -0.002 0.000 0.292 -296 G HA3 -0.234 3.725 3.960 -0.002 0.000 0.292 -296 G C 0.329 175.236 174.900 0.012 0.000 1.059 -296 G CA 0.317 45.443 45.100 0.043 0.000 0.982 -296 G HN 0.541 nan 8.290 nan 0.000 0.505 -295 L N -1.564 119.669 121.223 0.017 0.000 2.664 -295 L HA 0.418 4.757 4.340 -0.002 0.000 0.233 -295 L C 1.195 178.081 176.870 0.028 0.000 1.113 -295 L CA 0.008 54.819 54.840 -0.049 0.000 0.896 -295 L CB 0.219 42.171 42.059 -0.179 0.000 1.163 -295 L HN 0.215 nan 8.230 nan 0.000 0.497 -294 L N 0.685 121.961 121.223 0.089 0.000 2.307 -294 L HA 0.603 4.942 4.340 -0.002 0.000 0.284 -294 L C 0.358 177.282 176.870 0.089 0.000 1.023 -294 L CA -0.512 54.396 54.840 0.114 0.000 0.810 -294 L CB 1.855 44.008 42.059 0.157 0.000 1.231 -294 L HN -0.031 nan 8.230 nan 0.000 0.423 -293 A N 2.696 125.563 122.820 0.079 0.000 2.371 -293 A HA 0.191 4.510 4.320 -0.002 0.000 0.257 -293 A C 0.040 177.668 177.584 0.074 0.000 1.089 -293 A CA -0.327 51.750 52.037 0.066 0.000 0.794 -293 A CB 0.382 19.417 19.000 0.058 0.000 1.029 -293 A HN 0.765 nan 8.150 nan 0.000 0.488 -292 E N 1.995 122.231 120.200 0.061 0.000 2.166 -292 E HA 0.293 4.642 4.350 -0.002 0.000 0.279 -292 E C -0.022 176.600 176.600 0.036 0.000 1.095 -292 E CA -0.306 56.125 56.400 0.051 0.000 0.888 -292 E CB 0.114 29.840 29.700 0.043 0.000 1.041 -292 E HN 0.563 nan 8.360 nan 0.000 0.414 -291 I N 2.099 122.674 120.570 0.009 0.000 2.779 -291 I HA 0.189 4.358 4.170 -0.002 0.000 0.285 -291 I C 0.195 176.302 176.117 -0.017 0.000 1.134 -291 I CA -0.232 61.058 61.300 -0.017 0.000 1.398 -291 I CB 1.147 38.999 38.000 -0.246 0.000 1.404 -291 I HN 0.354 nan 8.210 nan 0.000 0.587 -290 T N 2.062 116.633 114.554 0.029 0.000 3.542 -290 T HA 0.539 4.888 4.350 -0.002 0.000 0.276 -290 T C -2.437 172.282 174.700 0.033 0.000 1.412 -290 T CA -1.176 60.932 62.100 0.014 0.000 1.664 -290 T CB -0.015 68.865 68.868 0.020 0.000 0.863 -290 T HN 0.560 nan 8.240 nan 0.000 0.661 -289 P HA 0.515 nan 4.420 nan 0.000 0.279 -289 P C -0.464 176.851 177.300 0.025 0.000 1.252 -289 P CA -0.356 62.793 63.100 0.082 0.000 0.811 -289 P CB 0.840 32.716 31.700 0.294 0.000 1.035 -288 D N -0.407 120.031 120.400 0.064 0.000 2.478 -288 D HA 0.209 4.848 4.640 -0.002 0.000 0.263 -288 D C 1.115 177.430 176.300 0.026 0.000 1.153 -288 D CA -0.613 53.404 54.000 0.027 0.000 1.038 -288 D CB 0.486 41.306 40.800 0.033 0.000 1.120 -288 D HN -0.042 nan 8.370 nan 0.000 0.564 -287 K N -0.138 120.260 120.400 -0.003 0.000 2.034 -287 K HA -0.211 4.109 4.320 -0.002 0.000 0.214 -287 K C 2.015 178.632 176.600 0.027 0.000 1.051 -287 K CA 1.834 58.113 56.287 -0.014 0.000 0.931 -287 K CB -0.993 31.501 32.500 -0.010 0.000 0.715 -287 K HN 0.606 nan 8.250 nan 0.000 0.446 -286 A N -0.219 122.639 122.820 0.063 0.000 2.024 -286 A HA -0.173 4.146 4.320 -0.002 0.000 0.220 -286 A C 2.087 179.756 177.584 0.142 0.000 1.164 -286 A CA 1.410 53.499 52.037 0.086 0.000 0.643 -286 A CB -0.557 18.496 19.000 0.088 0.000 0.806 -286 A HN 0.380 nan 8.150 nan 0.000 0.451 -285 F N -0.274 119.701 119.950 0.041 0.000 2.446 -285 F HA 0.034 4.560 4.527 -0.002 0.000 0.292 -285 F C 2.384 178.290 175.800 0.177 0.000 1.096 -285 F CA 1.107 59.167 58.000 0.100 0.000 1.438 -285 F CB 0.042 39.119 39.000 0.128 0.000 1.107 -285 F HN 0.235 nan 8.300 nan 0.000 0.546 -284 Q N -0.203 119.666 119.800 0.115 0.000 2.245 -284 Q HA -0.147 4.192 4.340 -0.002 0.000 0.201 -284 Q C 1.110 177.174 176.000 0.107 0.000 0.955 -284 Q CA 1.157 56.983 55.803 0.040 0.000 0.870 -284 Q CB -0.098 28.386 28.738 -0.424 0.000 0.945 -284 Q HN 0.327 nan 8.270 nan 0.000 0.461 -283 D N 0.577 120.990 120.400 0.020 0.000 2.392 -283 D HA -0.077 4.562 4.640 -0.002 0.000 0.228 -283 D C 1.072 177.350 176.300 -0.038 0.000 1.003 -283 D CA 0.910 54.915 54.000 0.010 0.000 0.917 -283 D CB 0.192 40.993 40.800 0.003 0.000 0.890 -283 D HN 0.222 nan 8.370 nan 0.000 0.532 -282 K N -0.365 119.978 120.400 -0.095 0.000 2.354 -282 K HA 0.180 4.499 4.320 -0.002 0.000 0.194 -282 K C 0.758 177.199 176.600 -0.266 0.000 1.045 -282 K CA 0.096 56.264 56.287 -0.197 0.000 1.026 -282 K CB 1.190 33.531 32.500 -0.265 0.000 0.866 -282 K HN 0.076 nan 8.250 nan 0.000 0.530 -281 L N 0.941 122.064 121.223 -0.166 0.000 2.344 -281 L HA 0.345 4.684 4.340 -0.002 0.000 0.272 -281 L C -0.273 176.494 176.870 -0.172 0.000 1.035 -281 L CA -1.267 53.417 54.840 -0.260 0.000 0.807 -281 L CB 0.492 42.320 42.059 -0.385 0.000 1.237 -281 L HN -0.070 nan 8.230 nan 0.000 0.442 -280 Y N 1.502 121.726 120.300 -0.127 0.000 2.526 -280 Y HA 0.060 4.609 4.550 -0.002 0.000 0.330 -280 Y C -1.378 174.510 175.900 -0.020 0.000 1.156 -280 Y CA -1.402 56.677 58.100 -0.034 0.000 1.419 -280 Y CB -0.022 38.414 38.460 -0.040 0.000 1.250 -280 Y HN 0.426 nan 8.280 nan 0.000 0.540 -279 P HA -0.266 nan 4.420 nan 0.000 0.217 -279 P C 1.289 178.759 177.300 0.283 0.000 1.151 -279 P CA 1.769 65.086 63.100 0.363 0.000 0.849 -279 P CB -0.147 31.730 31.700 0.295 0.000 0.787 -278 F N -0.955 119.079 119.950 0.140 0.000 2.558 -278 F HA 0.015 4.541 4.527 -0.002 0.000 0.298 -278 F C 1.725 177.524 175.800 -0.002 0.000 1.119 -278 F CA 1.250 59.287 58.000 0.061 0.000 1.451 -278 F CB -2.008 37.003 39.000 0.018 0.000 1.091 -278 F HN -0.122 nan 8.300 nan 0.000 0.563 -277 T N -3.801 110.310 114.554 -0.739 0.000 3.014 -277 T HA -0.106 4.244 4.350 -0.002 0.000 0.263 -277 T C 1.532 175.979 174.700 -0.422 0.000 1.078 -277 T CA 0.732 62.420 62.100 -0.687 0.000 1.135 -277 T CB -1.057 67.335 68.868 -0.793 0.000 0.895 -277 T HN 0.541 nan 8.240 nan 0.000 0.480 -276 W N 2.174 123.385 121.300 -0.149 0.000 2.388 -276 W HA 0.054 4.713 4.660 -0.001 0.000 0.294 -276 W C 2.113 178.608 176.519 -0.040 0.000 1.212 -276 W CA 0.266 57.567 57.345 -0.073 0.000 1.271 -276 W CB -0.102 29.339 29.460 -0.033 0.000 1.126 -276 W HN 0.206 nan 8.180 nan 0.000 0.535 -275 D N 0.264 120.779 120.400 0.191 0.000 2.149 -275 D HA -0.185 4.454 4.640 -0.002 0.000 0.198 -275 D C 2.189 178.550 176.300 0.101 0.000 0.990 -275 D CA 1.802 55.892 54.000 0.149 0.000 0.839 -275 D CB -0.739 40.151 40.800 0.149 0.000 0.948 -275 D HN 0.161 nan 8.370 nan 0.000 0.460 -274 A N 0.710 123.516 122.820 -0.023 0.000 2.070 -274 A HA -0.093 4.226 4.320 -0.002 0.000 0.220 -274 A C 2.128 179.710 177.584 -0.004 0.000 1.159 -274 A CA 1.356 53.301 52.037 -0.153 0.000 0.656 -274 A CB -0.238 18.395 19.000 -0.613 0.000 0.800 -274 A HN 0.247 nan 8.150 nan 0.000 0.453 -273 V N -3.442 116.489 119.914 0.030 0.000 3.271 -273 V HA 0.368 4.487 4.120 -0.002 0.000 0.327 -273 V C 0.543 176.745 176.094 0.181 0.000 1.389 -273 V CA -0.231 62.121 62.300 0.087 0.000 1.156 -273 V CB -0.770 31.064 31.823 0.018 0.000 1.103 -273 V HN 0.387 nan 8.190 nan 0.000 0.453 -272 R N 0.942 121.560 120.500 0.197 0.000 2.198 -272 R HA 0.398 4.737 4.340 -0.002 0.000 0.339 -272 R C -1.569 174.887 176.300 0.260 0.000 1.020 -272 R CA -0.707 55.511 56.100 0.197 0.000 0.864 -272 R CB 0.728 31.120 30.300 0.154 0.000 1.105 -272 R HN 0.471 nan 8.270 nan 0.000 0.463 -271 Y N 5.162 125.526 120.300 0.106 0.000 2.356 -271 Y HA 0.206 4.755 4.550 -0.002 0.000 0.334 -271 Y C -0.168 175.776 175.900 0.074 0.000 0.958 -271 Y CA -0.818 57.341 58.100 0.098 0.000 1.196 -271 Y CB 0.721 39.244 38.460 0.105 0.000 1.137 -271 Y HN 0.836 nan 8.280 nan 0.000 0.485 -270 N N 4.487 122.959 118.700 -0.380 0.000 2.738 -270 N HA -0.246 4.493 4.740 -0.002 0.000 0.249 -270 N C 0.851 176.296 175.510 -0.108 0.000 1.047 -270 N CA 0.781 53.649 53.050 -0.304 0.000 0.707 -270 N CB -0.938 37.294 38.487 -0.426 0.000 0.937 -270 N HN 1.217 nan 8.380 nan 0.000 0.545 -269 G N -0.610 108.165 108.800 -0.042 0.000 2.225 -269 G HA2 -0.338 3.621 3.960 -0.002 0.000 0.254 -269 G HA3 -0.338 3.621 3.960 -0.002 0.000 0.254 -269 G C 0.033 174.940 174.900 0.012 0.000 0.988 -269 G CA 0.864 45.959 45.100 -0.009 0.000 0.625 -269 G HN 0.443 nan 8.290 nan 0.000 0.527 -268 K N 0.534 120.954 120.400 0.034 0.000 2.185 -268 K HA 0.620 4.939 4.320 -0.002 0.000 0.269 -268 K C 0.554 177.209 176.600 0.091 0.000 0.987 -268 K CA -0.766 55.552 56.287 0.053 0.000 0.865 -268 K CB 1.350 33.887 32.500 0.063 0.000 1.090 -268 K HN 0.175 nan 8.250 nan 0.000 0.450 -267 L N 5.555 126.814 121.223 0.059 0.000 2.410 -267 L HA 0.129 4.468 4.340 -0.002 0.000 0.273 -267 L C 1.103 178.023 176.870 0.083 0.000 1.144 -267 L CA 0.200 55.090 54.840 0.083 0.000 0.863 -267 L CB 0.070 42.142 42.059 0.021 0.000 1.140 -267 L HN 0.737 nan 8.230 nan 0.000 0.463 -266 I N -0.204 120.444 120.570 0.130 0.000 4.327 -266 I HA 0.579 4.748 4.170 -0.002 0.000 0.331 -266 I C 0.472 176.687 176.117 0.164 0.000 1.348 -266 I CA -0.139 61.254 61.300 0.155 0.000 1.152 -266 I CB 0.632 38.770 38.000 0.231 0.000 1.151 -266 I HN 0.488 nan 8.210 nan 0.000 0.410 -265 A N 0.030 122.897 122.820 0.078 0.000 2.599 -265 A HA 0.719 5.038 4.320 -0.002 0.000 0.290 -265 A C -1.976 175.524 177.584 -0.140 0.000 1.101 -265 A CA -0.459 51.589 52.037 0.017 0.000 0.674 -265 A CB 0.615 19.658 19.000 0.072 0.000 1.277 -265 A HN 0.143 nan 8.150 nan 0.000 0.419 -264 Y N 1.187 121.501 120.300 0.023 0.000 2.327 -264 Y HA 0.451 5.000 4.550 -0.002 0.000 0.336 -264 Y C -1.986 173.781 175.900 -0.222 0.000 1.035 -264 Y CA -1.885 56.191 58.100 -0.041 0.000 1.165 -264 Y CB 1.031 39.522 38.460 0.051 0.000 1.181 -264 Y HN 0.394 nan 8.280 nan 0.000 0.494 -263 P HA 0.128 nan 4.420 nan 0.000 0.279 -263 P C -0.037 177.148 177.300 -0.192 0.000 1.239 -263 P CA 0.063 62.965 63.100 -0.330 0.000 0.789 -263 P CB 1.612 32.968 31.700 -0.573 0.000 0.933 -262 I N 0.757 121.271 120.570 -0.095 0.000 3.345 -262 I HA 0.366 4.535 4.170 -0.002 0.000 0.258 -262 I C 1.033 177.142 176.117 -0.013 0.000 1.134 -262 I CA 0.254 61.557 61.300 0.006 0.000 1.457 -262 I CB -0.903 37.188 38.000 0.151 0.000 1.425 -262 I HN 0.331 nan 8.210 nan 0.000 0.461 -261 A N 0.582 123.391 122.820 -0.019 0.000 2.609 -261 A HA 0.668 4.987 4.320 -0.002 0.000 0.291 -261 A C -1.298 176.285 177.584 -0.003 0.000 1.096 -261 A CA -0.369 51.667 52.037 -0.001 0.000 0.684 -261 A CB 1.607 20.628 19.000 0.035 0.000 1.282 -261 A HN -0.146 nan 8.150 nan 0.000 0.412 -260 V N 1.820 121.752 119.914 0.030 0.000 2.383 -260 V HA 0.372 4.491 4.120 -0.002 0.000 0.275 -260 V C -0.251 175.905 176.094 0.104 0.000 1.036 -260 V CA -0.174 62.174 62.300 0.079 0.000 0.889 -260 V CB 0.825 32.732 31.823 0.139 0.000 0.985 -260 V HN 0.866 nan 8.190 nan 0.000 0.459 -259 E N 3.763 124.052 120.200 0.147 0.000 2.179 -259 E HA 0.812 5.161 4.350 -0.002 0.000 0.275 -259 E C -0.421 176.311 176.600 0.219 0.000 0.945 -259 E CA -0.613 55.905 56.400 0.197 0.000 0.792 -259 E CB 2.214 32.121 29.700 0.345 0.000 1.125 -259 E HN 0.766 nan 8.360 nan 0.000 0.397 -258 A N 3.099 126.009 122.820 0.150 0.000 2.475 -258 A HA 0.543 4.862 4.320 -0.002 0.000 0.301 -258 A C -0.870 176.751 177.584 0.062 0.000 1.059 -258 A CA -0.794 51.326 52.037 0.138 0.000 0.710 -258 A CB 0.911 19.977 19.000 0.110 0.000 1.288 -258 A HN 0.587 nan 8.150 nan 0.000 0.408 -257 L N 1.566 122.810 121.223 0.036 0.000 2.397 -257 L HA 0.438 4.777 4.340 -0.002 0.000 0.271 -257 L C 0.443 177.317 176.870 0.007 0.000 1.148 -257 L CA 0.077 54.911 54.840 -0.010 0.000 0.825 -257 L CB 1.262 43.282 42.059 -0.064 0.000 1.117 -257 L HN 0.761 nan 8.230 nan 0.000 0.456 -256 S N 2.027 117.737 115.700 0.017 0.000 2.671 -256 S HA 0.545 5.014 4.470 -0.002 0.000 0.299 -256 S C -0.930 173.670 174.600 -0.000 0.000 1.116 -256 S CA -0.677 57.543 58.200 0.033 0.000 0.912 -256 S CB 2.022 65.283 63.200 0.102 0.000 1.130 -256 S HN 0.385 nan 8.310 nan 0.000 0.501 -255 L N 2.224 123.437 121.223 -0.017 0.000 2.283 -255 L HA 0.527 4.866 4.340 -0.002 0.000 0.287 -255 L C -1.246 175.660 176.870 0.060 0.000 1.073 -255 L CA 0.107 54.923 54.840 -0.041 0.000 0.822 -255 L CB -0.426 41.566 42.059 -0.111 0.000 1.186 -255 L HN 0.508 nan 8.230 nan 0.000 0.436 -254 I N 6.421 126.989 120.570 -0.002 0.000 2.385 -254 I HA 0.369 4.538 4.170 -0.002 0.000 0.294 -254 I C -0.766 175.395 176.117 0.072 0.000 0.988 -254 I CA -0.593 60.698 61.300 -0.015 0.000 1.265 -254 I CB 0.958 38.796 38.000 -0.270 0.000 1.388 -254 I HN 0.620 nan 8.210 nan 0.000 0.480 -253 Y N 4.037 124.412 120.300 0.124 0.000 2.562 -253 Y HA 0.490 5.039 4.550 -0.002 0.000 0.345 -253 Y C -0.896 175.268 175.900 0.439 0.000 1.045 -253 Y CA -1.576 56.704 58.100 0.300 0.000 1.028 -253 Y CB 0.857 39.388 38.460 0.119 0.000 1.297 -253 Y HN 0.438 nan 8.280 nan 0.000 0.463 -252 N N 2.809 121.726 118.700 0.362 0.000 2.406 -252 N HA 0.136 4.875 4.740 -0.002 0.000 0.251 -252 N C 0.187 175.737 175.510 0.065 0.000 1.069 -252 N CA 0.003 53.084 53.050 0.051 0.000 0.947 -252 N CB 1.037 39.444 38.487 -0.133 0.000 1.111 -252 N HN 0.901 nan 8.380 nan 0.000 0.497 -251 K N 1.919 122.282 120.400 -0.063 0.000 2.211 -251 K HA -0.093 4.226 4.320 -0.002 0.000 0.203 -251 K C 0.465 177.087 176.600 0.038 0.000 1.050 -251 K CA 1.005 57.302 56.287 0.016 0.000 0.945 -251 K CB 0.363 32.817 32.500 -0.077 0.000 0.732 -251 K HN 0.499 nan 8.250 nan 0.000 0.451 -250 D N 0.914 121.313 120.400 -0.003 0.000 2.123 -250 D HA -0.086 4.553 4.640 -0.002 0.000 0.200 -250 D C 1.902 178.207 176.300 0.008 0.000 0.976 -250 D CA 0.977 54.974 54.000 -0.006 0.000 0.831 -250 D CB -0.052 40.731 40.800 -0.029 0.000 0.974 -250 D HN 0.113 nan 8.370 nan 0.000 0.469 -249 L N -0.397 120.832 121.223 0.010 0.000 2.179 -249 L HA 0.057 4.396 4.340 -0.002 0.000 0.208 -249 L C 0.943 177.844 176.870 0.052 0.000 1.096 -249 L CA 0.577 55.429 54.840 0.020 0.000 0.779 -249 L CB 0.285 42.348 42.059 0.007 0.000 0.922 -249 L HN -0.071 nan 8.230 nan 0.000 0.443 -248 L N 0.067 121.351 121.223 0.102 0.000 2.481 -248 L HA 0.224 4.563 4.340 -0.002 0.000 0.255 -248 L C -1.816 175.158 176.870 0.173 0.000 1.192 -248 L CA -1.212 53.700 54.840 0.120 0.000 0.924 -248 L CB 1.689 43.837 42.059 0.149 0.000 1.179 -248 L HN -0.149 nan 8.230 nan 0.000 0.491 -247 P HA -0.071 nan 4.420 nan 0.000 0.219 -247 P C -0.210 177.144 177.300 0.091 0.000 1.146 -247 P CA 1.178 64.347 63.100 0.117 0.000 0.808 -247 P CB 0.206 31.937 31.700 0.051 0.000 0.779 -246 N N -0.123 118.577 118.700 0.000 0.000 2.617 -246 N HA 0.214 4.953 4.740 -0.002 0.000 0.263 -246 N C -2.690 172.708 175.510 -0.186 0.000 1.074 -246 N CA -1.405 51.588 53.050 -0.094 0.000 0.841 -246 N CB 1.144 39.593 38.487 -0.062 0.000 1.221 -246 N HN 0.109 nan 8.380 nan 0.000 0.529 -245 P HA 0.233 nan 4.420 nan 0.000 0.271 -245 P C -2.511 174.619 177.300 -0.283 0.000 1.218 -245 P CA -0.801 62.032 63.100 -0.445 0.000 0.780 -245 P CB 0.041 31.195 31.700 -0.909 0.000 0.901 -244 P HA 0.107 nan 4.420 nan 0.000 0.268 -244 P C 0.388 177.574 177.300 -0.190 0.000 1.204 -244 P CA -0.050 62.951 63.100 -0.166 0.000 0.768 -244 P CB 0.834 32.448 31.700 -0.142 0.000 0.842 -243 K N 0.473 120.788 120.400 -0.142 0.000 2.400 -243 K HA 0.081 4.400 4.320 -0.002 0.000 0.194 -243 K C 0.965 177.497 176.600 -0.113 0.000 1.033 -243 K CA 0.705 56.913 56.287 -0.131 0.000 1.021 -243 K CB -0.010 32.432 32.500 -0.096 0.000 0.808 -243 K HN 0.650 nan 8.250 nan 0.000 0.505 -242 T N -4.079 110.416 114.554 -0.097 0.000 2.893 -242 T HA 0.286 4.635 4.350 -0.002 0.000 0.293 -242 T C 0.436 175.124 174.700 -0.019 0.000 1.027 -242 T CA -0.901 61.179 62.100 -0.034 0.000 0.988 -242 T CB 1.093 69.962 68.868 0.002 0.000 1.043 -242 T HN 0.107 nan 8.240 nan 0.000 0.461 -241 W N 1.118 122.388 121.300 -0.049 0.000 2.363 -241 W HA 0.042 4.701 4.660 -0.002 0.000 0.296 -241 W C 2.122 178.668 176.519 0.046 0.000 1.212 -241 W CA 1.123 58.429 57.345 -0.065 0.000 1.260 -241 W CB -0.192 29.072 29.460 -0.326 0.000 1.131 -241 W HN 0.828 nan 8.180 nan 0.000 0.530 -240 E N 0.104 120.440 120.200 0.226 0.000 2.209 -240 E HA -0.246 4.103 4.350 -0.002 0.000 0.196 -240 E C 1.857 178.604 176.600 0.245 0.000 0.993 -240 E CA 1.717 58.292 56.400 0.290 0.000 0.819 -240 E CB -0.433 29.363 29.700 0.161 0.000 0.745 -240 E HN 0.513 nan 8.360 nan 0.000 0.477 -239 E N 0.427 120.713 120.200 0.142 0.000 2.478 -239 E HA -0.034 4.315 4.350 -0.002 0.000 0.194 -239 E C 1.714 178.350 176.600 0.060 0.000 1.045 -239 E CA 0.124 56.571 56.400 0.078 0.000 0.868 -239 E CB -0.076 29.639 29.700 0.025 0.000 0.885 -239 E HN 0.297 nan 8.360 nan 0.000 0.505 -238 I N 1.671 122.308 120.570 0.112 0.000 2.226 -238 I HA -0.156 4.013 4.170 -0.002 0.000 0.245 -238 I C -0.553 175.541 176.117 -0.039 0.000 1.100 -238 I CA 0.877 62.220 61.300 0.071 0.000 1.374 -238 I CB -1.211 36.885 38.000 0.160 0.000 1.057 -238 I HN 0.114 nan 8.210 nan 0.000 0.413 -237 P HA -0.233 nan 4.420 nan 0.000 0.214 -237 P C 1.552 178.648 177.300 -0.340 0.000 1.163 -237 P CA 2.128 64.926 63.100 -0.503 0.000 0.889 -237 P CB -0.050 31.482 31.700 -0.281 0.000 0.790 -236 A N -0.940 121.815 122.820 -0.109 0.000 1.933 -236 A HA -0.182 4.137 4.320 -0.002 0.000 0.218 -236 A C 2.140 179.711 177.584 -0.021 0.000 1.175 -236 A CA 1.529 53.545 52.037 -0.034 0.000 0.628 -236 A CB -1.647 17.353 19.000 0.001 0.000 0.814 -236 A HN 0.173 nan 8.150 nan 0.000 0.444 -235 L N 0.244 121.451 121.223 -0.027 0.000 2.093 -235 L HA -0.113 4.226 4.340 -0.002 0.000 0.208 -235 L C 1.807 178.682 176.870 0.010 0.000 1.085 -235 L CA 2.711 57.548 54.840 -0.005 0.000 0.755 -235 L CB -0.720 41.335 42.059 -0.006 0.000 0.904 -235 L HN 0.472 nan 8.230 nan 0.000 0.435 -234 D N -0.759 119.637 120.400 -0.008 0.000 2.144 -234 D HA -0.235 4.404 4.640 -0.002 0.000 0.200 -234 D C 2.245 178.608 176.300 0.105 0.000 0.978 -234 D CA 1.180 55.218 54.000 0.063 0.000 0.833 -234 D CB -0.010 40.859 40.800 0.116 0.000 0.961 -234 D HN 0.321 nan 8.370 nan 0.000 0.470 -233 K N 0.096 120.552 120.400 0.093 0.000 2.057 -233 K HA -0.184 4.135 4.320 -0.002 0.000 0.207 -233 K C 1.932 178.570 176.600 0.063 0.000 1.049 -233 K CA 1.403 57.755 56.287 0.107 0.000 0.931 -233 K CB 0.034 32.596 32.500 0.103 0.000 0.714 -233 K HN 0.225 nan 8.250 nan 0.000 0.440 -232 E N 0.568 120.794 120.200 0.044 0.000 2.051 -232 E HA -0.198 4.151 4.350 -0.002 0.000 0.192 -232 E C 2.101 178.720 176.600 0.033 0.000 0.991 -232 E CA 1.314 57.733 56.400 0.032 0.000 0.799 -232 E CB -0.112 29.601 29.700 0.022 0.000 0.748 -232 E HN 0.263 nan 8.360 nan 0.000 0.449 -231 L N 0.928 122.175 121.223 0.039 0.000 2.131 -231 L HA -0.167 4.173 4.340 -0.002 0.000 0.210 -231 L C 2.393 179.286 176.870 0.039 0.000 1.092 -231 L CA 0.785 55.648 54.840 0.038 0.000 0.759 -231 L CB -0.305 41.781 42.059 0.046 0.000 0.903 -231 L HN 0.030 nan 8.230 nan 0.000 0.435 -230 K N 0.308 120.739 120.400 0.051 0.000 2.103 -230 K HA -0.131 4.188 4.320 -0.002 0.000 0.207 -230 K C 2.118 178.736 176.600 0.030 0.000 1.048 -230 K CA 1.531 57.845 56.287 0.044 0.000 0.930 -230 K CB -0.407 32.127 32.500 0.056 0.000 0.716 -230 K HN 0.292 nan 8.250 nan 0.000 0.444 -229 A N 1.275 124.113 122.820 0.029 0.000 2.067 -229 A HA -0.120 4.199 4.320 -0.002 0.000 0.219 -229 A C 1.650 179.243 177.584 0.015 0.000 1.158 -229 A CA 1.227 53.276 52.037 0.021 0.000 0.661 -229 A CB -0.147 18.866 19.000 0.021 0.000 0.801 -229 A HN 0.255 nan 8.150 nan 0.000 0.452 -228 K N -1.145 119.265 120.400 0.016 0.000 2.417 -228 K HA 0.278 4.597 4.320 -0.002 0.000 0.196 -228 K C 0.783 177.388 176.600 0.008 0.000 1.023 -228 K CA 0.386 56.679 56.287 0.010 0.000 1.122 -228 K CB 0.112 32.617 32.500 0.009 0.000 0.850 -228 K HN 0.559 nan 8.250 nan 0.000 0.521 -227 G N 2.142 110.949 108.800 0.012 0.000 2.182 -227 G HA2 -0.240 3.719 3.960 -0.002 0.000 0.248 -227 G HA3 -0.240 3.719 3.960 -0.002 0.000 0.248 -227 G C -0.131 174.775 174.900 0.010 0.000 1.042 -227 G CA 0.293 45.398 45.100 0.009 0.000 0.775 -227 G HN 0.133 nan 8.290 nan 0.000 0.501 -226 K N -0.815 119.595 120.400 0.017 0.000 2.149 -226 K HA 0.873 5.192 4.320 -0.002 0.000 0.241 -226 K C 0.295 176.917 176.600 0.037 0.000 1.083 -226 K CA 0.032 56.331 56.287 0.020 0.000 0.885 -226 K CB 1.511 34.020 32.500 0.015 0.000 1.374 -226 K HN 0.816 nan 8.250 nan 0.000 0.511 -225 S N -1.846 113.884 115.700 0.050 0.000 2.638 -225 S HA 0.612 5.081 4.470 -0.002 0.000 0.274 -225 S C 0.378 175.031 174.600 0.088 0.000 1.157 -225 S CA -0.223 58.022 58.200 0.074 0.000 0.826 -225 S CB 1.522 64.769 63.200 0.079 0.000 1.139 -225 S HN 0.545 nan 8.310 nan 0.000 0.474 -224 A N 0.060 122.942 122.820 0.103 0.000 1.878 -224 A HA 0.543 4.862 4.320 -0.002 0.000 0.213 -224 A C 0.532 178.199 177.584 0.138 0.000 1.192 -224 A CA 1.051 53.150 52.037 0.104 0.000 0.619 -224 A CB -0.575 18.474 19.000 0.082 0.000 0.837 -224 A HN 1.251 nan 8.150 nan 0.000 0.446 -223 L N -0.787 120.535 121.223 0.164 0.000 2.516 -223 L HA 0.686 5.025 4.340 -0.002 0.000 0.267 -223 L C -1.297 175.711 176.870 0.230 0.000 0.957 -223 L CA -0.111 54.859 54.840 0.216 0.000 0.860 -223 L CB 1.696 43.903 42.059 0.246 0.000 1.265 -223 L HN 0.306 nan 8.230 nan 0.000 0.403 -222 M N 6.216 125.961 119.600 0.241 0.000 2.327 -222 M HA 0.675 5.154 4.480 -0.002 0.000 0.298 -222 M C -1.367 175.085 176.300 0.253 0.000 1.065 -222 M CA -0.482 54.918 55.300 0.168 0.000 0.916 -222 M CB 2.028 34.684 32.600 0.094 0.000 1.630 -222 M HN 0.606 nan 8.290 nan 0.000 0.442 -221 F N 0.166 120.124 119.950 0.013 0.000 2.741 -221 F HA 0.580 5.106 4.527 -0.002 0.000 0.313 -221 F C -1.030 174.708 175.800 -0.104 0.000 1.153 -221 F CA -1.330 56.639 58.000 -0.051 0.000 0.931 -221 F CB 0.955 39.991 39.000 0.059 0.000 1.335 -221 F HN 0.452 nan 8.300 nan 0.000 0.460 -220 N N 1.620 120.218 118.700 -0.170 0.000 2.416 -220 N HA 0.207 4.946 4.740 -0.002 0.000 0.265 -220 N C -0.017 175.383 175.510 -0.183 0.000 1.195 -220 N CA -0.038 52.824 53.050 -0.313 0.000 0.943 -220 N CB 0.490 38.612 38.487 -0.610 0.000 1.115 -220 N HN 0.803 nan 8.380 nan 0.000 0.481 -219 L N 2.174 123.267 121.223 -0.216 0.000 2.592 -219 L HA 0.120 4.459 4.340 -0.002 0.000 0.227 -219 L C 1.233 178.101 176.870 -0.002 0.000 1.127 -219 L CA 0.131 54.886 54.840 -0.142 0.000 0.884 -219 L CB 0.065 41.989 42.059 -0.225 0.000 1.065 -219 L HN 0.481 nan 8.230 nan 0.000 0.457 -218 Q N -0.352 119.462 119.800 0.023 0.000 2.384 -218 Q HA 0.189 4.528 4.340 -0.002 0.000 0.207 -218 Q C 0.070 176.144 176.000 0.123 0.000 0.904 -218 Q CA 0.498 56.333 55.803 0.052 0.000 0.933 -218 Q CB 0.848 29.605 28.738 0.032 0.000 1.077 -218 Q HN 0.303 nan 8.270 nan 0.000 0.522 -217 E N 1.392 121.734 120.200 0.237 0.000 2.191 -217 E HA 0.193 4.543 4.350 -0.002 0.000 0.263 -217 E C -1.917 174.955 176.600 0.454 0.000 0.881 -217 E CA -1.924 54.678 56.400 0.337 0.000 0.757 -217 E CB 2.205 32.180 29.700 0.458 0.000 1.147 -217 E HN -0.134 nan 8.360 nan 0.000 0.414 -216 P HA -0.189 nan 4.420 nan 0.000 0.221 -216 P C 1.344 179.007 177.300 0.606 0.000 1.145 -216 P CA 0.889 64.266 63.100 0.461 0.000 0.795 -216 P CB 0.160 32.138 31.700 0.463 0.000 0.775 -215 Y N 0.698 121.144 120.300 0.245 0.000 2.151 -215 Y HA -0.234 4.315 4.550 -0.002 0.000 0.284 -215 Y C 2.000 178.017 175.900 0.194 0.000 1.166 -215 Y CA 1.843 59.999 58.100 0.093 0.000 1.163 -215 Y CB -1.088 37.181 38.460 -0.318 0.000 0.974 -215 Y HN -0.196 nan 8.280 nan 0.000 0.511 -214 F N -1.077 119.133 119.950 0.434 0.000 2.512 -214 F HA -0.051 4.475 4.527 -0.002 0.000 0.296 -214 F C 2.435 178.457 175.800 0.370 0.000 1.110 -214 F CA 1.194 59.422 58.000 0.380 0.000 1.446 -214 F CB -0.506 38.840 39.000 0.577 0.000 1.092 -214 F HN 0.107 nan 8.300 nan 0.000 0.554 -213 T N -3.768 111.135 114.554 0.581 0.000 3.037 -213 T HA -0.135 4.214 4.350 -0.002 0.000 0.252 -213 T C 1.838 176.694 174.700 0.259 0.000 1.073 -213 T CA -0.127 62.224 62.100 0.419 0.000 1.091 -213 T CB -0.700 68.388 68.868 0.367 0.000 0.935 -213 T HN 0.503 nan 8.240 nan 0.000 0.488 -212 W N 2.950 124.352 121.300 0.170 0.000 2.305 -212 W HA -0.102 4.557 4.660 -0.002 0.000 0.308 -212 W C -1.663 174.850 176.519 -0.009 0.000 1.226 -212 W CA 1.409 58.820 57.345 0.111 0.000 1.253 -212 W CB -1.140 28.475 29.460 0.258 0.000 1.146 -212 W HN 0.298 nan 8.180 nan 0.000 0.507 -211 P HA -0.216 nan 4.420 nan 0.000 0.217 -211 P C 1.720 178.900 177.300 -0.201 0.000 1.148 -211 P CA 1.620 64.660 63.100 -0.101 0.000 0.828 -211 P CB -0.447 31.267 31.700 0.024 0.000 0.783 -210 L N -1.344 119.727 121.223 -0.255 0.000 2.162 -210 L HA 0.033 4.372 4.340 -0.002 0.000 0.205 -210 L C 2.092 178.652 176.870 -0.516 0.000 1.086 -210 L CA 1.457 55.994 54.840 -0.505 0.000 0.778 -210 L CB -0.965 40.593 42.059 -0.835 0.000 0.928 -210 L HN -0.145 nan 8.230 nan 0.000 0.446 -209 I N -0.325 119.949 120.570 -0.494 0.000 2.286 -209 I HA -0.202 3.967 4.170 -0.002 0.000 0.245 -209 I C 2.496 178.222 176.117 -0.653 0.000 1.104 -209 I CA 1.070 62.051 61.300 -0.532 0.000 1.397 -209 I CB -0.528 37.163 38.000 -0.514 0.000 1.072 -209 I HN 0.312 nan 8.210 nan 0.000 0.417 -208 A N 0.728 122.994 122.820 -0.924 0.000 2.015 -208 A HA -0.067 4.252 4.320 -0.002 0.000 0.219 -208 A C 2.556 179.950 177.584 -0.317 0.000 1.163 -208 A CA 1.394 52.999 52.037 -0.720 0.000 0.646 -208 A CB -0.683 17.824 19.000 -0.822 0.000 0.806 -208 A HN 0.401 nan 8.150 nan 0.000 0.448 -207 A N 0.099 122.774 122.820 -0.241 0.000 1.896 -207 A HA -0.281 4.038 4.320 -0.002 0.000 0.220 -207 A C 1.693 179.267 177.584 -0.017 0.000 1.206 -207 A CA 2.323 54.319 52.037 -0.068 0.000 0.647 -207 A CB -0.592 18.427 19.000 0.033 0.000 0.828 -207 A HN 0.465 nan 8.150 nan 0.000 0.455 -206 D N -2.817 117.591 120.400 0.014 0.000 2.427 -206 D HA 0.389 5.028 4.640 -0.002 0.000 0.224 -206 D C 0.789 177.082 176.300 -0.013 0.000 1.157 -206 D CA 0.977 54.979 54.000 0.003 0.000 0.828 -206 D CB -0.109 40.702 40.800 0.019 0.000 0.974 -206 D HN 0.575 nan 8.370 nan 0.000 0.498 -205 G N -1.069 107.716 108.800 -0.024 0.000 2.227 -205 G HA2 -0.099 3.860 3.960 -0.002 0.000 0.168 -205 G HA3 -0.099 3.860 3.960 -0.002 0.000 0.168 -205 G C 0.717 175.644 174.900 0.044 0.000 1.006 -205 G CA -0.310 44.806 45.100 0.028 0.000 0.684 -205 G HN 0.534 nan 8.290 nan 0.000 0.489 -204 G N 0.503 109.243 108.800 -0.100 0.000 2.380 -204 G HA2 0.625 4.584 3.960 -0.002 0.000 0.242 -204 G HA3 0.625 4.584 3.960 -0.002 0.000 0.242 -204 G C -0.223 174.652 174.900 -0.042 0.000 1.298 -204 G CA 0.664 45.646 45.100 -0.197 0.000 0.878 -204 G HN 1.528 nan 8.290 nan 0.000 0.542 -203 Y N -0.721 119.638 120.300 0.099 0.000 2.597 -203 Y HA 0.750 5.299 4.550 -0.002 0.000 0.340 -203 Y C 0.592 176.699 175.900 0.344 0.000 1.097 -203 Y CA -0.868 57.409 58.100 0.295 0.000 1.037 -203 Y CB 0.784 39.341 38.460 0.162 0.000 1.305 -203 Y HN 0.675 nan 8.280 nan 0.000 0.463 -202 A N 1.656 124.665 122.820 0.315 0.000 1.935 -202 A HA 0.303 4.622 4.320 -0.002 0.000 0.211 -202 A C -0.368 176.978 177.584 -0.396 0.000 1.388 -202 A CA 0.842 52.541 52.037 -0.563 0.000 0.600 -202 A CB -0.647 17.596 19.000 -1.262 0.000 1.011 -202 A HN 0.577 nan 8.150 nan 0.000 0.481 -201 F N -0.790 119.196 119.950 0.061 0.000 2.450 -201 F HA 0.555 5.081 4.527 -0.002 0.000 0.332 -201 F C 0.257 176.270 175.800 0.355 0.000 1.093 -201 F CA -0.939 57.184 58.000 0.205 0.000 1.003 -201 F CB 1.400 40.406 39.000 0.011 0.000 1.151 -201 F HN 0.078 nan 8.300 nan 0.000 0.474 -200 K N 1.951 122.644 120.400 0.488 0.000 2.368 -200 K HA 0.072 4.391 4.320 -0.002 0.000 0.282 -200 K C -1.508 175.278 176.600 0.308 0.000 1.035 -200 K CA 0.051 56.449 56.287 0.185 0.000 0.973 -200 K CB -0.008 32.554 32.500 0.104 0.000 0.957 -200 K HN 0.549 nan 8.250 nan 0.000 0.474 -199 Y N 4.406 124.757 120.300 0.085 0.000 2.454 -199 Y HA 0.302 4.851 4.550 -0.002 0.000 0.345 -199 Y C -0.763 175.083 175.900 -0.090 0.000 0.970 -199 Y CA -0.209 57.842 58.100 -0.083 0.000 1.204 -199 Y CB 0.660 38.989 38.460 -0.218 0.000 1.122 -199 Y HN 0.561 nan 8.280 nan 0.000 0.514 -198 E N 3.694 123.614 120.200 -0.468 0.000 2.340 -198 E HA 0.229 4.578 4.350 -0.002 0.000 0.273 -198 E C -0.730 175.600 176.600 -0.450 0.000 0.891 -198 E CA -1.002 55.191 56.400 -0.344 0.000 0.757 -198 E CB 1.416 31.028 29.700 -0.146 0.000 1.231 -198 E HN 0.664 nan 8.360 nan 0.000 0.439 -197 N N 1.301 119.819 118.700 -0.304 0.000 2.689 -197 N HA -0.261 4.478 4.740 -0.002 0.000 0.263 -197 N C 0.885 176.222 175.510 -0.289 0.000 0.987 -197 N CA 1.556 54.471 53.050 -0.225 0.000 0.782 -197 N CB -1.215 37.191 38.487 -0.135 0.000 0.903 -197 N HN 0.934 nan 8.380 nan 0.000 0.547 -196 G N -1.859 106.696 108.800 -0.408 0.000 2.458 -196 G HA2 -0.384 3.575 3.960 -0.002 0.000 0.237 -196 G HA3 -0.384 3.575 3.960 -0.002 0.000 0.237 -196 G C 0.052 174.701 174.900 -0.417 0.000 1.113 -196 G CA 0.865 45.797 45.100 -0.279 0.000 0.655 -196 G HN 0.521 nan 8.290 nan 0.000 0.513 -195 K N 0.162 120.269 120.400 -0.488 0.000 2.123 -195 K HA 0.618 4.937 4.320 -0.002 0.000 0.248 -195 K C -0.855 175.493 176.600 -0.420 0.000 0.969 -195 K CA -0.968 55.135 56.287 -0.307 0.000 0.882 -195 K CB 1.175 33.593 32.500 -0.137 0.000 1.080 -195 K HN 0.172 nan 8.250 nan 0.000 0.441 -194 Y N 0.726 121.011 120.300 -0.025 0.000 2.316 -194 Y HA 0.030 4.579 4.550 -0.002 0.000 0.331 -194 Y C 0.489 176.374 175.900 -0.024 0.000 1.083 -194 Y CA -0.235 57.892 58.100 0.045 0.000 1.206 -194 Y CB 0.739 39.252 38.460 0.087 0.000 1.195 -194 Y HN 0.488 nan 8.280 nan 0.000 0.497 -193 D N 4.366 124.886 120.400 0.201 0.000 2.441 -193 D HA 0.085 4.724 4.640 -0.002 0.000 0.221 -193 D C 0.902 177.335 176.300 0.222 0.000 1.156 -193 D CA -0.272 53.813 54.000 0.142 0.000 0.896 -193 D CB 0.207 41.078 40.800 0.119 0.000 1.028 -193 D HN 0.592 nan 8.370 nan 0.000 0.509 -192 I N 0.878 121.500 120.570 0.086 0.000 3.083 -192 I HA -0.016 4.153 4.170 -0.002 0.000 0.273 -192 I C 1.693 177.978 176.117 0.280 0.000 1.297 -192 I CA 0.773 62.107 61.300 0.056 0.000 1.452 -192 I CB 0.015 37.933 38.000 -0.136 0.000 1.078 -192 I HN 0.119 nan 8.210 nan 0.000 0.484 -191 K N 0.658 121.187 120.400 0.213 0.000 2.374 -191 K HA 0.026 4.346 4.320 -0.002 0.000 0.196 -191 K C -0.033 176.689 176.600 0.203 0.000 1.023 -191 K CA 0.040 56.437 56.287 0.184 0.000 1.103 -191 K CB 0.359 32.928 32.500 0.115 0.000 0.848 -191 K HN 0.241 nan 8.250 nan 0.000 0.528 -190 D N 1.224 121.786 120.400 0.270 0.000 2.462 -190 D HA 0.133 4.772 4.640 -0.002 0.000 0.249 -190 D C -1.356 175.147 176.300 0.338 0.000 1.117 -190 D CA -0.318 53.846 54.000 0.273 0.000 0.900 -190 D CB 1.047 42.003 40.800 0.261 0.000 1.039 -190 D HN -0.220 nan 8.370 nan 0.000 0.516 -189 V N 2.390 122.396 119.914 0.154 0.000 2.472 -189 V HA 0.652 4.771 4.120 -0.002 0.000 0.290 -189 V C 1.199 177.130 176.094 -0.272 0.000 1.037 -189 V CA -0.551 61.708 62.300 -0.068 0.000 0.908 -189 V CB 1.982 33.743 31.823 -0.104 0.000 0.985 -189 V HN 0.636 nan 8.190 nan 0.000 0.454 -188 G N 2.674 111.000 108.800 -0.791 0.000 4.433 -188 G HA2 0.263 4.222 3.960 -0.002 0.000 0.304 -188 G HA3 0.263 4.222 3.960 -0.002 0.000 0.304 -188 G C 0.377 174.974 174.900 -0.505 0.000 1.254 -188 G CA 0.061 44.425 45.100 -1.226 0.000 0.999 -188 G HN 0.559 nan 8.290 nan 0.000 0.576 -187 V N -0.617 119.177 119.914 -0.201 0.000 3.647 -187 V HA 0.173 4.293 4.120 -0.002 0.000 0.279 -187 V C 0.956 177.027 176.094 -0.039 0.000 1.314 -187 V CA 1.008 63.302 62.300 -0.010 0.000 1.125 -187 V CB 0.725 32.602 31.823 0.089 0.000 0.907 -187 V HN 0.334 nan 8.190 nan 0.000 0.434 -186 D N -0.216 120.138 120.400 -0.076 0.000 2.563 -186 D HA 0.130 4.769 4.640 -0.002 0.000 0.237 -186 D C 0.434 176.709 176.300 -0.043 0.000 1.282 -186 D CA -0.142 53.833 54.000 -0.042 0.000 0.816 -186 D CB 0.115 40.901 40.800 -0.023 0.000 1.066 -186 D HN 0.634 nan 8.370 nan 0.000 0.501 -185 N N -0.278 118.381 118.700 -0.068 0.000 2.379 -185 N HA 0.270 5.010 4.740 -0.002 0.000 0.260 -185 N C 1.344 176.842 175.510 -0.020 0.000 1.254 -185 N CA 0.153 53.181 53.050 -0.036 0.000 0.958 -185 N CB 0.339 38.807 38.487 -0.031 0.000 1.208 -185 N HN -0.148 nan 8.380 nan 0.000 0.532 -184 A N -0.240 122.579 122.820 -0.002 0.000 1.908 -184 A HA -0.045 4.274 4.320 -0.002 0.000 0.218 -184 A C 2.036 179.624 177.584 0.007 0.000 1.181 -184 A CA 2.109 54.149 52.037 0.005 0.000 0.627 -184 A CB -1.732 17.273 19.000 0.009 0.000 0.818 -184 A HN 0.823 nan 8.150 nan 0.000 0.445 -183 G N -0.593 108.207 108.800 -0.001 0.000 2.433 -183 G HA2 -0.013 3.946 3.960 -0.002 0.000 0.216 -183 G HA3 -0.013 3.946 3.960 -0.002 0.000 0.216 -183 G C 1.803 176.686 174.900 -0.029 0.000 1.186 -183 G CA 1.612 46.711 45.100 -0.002 0.000 0.779 -183 G HN 0.841 nan 8.290 nan 0.000 0.543 -182 A N 0.781 123.554 122.820 -0.077 0.000 1.883 -182 A HA -0.059 4.260 4.320 -0.002 0.000 0.217 -182 A C 2.299 179.845 177.584 -0.064 0.000 1.186 -182 A CA 2.140 54.109 52.037 -0.114 0.000 0.624 -182 A CB -0.455 18.481 19.000 -0.108 0.000 0.822 -182 A HN 0.382 nan 8.150 nan 0.000 0.444 -181 K N -0.535 119.850 120.400 -0.026 0.000 2.044 -181 K HA -0.148 4.171 4.320 -0.002 0.000 0.210 -181 K C 2.314 178.929 176.600 0.025 0.000 1.049 -181 K CA 1.345 57.631 56.287 -0.002 0.000 0.927 -181 K CB -0.337 32.168 32.500 0.008 0.000 0.713 -181 K HN 0.470 nan 8.250 nan 0.000 0.443 -180 A N 0.846 123.706 122.820 0.067 0.000 1.898 -180 A HA -0.057 4.262 4.320 -0.002 0.000 0.216 -180 A C 2.388 180.085 177.584 0.188 0.000 1.181 -180 A CA 1.823 53.969 52.037 0.181 0.000 0.620 -180 A CB -1.067 18.065 19.000 0.220 0.000 0.819 -180 A HN 0.441 nan 8.150 nan 0.000 0.442 -179 G N -0.207 108.605 108.800 0.019 0.000 2.421 -179 G HA2 -0.144 3.815 3.960 -0.002 0.000 0.216 -179 G HA3 -0.144 3.815 3.960 -0.002 0.000 0.216 -179 G C 1.474 176.192 174.900 -0.302 0.000 1.171 -179 G CA 1.224 46.081 45.100 -0.405 0.000 0.775 -179 G HN 0.439 nan 8.290 nan 0.000 0.543 -178 L N 0.900 122.032 121.223 -0.152 0.000 2.093 -178 L HA 0.057 4.396 4.340 -0.002 0.000 0.208 -178 L C 2.893 179.729 176.870 -0.056 0.000 1.085 -178 L CA 2.257 57.039 54.840 -0.097 0.000 0.755 -178 L CB -0.937 41.090 42.059 -0.054 0.000 0.904 -178 L HN 0.174 nan 8.230 nan 0.000 0.435 -177 T N -0.762 113.784 114.554 -0.014 0.000 2.746 -177 T HA -0.223 4.126 4.350 -0.002 0.000 0.267 -177 T C 1.644 176.354 174.700 0.016 0.000 1.039 -177 T CA 1.806 63.915 62.100 0.016 0.000 1.142 -177 T CB -0.492 68.410 68.868 0.057 0.000 0.866 -177 T HN 0.371 nan 8.240 nan 0.000 0.444 -176 F N 1.225 121.102 119.950 -0.121 0.000 2.134 -176 F HA -0.049 4.477 4.527 -0.002 0.000 0.299 -176 F C 2.008 177.713 175.800 -0.160 0.000 1.097 -176 F CA 0.906 58.816 58.000 -0.150 0.000 1.264 -176 F CB -0.405 38.371 39.000 -0.373 0.000 1.001 -176 F HN 0.037 nan 8.300 nan 0.000 0.479 -175 L N -0.454 120.709 121.223 -0.101 0.000 2.017 -175 L HA -0.195 4.144 4.340 -0.002 0.000 0.208 -175 L C 2.247 179.049 176.870 -0.113 0.000 1.073 -175 L CA 1.445 56.222 54.840 -0.104 0.000 0.745 -175 L CB -0.616 41.401 42.059 -0.070 0.000 0.894 -175 L HN 0.029 nan 8.230 nan 0.000 0.432 -174 V N -0.239 119.618 119.914 -0.094 0.000 2.343 -174 V HA -0.292 3.827 4.120 -0.002 0.000 0.247 -174 V C 2.152 178.190 176.094 -0.094 0.000 1.051 -174 V CA 1.943 64.198 62.300 -0.075 0.000 1.036 -174 V CB -0.729 31.064 31.823 -0.050 0.000 0.654 -174 V HN 0.494 nan 8.190 nan 0.000 0.451 -173 D N 0.065 120.383 120.400 -0.136 0.000 2.117 -173 D HA -0.129 4.510 4.640 -0.002 0.000 0.197 -173 D C 2.126 178.344 176.300 -0.138 0.000 0.987 -173 D CA 1.086 55.000 54.000 -0.142 0.000 0.829 -173 D CB -0.299 40.399 40.800 -0.171 0.000 0.961 -173 D HN 0.334 nan 8.370 nan 0.000 0.460 -172 L N 0.301 121.403 121.223 -0.202 0.000 2.129 -172 L HA -0.182 4.157 4.340 -0.002 0.000 0.212 -172 L C 2.332 179.198 176.870 -0.008 0.000 1.087 -172 L CA 0.737 55.548 54.840 -0.047 0.000 0.757 -172 L CB -0.219 41.821 42.059 -0.031 0.000 0.896 -172 L HN 0.056 nan 8.230 nan 0.000 0.434 -171 I N -0.909 119.628 120.570 -0.055 0.000 2.296 -171 I HA -0.216 3.953 4.170 -0.002 0.000 0.242 -171 I C 2.472 178.544 176.117 -0.075 0.000 1.087 -171 I CA 0.944 62.209 61.300 -0.058 0.000 1.393 -171 I CB -0.207 37.758 38.000 -0.058 0.000 1.093 -171 I HN 0.067 nan 8.210 nan 0.000 0.421 -170 K N 0.923 121.280 120.400 -0.071 0.000 2.074 -170 K HA -0.198 4.121 4.320 -0.002 0.000 0.209 -170 K C 1.271 177.813 176.600 -0.096 0.000 1.048 -170 K CA 1.829 58.074 56.287 -0.070 0.000 0.926 -170 K CB -0.362 32.105 32.500 -0.055 0.000 0.713 -170 K HN 0.417 nan 8.250 nan 0.000 0.444 -169 N N 0.432 119.061 118.700 -0.119 0.000 2.370 -169 N HA 0.008 4.747 4.740 -0.002 0.000 0.198 -169 N C -0.567 174.665 175.510 -0.463 0.000 1.156 -169 N CA -0.023 52.897 53.050 -0.216 0.000 0.839 -169 N CB 0.280 38.706 38.487 -0.102 0.000 0.989 -169 N HN 0.029 nan 8.380 nan 0.000 0.468 -168 K N -0.431 119.798 120.400 -0.285 0.000 3.130 -168 K HA -0.224 4.095 4.320 -0.002 0.000 0.282 -168 K C -0.064 176.377 176.600 -0.265 0.000 1.145 -168 K CA 0.542 56.685 56.287 -0.239 0.000 0.831 -168 K CB -1.333 31.057 32.500 -0.185 0.000 1.226 -168 K HN 0.492 nan 8.250 nan 0.000 0.478 -167 H N -0.910 118.154 119.070 -0.010 0.000 2.529 -167 H HA 0.163 4.718 4.556 -0.002 0.000 0.277 -167 H C 0.835 176.176 175.328 0.022 0.000 0.999 -167 H CA 0.896 56.953 56.048 0.014 0.000 1.256 -167 H CB 0.197 29.973 29.762 0.024 0.000 1.402 -167 H HN 0.280 nan 8.280 nan 0.000 0.566 -166 M N -0.128 119.513 119.600 0.068 0.000 2.618 -166 M HA 0.232 4.711 4.480 -0.002 0.000 0.281 -166 M C -0.586 175.695 176.300 -0.031 0.000 1.267 -166 M CA -0.682 54.628 55.300 0.018 0.000 0.845 -166 M CB 3.101 35.703 32.600 0.003 0.000 1.732 -166 M HN -0.123 nan 8.290 nan 0.000 0.461 -165 N N 0.240 118.910 118.700 -0.050 0.000 2.372 -165 N HA 0.488 5.227 4.740 -0.002 0.000 0.291 -165 N C 0.051 175.517 175.510 -0.074 0.000 1.024 -165 N CA 0.091 53.108 53.050 -0.055 0.000 0.873 -165 N CB 2.210 40.671 38.487 -0.044 0.000 1.206 -165 N HN 0.828 nan 8.380 nan 0.000 0.486 -164 A N 2.886 125.668 122.820 -0.064 0.000 2.070 -164 A HA -0.117 4.202 4.320 -0.002 0.000 0.220 -164 A C 1.245 178.792 177.584 -0.062 0.000 1.159 -164 A CA 1.236 53.233 52.037 -0.066 0.000 0.656 -164 A CB -0.061 18.909 19.000 -0.051 0.000 0.800 -164 A HN 0.710 nan 8.150 nan 0.000 0.453 -163 D N -0.001 120.368 120.400 -0.052 0.000 2.269 -163 D HA -0.018 4.621 4.640 -0.002 0.000 0.208 -163 D C 0.369 176.638 176.300 -0.051 0.000 0.963 -163 D CA 0.722 54.697 54.000 -0.043 0.000 0.864 -163 D CB -0.570 40.211 40.800 -0.032 0.000 0.936 -163 D HN 0.262 nan 8.370 nan 0.000 0.505 -162 T N 2.566 117.075 114.554 -0.074 0.000 2.822 -162 T HA 0.100 4.449 4.350 -0.002 0.000 0.288 -162 T C 0.237 174.879 174.700 -0.096 0.000 0.991 -162 T CA 0.121 62.168 62.100 -0.088 0.000 1.176 -162 T CB 0.458 69.252 68.868 -0.122 0.000 0.951 -162 T HN 0.226 nan 8.240 nan 0.000 0.526 -161 D N 1.521 121.884 120.400 -0.063 0.000 2.712 -161 D HA 0.192 4.831 4.640 -0.002 0.000 0.252 -161 D C 1.006 177.284 176.300 -0.037 0.000 1.123 -161 D CA -0.960 53.018 54.000 -0.036 0.000 1.109 -161 D CB 0.046 40.853 40.800 0.013 0.000 1.313 -161 D HN 0.326 nan 8.370 nan 0.000 0.629 -160 Y N 0.294 120.536 120.300 -0.096 0.000 2.145 -160 Y HA -0.210 4.339 4.550 -0.002 0.000 0.286 -160 Y C 2.551 178.439 175.900 -0.020 0.000 1.145 -160 Y CA 3.149 61.197 58.100 -0.087 0.000 1.148 -160 Y CB -0.202 38.230 38.460 -0.047 0.000 0.981 -160 Y HN 0.438 nan 8.280 nan 0.000 0.507 -159 S N -0.430 115.356 115.700 0.143 0.000 2.387 -159 S HA -0.163 4.306 4.470 -0.002 0.000 0.226 -159 S C 1.994 176.599 174.600 0.009 0.000 1.026 -159 S CA 1.294 59.550 58.200 0.094 0.000 0.972 -159 S CB -0.985 62.288 63.200 0.121 0.000 0.814 -159 S HN 0.516 nan 8.310 nan 0.000 0.477 -158 I N 2.394 122.961 120.570 -0.005 0.000 2.163 -158 I HA -0.193 3.976 4.170 -0.002 0.000 0.243 -158 I C 3.048 179.147 176.117 -0.031 0.000 1.085 -158 I CA 1.392 62.683 61.300 -0.016 0.000 1.347 -158 I CB -0.576 37.412 38.000 -0.020 0.000 1.044 -158 I HN 0.445 nan 8.210 nan 0.000 0.408 -157 A N -0.119 122.654 122.820 -0.079 0.000 1.929 -157 A HA -0.219 4.100 4.320 -0.002 0.000 0.216 -157 A C 2.302 179.849 177.584 -0.062 0.000 1.176 -157 A CA 1.581 53.575 52.037 -0.071 0.000 0.628 -157 A CB -0.529 18.399 19.000 -0.121 0.000 0.816 -157 A HN 0.483 nan 8.150 nan 0.000 0.444 -156 E N 0.027 120.132 120.200 -0.158 0.000 2.047 -156 E HA -0.117 4.232 4.350 -0.002 0.000 0.191 -156 E C 2.147 178.761 176.600 0.024 0.000 0.987 -156 E CA 1.057 57.392 56.400 -0.109 0.000 0.799 -156 E CB -0.258 29.338 29.700 -0.173 0.000 0.752 -156 E HN 0.503 nan 8.360 nan 0.000 0.449 -155 A N 1.171 124.001 122.820 0.017 0.000 1.902 -155 A HA -0.099 4.220 4.320 -0.002 0.000 0.217 -155 A C 2.381 179.987 177.584 0.037 0.000 1.181 -155 A CA 1.833 53.889 52.037 0.032 0.000 0.623 -155 A CB -0.769 18.245 19.000 0.024 0.000 0.818 -155 A HN 0.425 nan 8.150 nan 0.000 0.443 -154 A N -1.283 121.563 122.820 0.043 0.000 1.877 -154 A HA -0.047 4.272 4.320 -0.002 0.000 0.216 -154 A C 2.076 179.695 177.584 0.058 0.000 1.186 -154 A CA 1.577 53.640 52.037 0.044 0.000 0.620 -154 A CB -0.721 18.309 19.000 0.050 0.000 0.822 -154 A HN 0.645 nan 8.150 nan 0.000 0.443 -153 F N 1.198 121.133 119.950 -0.025 0.000 2.146 -153 F HA -0.145 4.381 4.527 -0.002 0.000 0.298 -153 F C 1.904 177.686 175.800 -0.031 0.000 1.096 -153 F CA 2.045 60.032 58.000 -0.022 0.000 1.275 -153 F CB -0.297 38.685 39.000 -0.029 0.000 1.008 -153 F HN 0.312 nan 8.300 nan 0.000 0.480 -152 N N -0.485 118.267 118.700 0.088 0.000 2.494 -152 N HA -0.080 4.659 4.740 -0.002 0.000 0.182 -152 N C 1.347 176.822 175.510 -0.057 0.000 1.076 -152 N CA 0.229 53.287 53.050 0.014 0.000 0.908 -152 N CB -0.019 38.508 38.487 0.067 0.000 0.967 -152 N HN 0.257 nan 8.380 nan 0.000 0.449 -151 K N 0.189 120.554 120.400 -0.059 0.000 2.393 -151 K HA 0.067 4.386 4.320 -0.002 0.000 0.193 -151 K C 0.651 177.190 176.600 -0.101 0.000 1.026 -151 K CA 0.126 56.377 56.287 -0.060 0.000 1.064 -151 K CB 0.489 32.971 32.500 -0.031 0.000 0.833 -151 K HN 0.200 nan 8.250 nan 0.000 0.521 -150 G N 1.715 110.405 108.800 -0.182 0.000 2.137 -150 G HA2 -0.261 3.698 3.960 -0.002 0.000 0.237 -150 G HA3 -0.261 3.698 3.960 -0.002 0.000 0.237 -150 G C 0.269 175.085 174.900 -0.140 0.000 1.002 -150 G CA 0.413 45.384 45.100 -0.215 0.000 0.702 -150 G HN 0.459 nan 8.290 nan 0.000 0.515 -149 E N -0.961 119.180 120.200 -0.099 0.000 2.400 -149 E HA 0.164 4.513 4.350 -0.002 0.000 0.195 -149 E C 0.978 177.571 176.600 -0.013 0.000 1.012 -149 E CA 0.881 57.256 56.400 -0.041 0.000 0.875 -149 E CB 0.583 30.273 29.700 -0.016 0.000 0.859 -149 E HN 0.308 nan 8.360 nan 0.000 0.498 -148 T N -1.252 113.296 114.554 -0.010 0.000 2.893 -148 T HA 0.479 4.828 4.350 -0.002 0.000 0.293 -148 T C 0.299 175.050 174.700 0.085 0.000 1.027 -148 T CA -0.242 61.902 62.100 0.072 0.000 0.988 -148 T CB 1.681 70.641 68.868 0.153 0.000 1.043 -148 T HN -0.012 nan 8.240 nan 0.000 0.461 -147 A N 4.242 127.142 122.820 0.133 0.000 2.016 -147 A HA 0.411 4.730 4.320 -0.002 0.000 0.217 -147 A C 0.782 178.602 177.584 0.393 0.000 1.162 -147 A CA 0.797 52.937 52.037 0.170 0.000 0.662 -147 A CB -0.143 18.933 19.000 0.127 0.000 0.812 -147 A HN 0.725 nan 8.150 nan 0.000 0.450 -146 M N -1.625 118.205 119.600 0.383 0.000 2.501 -146 M HA 0.463 4.942 4.480 -0.002 0.000 0.293 -146 M C -0.592 175.834 176.300 0.210 0.000 1.192 -146 M CA -0.212 55.282 55.300 0.323 0.000 0.886 -146 M CB 2.595 35.280 32.600 0.142 0.000 1.710 -146 M HN 0.087 nan 8.290 nan 0.000 0.457 -145 T N 1.378 115.885 114.554 -0.078 0.000 2.865 -145 T HA 0.809 5.158 4.350 -0.002 0.000 0.294 -145 T C -1.776 172.855 174.700 -0.116 0.000 1.119 -145 T CA -0.548 61.486 62.100 -0.110 0.000 1.007 -145 T CB 1.356 70.037 68.868 -0.313 0.000 1.225 -145 T HN 0.567 nan 8.240 nan 0.000 0.515 -144 I N 3.614 124.175 120.570 -0.016 0.000 2.418 -144 I HA 0.555 4.724 4.170 -0.002 0.000 0.287 -144 I C -0.113 176.124 176.117 0.200 0.000 1.008 -144 I CA -0.615 60.683 61.300 -0.003 0.000 1.104 -144 I CB 1.639 39.524 38.000 -0.191 0.000 1.264 -144 I HN 0.505 nan 8.210 nan 0.000 0.438 -143 N N 2.877 121.653 118.700 0.127 0.000 3.308 -143 N HA 0.558 5.297 4.740 -0.002 0.000 0.276 -143 N C -0.921 174.498 175.510 -0.153 0.000 1.533 -143 N CA -0.386 52.768 53.050 0.172 0.000 0.878 -143 N CB 2.184 40.702 38.487 0.051 0.000 1.566 -143 N HN 0.622 nan 8.380 nan 0.000 0.546 -142 G N -0.126 108.241 108.800 -0.723 0.000 2.820 -142 G HA2 0.488 4.447 3.960 -0.002 0.000 0.291 -142 G HA3 0.488 4.447 3.960 -0.002 0.000 0.291 -142 G C -1.952 171.977 174.900 -1.618 0.000 1.323 -142 G CA -1.053 43.249 45.100 -1.330 0.000 1.055 -142 G HN 0.323 nan 8.290 nan 0.000 0.520 -141 P HA -0.120 nan 4.420 nan 0.000 0.216 -141 P C 1.428 177.959 177.300 -1.280 0.000 1.150 -141 P CA 1.764 63.666 63.100 -1.996 0.000 0.843 -141 P CB -0.042 30.901 31.700 -1.260 0.000 0.787 -140 W N -0.105 120.912 121.300 -0.472 0.000 2.387 -140 W HA -0.023 4.636 4.660 -0.002 0.000 0.272 -140 W C 1.892 178.319 176.519 -0.153 0.000 1.224 -140 W CA 0.975 58.169 57.345 -0.253 0.000 1.210 -140 W CB -1.930 27.431 29.460 -0.164 0.000 1.125 -140 W HN -0.128 nan 8.180 nan 0.000 0.572 -139 A N 0.066 122.601 122.820 -0.474 0.000 2.072 -139 A HA 0.016 4.335 4.320 -0.002 0.000 0.216 -139 A C 1.607 179.173 177.584 -0.031 0.000 1.156 -139 A CA 0.890 52.845 52.037 -0.137 0.000 0.701 -139 A CB -1.160 17.729 19.000 -0.184 0.000 0.816 -139 A HN 0.407 nan 8.150 nan 0.000 0.458 -138 W N 0.177 121.381 121.300 -0.161 0.000 2.374 -138 W HA -0.096 4.563 4.660 -0.002 0.000 0.288 -138 W C 2.709 179.168 176.519 -0.099 0.000 1.218 -138 W CA 0.653 57.905 57.345 -0.155 0.000 1.245 -138 W CB -1.508 27.954 29.460 0.004 0.000 1.126 -138 W HN 0.411 nan 8.180 nan 0.000 0.545 -137 S N 0.739 116.547 115.700 0.181 0.000 2.359 -137 S HA -0.197 4.272 4.470 -0.002 0.000 0.224 -137 S C 1.728 176.371 174.600 0.071 0.000 1.035 -137 S CA 1.821 60.095 58.200 0.123 0.000 1.018 -137 S CB -0.322 62.929 63.200 0.085 0.000 0.876 -137 S HN 0.146 nan 8.310 nan 0.000 0.448 -136 N N 1.277 120.009 118.700 0.053 0.000 2.309 -136 N HA 0.060 4.799 4.740 -0.002 0.000 0.182 -136 N C 1.609 177.123 175.510 0.006 0.000 1.018 -136 N CA 1.113 54.186 53.050 0.038 0.000 0.876 -136 N CB -0.435 38.088 38.487 0.060 0.000 0.972 -136 N HN 0.529 nan 8.380 nan 0.000 0.434 -135 I N 0.530 121.060 120.570 -0.067 0.000 2.286 -135 I HA -0.170 3.999 4.170 -0.002 0.000 0.245 -135 I C 1.506 177.580 176.117 -0.072 0.000 1.104 -135 I CA 0.819 62.011 61.300 -0.180 0.000 1.397 -135 I CB -0.224 37.400 38.000 -0.628 0.000 1.072 -135 I HN -0.058 nan 8.210 nan 0.000 0.417 -134 D N 1.054 121.470 120.400 0.027 0.000 2.106 -134 D HA -0.176 4.463 4.640 -0.002 0.000 0.191 -134 D C 2.208 178.558 176.300 0.085 0.000 0.997 -134 D CA 1.957 56.045 54.000 0.146 0.000 0.834 -134 D CB -0.537 40.356 40.800 0.156 0.000 0.956 -134 D HN 0.244 nan 8.370 nan 0.000 0.448 -133 T N 1.086 115.673 114.554 0.056 0.000 2.665 -133 T HA -0.139 4.210 4.350 -0.002 0.000 0.268 -133 T C 1.334 176.052 174.700 0.031 0.000 1.035 -133 T CA 1.376 63.500 62.100 0.040 0.000 1.151 -133 T CB -0.322 68.566 68.868 0.033 0.000 0.862 -133 T HN 0.303 nan 8.240 nan 0.000 0.438 -132 S N 1.082 116.797 115.700 0.025 0.000 2.587 -132 S HA 0.111 4.580 4.470 -0.002 0.000 0.260 -132 S C 1.361 175.969 174.600 0.014 0.000 1.353 -132 S CA -0.674 57.533 58.200 0.013 0.000 0.995 -132 S CB 0.611 63.812 63.200 0.002 0.000 0.912 -132 S HN 0.087 nan 8.310 nan 0.000 0.568 -131 K N 0.226 120.623 120.400 -0.005 0.000 2.089 -131 K HA -0.052 4.267 4.320 -0.002 0.000 0.210 -131 K C 0.601 177.204 176.600 0.005 0.000 1.048 -131 K CA 0.867 57.150 56.287 -0.008 0.000 0.926 -131 K CB -1.176 31.306 32.500 -0.030 0.000 0.714 -131 K HN 0.577 nan 8.250 nan 0.000 0.448 -130 V N 3.512 123.424 119.914 -0.004 0.000 2.509 -130 V HA -0.092 4.027 4.120 -0.002 0.000 0.297 -130 V C 0.629 176.783 176.094 0.101 0.000 1.014 -130 V CA -0.311 61.980 62.300 -0.013 0.000 1.127 -130 V CB -0.030 31.720 31.823 -0.121 0.000 0.925 -130 V HN 0.237 nan 8.190 nan 0.000 0.480 -129 N N 5.667 124.382 118.700 0.025 0.000 2.466 -129 N HA 0.106 4.845 4.740 -0.002 0.000 0.263 -129 N C -0.721 174.784 175.510 -0.009 0.000 1.178 -129 N CA -0.214 52.834 53.050 -0.003 0.000 0.983 -129 N CB -0.171 38.287 38.487 -0.050 0.000 1.331 -129 N HN 0.623 nan 8.380 nan 0.000 0.500 -128 Y N 0.494 120.707 120.300 -0.145 0.000 2.457 -128 Y HA 0.845 5.394 4.550 -0.002 0.000 0.333 -128 Y C 0.366 176.033 175.900 -0.388 0.000 1.119 -128 Y CA -1.663 56.314 58.100 -0.206 0.000 1.143 -128 Y CB 0.825 39.282 38.460 -0.004 0.000 1.230 -128 Y HN 0.261 nan 8.280 nan 0.000 0.469 -127 G N 1.334 109.710 108.800 -0.707 0.000 2.448 -127 G HA2 0.572 4.531 3.960 -0.002 0.000 0.324 -127 G HA3 0.572 4.531 3.960 -0.002 0.000 0.324 -127 G C -1.895 172.833 174.900 -0.286 0.000 1.203 -127 G CA -1.076 43.614 45.100 -0.684 0.000 0.954 -127 G HN 0.678 nan 8.290 nan 0.000 0.480 -126 V N 0.903 120.725 119.914 -0.153 0.000 2.417 -126 V HA 0.741 4.860 4.120 -0.002 0.000 0.291 -126 V C 0.367 176.493 176.094 0.053 0.000 1.024 -126 V CA -0.408 61.875 62.300 -0.028 0.000 0.861 -126 V CB 1.172 32.869 31.823 -0.210 0.000 0.985 -126 V HN 0.891 nan 8.190 nan 0.000 0.436 -125 T N 2.832 117.453 114.554 0.111 0.000 2.812 -125 T HA 0.508 4.857 4.350 -0.002 0.000 0.294 -125 T C -0.782 173.920 174.700 0.005 0.000 1.159 -125 T CA -0.342 61.791 62.100 0.056 0.000 1.008 -125 T CB 1.986 70.883 68.868 0.049 0.000 1.289 -125 T HN 0.527 nan 8.240 nan 0.000 0.514 -124 V N 3.195 123.093 119.914 -0.027 0.000 2.872 -124 V HA 0.345 4.464 4.120 -0.002 0.000 0.307 -124 V C 0.270 176.318 176.094 -0.076 0.000 1.072 -124 V CA 0.023 62.300 62.300 -0.039 0.000 1.148 -124 V CB -0.033 31.765 31.823 -0.042 0.000 0.954 -124 V HN 0.752 nan 8.190 nan 0.000 0.490 -123 L N 7.802 128.984 121.223 -0.068 0.000 2.483 -123 L HA 0.269 4.608 4.340 -0.002 0.000 0.275 -123 L C -1.891 174.887 176.870 -0.153 0.000 1.220 -123 L CA -1.260 53.511 54.840 -0.115 0.000 0.833 -123 L CB 0.021 42.056 42.059 -0.040 0.000 1.102 -123 L HN 0.569 nan 8.230 nan 0.000 0.490 -122 P HA 0.075 nan 4.420 nan 0.000 0.271 -122 P C -0.649 176.621 177.300 -0.049 0.000 1.233 -122 P CA -0.461 62.454 63.100 -0.309 0.000 0.789 -122 P CB 0.382 31.649 31.700 -0.722 0.000 0.951 -121 T N -1.491 113.079 114.554 0.027 0.000 2.899 -121 T HA 0.580 4.929 4.350 -0.002 0.000 0.284 -121 T C -0.801 174.085 174.700 0.309 0.000 1.004 -121 T CA -0.369 61.808 62.100 0.128 0.000 1.043 -121 T CB 0.287 69.175 68.868 0.033 0.000 1.013 -121 T HN 0.204 nan 8.240 nan 0.000 0.518 -120 F N 1.224 121.205 119.950 0.051 0.000 2.556 -120 F HA 0.493 5.019 4.527 -0.002 0.000 0.314 -120 F C 0.410 176.151 175.800 -0.099 0.000 1.106 -120 F CA -1.510 56.447 58.000 -0.072 0.000 0.911 -120 F CB 1.603 40.471 39.000 -0.220 0.000 1.190 -120 F HN 0.878 nan 8.300 nan 0.000 0.448 -119 K N 4.339 124.243 120.400 -0.827 0.000 3.100 -119 K HA -0.215 4.104 4.320 -0.002 0.000 0.261 -119 K C 0.957 177.400 176.600 -0.262 0.000 0.920 -119 K CA 0.954 56.896 56.287 -0.575 0.000 0.683 -119 K CB -1.620 30.462 32.500 -0.697 0.000 1.349 -119 K HN 1.352 nan 8.250 nan 0.000 0.473 -118 G N -0.645 108.059 108.800 -0.161 0.000 2.189 -118 G HA2 -0.322 3.637 3.960 -0.002 0.000 0.267 -118 G HA3 -0.322 3.637 3.960 -0.002 0.000 0.267 -118 G C -0.141 174.722 174.900 -0.062 0.000 0.975 -118 G CA 0.542 45.589 45.100 -0.090 0.000 0.644 -118 G HN 0.339 nan 8.290 nan 0.000 0.537 -117 Q N 0.436 120.201 119.800 -0.057 0.000 2.256 -117 Q HA 0.477 4.816 4.340 -0.002 0.000 0.257 -117 Q C -2.464 173.548 176.000 0.021 0.000 0.936 -117 Q CA -2.201 53.588 55.803 -0.024 0.000 0.903 -117 Q CB 1.827 30.544 28.738 -0.034 0.000 1.263 -117 Q HN 0.216 nan 8.270 nan 0.000 0.440 -116 P HA 0.052 nan 4.420 nan 0.000 0.268 -116 P C -0.473 176.849 177.300 0.037 0.000 1.205 -116 P CA 0.050 63.163 63.100 0.022 0.000 0.771 -116 P CB 0.572 32.273 31.700 0.002 0.000 0.858 -115 S N 2.416 118.158 115.700 0.069 0.000 2.562 -115 S HA 0.100 4.569 4.470 -0.002 0.000 0.281 -115 S C 0.315 174.918 174.600 0.004 0.000 1.333 -115 S CA -0.140 58.096 58.200 0.061 0.000 1.052 -115 S CB -0.091 63.199 63.200 0.149 0.000 0.884 -115 S HN 0.288 nan 8.310 nan 0.000 0.506 -114 K N 3.438 123.806 120.400 -0.053 0.000 2.499 -114 K HA 0.290 4.609 4.320 -0.002 0.000 0.215 -114 K C -2.637 173.937 176.600 -0.043 0.000 1.041 -114 K CA -1.678 54.575 56.287 -0.057 0.000 1.031 -114 K CB 1.044 33.487 32.500 -0.095 0.000 1.479 -114 K HN 0.392 nan 8.250 nan 0.000 0.518 -113 P HA 0.114 nan 4.420 nan 0.000 0.276 -113 P C -0.610 176.812 177.300 0.203 0.000 1.244 -113 P CA -0.462 62.690 63.100 0.086 0.000 0.801 -113 P CB 0.613 32.329 31.700 0.026 0.000 1.006 -112 F N 0.734 120.846 119.950 0.269 0.000 2.438 -112 F HA 0.125 4.651 4.527 -0.002 0.000 0.356 -112 F C 0.477 176.430 175.800 0.254 0.000 1.099 -112 F CA -0.497 57.676 58.000 0.289 0.000 1.185 -112 F CB 0.462 39.678 39.000 0.360 0.000 1.115 -112 F HN -0.050 nan 8.300 nan 0.000 0.526 -111 V N 4.183 124.412 119.914 0.526 0.000 2.432 -111 V HA 0.603 4.722 4.120 -0.002 0.000 0.275 -111 V C 0.536 176.878 176.094 0.412 0.000 1.043 -111 V CA -0.665 61.866 62.300 0.386 0.000 0.925 -111 V CB 0.921 32.924 31.823 0.299 0.000 0.985 -111 V HN 0.858 nan 8.190 nan 0.000 0.466 -110 G N 3.119 112.136 108.800 0.362 0.000 2.420 -110 G HA2 0.590 4.549 3.960 -0.002 0.000 0.331 -110 G HA3 0.590 4.549 3.960 -0.002 0.000 0.331 -110 G C -1.088 173.954 174.900 0.236 0.000 1.168 -110 G CA -0.528 44.774 45.100 0.336 0.000 0.936 -110 G HN 0.527 nan 8.290 nan 0.000 0.479 -109 V N 3.020 123.092 119.914 0.265 0.000 2.328 -109 V HA 0.207 4.326 4.120 -0.002 0.000 0.278 -109 V C 0.224 176.311 176.094 -0.012 0.000 1.021 -109 V CA -0.728 61.577 62.300 0.009 0.000 0.838 -109 V CB 1.001 32.674 31.823 -0.250 0.000 0.999 -109 V HN 0.708 nan 8.190 nan 0.000 0.447 -108 L N 5.901 127.105 121.223 -0.032 0.000 2.490 -108 L HA 0.331 4.670 4.340 -0.002 0.000 0.274 -108 L C 0.313 177.154 176.870 -0.048 0.000 1.201 -108 L CA 1.346 56.169 54.840 -0.029 0.000 0.869 -108 L CB 0.708 42.777 42.059 0.018 0.000 1.123 -108 L HN 0.732 nan 8.230 nan 0.000 0.484 -107 S N 3.055 118.704 115.700 -0.085 0.000 2.546 -107 S HA 0.844 5.313 4.470 -0.002 0.000 0.274 -107 S C -0.952 173.485 174.600 -0.271 0.000 1.121 -107 S CA -0.329 57.717 58.200 -0.256 0.000 0.887 -107 S CB 1.818 64.622 63.200 -0.660 0.000 1.094 -107 S HN 0.912 nan 8.310 nan 0.000 0.474 -106 A N 1.728 124.369 122.820 -0.299 0.000 2.277 -106 A HA 0.764 5.083 4.320 -0.002 0.000 0.318 -106 A C 0.351 177.954 177.584 0.031 0.000 1.339 -106 A CA -0.501 51.252 52.037 -0.472 0.000 0.875 -106 A CB 0.081 18.682 19.000 -0.665 0.000 1.158 -106 A HN 0.887 nan 8.150 nan 0.000 0.514 -105 G N 0.916 109.816 108.800 0.167 0.000 2.491 -105 G HA2 0.616 4.575 3.960 -0.002 0.000 0.327 -105 G HA3 0.616 4.575 3.960 -0.002 0.000 0.327 -105 G C -0.598 174.348 174.900 0.076 0.000 1.189 -105 G CA -0.649 44.593 45.100 0.237 0.000 0.956 -105 G HN 0.652 nan 8.290 nan 0.000 0.491 -104 I N 1.118 121.749 120.570 0.101 0.000 2.418 -104 I HA 0.157 4.326 4.170 -0.002 0.000 0.287 -104 I C -0.295 175.863 176.117 0.069 0.000 1.008 -104 I CA -0.976 60.367 61.300 0.073 0.000 1.104 -104 I CB 1.883 39.947 38.000 0.107 0.000 1.264 -104 I HN 0.326 nan 8.210 nan 0.000 0.438 -103 N N 4.410 123.143 118.700 0.055 0.000 2.411 -103 N HA 0.022 4.761 4.740 -0.002 0.000 0.265 -103 N C 0.908 176.420 175.510 0.003 0.000 1.266 -103 N CA 0.402 53.485 53.050 0.054 0.000 0.889 -103 N CB 1.501 39.984 38.487 -0.006 0.000 1.069 -103 N HN 0.813 nan 8.380 nan 0.000 0.476 -102 A N 4.294 127.110 122.820 -0.006 0.000 1.940 -102 A HA -0.115 4.204 4.320 -0.002 0.000 0.219 -102 A C 1.957 179.523 177.584 -0.030 0.000 1.176 -102 A CA 1.945 53.975 52.037 -0.010 0.000 0.631 -102 A CB -0.593 18.399 19.000 -0.012 0.000 0.814 -102 A HN 0.764 nan 8.150 nan 0.000 0.446 -101 A N -0.789 121.994 122.820 -0.062 0.000 2.123 -101 A HA 0.270 4.589 4.320 -0.002 0.000 0.214 -101 A C 1.544 179.095 177.584 -0.056 0.000 1.152 -101 A CA 0.850 52.848 52.037 -0.065 0.000 0.728 -101 A CB -0.594 18.349 19.000 -0.094 0.000 0.814 -101 A HN 0.553 nan 8.150 nan 0.000 0.464 -100 S N 0.717 116.383 115.700 -0.057 0.000 2.549 -100 S HA 0.247 4.716 4.470 -0.002 0.000 0.286 -100 S C -1.659 172.925 174.600 -0.027 0.000 1.314 -100 S CA -0.735 57.435 58.200 -0.049 0.000 1.062 -100 S CB 0.686 63.855 63.200 -0.051 0.000 0.865 -100 S HN 0.242 nan 8.310 nan 0.000 0.498 -99 P HA 0.249 nan 4.420 nan 0.000 0.261 -99 P C -0.347 176.952 177.300 -0.001 0.000 1.352 -99 P CA 0.032 63.125 63.100 -0.011 0.000 0.891 -99 P CB -0.019 31.673 31.700 -0.013 0.000 1.383 -98 N N 0.114 118.812 118.700 -0.003 0.000 2.282 -98 N HA 0.110 4.849 4.740 -0.002 0.000 0.240 -98 N C 1.027 176.550 175.510 0.022 0.000 1.182 -98 N CA -0.183 52.873 53.050 0.009 0.000 0.874 -98 N CB 0.414 38.899 38.487 -0.003 0.000 1.126 -98 N HN 0.189 nan 8.380 nan 0.000 0.516 -97 K N 0.828 121.243 120.400 0.025 0.000 2.113 -97 K HA -0.203 4.116 4.320 -0.002 0.000 0.208 -97 K C 1.594 178.230 176.600 0.061 0.000 1.047 -97 K CA 1.342 57.654 56.287 0.042 0.000 0.928 -97 K CB 0.242 32.767 32.500 0.041 0.000 0.716 -97 K HN 0.101 nan 8.250 nan 0.000 0.446 -96 E N 1.399 121.634 120.200 0.060 0.000 2.051 -96 E HA -0.050 4.299 4.350 -0.002 0.000 0.189 -96 E C 1.939 178.600 176.600 0.102 0.000 0.979 -96 E CA 0.693 57.136 56.400 0.072 0.000 0.803 -96 E CB -0.171 29.565 29.700 0.060 0.000 0.761 -96 E HN 0.154 nan 8.360 nan 0.000 0.451 -95 L N 0.140 121.431 121.223 0.115 0.000 2.013 -95 L HA -0.260 4.079 4.340 -0.002 0.000 0.212 -95 L C 2.492 179.446 176.870 0.139 0.000 1.073 -95 L CA 1.472 56.429 54.840 0.196 0.000 0.753 -95 L CB -0.665 41.500 42.059 0.177 0.000 0.890 -95 L HN 0.260 nan 8.230 nan 0.000 0.432 -94 A N -0.331 122.519 122.820 0.050 0.000 1.902 -94 A HA -0.246 4.073 4.320 -0.002 0.000 0.217 -94 A C 2.405 180.024 177.584 0.059 0.000 1.181 -94 A CA 1.852 53.897 52.037 0.012 0.000 0.623 -94 A CB -0.454 18.553 19.000 0.011 0.000 0.818 -94 A HN 0.339 nan 8.150 nan 0.000 0.443 -93 K N -0.039 120.402 120.400 0.069 0.000 2.097 -93 K HA -0.178 4.141 4.320 -0.002 0.000 0.206 -93 K C 1.733 178.323 176.600 -0.015 0.000 1.049 -93 K CA 1.676 57.982 56.287 0.033 0.000 0.933 -93 K CB -0.180 32.370 32.500 0.083 0.000 0.717 -93 K HN 0.640 nan 8.250 nan 0.000 0.442 -92 E N -0.525 119.732 120.200 0.095 0.000 2.208 -92 E HA -0.157 4.192 4.350 -0.002 0.000 0.193 -92 E C 1.751 178.517 176.600 0.277 0.000 0.988 -92 E CA 0.764 57.280 56.400 0.194 0.000 0.828 -92 E CB -0.101 29.785 29.700 0.309 0.000 0.763 -92 E HN 0.347 nan 8.360 nan 0.000 0.478 -91 F N 1.173 121.050 119.950 -0.121 0.000 2.187 -91 F HA -0.047 4.479 4.527 -0.002 0.000 0.295 -91 F C 1.827 177.549 175.800 -0.130 0.000 1.091 -91 F CA 0.943 58.692 58.000 -0.419 0.000 1.308 -91 F CB 0.074 38.465 39.000 -1.016 0.000 1.030 -91 F HN -0.128 nan 8.300 nan 0.000 0.487 -90 L N 0.013 121.121 121.223 -0.193 0.000 2.095 -90 L HA -0.088 4.251 4.340 -0.002 0.000 0.204 -90 L C 2.351 179.024 176.870 -0.329 0.000 1.080 -90 L CA 1.315 55.958 54.840 -0.329 0.000 0.759 -90 L CB -0.671 41.150 42.059 -0.397 0.000 0.914 -90 L HN 0.135 nan 8.230 nan 0.000 0.439 -89 E N 0.135 120.118 120.200 -0.362 0.000 2.051 -89 E HA -0.113 4.236 4.350 -0.002 0.000 0.189 -89 E C 1.453 177.999 176.600 -0.091 0.000 0.979 -89 E CA 0.950 57.109 56.400 -0.400 0.000 0.803 -89 E CB 0.044 29.280 29.700 -0.772 0.000 0.761 -89 E HN 0.447 nan 8.360 nan 0.000 0.451 -88 N N -0.896 117.784 118.700 -0.033 0.000 2.325 -88 N HA 0.018 4.757 4.740 -0.002 0.000 0.182 -88 N C 0.624 176.011 175.510 -0.204 0.000 1.088 -88 N CA 0.623 53.651 53.050 -0.038 0.000 0.879 -88 N CB 0.376 38.876 38.487 0.023 0.000 0.983 -88 N HN 0.205 nan 8.380 nan 0.000 0.471 -87 Y N -0.643 119.568 120.300 -0.148 0.000 2.769 -87 Y HA 0.237 4.786 4.550 -0.002 0.000 0.266 -87 Y C 1.722 177.436 175.900 -0.311 0.000 1.091 -87 Y CA -0.272 57.703 58.100 -0.207 0.000 1.272 -87 Y CB -0.188 38.140 38.460 -0.221 0.000 1.469 -87 Y HN -0.133 nan 8.280 nan 0.000 0.475 -86 L N 0.193 121.222 121.223 -0.324 0.000 2.034 -86 L HA 0.094 4.433 4.340 -0.002 0.000 0.203 -86 L C 0.970 177.776 176.870 -0.107 0.000 1.074 -86 L CA 1.762 56.441 54.840 -0.268 0.000 0.748 -86 L CB -0.641 41.223 42.059 -0.325 0.000 0.905 -86 L HN 0.130 nan 8.230 nan 0.000 0.439 -85 L N 1.009 122.203 121.223 -0.049 0.000 2.912 -85 L HA 0.114 4.453 4.340 -0.002 0.000 0.246 -85 L C 0.290 177.161 176.870 0.002 0.000 1.371 -85 L CA -0.008 54.843 54.840 0.019 0.000 1.196 -85 L CB -1.380 40.761 42.059 0.137 0.000 1.596 -85 L HN 0.400 nan 8.230 nan 0.000 0.429 -84 T N -6.654 107.862 114.554 -0.063 0.000 2.940 -84 T HA 0.276 4.625 4.350 -0.002 0.000 0.288 -84 T C 0.774 175.370 174.700 -0.173 0.000 1.045 -84 T CA -0.882 61.161 62.100 -0.095 0.000 1.018 -84 T CB 1.930 70.728 68.868 -0.117 0.000 1.151 -84 T HN -0.020 nan 8.240 nan 0.000 0.529 -83 D N 0.683 120.960 120.400 -0.205 0.000 2.097 -83 D HA -0.078 4.561 4.640 -0.002 0.000 0.195 -83 D C 1.849 177.878 176.300 -0.451 0.000 0.989 -83 D CA 1.439 55.197 54.000 -0.405 0.000 0.827 -83 D CB -0.106 40.537 40.800 -0.261 0.000 0.966 -83 D HN 0.773 nan 8.370 nan 0.000 0.456 -82 E N 0.447 120.499 120.200 -0.247 0.000 2.085 -82 E HA -0.109 4.240 4.350 -0.002 0.000 0.194 -82 E C 2.186 178.692 176.600 -0.157 0.000 0.994 -82 E CA 1.277 57.572 56.400 -0.175 0.000 0.801 -82 E CB -0.400 29.236 29.700 -0.106 0.000 0.743 -82 E HN 0.304 nan 8.360 nan 0.000 0.453 -81 G N 0.832 109.541 108.800 -0.151 0.000 2.414 -81 G HA2 -0.220 3.739 3.960 -0.002 0.000 0.215 -81 G HA3 -0.220 3.739 3.960 -0.002 0.000 0.215 -81 G C 1.533 176.364 174.900 -0.115 0.000 1.188 -81 G CA 0.504 45.538 45.100 -0.111 0.000 0.783 -81 G HN 0.098 nan 8.290 nan 0.000 0.537 -80 L N 0.265 121.386 121.223 -0.169 0.000 2.093 -80 L HA -0.042 4.297 4.340 -0.002 0.000 0.208 -80 L C 2.785 179.618 176.870 -0.061 0.000 1.085 -80 L CA 1.492 56.279 54.840 -0.088 0.000 0.755 -80 L CB -0.412 41.638 42.059 -0.015 0.000 0.904 -80 L HN 0.422 nan 8.230 nan 0.000 0.435 -79 E N 0.598 120.604 120.200 -0.324 0.000 2.077 -79 E HA -0.249 4.100 4.350 -0.002 0.000 0.193 -79 E C 2.215 178.820 176.600 0.007 0.000 0.989 -79 E CA 1.267 57.600 56.400 -0.112 0.000 0.800 -79 E CB 0.026 29.584 29.700 -0.237 0.000 0.746 -79 E HN 0.429 nan 8.360 nan 0.000 0.452 -78 A N 0.618 123.417 122.820 -0.035 0.000 1.883 -78 A HA -0.177 4.142 4.320 -0.002 0.000 0.217 -78 A C 2.411 179.999 177.584 0.006 0.000 1.186 -78 A CA 1.804 53.838 52.037 -0.004 0.000 0.624 -78 A CB -0.755 18.243 19.000 -0.004 0.000 0.822 -78 A HN 0.246 nan 8.150 nan 0.000 0.444 -77 V N 0.260 120.176 119.914 0.003 0.000 2.379 -77 V HA -0.230 3.889 4.120 -0.002 0.000 0.245 -77 V C 2.334 178.439 176.094 0.018 0.000 1.044 -77 V CA 2.228 64.524 62.300 -0.007 0.000 1.036 -77 V CB -1.146 30.663 31.823 -0.023 0.000 0.664 -77 V HN 0.758 nan 8.190 nan 0.000 0.453 -76 N N 0.342 119.088 118.700 0.076 0.000 2.120 -76 N HA -0.167 4.572 4.740 -0.002 0.000 0.188 -76 N C 1.725 177.290 175.510 0.091 0.000 1.024 -76 N CA 1.128 54.243 53.050 0.109 0.000 0.852 -76 N CB -0.131 38.489 38.487 0.222 0.000 1.003 -76 N HN 0.367 nan 8.380 nan 0.000 0.424 -75 K N -0.461 119.991 120.400 0.086 0.000 2.574 -75 K HA -0.094 4.225 4.320 -0.002 0.000 0.193 -75 K C 0.499 177.121 176.600 0.036 0.000 1.035 -75 K CA 0.585 56.914 56.287 0.070 0.000 0.982 -75 K CB 0.129 32.667 32.500 0.065 0.000 0.795 -75 K HN 0.346 nan 8.250 nan 0.000 0.491 -74 D N 0.367 120.773 120.400 0.010 0.000 2.527 -74 D HA 0.011 4.650 4.640 -0.002 0.000 0.249 -74 D C -0.182 176.103 176.300 -0.025 0.000 1.029 -74 D CA 0.975 54.955 54.000 -0.034 0.000 0.951 -74 D CB 0.627 41.374 40.800 -0.087 0.000 1.093 -74 D HN -0.219 nan 8.370 nan 0.000 0.464 -73 K N 0.847 121.236 120.400 -0.017 0.000 2.471 -73 K HA 0.450 4.769 4.320 -0.002 0.000 0.252 -73 K C -2.658 173.954 176.600 0.020 0.000 0.938 -73 K CA -2.282 54.012 56.287 0.012 0.000 0.796 -73 K CB 1.777 34.288 32.500 0.018 0.000 1.161 -73 K HN -0.005 nan 8.250 nan 0.000 0.425 -72 P HA 0.115 nan 4.420 nan 0.000 0.267 -72 P C 0.491 177.742 177.300 -0.082 0.000 1.200 -72 P CA -0.029 63.051 63.100 -0.033 0.000 0.772 -72 P CB 0.631 32.281 31.700 -0.083 0.000 0.855 -71 L N 1.037 122.235 121.223 -0.042 0.000 2.463 -71 L HA 0.279 4.618 4.340 -0.002 0.000 0.219 -71 L C 1.417 178.264 176.870 -0.038 0.000 1.088 -71 L CA 0.900 55.736 54.840 -0.006 0.000 0.849 -71 L CB -0.538 41.546 42.059 0.042 0.000 1.012 -71 L HN 0.747 nan 8.230 nan 0.000 0.468 -70 G N 0.161 108.895 108.800 -0.110 0.000 2.466 -70 G HA2 -0.144 3.815 3.960 -0.002 0.000 0.218 -70 G HA3 -0.144 3.815 3.960 -0.002 0.000 0.218 -70 G C -0.344 174.561 174.900 0.008 0.000 1.237 -70 G CA -0.401 44.653 45.100 -0.077 0.000 0.954 -70 G HN 0.336 nan 8.290 nan 0.000 0.580 -69 A N 0.375 123.219 122.820 0.040 0.000 2.350 -69 A HA 0.701 5.020 4.320 -0.002 0.000 0.293 -69 A C 1.011 178.630 177.584 0.059 0.000 1.231 -69 A CA 0.612 52.681 52.037 0.053 0.000 0.883 -69 A CB -0.168 18.875 19.000 0.071 0.000 1.133 -69 A HN 2.309 nan 8.150 nan 0.000 0.533 -68 V N 0.618 120.566 119.914 0.058 0.000 3.185 -68 V HA 0.551 4.670 4.120 -0.002 0.000 0.305 -68 V C 1.172 177.327 176.094 0.101 0.000 1.090 -68 V CA 0.301 62.646 62.300 0.075 0.000 1.107 -68 V CB 0.828 32.719 31.823 0.114 0.000 1.061 -68 V HN 1.133 nan 8.190 nan 0.000 0.480 -67 A N 2.412 125.242 122.820 0.017 0.000 2.169 -67 A HA 0.337 4.656 4.320 -0.002 0.000 0.212 -67 A C 0.909 178.421 177.584 -0.121 0.000 1.153 -67 A CA 0.332 52.329 52.037 -0.066 0.000 0.756 -67 A CB -0.455 18.396 19.000 -0.248 0.000 0.813 -67 A HN 0.947 nan 8.150 nan 0.000 0.471 -66 L N 0.314 121.496 121.223 -0.069 0.000 2.265 -66 L HA 0.300 4.639 4.340 -0.002 0.000 0.288 -66 L C 0.992 177.771 176.870 -0.151 0.000 1.058 -66 L CA -0.119 54.639 54.840 -0.136 0.000 0.809 -66 L CB 0.778 42.812 42.059 -0.043 0.000 1.179 -66 L HN 0.211 nan 8.230 nan 0.000 0.429 -65 K N 1.405 121.580 120.400 -0.374 0.000 2.063 -65 K HA -0.171 4.148 4.320 -0.002 0.000 0.208 -65 K C 1.890 178.446 176.600 -0.072 0.000 1.048 -65 K CA 1.756 57.818 56.287 -0.376 0.000 0.928 -65 K CB -0.131 32.110 32.500 -0.433 0.000 0.713 -65 K HN 0.876 nan 8.250 nan 0.000 0.442 -64 S N -0.200 115.477 115.700 -0.039 0.000 2.447 -64 S HA -0.152 4.317 4.470 -0.002 0.000 0.233 -64 S C 1.842 176.524 174.600 0.136 0.000 1.006 -64 S CA 0.694 58.914 58.200 0.033 0.000 0.957 -64 S CB -0.246 62.958 63.200 0.008 0.000 0.773 -64 S HN 0.358 nan 8.310 nan 0.000 0.507 -63 Y N 1.804 122.097 120.300 -0.012 0.000 2.522 -63 Y HA 0.325 4.874 4.550 -0.002 0.000 0.277 -63 Y C 2.218 178.148 175.900 0.050 0.000 1.104 -63 Y CA 0.516 58.625 58.100 0.015 0.000 1.260 -63 Y CB -0.389 38.074 38.460 0.005 0.000 1.151 -63 Y HN 0.331 nan 8.280 nan 0.000 0.539 -62 E N 1.104 121.340 120.200 0.061 0.000 2.077 -62 E HA -0.238 4.111 4.350 -0.002 0.000 0.193 -62 E C 2.076 178.702 176.600 0.042 0.000 0.989 -62 E CA 1.729 58.151 56.400 0.037 0.000 0.800 -62 E CB -0.362 29.480 29.700 0.237 0.000 0.746 -62 E HN 0.563 nan 8.360 nan 0.000 0.452 -61 E N 0.303 120.556 120.200 0.089 0.000 2.136 -61 E HA -0.336 4.013 4.350 -0.002 0.000 0.208 -61 E C 1.757 178.375 176.600 0.031 0.000 1.035 -61 E CA 2.124 58.567 56.400 0.072 0.000 0.838 -61 E CB -0.162 29.582 29.700 0.074 0.000 0.748 -61 E HN 0.495 nan 8.360 nan 0.000 0.459 -60 E N 0.762 120.970 120.200 0.013 0.000 2.015 -60 E HA -0.185 4.164 4.350 -0.002 0.000 0.191 -60 E C 2.562 179.129 176.600 -0.055 0.000 0.991 -60 E CA 1.040 57.435 56.400 -0.008 0.000 0.802 -60 E CB -0.616 29.095 29.700 0.018 0.000 0.759 -60 E HN 0.399 nan 8.360 nan 0.000 0.447 -59 L N 1.028 122.163 121.223 -0.145 0.000 2.129 -59 L HA -0.188 4.151 4.340 -0.002 0.000 0.212 -59 L C 2.616 179.457 176.870 -0.048 0.000 1.087 -59 L CA 1.101 55.854 54.840 -0.145 0.000 0.757 -59 L CB -0.681 41.222 42.059 -0.259 0.000 0.896 -59 L HN 0.151 nan 8.230 nan 0.000 0.434 -58 A N -0.225 122.581 122.820 -0.025 0.000 2.125 -58 A HA -0.184 4.135 4.320 -0.002 0.000 0.219 -58 A C 2.211 179.791 177.584 -0.007 0.000 1.156 -58 A CA 1.274 53.309 52.037 -0.002 0.000 0.671 -58 A CB -0.276 18.730 19.000 0.011 0.000 0.794 -58 A HN 0.337 nan 8.150 nan 0.000 0.459 -57 K N -0.053 120.339 120.400 -0.013 0.000 2.432 -57 K HA -0.041 4.278 4.320 -0.002 0.000 0.196 -57 K C 0.012 176.595 176.600 -0.028 0.000 1.038 -57 K CA 0.297 56.574 56.287 -0.017 0.000 0.986 -57 K CB 0.086 32.579 32.500 -0.012 0.000 0.782 -57 K HN 0.380 nan 8.250 nan 0.000 0.485 -56 D N 1.065 121.449 120.400 -0.027 0.000 2.343 -56 D HA 0.018 4.657 4.640 -0.002 0.000 0.255 -56 D C -1.661 174.599 176.300 -0.066 0.000 1.187 -56 D CA -2.298 51.673 54.000 -0.048 0.000 0.875 -56 D CB 1.396 42.182 40.800 -0.023 0.000 1.136 -56 D HN -0.092 nan 8.370 nan 0.000 0.469 -55 P HA -0.133 nan 4.420 nan 0.000 0.218 -55 P C 1.097 178.310 177.300 -0.144 0.000 1.148 -55 P CA 0.948 63.983 63.100 -0.109 0.000 0.822 -55 P CB 0.400 32.025 31.700 -0.126 0.000 0.784 -54 R N -0.598 119.747 120.500 -0.260 0.000 2.092 -54 R HA -0.032 4.307 4.340 -0.002 0.000 0.231 -54 R C 2.355 178.613 176.300 -0.070 0.000 1.119 -54 R CA 1.015 56.861 56.100 -0.424 0.000 0.970 -54 R CB -0.643 28.970 30.300 -1.145 0.000 0.864 -54 R HN 0.178 nan 8.270 nan 0.000 0.440 -53 I N 0.756 121.365 120.570 0.065 0.000 2.439 -53 I HA -0.139 4.030 4.170 -0.002 0.000 0.251 -53 I C 2.443 178.613 176.117 0.089 0.000 1.139 -53 I CA 0.975 62.390 61.300 0.192 0.000 1.438 -53 I CB -1.223 36.864 38.000 0.145 0.000 1.085 -53 I HN 0.144 nan 8.210 nan 0.000 0.427 -52 A N 1.236 124.071 122.820 0.025 0.000 1.877 -52 A HA -0.138 4.181 4.320 -0.002 0.000 0.216 -52 A C 2.610 180.204 177.584 0.016 0.000 1.186 -52 A CA 2.051 54.091 52.037 0.006 0.000 0.620 -52 A CB -0.734 18.253 19.000 -0.020 0.000 0.822 -52 A HN 0.397 nan 8.150 nan 0.000 0.443 -51 A N -1.003 121.827 122.820 0.016 0.000 1.902 -51 A HA -0.080 4.239 4.320 -0.002 0.000 0.217 -51 A C 2.289 179.913 177.584 0.067 0.000 1.181 -51 A CA 2.294 54.347 52.037 0.027 0.000 0.623 -51 A CB -1.406 17.601 19.000 0.011 0.000 0.818 -51 A HN 0.439 nan 8.150 nan 0.000 0.443 -50 T N 0.175 114.808 114.554 0.131 0.000 2.699 -50 T HA -0.200 4.149 4.350 -0.002 0.000 0.268 -50 T C 1.897 176.645 174.700 0.081 0.000 1.036 -50 T CA 1.828 64.011 62.100 0.138 0.000 1.147 -50 T CB -0.272 68.717 68.868 0.202 0.000 0.862 -50 T HN 0.288 nan 8.240 nan 0.000 0.446 -49 M N 0.738 120.374 119.600 0.059 0.000 2.200 -49 M HA 0.067 4.546 4.480 -0.002 0.000 0.265 -49 M C 2.297 178.601 176.300 0.006 0.000 1.066 -49 M CA 1.087 56.401 55.300 0.023 0.000 1.127 -49 M CB -1.094 31.506 32.600 -0.000 0.000 1.379 -49 M HN 0.376 nan 8.290 nan 0.000 0.420 -48 E N 0.663 120.867 120.200 0.006 0.000 2.038 -48 E HA -0.222 4.127 4.350 -0.002 0.000 0.195 -48 E C 1.780 178.382 176.600 0.004 0.000 1.000 -48 E CA 1.424 57.822 56.400 -0.004 0.000 0.803 -48 E CB 0.086 29.782 29.700 -0.007 0.000 0.750 -48 E HN 0.433 nan 8.360 nan 0.000 0.448 -47 N N 0.245 118.956 118.700 0.018 0.000 2.166 -47 N HA -0.156 4.583 4.740 -0.002 0.000 0.186 -47 N C 1.736 177.268 175.510 0.037 0.000 1.019 -47 N CA 1.210 54.275 53.050 0.024 0.000 0.856 -47 N CB -0.336 38.169 38.487 0.031 0.000 0.993 -47 N HN 0.267 nan 8.380 nan 0.000 0.426 -46 A N 1.449 124.296 122.820 0.046 0.000 1.883 -46 A HA -0.166 4.153 4.320 -0.002 0.000 0.217 -46 A C 2.134 179.739 177.584 0.034 0.000 1.186 -46 A CA 1.206 53.280 52.037 0.061 0.000 0.624 -46 A CB -0.491 18.547 19.000 0.064 0.000 0.822 -46 A HN 0.167 nan 8.150 nan 0.000 0.444 -45 Q N -0.290 119.508 119.800 -0.002 0.000 2.234 -45 Q HA -0.141 4.198 4.340 -0.002 0.000 0.206 -45 Q C 1.688 177.684 176.000 -0.005 0.000 0.980 -45 Q CA 1.713 57.502 55.803 -0.023 0.000 0.869 -45 Q CB -0.199 28.515 28.738 -0.041 0.000 0.912 -45 Q HN 0.753 nan 8.270 nan 0.000 0.436 -44 K N -0.929 119.475 120.400 0.007 0.000 2.356 -44 K HA 0.113 4.432 4.320 -0.002 0.000 0.195 -44 K C 1.018 177.630 176.600 0.020 0.000 1.037 -44 K CA 0.450 56.741 56.287 0.008 0.000 1.014 -44 K CB 0.425 32.927 32.500 0.003 0.000 0.815 -44 K HN 0.083 nan 8.250 nan 0.000 0.507 -43 G N 0.486 109.313 108.800 0.045 0.000 2.568 -43 G HA2 0.250 4.209 3.960 -0.002 0.000 0.293 -43 G HA3 0.250 4.209 3.960 -0.002 0.000 0.293 -43 G C -0.922 174.048 174.900 0.116 0.000 1.347 -43 G CA -0.528 44.616 45.100 0.073 0.000 1.039 -43 G HN 0.003 nan 8.290 nan 0.000 0.523 -42 E N -0.833 119.483 120.200 0.194 0.000 2.202 -42 E HA 0.328 4.678 4.350 -0.002 0.000 0.272 -42 E C -0.201 176.658 176.600 0.430 0.000 0.951 -42 E CA -0.470 56.105 56.400 0.291 0.000 0.813 -42 E CB 2.339 32.265 29.700 0.376 0.000 1.151 -42 E HN 0.256 nan 8.360 nan 0.000 0.398 -41 I N 2.470 123.238 120.570 0.330 0.000 2.692 -41 I HA -0.020 4.149 4.170 -0.002 0.000 0.284 -41 I C 0.752 177.094 176.117 0.375 0.000 1.159 -41 I CA 0.332 61.844 61.300 0.354 0.000 1.423 -41 I CB 0.288 38.442 38.000 0.257 0.000 1.380 -41 I HN 0.409 nan 8.210 nan 0.000 0.580 -40 M N 7.033 126.803 119.600 0.284 0.000 2.228 -40 M HA 0.188 4.667 4.480 -0.002 0.000 0.351 -40 M C -2.148 174.128 176.300 -0.041 0.000 1.233 -40 M CA -1.348 53.830 55.300 -0.204 0.000 1.129 -40 M CB 0.186 32.529 32.600 -0.428 0.000 1.604 -40 M HN 0.202 nan 8.290 nan 0.000 0.457 -39 P HA -0.041 nan 4.420 nan 0.000 0.265 -39 P C -0.333 176.854 177.300 -0.188 0.000 1.187 -39 P CA 0.219 63.127 63.100 -0.320 0.000 0.766 -39 P CB 0.308 31.498 31.700 -0.849 0.000 0.820 -38 N N 2.922 121.625 118.700 0.003 0.000 2.230 -38 N HA 0.013 4.752 4.740 -0.002 0.000 0.202 -38 N C 0.554 176.013 175.510 -0.085 0.000 1.119 -38 N CA -0.112 52.933 53.050 -0.009 0.000 0.851 -38 N CB -0.665 37.925 38.487 0.171 0.000 0.990 -38 N HN 0.413 nan 8.380 nan 0.000 0.497 -37 I N -2.261 118.256 120.570 -0.089 0.000 2.993 -37 I HA 0.198 4.367 4.170 -0.002 0.000 0.286 -37 I C -1.590 174.415 176.117 -0.187 0.000 1.215 -37 I CA -1.406 59.834 61.300 -0.101 0.000 1.393 -37 I CB 0.320 38.239 38.000 -0.134 0.000 1.371 -37 I HN -0.289 nan 8.210 nan 0.000 0.602 -36 P HA -0.093 nan 4.420 nan 0.000 0.225 -36 P C 0.848 178.094 177.300 -0.090 0.000 1.148 -36 P CA 1.167 64.177 63.100 -0.148 0.000 0.779 -36 P CB 0.063 31.706 31.700 -0.095 0.000 0.780 -35 Q N -1.998 117.728 119.800 -0.124 0.000 2.444 -35 Q HA 0.087 4.426 4.340 -0.002 0.000 0.206 -35 Q C 1.792 177.878 176.000 0.144 0.000 0.948 -35 Q CA 0.694 56.477 55.803 -0.033 0.000 0.946 -35 Q CB -0.642 27.973 28.738 -0.204 0.000 1.027 -35 Q HN 0.180 nan 8.270 nan 0.000 0.513 -34 M N -0.610 119.028 119.600 0.063 0.000 2.117 -34 M HA -0.135 4.344 4.480 -0.002 0.000 0.262 -34 M C 2.092 178.558 176.300 0.277 0.000 1.065 -34 M CA 1.270 56.659 55.300 0.148 0.000 1.114 -34 M CB -1.116 31.509 32.600 0.043 0.000 1.361 -34 M HN 0.229 nan 8.290 nan 0.000 0.408 -33 S N 0.388 116.208 115.700 0.200 0.000 2.359 -33 S HA -0.175 4.294 4.470 -0.002 0.000 0.223 -33 S C 1.988 176.736 174.600 0.247 0.000 1.039 -33 S CA 1.880 60.209 58.200 0.214 0.000 1.042 -33 S CB -0.195 63.055 63.200 0.084 0.000 0.915 -33 S HN 0.535 nan 8.310 nan 0.000 0.439 -32 A N 0.394 123.333 122.820 0.199 0.000 1.902 -32 A HA -0.005 4.314 4.320 -0.002 0.000 0.217 -32 A C 1.970 179.694 177.584 0.233 0.000 1.181 -32 A CA 1.672 53.828 52.037 0.199 0.000 0.623 -32 A CB -1.006 18.092 19.000 0.162 0.000 0.818 -32 A HN 0.701 nan 8.150 nan 0.000 0.443 -31 F N -0.721 119.267 119.950 0.062 0.000 2.046 -31 F HA -0.204 4.322 4.527 -0.002 0.000 0.297 -31 F C 2.060 177.796 175.800 -0.107 0.000 1.123 -31 F CA 1.864 59.782 58.000 -0.136 0.000 1.199 -31 F CB -0.702 38.078 39.000 -0.366 0.000 0.972 -31 F HN 0.375 nan 8.300 nan 0.000 0.474 -30 W N -0.940 120.242 121.300 -0.196 0.000 2.335 -30 W HA -0.259 4.400 4.660 -0.002 0.000 0.311 -30 W C 2.545 178.969 176.519 -0.157 0.000 1.213 -30 W CA 1.527 58.699 57.345 -0.288 0.000 1.274 -30 W CB -1.043 28.406 29.460 -0.018 0.000 1.148 -30 W HN 0.224 nan 8.180 nan 0.000 0.498 -29 Y N 1.005 121.382 120.300 0.128 0.000 2.165 -29 Y HA -0.287 4.262 4.550 -0.002 0.000 0.286 -29 Y C 2.341 178.245 175.900 0.008 0.000 1.155 -29 Y CA 2.246 60.386 58.100 0.065 0.000 1.164 -29 Y CB -0.823 37.670 38.460 0.055 0.000 0.978 -29 Y HN -0.076 nan 8.280 nan 0.000 0.513 -28 A N -0.633 122.227 122.820 0.068 0.000 1.883 -28 A HA -0.184 4.135 4.320 -0.002 0.000 0.217 -28 A C 2.286 179.788 177.584 -0.137 0.000 1.186 -28 A CA 2.278 54.301 52.037 -0.023 0.000 0.624 -28 A CB -1.331 17.674 19.000 0.008 0.000 0.822 -28 A HN 0.327 nan 8.150 nan 0.000 0.444 -27 V N -0.040 119.738 119.914 -0.227 0.000 2.427 -27 V HA -0.203 3.916 4.120 -0.002 0.000 0.248 -27 V C 2.582 178.643 176.094 -0.055 0.000 1.051 -27 V CA 2.014 64.217 62.300 -0.161 0.000 1.048 -27 V CB -0.881 30.754 31.823 -0.314 0.000 0.666 -27 V HN 0.637 nan 8.190 nan 0.000 0.456 -26 R N 0.219 120.678 120.500 -0.068 0.000 2.091 -26 R HA -0.187 4.152 4.340 -0.002 0.000 0.238 -26 R C 2.321 178.544 176.300 -0.128 0.000 1.136 -26 R CA 2.220 58.284 56.100 -0.061 0.000 0.959 -26 R CB -0.436 29.804 30.300 -0.099 0.000 0.856 -26 R HN 0.545 nan 8.270 nan 0.000 0.437 -25 T N 0.507 114.918 114.554 -0.240 0.000 2.777 -25 T HA -0.059 4.290 4.350 -0.002 0.000 0.266 -25 T C 1.822 176.465 174.700 -0.095 0.000 1.040 -25 T CA 1.210 63.187 62.100 -0.204 0.000 1.141 -25 T CB -0.263 68.442 68.868 -0.271 0.000 0.868 -25 T HN 0.446 nan 8.240 nan 0.000 0.444 -24 A N 1.245 124.023 122.820 -0.070 0.000 1.858 -24 A HA -0.070 4.249 4.320 -0.002 0.000 0.216 -24 A C 2.591 180.166 177.584 -0.016 0.000 1.190 -24 A CA 1.561 53.579 52.037 -0.031 0.000 0.617 -24 A CB -1.129 17.861 19.000 -0.016 0.000 0.827 -24 A HN 0.343 nan 8.150 nan 0.000 0.443 -23 V N 0.055 119.969 119.914 0.001 0.000 2.407 -23 V HA -0.264 3.855 4.120 -0.002 0.000 0.248 -23 V C 2.397 178.490 176.094 -0.001 0.000 1.055 -23 V CA 2.022 64.333 62.300 0.019 0.000 1.049 -23 V CB -0.691 31.173 31.823 0.068 0.000 0.662 -23 V HN 0.552 nan 8.190 nan 0.000 0.455 -22 I N 0.233 120.794 120.570 -0.015 0.000 2.233 -22 I HA -0.155 4.014 4.170 -0.002 0.000 0.243 -22 I C 2.324 178.425 176.117 -0.026 0.000 1.093 -22 I CA 1.256 62.542 61.300 -0.023 0.000 1.380 -22 I CB -0.389 37.590 38.000 -0.034 0.000 1.067 -22 I HN 0.329 nan 8.210 nan 0.000 0.413 -21 N N 1.189 119.872 118.700 -0.029 0.000 2.188 -21 N HA -0.112 4.627 4.740 -0.002 0.000 0.184 -21 N C 1.841 177.338 175.510 -0.020 0.000 1.018 -21 N CA 1.535 54.571 53.050 -0.024 0.000 0.858 -21 N CB -0.416 38.057 38.487 -0.024 0.000 0.989 -21 N HN 0.327 nan 8.380 nan 0.000 0.426 -20 A N 0.805 123.614 122.820 -0.019 0.000 1.873 -20 A HA 0.070 4.389 4.320 -0.002 0.000 0.215 -20 A C 2.327 179.897 177.584 -0.024 0.000 1.186 -20 A CA 1.855 53.881 52.037 -0.018 0.000 0.616 -20 A CB -0.941 18.050 19.000 -0.016 0.000 0.823 -20 A HN 0.297 nan 8.150 nan 0.000 0.442 -19 A N 0.222 123.027 122.820 -0.025 0.000 1.902 -19 A HA -0.112 4.207 4.320 -0.002 0.000 0.217 -19 A C 2.489 180.053 177.584 -0.034 0.000 1.181 -19 A CA 2.400 54.417 52.037 -0.033 0.000 0.623 -19 A CB -0.951 18.027 19.000 -0.036 0.000 0.818 -19 A HN 1.077 nan 8.150 nan 0.000 0.443 -18 S N -1.683 114.000 115.700 -0.029 0.000 2.522 -18 S HA 0.313 4.782 4.470 -0.002 0.000 0.227 -18 S C 1.535 176.120 174.600 -0.025 0.000 0.986 -18 S CA 1.252 59.436 58.200 -0.027 0.000 0.929 -18 S CB -0.427 62.759 63.200 -0.024 0.000 0.769 -18 S HN 2.010 nan 8.310 nan 0.000 0.529 -17 G N 1.497 110.283 108.800 -0.024 0.000 2.179 -17 G HA2 -0.363 3.596 3.960 -0.002 0.000 0.260 -17 G HA3 -0.363 3.596 3.960 -0.002 0.000 0.260 -17 G C 0.835 175.725 174.900 -0.016 0.000 0.977 -17 G CA 0.479 45.567 45.100 -0.020 0.000 0.641 -17 G HN 0.567 nan 8.290 nan 0.000 0.533 -16 R N -0.144 120.346 120.500 -0.016 0.000 2.127 -16 R HA 0.044 4.383 4.340 -0.002 0.000 0.238 -16 R C 1.127 177.420 176.300 -0.010 0.000 1.134 -16 R CA 1.815 57.907 56.100 -0.013 0.000 0.975 -16 R CB -0.016 30.277 30.300 -0.013 0.000 0.865 -16 R HN 0.596 nan 8.270 nan 0.000 0.447 -15 Q N -0.934 118.859 119.800 -0.011 0.000 2.421 -15 Q HA 0.188 4.527 4.340 -0.002 0.000 0.280 -15 Q C -0.906 175.089 176.000 -0.009 0.000 1.085 -15 Q CA -0.657 55.141 55.803 -0.009 0.000 0.807 -15 Q CB 2.382 31.116 28.738 -0.008 0.000 1.405 -15 Q HN 0.169 nan 8.270 nan 0.000 0.419 -14 T N -2.527 112.024 114.554 -0.007 0.000 2.766 -14 T HA 0.169 4.518 4.350 -0.002 0.000 0.295 -14 T C 1.333 176.029 174.700 -0.006 0.000 1.024 -14 T CA -0.616 61.480 62.100 -0.006 0.000 1.018 -14 T CB 0.510 69.376 68.868 -0.003 0.000 1.002 -14 T HN 0.313 nan 8.240 nan 0.000 0.532 -13 V N 1.361 121.272 119.914 -0.006 0.000 2.255 -13 V HA -0.171 3.948 4.120 -0.002 0.000 0.247 -13 V C 2.595 178.688 176.094 -0.002 0.000 1.051 -13 V CA 2.295 64.592 62.300 -0.005 0.000 1.018 -13 V CB -0.990 30.830 31.823 -0.004 0.000 0.641 -13 V HN 0.883 nan 8.190 nan 0.000 0.445 -12 D N -0.102 120.299 120.400 0.001 0.000 2.106 -12 D HA -0.201 4.438 4.640 -0.002 0.000 0.191 -12 D C 2.225 178.528 176.300 0.004 0.000 0.997 -12 D CA 1.701 55.704 54.000 0.004 0.000 0.834 -12 D CB -0.292 40.511 40.800 0.006 0.000 0.956 -12 D HN 0.584 nan 8.370 nan 0.000 0.448 -11 E N 0.360 120.562 120.200 0.004 0.000 2.058 -11 E HA -0.160 4.189 4.350 -0.002 0.000 0.194 -11 E C 2.118 178.720 176.600 0.004 0.000 0.997 -11 E CA 1.162 57.565 56.400 0.005 0.000 0.801 -11 E CB -0.122 29.579 29.700 0.003 0.000 0.746 -11 E HN 0.243 nan 8.360 nan 0.000 0.450 -10 A N 1.153 123.973 122.820 -0.000 0.000 1.858 -10 A HA -0.159 4.160 4.320 -0.002 0.000 0.216 -10 A C 2.196 179.780 177.584 -0.000 0.000 1.190 -10 A CA 1.184 53.219 52.037 -0.003 0.000 0.617 -10 A CB -0.681 18.314 19.000 -0.007 0.000 0.827 -10 A HN 0.144 nan 8.150 nan 0.000 0.443 -9 L N -0.889 120.334 121.223 0.001 0.000 2.291 -9 L HA -0.104 4.235 4.340 -0.002 0.000 0.214 -9 L C 2.576 179.449 176.870 0.005 0.000 1.120 -9 L CA 1.271 56.112 54.840 0.002 0.000 0.799 -9 L CB -0.321 41.737 42.059 -0.002 0.000 0.925 -9 L HN 0.443 nan 8.230 nan 0.000 0.446 -8 K N 0.237 120.642 120.400 0.008 0.000 2.057 -8 K HA -0.173 4.146 4.320 -0.002 0.000 0.206 -8 K C 1.547 178.161 176.600 0.023 0.000 1.050 -8 K CA 1.467 57.763 56.287 0.015 0.000 0.935 -8 K CB 0.078 32.588 32.500 0.016 0.000 0.715 -8 K HN 0.215 nan 8.250 nan 0.000 0.439 -7 D N 0.645 121.058 120.400 0.021 0.000 2.092 -7 D HA -0.176 4.463 4.640 -0.002 0.000 0.193 -7 D C 1.789 178.109 176.300 0.033 0.000 0.994 -7 D CA 1.521 55.538 54.000 0.028 0.000 0.828 -7 D CB -0.350 40.463 40.800 0.021 0.000 0.963 -7 D HN 0.309 nan 8.370 nan 0.000 0.450 -6 A N 0.755 123.586 122.820 0.018 0.000 1.917 -6 A HA -0.300 4.019 4.320 -0.002 0.000 0.219 -6 A C 2.157 179.757 177.584 0.026 0.000 1.182 -6 A CA 2.355 54.400 52.037 0.013 0.000 0.633 -6 A CB -0.824 18.169 19.000 -0.011 0.000 0.819 -6 A HN 0.217 nan 8.150 nan 0.000 0.448 -5 Q N -0.327 119.486 119.800 0.022 0.000 1.998 -5 Q HA -0.187 4.152 4.340 -0.002 0.000 0.209 -5 Q C 2.035 178.066 176.000 0.051 0.000 1.002 -5 Q CA 3.101 58.920 55.803 0.025 0.000 0.858 -5 Q CB -1.098 27.651 28.738 0.019 0.000 0.932 -5 Q HN 0.554 nan 8.270 nan 0.000 0.416 -4 T N 1.096 115.685 114.554 0.058 0.000 2.788 -4 T HA -0.104 4.245 4.350 -0.002 0.000 0.268 -4 T C 1.456 176.216 174.700 0.100 0.000 1.044 -4 T CA 1.303 63.451 62.100 0.080 0.000 1.139 -4 T CB -0.333 68.582 68.868 0.078 0.000 0.867 -4 T HN 0.341 nan 8.240 nan 0.000 0.454 -3 N N 1.549 120.304 118.700 0.092 0.000 2.109 -3 N HA 0.043 4.782 4.740 -0.002 0.000 0.188 -3 N C 2.253 177.838 175.510 0.126 0.000 1.034 -3 N CA 1.326 54.442 53.050 0.109 0.000 0.846 -3 N CB -0.735 37.822 38.487 0.117 0.000 1.010 -3 N HN 0.403 nan 8.380 nan 0.000 0.425 -2 A N 0.932 123.819 122.820 0.112 0.000 1.940 -2 A HA 0.024 4.343 4.320 -0.002 0.000 0.219 -2 A C 2.087 179.785 177.584 0.189 0.000 1.176 -2 A CA 1.918 54.038 52.037 0.138 0.000 0.631 -2 A CB -0.613 18.431 19.000 0.073 0.000 0.814 -2 A HN 0.337 nan 8.150 nan 0.000 0.446 -1 A N -1.668 121.243 122.820 0.152 0.000 2.251 -1 A HA 0.519 4.838 4.320 -0.002 0.000 0.209 -1 A C 1.348 179.030 177.584 0.164 0.000 1.187 -1 A CA 1.034 53.179 52.037 0.181 0.000 0.823 -1 A CB -0.977 18.105 19.000 0.135 0.000 0.846 -1 A HN 2.000 nan 8.150 nan 0.000 0.486 0 A N -0.122 122.791 122.820 0.156 0.000 2.560 0 A HA -0.268 4.051 4.320 -0.002 0.000 0.299 0 A C 0.979 178.653 177.584 0.149 0.000 1.484 0 A CA 1.409 53.536 52.037 0.150 0.000 0.749 0 A CB -2.180 16.896 19.000 0.128 0.000 1.072 0 A HN 0.749 nan 8.150 nan 0.000 0.426 1 E N -1.163 119.126 120.200 0.147 0.000 2.152 1 E HA -0.055 4.294 4.350 -0.002 0.000 0.192 1 E C 1.386 178.058 176.600 0.121 0.000 0.983 1 E CA 1.155 57.627 56.400 0.119 0.000 0.818 1 E CB -0.097 29.665 29.700 0.104 0.000 0.758 1 E HN 0.906 nan 8.360 nan 0.000 0.467 2 F N 1.059 121.026 119.950 0.028 0.000 2.069 2 F HA -0.196 4.330 4.527 -0.002 0.000 0.298 2 F C 2.071 177.870 175.800 -0.002 0.000 1.113 2 F CA 1.762 59.754 58.000 -0.012 0.000 1.214 2 F CB -0.421 38.553 39.000 -0.043 0.000 0.978 2 F HN 0.074 nan 8.300 nan 0.000 0.474 3 A N 0.262 123.237 122.820 0.258 0.000 1.940 3 A HA -0.100 4.219 4.320 -0.002 0.000 0.219 3 A C 2.322 179.964 177.584 0.097 0.000 1.176 3 A CA 1.791 53.955 52.037 0.212 0.000 0.631 3 A CB -1.533 17.618 19.000 0.252 0.000 0.814 3 A HN 0.530 nan 8.150 nan 0.000 0.446 4 A N -0.924 121.939 122.820 0.072 0.000 1.968 4 A HA 0.118 4.437 4.320 -0.002 0.000 0.217 4 A C 2.045 179.656 177.584 0.044 0.000 1.169 4 A CA 1.504 53.581 52.037 0.067 0.000 0.638 4 A CB -0.415 18.621 19.000 0.060 0.000 0.812 4 A HN 0.597 nan 8.150 nan 0.000 0.446 5 L N -0.709 120.484 121.223 -0.050 0.000 2.044 5 L HA -0.008 4.331 4.340 -0.002 0.000 0.205 5 L C 2.155 178.934 176.870 -0.151 0.000 1.075 5 L CA 1.835 56.609 54.840 -0.111 0.000 0.747 5 L CB -0.831 41.117 42.059 -0.186 0.000 0.903 5 L HN 0.319 nan 8.230 nan 0.000 0.435 6 L N -0.689 120.382 121.223 -0.253 0.000 2.046 6 L HA -0.236 4.103 4.340 -0.002 0.000 0.208 6 L C 2.573 179.418 176.870 -0.042 0.000 1.077 6 L CA 2.189 56.902 54.840 -0.212 0.000 0.747 6 L CB -0.900 40.995 42.059 -0.273 0.000 0.896 6 L HN 0.560 nan 8.230 nan 0.000 0.432 7 H N -1.214 117.830 119.070 -0.044 0.000 2.352 7 H HA -0.135 4.420 4.556 -0.002 0.000 0.299 7 H C 2.282 177.602 175.328 -0.015 0.000 1.097 7 H CA 2.006 58.055 56.048 0.002 0.000 1.311 7 H CB -0.077 29.705 29.762 0.034 0.000 1.377 7 H HN 0.395 nan 8.280 nan 0.000 0.504 8 S N -0.106 115.600 115.700 0.009 0.000 2.383 8 S HA -0.128 4.341 4.470 -0.002 0.000 0.229 8 S C 2.238 176.784 174.600 -0.090 0.000 1.030 8 S CA 1.292 59.469 58.200 -0.039 0.000 1.002 8 S CB -0.255 62.946 63.200 0.002 0.000 0.829 8 S HN 0.367 nan 8.310 nan 0.000 0.467 9 L N 0.802 121.970 121.223 -0.092 0.000 2.046 9 L HA -0.102 4.237 4.340 -0.002 0.000 0.208 9 L C 2.206 179.011 176.870 -0.109 0.000 1.077 9 L CA 1.073 55.857 54.840 -0.092 0.000 0.747 9 L CB -0.633 41.369 42.059 -0.095 0.000 0.896 9 L HN 0.301 nan 8.230 nan 0.000 0.432 10 L N -0.640 120.497 121.223 -0.143 0.000 2.044 10 L HA -0.167 4.172 4.340 -0.002 0.000 0.205 10 L C 2.507 179.266 176.870 -0.185 0.000 1.075 10 L CA 1.063 55.810 54.840 -0.155 0.000 0.747 10 L CB -0.521 41.447 42.059 -0.151 0.000 0.903 10 L HN 0.237 nan 8.230 nan 0.000 0.435 11 E N 0.366 120.403 120.200 -0.272 0.000 2.048 11 E HA -0.317 4.032 4.350 -0.002 0.000 0.202 11 E C 2.258 178.792 176.600 -0.110 0.000 1.021 11 E CA 1.643 57.920 56.400 -0.205 0.000 0.825 11 E CB -0.166 29.406 29.700 -0.213 0.000 0.756 11 E HN 0.496 nan 8.360 nan 0.000 0.454 12 A N 1.031 123.795 122.820 -0.092 0.000 1.883 12 A HA -0.292 4.027 4.320 -0.002 0.000 0.217 12 A C 1.912 179.462 177.584 -0.057 0.000 1.186 12 A CA 2.057 54.058 52.037 -0.060 0.000 0.624 12 A CB -0.891 18.078 19.000 -0.051 0.000 0.822 12 A HN 0.318 nan 8.150 nan 0.000 0.444 13 N N -0.873 117.786 118.700 -0.069 0.000 2.104 13 N HA -0.188 4.551 4.740 -0.002 0.000 0.190 13 N C 1.713 177.187 175.510 -0.060 0.000 1.024 13 N CA 1.850 54.863 53.050 -0.063 0.000 0.853 13 N CB -0.587 37.858 38.487 -0.071 0.000 1.008 13 N HN 0.474 nan 8.380 nan 0.000 0.424 14 c N -0.518 118.040 118.600 -0.071 0.000 2.446 14 c HA 0.049 4.618 4.570 -0.002 0.000 0.277 14 c C 2.745 176.815 174.090 -0.033 0.000 1.275 14 c CA 1.154 57.447 56.329 -0.060 0.000 1.727 14 c CB -1.483 40.983 42.510 -0.072 0.000 2.010 14 c HN 0.507 nan 8.230 nan 0.000 0.486 15 S N 0.754 116.435 115.700 -0.031 0.000 2.368 15 S HA -0.097 4.372 4.470 -0.002 0.000 0.225 15 S C 1.700 176.291 174.600 -0.016 0.000 1.030 15 S CA 1.457 59.648 58.200 -0.016 0.000 0.999 15 S CB -0.360 62.831 63.200 -0.015 0.000 0.844 15 S HN 0.635 nan 8.310 nan 0.000 0.459 16 L N 1.120 122.329 121.223 -0.024 0.000 2.017 16 L HA -0.162 4.177 4.340 -0.002 0.000 0.208 16 L C 2.876 179.733 176.870 -0.022 0.000 1.073 16 L CA 1.342 56.169 54.840 -0.022 0.000 0.745 16 L CB -0.853 41.190 42.059 -0.026 0.000 0.894 16 L HN 0.344 nan 8.230 nan 0.000 0.432 17 A N -0.020 122.784 122.820 -0.026 0.000 1.917 17 A HA -0.264 4.055 4.320 -0.002 0.000 0.219 17 A C 2.196 179.768 177.584 -0.020 0.000 1.182 17 A CA 1.924 53.945 52.037 -0.026 0.000 0.633 17 A CB -0.737 18.244 19.000 -0.032 0.000 0.819 17 A HN 0.352 nan 8.150 nan 0.000 0.448 18 L N -0.264 120.951 121.223 -0.013 0.000 2.017 18 L HA -0.061 4.278 4.340 -0.002 0.000 0.208 18 L C 2.699 179.561 176.870 -0.013 0.000 1.073 18 L CA 2.254 57.089 54.840 -0.008 0.000 0.745 18 L CB -1.011 41.053 42.059 0.008 0.000 0.894 18 L HN 0.362 nan 8.230 nan 0.000 0.432 19 A N -0.649 122.164 122.820 -0.011 0.000 1.873 19 A HA -0.317 4.002 4.320 -0.002 0.000 0.218 19 A C 2.217 179.792 177.584 -0.015 0.000 1.193 19 A CA 2.173 54.203 52.037 -0.011 0.000 0.629 19 A CB -0.909 18.085 19.000 -0.010 0.000 0.826 19 A HN 0.604 nan 8.150 nan 0.000 0.447 20 E N -0.983 119.206 120.200 -0.018 0.000 2.070 20 E HA -0.256 4.093 4.350 -0.002 0.000 0.197 20 E C 2.103 178.688 176.600 -0.024 0.000 1.004 20 E CA 1.648 58.036 56.400 -0.020 0.000 0.805 20 E CB -0.119 29.569 29.700 -0.021 0.000 0.744 20 E HN 0.815 nan 8.360 nan 0.000 0.451 21 E N -0.002 120.179 120.200 -0.031 0.000 2.047 21 E HA -0.201 4.148 4.350 -0.002 0.000 0.191 21 E C 1.884 178.458 176.600 -0.044 0.000 0.987 21 E CA 0.753 57.126 56.400 -0.045 0.000 0.799 21 E CB 0.037 29.698 29.700 -0.064 0.000 0.752 21 E HN 0.070 nan 8.360 nan 0.000 0.449 22 L N 0.665 121.867 121.223 -0.036 0.000 2.079 22 L HA -0.145 4.194 4.340 -0.002 0.000 0.210 22 L C 2.361 179.221 176.870 -0.017 0.000 1.081 22 L CA 1.252 56.077 54.840 -0.026 0.000 0.752 22 L CB -0.959 41.091 42.059 -0.015 0.000 0.896 22 L HN 0.327 nan 8.230 nan 0.000 0.433 23 L N -1.287 119.927 121.223 -0.015 0.000 2.093 23 L HA -0.148 4.191 4.340 -0.002 0.000 0.208 23 L C 2.173 179.037 176.870 -0.011 0.000 1.085 23 L CA 1.616 56.450 54.840 -0.011 0.000 0.755 23 L CB -0.300 41.753 42.059 -0.010 0.000 0.904 23 L HN 0.183 nan 8.230 nan 0.000 0.435 24 L N -1.104 120.109 121.223 -0.015 0.000 2.341 24 L HA 0.001 4.340 4.340 -0.002 0.000 0.214 24 L C 0.867 177.729 176.870 -0.012 0.000 1.115 24 L CA -0.278 54.554 54.840 -0.014 0.000 0.820 24 L CB -0.647 41.401 42.059 -0.017 0.000 0.944 24 L HN 0.196 nan 8.230 nan 0.000 0.452 37 Y N 1.245 121.326 120.300 -0.364 0.000 2.466 37 Y HA 0.235 4.784 4.550 -0.001 0.000 0.272 37 Y C 1.820 177.540 175.900 -0.300 0.000 1.169 37 Y CA 0.900 58.845 58.100 -0.259 0.000 1.285 37 Y CB 0.386 38.758 38.460 -0.147 0.000 1.078 37 Y HN 0.074 nan 8.280 nan 0.000 0.523 38 S N -1.561 113.910 115.700 -0.383 0.000 2.557 38 S HA 0.139 4.608 4.470 -0.002 0.000 0.223 38 S C -0.218 174.229 174.600 -0.254 0.000 0.969 38 S CA -0.417 57.615 58.200 -0.280 0.000 0.927 38 S CB -0.625 62.450 63.200 -0.208 0.000 0.806 38 S HN 0.115 nan 8.310 nan 0.000 0.489 39 Y N 0.882 121.134 120.300 -0.080 0.000 2.301 39 Y HA 0.480 5.029 4.550 -0.001 0.000 0.328 39 Y C 0.861 176.649 175.900 -0.186 0.000 1.242 39 Y CA -2.271 55.753 58.100 -0.125 0.000 1.323 39 Y CB -0.038 38.369 38.460 -0.088 0.000 1.266 39 Y HN 0.091 nan 8.280 nan 0.000 0.527 40 c N 4.034 122.545 118.600 -0.148 0.000 2.325 40 c HA 0.250 4.819 4.570 -0.002 0.000 0.347 40 c C 0.320 174.378 174.090 -0.053 0.000 1.263 40 c CA -1.274 54.805 56.329 -0.417 0.000 1.806 40 c CB -1.222 40.433 42.510 -1.426 0.000 2.405 40 c HN 0.677 nan 8.230 nan 0.000 0.537 41 N N 2.035 120.805 118.700 0.117 0.000 2.479 41 N HA 0.102 4.841 4.740 -0.002 0.000 0.257 41 N C 0.244 176.012 175.510 0.431 0.000 1.232 41 N CA 0.299 53.489 53.050 0.234 0.000 0.920 41 N CB 0.599 39.190 38.487 0.174 0.000 1.105 41 N HN 0.603 nan 8.380 nan 0.000 0.444 42 T N 1.755 116.491 114.554 0.303 0.000 2.934 42 T HA 0.139 4.488 4.350 -0.002 0.000 0.306 42 T C 0.313 175.150 174.700 0.228 0.000 1.042 42 T CA 0.208 62.478 62.100 0.283 0.000 1.145 42 T CB 0.062 69.019 68.868 0.148 0.000 0.982 42 T HN 0.442 nan 8.240 nan 0.000 0.544 43 T N 2.465 117.123 114.554 0.173 0.000 2.906 43 T HA 0.595 4.944 4.350 -0.002 0.000 0.295 43 T C -0.976 173.764 174.700 0.066 0.000 1.075 43 T CA -0.887 61.269 62.100 0.094 0.000 1.005 43 T CB 1.671 70.553 68.868 0.024 0.000 1.136 43 T HN 0.364 nan 8.240 nan 0.000 0.498 44 L N 3.151 124.402 121.223 0.047 0.000 2.305 44 L HA 0.566 4.905 4.340 -0.002 0.000 0.284 44 L C -0.514 176.402 176.870 0.076 0.000 1.013 44 L CA -0.373 54.476 54.840 0.016 0.000 0.819 44 L CB 0.694 42.740 42.059 -0.022 0.000 1.227 44 L HN 0.820 nan 8.230 nan 0.000 0.417 45 D N 2.165 122.627 120.400 0.104 0.000 2.451 45 D HA 0.115 4.754 4.640 -0.002 0.000 0.259 45 D C 0.509 176.857 176.300 0.079 0.000 1.201 45 D CA -0.253 53.822 54.000 0.125 0.000 1.028 45 D CB 0.643 41.589 40.800 0.243 0.000 1.095 45 D HN 0.554 nan 8.370 nan 0.000 0.539 46 Q N -0.969 118.858 119.800 0.045 0.000 2.368 46 Q HA 0.007 4.346 4.340 -0.002 0.000 0.210 46 Q C 1.155 177.126 176.000 -0.050 0.000 0.982 46 Q CA 0.941 56.760 55.803 0.027 0.000 0.884 46 Q CB -0.047 28.696 28.738 0.010 0.000 0.933 46 Q HN 0.497 nan 8.270 nan 0.000 0.460 47 I N -2.299 118.130 120.570 -0.235 0.000 3.783 47 I HA 0.200 4.369 4.170 -0.002 0.000 0.310 47 I C 1.227 177.206 176.117 -0.229 0.000 1.274 47 I CA 0.997 61.914 61.300 -0.638 0.000 1.294 47 I CB -0.076 37.343 38.000 -0.968 0.000 1.051 47 I HN 0.302 nan 8.210 nan 0.000 0.435 48 G N 1.464 110.239 108.800 -0.042 0.000 2.163 48 G HA2 -0.208 3.751 3.960 -0.002 0.000 0.213 48 G HA3 -0.208 3.751 3.960 -0.002 0.000 0.213 48 G C 0.354 175.192 174.900 -0.103 0.000 0.991 48 G CA 0.127 45.229 45.100 0.004 0.000 0.653 48 G HN 0.308 nan 8.290 nan 0.000 0.518 49 T N 0.833 115.286 114.554 -0.168 0.000 2.794 49 T HA 0.404 4.753 4.350 -0.002 0.000 0.296 49 T C 0.524 174.907 174.700 -0.528 0.000 0.949 49 T CA 0.335 62.195 62.100 -0.400 0.000 1.101 49 T CB 1.656 70.182 68.868 -0.569 0.000 0.905 49 T HN 0.719 nan 8.240 nan 0.000 0.516 50 c N 6.576 124.888 118.600 -0.481 0.000 2.322 50 c HA 0.429 4.998 4.570 -0.002 0.000 0.343 50 c C -0.225 173.580 174.090 -0.475 0.000 1.190 50 c CA -1.317 54.801 56.329 -0.351 0.000 1.704 50 c CB -1.722 40.667 42.510 -0.201 0.000 2.293 50 c HN 0.912 nan 8.230 nan 0.000 0.523 51 W N 8.792 129.970 121.300 -0.203 0.000 2.387 51 W HA 0.328 4.987 4.660 -0.001 0.000 0.310 51 W C -1.718 174.791 176.519 -0.015 0.000 1.181 51 W CA -2.389 54.800 57.345 -0.260 0.000 1.333 51 W CB 0.259 29.247 29.460 -0.788 0.000 1.286 51 W HN 0.596 nan 8.180 nan 0.000 0.455 52 P HA 0.028 nan 4.420 nan 0.000 0.274 52 P C 0.151 177.657 177.300 0.344 0.000 1.246 52 P CA -0.432 62.796 63.100 0.214 0.000 0.795 52 P CB 0.694 32.463 31.700 0.114 0.000 1.006 53 R N 1.099 121.710 120.500 0.186 0.000 2.504 53 R HA 0.068 4.407 4.340 -0.002 0.000 0.302 53 R C -0.056 176.263 176.300 0.031 0.000 0.893 53 R CA 1.136 57.281 56.100 0.076 0.000 1.138 53 R CB -0.585 29.652 30.300 -0.105 0.000 0.880 53 R HN 0.523 nan 8.270 nan 0.000 0.415 54 S N 1.178 116.884 115.700 0.011 0.000 2.599 54 S HA 0.560 5.029 4.470 -0.002 0.000 0.287 54 S C -0.730 173.846 174.600 -0.039 0.000 1.105 54 S CA -0.805 57.380 58.200 -0.025 0.000 0.899 54 S CB 2.134 65.343 63.200 0.016 0.000 1.100 54 S HN 0.695 nan 8.310 nan 0.000 0.482 55 A N 1.338 124.164 122.820 0.009 0.000 2.401 55 A HA 0.664 4.984 4.320 -0.002 0.000 0.259 55 A C 0.555 178.113 177.584 -0.043 0.000 1.103 55 A CA -0.293 51.783 52.037 0.065 0.000 0.789 55 A CB -0.294 18.745 19.000 0.065 0.000 1.035 55 A HN 1.196 nan 8.150 nan 0.000 0.491 56 A N 1.620 124.411 122.820 -0.048 0.000 2.566 56 A HA 0.452 4.771 4.320 -0.002 0.000 0.245 56 A C 1.615 179.159 177.584 -0.067 0.000 1.056 56 A CA 0.933 52.912 52.037 -0.096 0.000 0.757 56 A CB -0.845 18.105 19.000 -0.083 0.000 0.979 56 A HN 2.749 nan 8.150 nan 0.000 0.508 57 G N 0.869 109.621 108.800 -0.080 0.000 2.175 57 G HA2 0.165 4.124 3.960 -0.002 0.000 0.244 57 G HA3 0.165 4.124 3.960 -0.002 0.000 0.244 57 G C 0.522 175.406 174.900 -0.026 0.000 0.982 57 G CA 0.347 45.420 45.100 -0.045 0.000 0.641 57 G HN 2.219 nan 8.290 nan 0.000 0.527 58 A N 0.080 122.880 122.820 -0.032 0.000 2.363 58 A HA 0.720 5.039 4.320 -0.002 0.000 0.270 58 A C 0.145 177.757 177.584 0.047 0.000 1.121 58 A CA -0.129 51.916 52.037 0.013 0.000 0.800 58 A CB 0.906 19.921 19.000 0.024 0.000 1.052 58 A HN 1.326 nan 8.150 nan 0.000 0.493 59 L N 4.445 125.714 121.223 0.077 0.000 2.261 59 L HA 0.443 4.782 4.340 -0.002 0.000 0.289 59 L C -0.326 176.656 176.870 0.187 0.000 1.059 59 L CA 0.245 55.160 54.840 0.124 0.000 0.816 59 L CB 0.740 42.862 42.059 0.106 0.000 1.191 59 L HN 0.430 nan 8.230 nan 0.000 0.431 60 V N 5.155 125.217 119.914 0.248 0.000 2.617 60 V HA 0.500 4.619 4.120 -0.002 0.000 0.298 60 V C -0.057 176.226 176.094 0.315 0.000 1.048 60 V CA -0.652 61.833 62.300 0.308 0.000 0.964 60 V CB 1.551 33.664 31.823 0.483 0.000 1.004 60 V HN 0.839 nan 8.190 nan 0.000 0.466 61 E N 4.196 124.508 120.200 0.187 0.000 2.293 61 E HA 0.785 5.134 4.350 -0.002 0.000 0.270 61 E C -1.344 175.182 176.600 -0.124 0.000 0.879 61 E CA -1.240 55.120 56.400 -0.067 0.000 0.756 61 E CB 2.557 32.084 29.700 -0.288 0.000 1.208 61 E HN 0.362 nan 8.360 nan 0.000 0.428 62 R N 1.995 122.309 120.500 -0.310 0.000 2.725 62 R HA 0.442 4.781 4.340 -0.002 0.000 0.277 62 R C -2.804 173.283 176.300 -0.356 0.000 0.987 62 R CA -2.778 53.087 56.100 -0.391 0.000 0.901 62 R CB 1.280 31.148 30.300 -0.721 0.000 1.207 62 R HN 0.504 nan 8.270 nan 0.000 0.463 63 P HA -0.024 nan 4.420 nan 0.000 0.263 63 P C 0.009 177.205 177.300 -0.173 0.000 1.175 63 P CA 0.013 63.008 63.100 -0.174 0.000 0.761 63 P CB 0.330 31.959 31.700 -0.118 0.000 0.794 64 c N 6.112 124.648 118.600 -0.107 0.000 2.692 64 c HA 0.051 4.620 4.570 -0.002 0.000 0.409 64 c C -1.413 172.667 174.090 -0.016 0.000 1.284 64 c CA -0.414 55.890 56.329 -0.041 0.000 1.909 64 c CB -1.170 41.356 42.510 0.027 0.000 2.713 64 c HN 0.547 nan 8.230 nan 0.000 0.649 65 P HA 0.105 nan 4.420 nan 0.000 0.271 65 P C 0.171 177.562 177.300 0.152 0.000 1.216 65 P CA 0.281 63.396 63.100 0.026 0.000 0.776 65 P CB 0.527 32.210 31.700 -0.028 0.000 0.881 66 E N 1.445 121.746 120.200 0.168 0.000 2.150 66 E HA -0.126 4.223 4.350 -0.002 0.000 0.193 66 E C -0.230 176.578 176.600 0.346 0.000 0.985 66 E CA 0.848 57.376 56.400 0.213 0.000 0.814 66 E CB 0.073 29.867 29.700 0.156 0.000 0.752 66 E HN 0.524 nan 8.360 nan 0.000 0.466 67 Y N -1.018 119.429 120.300 0.244 0.000 2.513 67 Y HA 0.409 4.958 4.550 -0.002 0.000 0.340 67 Y C -2.008 174.133 175.900 0.402 0.000 1.055 67 Y CA -1.313 56.970 58.100 0.304 0.000 1.020 67 Y CB 1.433 40.053 38.460 0.267 0.000 1.301 67 Y HN -0.127 nan 8.280 nan 0.000 0.453 68 F N 6.941 126.690 119.950 -0.335 0.000 2.630 68 F HA 0.316 4.842 4.527 -0.002 0.000 0.325 68 F C -0.466 175.077 175.800 -0.429 0.000 1.184 68 F CA -1.026 56.814 58.000 -0.268 0.000 1.011 68 F CB 1.080 40.002 39.000 -0.130 0.000 1.268 68 F HN 0.728 nan 8.300 nan 0.000 0.480 69 N N 4.306 122.372 118.700 -1.057 0.000 2.686 69 N HA -0.156 4.583 4.740 -0.002 0.000 0.261 69 N C 0.866 176.043 175.510 -0.554 0.000 1.001 69 N CA 2.077 54.620 53.050 -0.846 0.000 0.764 69 N CB -0.872 36.818 38.487 -1.328 0.000 0.898 69 N HN 1.754 nan 8.380 nan 0.000 0.544 70 G N -2.403 106.073 108.800 -0.540 0.000 2.253 70 G HA2 -0.266 3.693 3.960 -0.002 0.000 0.251 70 G HA3 -0.266 3.693 3.960 -0.002 0.000 0.251 70 G C -0.013 174.692 174.900 -0.325 0.000 0.998 70 G CA 0.394 45.320 45.100 -0.289 0.000 0.621 70 G HN 0.925 nan 8.290 nan 0.000 0.524 71 V N 1.439 121.083 119.914 -0.450 0.000 2.628 71 V HA 0.584 4.703 4.120 -0.002 0.000 0.306 71 V C 0.187 176.104 176.094 -0.294 0.000 1.045 71 V CA -1.145 60.958 62.300 -0.328 0.000 0.905 71 V CB 1.894 33.514 31.823 -0.338 0.000 0.997 71 V HN 0.289 nan 8.190 nan 0.000 0.436 72 K N 2.862 123.111 120.400 -0.251 0.000 2.118 72 K HA 0.632 4.951 4.320 -0.002 0.000 0.267 72 K C -1.607 174.798 176.600 -0.325 0.000 0.991 72 K CA -0.486 55.752 56.287 -0.080 0.000 0.916 72 K CB 1.466 33.975 32.500 0.015 0.000 1.041 72 K HN 0.558 nan 8.250 nan 0.000 0.455 73 Y N 0.218 120.550 120.300 0.054 0.000 2.499 73 Y HA 0.121 4.670 4.550 -0.002 0.000 0.347 73 Y C 0.321 176.248 175.900 0.044 0.000 0.987 73 Y CA -1.187 56.941 58.100 0.046 0.000 1.044 73 Y CB 1.388 39.881 38.460 0.055 0.000 1.245 73 Y HN 0.551 nan 8.280 nan 0.000 0.461 74 N N 1.245 120.049 118.700 0.173 0.000 2.423 74 N HA -0.053 4.686 4.740 -0.002 0.000 0.275 74 N C 0.749 176.327 175.510 0.114 0.000 1.283 74 N CA 0.446 53.564 53.050 0.113 0.000 0.932 74 N CB 0.589 39.128 38.487 0.087 0.000 1.185 74 N HN 0.802 nan 8.380 nan 0.000 0.483 75 T N -0.570 114.036 114.554 0.087 0.000 3.194 75 T HA 0.005 4.354 4.350 -0.002 0.000 0.251 75 T C 1.007 175.722 174.700 0.024 0.000 1.132 75 T CA 0.320 62.453 62.100 0.054 0.000 1.028 75 T CB -0.311 68.584 68.868 0.045 0.000 0.976 75 T HN 0.349 nan 8.240 nan 0.000 0.535 76 T N 1.104 115.678 114.554 0.033 0.000 3.129 76 T HA 0.250 4.599 4.350 -0.002 0.000 0.251 76 T C 0.724 175.438 174.700 0.022 0.000 1.117 76 T CA 0.029 62.142 62.100 0.022 0.000 1.034 76 T CB 0.215 69.100 68.868 0.028 0.000 0.968 76 T HN 0.406 nan 8.240 nan 0.000 0.526 77 R N 1.234 121.750 120.500 0.027 0.000 2.873 77 R HA 0.542 4.882 4.340 -0.002 0.000 0.264 77 R C -0.542 175.742 176.300 -0.028 0.000 1.026 77 R CA -0.811 55.306 56.100 0.030 0.000 1.002 77 R CB 0.944 31.283 30.300 0.066 0.000 1.174 77 R HN 0.075 nan 8.270 nan 0.000 0.488 78 N N -0.312 118.343 118.700 -0.075 0.000 2.328 78 N HA 0.519 5.258 4.740 -0.002 0.000 0.299 78 N C -1.148 174.154 175.510 -0.347 0.000 1.179 78 N CA -0.662 52.218 53.050 -0.284 0.000 0.793 78 N CB 2.097 40.275 38.487 -0.515 0.000 1.366 78 N HN 0.568 nan 8.380 nan 0.000 0.493 79 A N 0.469 123.020 122.820 -0.447 0.000 2.269 79 A HA 0.753 5.072 4.320 -0.002 0.000 0.319 79 A C -1.468 175.860 177.584 -0.426 0.000 1.110 79 A CA -0.291 51.491 52.037 -0.425 0.000 0.847 79 A CB 0.452 19.008 19.000 -0.739 0.000 1.161 79 A HN 0.625 nan 8.150 nan 0.000 0.497 80 Y N -0.620 119.683 120.300 0.005 0.000 2.421 80 Y HA 0.670 5.219 4.550 -0.002 0.000 0.339 80 Y C 0.122 175.926 175.900 -0.160 0.000 0.996 80 Y CA -0.428 57.694 58.100 0.035 0.000 1.046 80 Y CB 2.171 40.625 38.460 -0.009 0.000 1.226 80 Y HN 0.787 nan 8.280 nan 0.000 0.445 81 R N 2.090 122.494 120.500 -0.161 0.000 2.564 81 R HA 0.364 4.703 4.340 -0.002 0.000 0.284 81 R C -1.478 174.808 176.300 -0.022 0.000 1.031 81 R CA -0.822 55.030 56.100 -0.414 0.000 0.904 81 R CB 1.818 31.247 30.300 -1.453 0.000 1.199 81 R HN 0.829 nan 8.270 nan 0.000 0.443 82 E N 3.281 123.505 120.200 0.039 0.000 2.229 82 E HA 0.134 4.483 4.350 -0.002 0.000 0.283 82 E C -1.155 175.511 176.600 0.111 0.000 1.030 82 E CA -0.540 55.911 56.400 0.085 0.000 0.836 82 E CB 1.230 30.946 29.700 0.027 0.000 1.068 82 E HN 0.550 nan 8.360 nan 0.000 0.401 83 c N 7.691 126.255 118.600 -0.061 0.000 2.256 83 c HA 0.408 4.977 4.570 -0.002 0.000 0.333 83 c C 0.129 174.097 174.090 -0.203 0.000 1.183 83 c CA -0.732 55.368 56.329 -0.382 0.000 1.692 83 c CB -1.757 40.355 42.510 -0.664 0.000 2.274 83 c HN 0.801 nan 8.230 nan 0.000 0.509 84 L N 4.740 125.869 121.223 -0.156 0.000 2.476 84 L HA 0.162 4.501 4.340 -0.002 0.000 0.264 84 L C 1.920 178.732 176.870 -0.098 0.000 1.224 84 L CA 0.223 55.008 54.840 -0.092 0.000 0.821 84 L CB 0.300 42.323 42.059 -0.060 0.000 1.101 84 L HN 0.737 nan 8.230 nan 0.000 0.488 85 E N 1.284 121.445 120.200 -0.066 0.000 2.209 85 E HA -0.239 4.110 4.350 -0.002 0.000 0.196 85 E C 1.219 177.781 176.600 -0.064 0.000 0.993 85 E CA 1.479 57.843 56.400 -0.059 0.000 0.819 85 E CB 0.077 29.752 29.700 -0.041 0.000 0.745 85 E HN 0.772 nan 8.360 nan 0.000 0.477 86 N N -0.341 118.322 118.700 -0.063 0.000 2.383 86 N HA 0.018 4.757 4.740 -0.002 0.000 0.192 86 N C 0.925 176.391 175.510 -0.072 0.000 1.141 86 N CA 0.938 53.954 53.050 -0.057 0.000 0.851 86 N CB 0.394 38.856 38.487 -0.041 0.000 0.976 86 N HN 0.204 nan 8.380 nan 0.000 0.465 87 G N -0.684 108.051 108.800 -0.108 0.000 2.137 87 G HA2 -0.248 3.711 3.960 -0.002 0.000 0.237 87 G HA3 -0.248 3.711 3.960 -0.002 0.000 0.237 87 G C -0.051 174.754 174.900 -0.158 0.000 1.002 87 G CA 0.565 45.582 45.100 -0.138 0.000 0.702 87 G HN 0.879 nan 8.290 nan 0.000 0.515 88 T N -2.897 111.567 114.554 -0.149 0.000 2.887 88 T HA 0.600 4.949 4.350 -0.002 0.000 0.288 88 T C 0.039 174.660 174.700 -0.131 0.000 1.021 88 T CA -0.885 61.152 62.100 -0.104 0.000 1.000 88 T CB 1.730 70.588 68.868 -0.018 0.000 1.034 88 T HN 0.383 nan 8.240 nan 0.000 0.467 89 W N 1.539 122.813 121.300 -0.043 0.000 2.190 89 W HA 0.528 5.187 4.660 -0.001 0.000 0.330 89 W C 1.001 177.460 176.519 -0.100 0.000 1.299 89 W CA -0.595 56.693 57.345 -0.096 0.000 1.215 89 W CB 0.477 29.855 29.460 -0.136 0.000 1.147 89 W HN 1.025 nan 8.180 nan 0.000 0.563 90 A N 2.048 124.974 122.820 0.178 0.000 2.520 90 A HA 0.044 4.363 4.320 -0.002 0.000 0.235 90 A C 1.482 179.089 177.584 0.038 0.000 1.065 90 A CA 0.566 52.642 52.037 0.065 0.000 0.764 90 A CB 0.494 19.509 19.000 0.025 0.000 1.002 90 A HN 0.747 nan 8.150 nan 0.000 0.502 91 S N 0.957 116.669 115.700 0.020 0.000 2.368 91 S HA -0.044 4.425 4.470 -0.002 0.000 0.224 91 S C 1.025 175.617 174.600 -0.013 0.000 1.029 91 S CA 1.200 59.406 58.200 0.010 0.000 0.988 91 S CB -0.256 62.952 63.200 0.014 0.000 0.838 91 S HN 0.655 nan 8.310 nan 0.000 0.462 92 K N 0.925 121.315 120.400 -0.017 0.000 2.130 92 K HA 0.460 4.779 4.320 -0.002 0.000 0.268 92 K C -1.127 175.443 176.600 -0.050 0.000 0.983 92 K CA -0.332 55.947 56.287 -0.014 0.000 0.893 92 K CB 1.258 33.760 32.500 0.003 0.000 1.066 92 K HN 0.248 nan 8.250 nan 0.000 0.450 93 I N 2.682 123.242 120.570 -0.017 0.000 2.378 93 I HA 0.102 4.271 4.170 -0.002 0.000 0.291 93 I C 0.146 176.280 176.117 0.029 0.000 0.992 93 I CA -0.836 60.431 61.300 -0.055 0.000 1.154 93 I CB 1.301 39.312 38.000 0.018 0.000 1.315 93 I HN 0.427 nan 8.210 nan 0.000 0.448 94 N N 5.588 124.278 118.700 -0.018 0.000 2.406 94 N HA 0.030 4.769 4.740 -0.002 0.000 0.265 94 N C -0.380 175.124 175.510 -0.010 0.000 1.203 94 N CA 0.551 53.627 53.050 0.043 0.000 0.945 94 N CB 0.202 38.736 38.487 0.078 0.000 1.165 94 N HN 0.474 nan 8.380 nan 0.000 0.485 95 Y N 0.727 121.067 120.300 0.066 0.000 2.584 95 Y HA 0.035 4.584 4.550 -0.002 0.000 0.254 95 Y C 2.083 178.002 175.900 0.033 0.000 1.177 95 Y CA -0.166 57.952 58.100 0.029 0.000 1.216 95 Y CB 0.335 38.766 38.460 -0.049 0.000 1.172 95 Y HN 0.602 nan 8.280 nan 0.000 0.529 96 S N -0.823 114.974 115.700 0.162 0.000 2.419 96 S HA -0.199 4.271 4.470 -0.002 0.000 0.233 96 S C 1.531 176.202 174.600 0.118 0.000 1.016 96 S CA 1.094 59.365 58.200 0.119 0.000 0.974 96 S CB -0.047 63.199 63.200 0.078 0.000 0.786 96 S HN 0.363 nan 8.310 nan 0.000 0.492 97 Q N 0.125 120.008 119.800 0.138 0.000 2.425 97 Q HA 0.248 4.588 4.340 -0.002 0.000 0.204 97 Q C 0.221 176.300 176.000 0.132 0.000 0.933 97 Q CA 0.034 55.916 55.803 0.132 0.000 0.939 97 Q CB -0.558 28.282 28.738 0.170 0.000 1.044 97 Q HN 0.572 nan 8.270 nan 0.000 0.513 98 c N 2.899 121.587 118.600 0.146 0.000 2.383 98 c HA 0.256 4.825 4.570 -0.002 0.000 0.350 98 c C 0.699 174.946 174.090 0.262 0.000 1.173 98 c CA -0.636 55.791 56.329 0.163 0.000 1.645 98 c CB -1.164 41.397 42.510 0.085 0.000 2.221 98 c HN 0.215 nan 8.230 nan 0.000 0.528 99 E N 4.753 125.116 120.200 0.273 0.000 2.191 99 E HA 0.333 4.682 4.350 -0.002 0.000 0.278 99 E C -2.072 174.656 176.600 0.213 0.000 0.972 99 E CA -1.450 55.093 56.400 0.238 0.000 0.804 99 E CB 1.520 31.291 29.700 0.118 0.000 1.110 99 E HN 0.427 nan 8.360 nan 0.000 0.394 100 P HA 0.031 nan 4.420 nan 0.000 0.270 100 P C -0.421 176.754 177.300 -0.207 0.000 1.227 100 P CA 0.365 63.216 63.100 -0.414 0.000 0.788 100 P CB 0.706 32.200 31.700 -0.344 0.000 0.926 101 I N 1.182 121.607 120.570 -0.241 0.000 2.355 101 I HA 0.270 4.439 4.170 -0.002 0.000 0.288 101 I C 0.283 176.331 176.117 -0.116 0.000 0.999 101 I CA -0.462 60.765 61.300 -0.122 0.000 1.163 101 I CB 0.823 38.775 38.000 -0.080 0.000 1.316 101 I HN 0.160 nan 8.210 nan 0.000 0.454 102 L N 3.544 124.719 121.223 -0.080 0.000 2.192 102 L HA 0.554 4.893 4.340 -0.002 0.000 0.250 102 L C -0.529 176.314 176.870 -0.045 0.000 1.114 102 L CA -1.095 53.704 54.840 -0.068 0.000 1.065 102 L CB 0.133 42.151 42.059 -0.069 0.000 1.609 102 L HN 0.268 nan 8.230 nan 0.000 0.495 103 D N 2.012 122.388 120.400 -0.039 0.000 2.877 103 D HA 0.017 4.656 4.640 -0.002 0.000 0.220 103 D C -0.195 176.092 176.300 -0.022 0.000 1.089 103 D CA 1.155 55.138 54.000 -0.028 0.000 0.811 103 D CB -0.386 40.398 40.800 -0.026 0.000 1.162 103 D HN 0.445 nan 8.370 nan 0.000 0.513 104 D N 0.000 120.389 120.400 -0.018 0.000 6.856 104 D HA 0.000 4.639 4.640 -0.002 0.000 0.175 104 D CA 0.000 53.992 54.000 -0.013 0.000 0.868 104 D CB 0.000 40.793 40.800 -0.011 0.000 0.688 104 D HN 0.000 nan 8.370 nan 0.000 0.683