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 3eht_1_A DATA FIRST_RESID -348 DATA SEQUENCE KIEEGKLVIW INGDKGYNGL AEVGKKFEKD TGIKVTVEHP DKLEEKFPQV DATA SEQUENCE AATGDGPDII FWAHDRFGGY AQSGLLAEIT PDKAFQDKLY PETWDAVRYN 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 EFSLQDQHcE SLSLASNISG LQcNASVDLI DATA SEQUENCE GTcWPRSPAG QLVVRPcPAF FYGVRYNTTN NGYREcLANG SWAARVNYSE DATA SEQUENCE cQ 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 -348 K HA 0.000 nan 4.320 nan 0.000 0.191 -348 K C 0.000 176.579 176.600 -0.036 0.000 0.988 -348 K CA 0.000 56.268 56.287 -0.032 0.000 0.838 -348 K CB 0.000 32.484 32.500 -0.027 0.000 1.064 -347 I N -1.165 119.377 120.570 -0.047 0.000 2.359 -347 I HA 0.447 4.618 4.170 0.002 0.000 0.284 -347 I C 0.283 176.376 176.117 -0.041 0.000 1.018 -347 I CA -0.594 60.674 61.300 -0.053 0.000 1.173 -347 I CB 1.039 38.989 38.000 -0.083 0.000 1.326 -347 I HN -0.151 nan 8.210 nan 0.000 0.462 -346 E N 4.366 124.548 120.200 -0.030 0.000 2.405 -346 E HA 0.270 4.621 4.350 0.002 0.000 0.253 -346 E C -0.681 175.907 176.600 -0.020 0.000 1.257 -346 E CA -0.201 56.185 56.400 -0.022 0.000 0.960 -346 E CB 1.030 30.720 29.700 -0.016 0.000 1.077 -346 E HN 0.739 nan 8.360 nan 0.000 0.512 -345 E N -1.642 118.549 120.200 -0.014 0.000 2.222 -345 E HA 0.419 4.770 4.350 0.002 0.000 0.267 -345 E C 0.099 176.695 176.600 -0.007 0.000 0.963 -345 E CA 0.018 56.412 56.400 -0.009 0.000 0.837 -345 E CB 1.126 30.822 29.700 -0.007 0.000 1.183 -345 E HN 0.600 nan 8.360 nan 0.000 0.403 -344 G N 2.448 111.247 108.800 -0.001 0.000 2.155 -344 G HA2 -0.304 3.657 3.960 0.002 0.000 0.257 -344 G HA3 -0.304 3.657 3.960 0.002 0.000 0.257 -344 G C -0.313 174.585 174.900 -0.004 0.000 0.983 -344 G CA 1.083 46.182 45.100 -0.002 0.000 0.676 -344 G HN 0.515 nan 8.290 nan 0.000 0.528 -343 K N -0.867 119.532 120.400 -0.001 0.000 2.498 -343 K HA 0.789 5.111 4.320 0.002 0.000 0.254 -343 K C -0.882 175.713 176.600 -0.009 0.000 0.933 -343 K CA -1.324 54.961 56.287 -0.003 0.000 0.806 -343 K CB 1.901 34.396 32.500 -0.009 0.000 1.301 -343 K HN 0.105 nan 8.250 nan 0.000 0.432 -342 L N 2.666 123.878 121.223 -0.018 0.000 2.296 -342 L HA 0.464 4.805 4.340 0.002 0.000 0.286 -342 L C -0.979 175.845 176.870 -0.077 0.000 1.023 -342 L CA -1.263 53.532 54.840 -0.075 0.000 0.812 -342 L CB 1.957 43.915 42.059 -0.168 0.000 1.223 -342 L HN 0.446 nan 8.230 nan 0.000 0.421 -341 V N 5.411 125.284 119.914 -0.067 0.000 2.378 -341 V HA 0.461 4.583 4.120 0.002 0.000 0.288 -341 V C 0.018 176.100 176.094 -0.019 0.000 1.016 -341 V CA -0.338 61.950 62.300 -0.021 0.000 0.840 -341 V CB 1.822 33.634 31.823 -0.018 0.000 0.994 -341 V HN 0.515 nan 8.190 nan 0.000 0.431 -340 I N 3.803 124.427 120.570 0.090 0.000 2.493 -340 I HA 0.480 4.651 4.170 0.002 0.000 0.298 -340 I C -1.087 175.302 176.117 0.452 0.000 0.998 -340 I CA -0.372 61.043 61.300 0.192 0.000 1.137 -340 I CB 2.126 40.225 38.000 0.165 0.000 1.310 -340 I HN 0.506 nan 8.210 nan 0.000 0.445 -339 W N 7.191 128.579 121.300 0.147 0.000 2.362 -339 W HA 0.615 5.276 4.660 0.002 0.000 0.316 -339 W C -0.482 176.164 176.519 0.211 0.000 1.024 -339 W CA -0.877 56.542 57.345 0.124 0.000 1.270 -339 W CB 1.210 30.710 29.460 0.067 0.000 1.273 -339 W HN 0.186 nan 8.180 nan 0.000 0.424 -338 I N 3.225 123.982 120.570 0.312 0.000 2.846 -338 I HA 0.384 4.555 4.170 0.002 0.000 0.307 -338 I C 0.319 176.516 176.117 0.134 0.000 1.053 -338 I CA -0.896 60.542 61.300 0.230 0.000 1.050 -338 I CB 1.478 39.493 38.000 0.025 0.000 1.239 -338 I HN 0.231 nan 8.210 nan 0.000 0.439 -337 N N 3.054 121.824 118.700 0.116 0.000 2.381 -337 N HA 0.111 4.852 4.740 0.002 0.000 0.241 -337 N C 0.895 176.329 175.510 -0.127 0.000 1.279 -337 N CA 1.046 54.108 53.050 0.019 0.000 0.896 -337 N CB 1.458 39.833 38.487 -0.188 0.000 1.118 -337 N HN 0.750 nan 8.380 nan 0.000 0.438 -336 G N 1.158 109.860 108.800 -0.164 0.000 2.418 -336 G HA2 -0.280 3.681 3.960 0.002 0.000 0.217 -336 G HA3 -0.280 3.681 3.960 0.002 0.000 0.217 -336 G C 0.789 175.564 174.900 -0.208 0.000 1.158 -336 G CA 1.226 46.168 45.100 -0.264 0.000 0.771 -336 G HN 0.847 nan 8.290 nan 0.000 0.545 -335 D N -0.003 120.243 120.400 -0.257 0.000 2.348 -335 D HA 0.028 4.669 4.640 0.002 0.000 0.216 -335 D C 1.204 177.436 176.300 -0.114 0.000 0.970 -335 D CA 0.400 54.272 54.000 -0.214 0.000 0.889 -335 D CB 0.138 40.667 40.800 -0.452 0.000 0.912 -335 D HN 0.096 nan 8.370 nan 0.000 0.524 -334 K N 0.318 120.634 120.400 -0.140 0.000 2.155 -334 K HA 0.408 4.730 4.320 0.002 0.000 0.237 -334 K C 0.957 177.590 176.600 0.055 0.000 1.040 -334 K CA -0.264 55.990 56.287 -0.055 0.000 0.912 -334 K CB 0.244 32.671 32.500 -0.122 0.000 1.137 -334 K HN 0.107 nan 8.250 nan 0.000 0.498 -333 G N 1.710 110.507 108.800 -0.005 0.000 3.101 -333 G HA2 0.138 4.099 3.960 0.002 0.000 0.272 -333 G HA3 0.138 4.099 3.960 0.002 0.000 0.272 -333 G C 0.748 175.592 174.900 -0.093 0.000 0.801 -333 G CA -0.219 44.837 45.100 -0.073 0.000 1.978 -333 G HN 0.617 nan 8.290 nan 0.000 0.591 -332 Y N -0.377 119.837 120.300 -0.144 0.000 2.395 -332 Y HA 0.003 4.555 4.550 0.002 0.000 0.293 -332 Y C 2.052 177.907 175.900 -0.075 0.000 1.123 -332 Y CA 0.892 58.914 58.100 -0.130 0.000 1.227 -332 Y CB -0.263 38.101 38.460 -0.160 0.000 1.012 -332 Y HN 0.379 nan 8.280 nan 0.000 0.552 -331 N N 0.765 119.128 118.700 -0.561 0.000 2.216 -331 N HA -0.031 4.710 4.740 0.002 0.000 0.183 -331 N C 2.138 177.557 175.510 -0.152 0.000 1.017 -331 N CA 0.883 53.727 53.050 -0.343 0.000 0.861 -331 N CB -0.369 37.859 38.487 -0.431 0.000 0.986 -331 N HN 0.528 nan 8.380 nan 0.000 0.428 -330 G N 1.003 109.718 108.800 -0.142 0.000 2.422 -330 G HA2 -0.172 3.789 3.960 0.002 0.000 0.218 -330 G HA3 -0.172 3.789 3.960 0.002 0.000 0.218 -330 G C 1.436 176.318 174.900 -0.030 0.000 1.140 -330 G CA 0.253 45.313 45.100 -0.067 0.000 0.775 -330 G HN 0.134 nan 8.290 nan 0.000 0.545 -329 L N 1.199 122.399 121.223 -0.037 0.000 2.141 -329 L HA 0.268 4.609 4.340 0.002 0.000 0.209 -329 L C 2.970 179.884 176.870 0.074 0.000 1.094 -329 L CA 1.812 56.660 54.840 0.012 0.000 0.763 -329 L CB -0.468 41.557 42.059 -0.057 0.000 0.908 -329 L HN 0.205 nan 8.230 nan 0.000 0.437 -328 A N -0.934 121.913 122.820 0.046 0.000 1.969 -328 A HA -0.188 4.133 4.320 0.002 0.000 0.218 -328 A C 2.149 179.772 177.584 0.065 0.000 1.169 -328 A CA 1.613 53.687 52.037 0.062 0.000 0.635 -328 A CB -0.500 18.533 19.000 0.055 0.000 0.810 -328 A HN 0.585 nan 8.150 nan 0.000 0.445 -327 E N -0.369 119.859 120.200 0.047 0.000 2.150 -327 E HA -0.091 4.260 4.350 0.002 0.000 0.193 -327 E C 1.832 178.489 176.600 0.094 0.000 0.985 -327 E CA 1.123 57.556 56.400 0.054 0.000 0.814 -327 E CB -0.152 29.565 29.700 0.028 0.000 0.752 -327 E HN 0.427 nan 8.360 nan 0.000 0.466 -326 V N 0.607 120.593 119.914 0.120 0.000 2.548 -326 V HA -0.130 3.991 4.120 0.002 0.000 0.249 -326 V C 2.285 178.559 176.094 0.299 0.000 1.055 -326 V CA 1.750 64.165 62.300 0.192 0.000 1.065 -326 V CB -0.715 31.211 31.823 0.171 0.000 0.681 -326 V HN 0.378 nan 8.190 nan 0.000 0.462 -325 G N -0.548 108.397 108.800 0.240 0.000 2.422 -325 G HA2 -0.256 3.705 3.960 0.002 0.000 0.218 -325 G HA3 -0.256 3.705 3.960 0.002 0.000 0.218 -325 G C 1.669 176.663 174.900 0.156 0.000 1.146 -325 G CA 0.818 46.027 45.100 0.183 0.000 0.769 -325 G HN 0.449 nan 8.290 nan 0.000 0.547 -324 K N 0.135 120.606 120.400 0.118 0.000 2.103 -324 K HA -0.025 4.296 4.320 0.002 0.000 0.204 -324 K C 2.443 179.098 176.600 0.092 0.000 1.052 -324 K CA 1.159 57.495 56.287 0.082 0.000 0.945 -324 K CB -0.027 32.510 32.500 0.062 0.000 0.722 -324 K HN 0.171 nan 8.250 nan 0.000 0.443 -323 K N 0.429 120.912 120.400 0.138 0.000 2.057 -323 K HA -0.164 4.157 4.320 0.002 0.000 0.207 -323 K C 1.745 178.453 176.600 0.180 0.000 1.049 -323 K CA 1.390 57.777 56.287 0.168 0.000 0.931 -323 K CB -0.430 32.199 32.500 0.215 0.000 0.714 -323 K HN 0.086 nan 8.250 nan 0.000 0.440 -322 F N 1.445 121.380 119.950 -0.025 0.000 2.259 -322 F HA 0.025 4.554 4.527 0.002 0.000 0.298 -322 F C 2.018 177.730 175.800 -0.148 0.000 1.088 -322 F CA 1.493 59.334 58.000 -0.266 0.000 1.358 -322 F CB -0.234 38.583 39.000 -0.306 0.000 1.040 -322 F HN 0.262 nan 8.300 nan 0.000 0.505 -321 E N 0.630 120.771 120.200 -0.097 0.000 2.038 -321 E HA -0.252 4.100 4.350 0.002 0.000 0.195 -321 E C 1.117 177.608 176.600 -0.181 0.000 1.000 -321 E CA 1.252 57.556 56.400 -0.159 0.000 0.803 -321 E CB -0.187 29.489 29.700 -0.040 0.000 0.750 -321 E HN 0.218 nan 8.360 nan 0.000 0.448 -320 K N 0.053 120.396 120.400 -0.095 0.000 3.127 -320 K HA 0.045 4.367 4.320 0.002 0.000 0.236 -320 K C -0.733 175.838 176.600 -0.049 0.000 1.271 -320 K CA -0.065 56.180 56.287 -0.070 0.000 1.224 -320 K CB 0.395 32.880 32.500 -0.026 0.000 1.482 -320 K HN 0.080 nan 8.250 nan 0.000 0.435 -319 D N -1.820 118.513 120.400 -0.112 0.000 2.434 -319 D HA -0.041 4.600 4.640 0.002 0.000 0.288 -319 D C 1.519 177.764 176.300 -0.091 0.000 1.083 -319 D CA 0.908 54.892 54.000 -0.026 0.000 0.903 -319 D CB 0.827 41.716 40.800 0.149 0.000 1.476 -319 D HN 0.378 nan 8.370 nan 0.000 0.502 -318 T N -3.316 111.059 114.554 -0.299 0.000 3.087 -318 T HA 0.412 4.763 4.350 0.002 0.000 0.237 -318 T C 1.527 176.094 174.700 -0.223 0.000 0.990 -318 T CA 0.851 62.791 62.100 -0.267 0.000 1.160 -318 T CB 1.133 69.743 68.868 -0.430 0.000 0.923 -318 T HN 0.132 nan 8.240 nan 0.000 0.442 -317 G N 1.383 110.006 108.800 -0.295 0.000 2.188 -317 G HA2 0.059 4.020 3.960 0.002 0.000 0.112 -317 G HA3 0.059 4.020 3.960 0.002 0.000 0.112 -317 G C -0.421 174.366 174.900 -0.189 0.000 1.048 -317 G CA -0.429 44.559 45.100 -0.187 0.000 0.720 -317 G HN 0.486 nan 8.290 nan 0.000 0.487 -316 I N 0.785 121.178 120.570 -0.295 0.000 2.406 -316 I HA 0.363 4.534 4.170 0.002 0.000 0.290 -316 I C 0.445 176.496 176.117 -0.110 0.000 0.999 -316 I CA -1.099 60.091 61.300 -0.184 0.000 1.124 -316 I CB 1.623 39.533 38.000 -0.150 0.000 1.289 -316 I HN 0.010 nan 8.210 nan 0.000 0.441 -315 K N 4.796 125.168 120.400 -0.045 0.000 2.363 -315 K HA 0.320 4.641 4.320 0.002 0.000 0.289 -315 K C -0.691 175.910 176.600 0.002 0.000 1.063 -315 K CA -0.122 56.154 56.287 -0.019 0.000 0.967 -315 K CB 0.724 33.215 32.500 -0.014 0.000 0.987 -315 K HN 0.297 nan 8.250 nan 0.000 0.473 -314 V N 3.273 123.195 119.914 0.012 0.000 2.357 -314 V HA 0.200 4.321 4.120 0.002 0.000 0.284 -314 V C 0.131 176.219 176.094 -0.010 0.000 1.018 -314 V CA -0.618 61.667 62.300 -0.025 0.000 0.841 -314 V CB 1.485 33.277 31.823 -0.053 0.000 0.991 -314 V HN 0.735 nan 8.190 nan 0.000 0.437 -313 T N 4.676 119.228 114.554 -0.004 0.000 2.861 -313 T HA 0.667 5.018 4.350 0.002 0.000 0.287 -313 T C -0.990 173.756 174.700 0.077 0.000 1.003 -313 T CA -0.377 61.748 62.100 0.042 0.000 0.977 -313 T CB 1.536 70.435 68.868 0.052 0.000 0.996 -313 T HN 0.319 nan 8.240 nan 0.000 0.448 -312 V N 5.441 125.422 119.914 0.112 0.000 2.398 -312 V HA 0.533 4.654 4.120 0.002 0.000 0.286 -312 V C 0.085 176.291 176.094 0.187 0.000 1.026 -312 V CA -0.702 61.696 62.300 0.163 0.000 0.868 -312 V CB 1.391 33.312 31.823 0.163 0.000 0.982 -312 V HN 0.895 nan 8.190 nan 0.000 0.443 -311 E N 2.795 123.113 120.200 0.196 0.000 2.227 -311 E HA 0.569 4.920 4.350 0.002 0.000 0.268 -311 E C -1.125 175.414 176.600 -0.102 0.000 0.907 -311 E CA -0.778 55.629 56.400 0.012 0.000 0.786 -311 E CB 2.135 31.804 29.700 -0.051 0.000 1.191 -311 E HN 1.000 nan 8.360 nan 0.000 0.411 -310 H N -0.407 118.452 119.070 -0.351 0.000 2.569 -310 H HA 0.378 4.935 4.556 0.002 0.000 0.247 -310 H C -2.708 172.368 175.328 -0.420 0.000 1.346 -310 H CA -2.093 53.706 56.048 -0.414 0.000 1.502 -310 H CB 0.078 29.489 29.762 -0.585 0.000 1.512 -310 H HN 0.182 nan 8.280 nan 0.000 0.502 -309 P HA 0.208 nan 4.420 nan 0.000 0.281 -309 P C -0.431 176.669 177.300 -0.333 0.000 1.264 -309 P CA -0.540 62.246 63.100 -0.523 0.000 0.824 -309 P CB 1.477 32.725 31.700 -0.753 0.000 1.092 -308 D N 0.542 120.787 120.400 -0.259 0.000 2.357 -308 D HA 0.034 4.676 4.640 0.002 0.000 0.242 -308 D C 0.468 176.671 176.300 -0.163 0.000 1.153 -308 D CA -0.024 53.876 54.000 -0.168 0.000 0.918 -308 D CB 0.170 40.892 40.800 -0.130 0.000 1.181 -308 D HN 0.335 nan 8.370 nan 0.000 0.435 -307 K N 0.328 120.658 120.400 -0.118 0.000 3.213 -307 K HA -0.235 4.086 4.320 0.002 0.000 0.266 -307 K C 1.062 177.551 176.600 -0.185 0.000 0.911 -307 K CA -0.112 56.099 56.287 -0.128 0.000 0.684 -307 K CB -1.062 31.381 32.500 -0.096 0.000 1.402 -307 K HN 0.344 nan 8.250 nan 0.000 0.465 -306 L N 1.574 122.666 121.223 -0.218 0.000 2.127 -306 L HA -0.199 4.142 4.340 0.002 0.000 0.211 -306 L C 2.391 179.087 176.870 -0.290 0.000 1.089 -306 L CA 2.314 57.017 54.840 -0.228 0.000 0.757 -306 L CB -0.223 41.751 42.059 -0.143 0.000 0.899 -306 L HN 0.391 nan 8.230 nan 0.000 0.434 -305 E N -0.605 119.224 120.200 -0.619 0.000 2.482 -305 E HA -0.193 4.158 4.350 0.002 0.000 0.196 -305 E C 1.347 177.788 176.600 -0.265 0.000 1.047 -305 E CA 1.200 57.150 56.400 -0.750 0.000 0.869 -305 E CB -0.093 28.692 29.700 -1.525 0.000 0.836 -305 E HN 0.754 nan 8.360 nan 0.000 0.520 -304 E N -0.191 119.899 120.200 -0.183 0.000 2.453 -304 E HA 0.072 4.424 4.350 0.002 0.000 0.211 -304 E C 1.554 178.117 176.600 -0.062 0.000 0.897 -304 E CA -0.046 56.301 56.400 -0.089 0.000 1.063 -304 E CB 0.436 30.084 29.700 -0.086 0.000 1.080 -304 E HN -0.041 nan 8.360 nan 0.000 0.512 -303 K N 0.814 121.187 120.400 -0.045 0.000 2.002 -303 K HA -0.133 4.188 4.320 0.002 0.000 0.209 -303 K C 1.654 178.315 176.600 0.101 0.000 1.048 -303 K CA 1.192 57.492 56.287 0.022 0.000 0.930 -303 K CB -0.350 32.154 32.500 0.005 0.000 0.714 -303 K HN 0.061 nan 8.250 nan 0.000 0.438 -302 F N 2.507 122.451 119.950 -0.010 0.000 2.065 -302 F HA -0.097 4.431 4.527 0.002 0.000 0.298 -302 F C -1.154 174.469 175.800 -0.296 0.000 1.112 -302 F CA 1.190 59.118 58.000 -0.121 0.000 1.212 -302 F CB -0.958 37.889 39.000 -0.254 0.000 0.975 -302 F HN 0.130 nan 8.300 nan 0.000 0.476 -301 P HA -0.120 nan 4.420 nan 0.000 0.239 -301 P C 0.583 177.683 177.300 -0.333 0.000 1.184 -301 P CA 1.360 64.146 63.100 -0.523 0.000 0.760 -301 P CB -0.066 31.494 31.700 -0.235 0.000 0.884 -300 Q N -0.628 119.021 119.800 -0.252 0.000 2.481 -300 Q HA 0.004 4.345 4.340 0.002 0.000 0.219 -300 Q C 2.231 178.128 176.000 -0.173 0.000 0.920 -300 Q CA 0.764 56.466 55.803 -0.168 0.000 0.915 -300 Q CB -0.123 28.556 28.738 -0.098 0.000 1.057 -300 Q HN 0.145 nan 8.270 nan 0.000 0.581 -299 V N -1.555 118.261 119.914 -0.162 0.000 2.407 -299 V HA 0.052 4.174 4.120 0.002 0.000 0.245 -299 V C 2.122 178.064 176.094 -0.254 0.000 1.041 -299 V CA 1.527 63.744 62.300 -0.139 0.000 1.040 -299 V CB -1.050 30.767 31.823 -0.010 0.000 0.671 -299 V HN 0.225 nan 8.190 nan 0.000 0.455 -298 A N 0.739 123.285 122.820 -0.457 0.000 1.968 -298 A HA 0.209 4.531 4.320 0.002 0.000 0.217 -298 A C 2.436 179.768 177.584 -0.419 0.000 1.169 -298 A CA 1.796 53.503 52.037 -0.550 0.000 0.638 -298 A CB -0.951 17.394 19.000 -1.092 0.000 0.812 -298 A HN 0.936 nan 8.150 nan 0.000 0.446 -297 A N -0.015 122.567 122.820 -0.398 0.000 2.024 -297 A HA -0.060 4.261 4.320 0.002 0.000 0.220 -297 A C 1.782 179.258 177.584 -0.180 0.000 1.164 -297 A CA 1.921 53.800 52.037 -0.264 0.000 0.643 -297 A CB -1.042 17.823 19.000 -0.226 0.000 0.806 -297 A HN 0.770 nan 8.150 nan 0.000 0.451 -296 T N -4.196 110.257 114.554 -0.168 0.000 3.213 -296 T HA 0.481 4.832 4.350 0.002 0.000 0.240 -296 T C 1.095 175.724 174.700 -0.120 0.000 1.033 -296 T CA 0.572 62.599 62.100 -0.121 0.000 1.087 -296 T CB -0.117 68.693 68.868 -0.096 0.000 1.119 -296 T HN 1.537 nan 8.240 nan 0.000 0.571 -295 G N 1.503 110.222 108.800 -0.135 0.000 2.196 -295 G HA2 -0.246 3.716 3.960 0.002 0.000 0.268 -295 G HA3 -0.246 3.716 3.960 0.002 0.000 0.268 -295 G C 0.022 174.847 174.900 -0.125 0.000 0.975 -295 G CA 0.313 45.342 45.100 -0.117 0.000 0.648 -295 G HN 0.607 nan 8.290 nan 0.000 0.538 -294 D N 0.926 121.239 120.400 -0.146 0.000 2.634 -294 D HA 0.512 5.153 4.640 0.002 0.000 0.318 -294 D C 0.929 177.115 176.300 -0.191 0.000 1.226 -294 D CA 0.675 54.593 54.000 -0.136 0.000 0.899 -294 D CB 0.237 40.983 40.800 -0.091 0.000 1.025 -294 D HN 0.438 nan 8.370 nan 0.000 0.501 -293 G N 0.938 109.583 108.800 -0.258 0.000 2.857 -293 G HA2 0.598 4.559 3.960 0.002 0.000 0.217 -293 G HA3 0.598 4.559 3.960 0.002 0.000 0.217 -293 G C -2.569 172.038 174.900 -0.489 0.000 1.357 -293 G CA -0.916 43.948 45.100 -0.394 0.000 1.033 -293 G HN 0.027 nan 8.290 nan 0.000 0.571 -292 P HA 0.298 nan 4.420 nan 0.000 0.281 -292 P C -0.341 176.790 177.300 -0.281 0.000 1.281 -292 P CA -0.399 62.300 63.100 -0.669 0.000 0.811 -292 P CB 1.905 32.881 31.700 -1.206 0.000 1.154 -291 D N -0.251 120.035 120.400 -0.190 0.000 2.091 -291 D HA 0.039 4.680 4.640 0.002 0.000 0.199 -291 D C 0.793 177.061 176.300 -0.055 0.000 0.980 -291 D CA 1.527 55.472 54.000 -0.091 0.000 0.831 -291 D CB 0.084 40.838 40.800 -0.077 0.000 0.987 -291 D HN 0.350 nan 8.370 nan 0.000 0.460 -290 I N 0.562 121.102 120.570 -0.051 0.000 2.530 -290 I HA 0.375 4.546 4.170 0.002 0.000 0.297 -290 I C -0.501 175.627 176.117 0.018 0.000 1.011 -290 I CA -0.914 60.384 61.300 -0.003 0.000 1.107 -290 I CB 2.945 40.995 38.000 0.083 0.000 1.285 -290 I HN -0.195 nan 8.210 nan 0.000 0.436 -289 I N 4.683 125.220 120.570 -0.054 0.000 2.545 -289 I HA 0.480 4.651 4.170 0.002 0.000 0.292 -289 I C -1.643 174.545 176.117 0.120 0.000 1.040 -289 I CA -0.303 60.999 61.300 0.003 0.000 1.068 -289 I CB 1.600 39.301 38.000 -0.499 0.000 1.251 -289 I HN 0.327 nan 8.210 nan 0.000 0.424 -288 F N 7.796 127.907 119.950 0.268 0.000 2.382 -288 F HA 0.477 5.005 4.527 0.002 0.000 0.361 -288 F C -0.607 175.448 175.800 0.425 0.000 1.109 -288 F CA -0.188 58.009 58.000 0.329 0.000 1.031 -288 F CB 1.005 40.130 39.000 0.210 0.000 1.234 -288 F HN 0.407 nan 8.300 nan 0.000 0.445 -287 W N 2.200 123.728 121.300 0.380 0.000 3.018 -287 W HA 0.715 5.376 4.660 0.002 0.000 0.352 -287 W C -1.088 175.630 176.519 0.332 0.000 1.230 -287 W CA -1.290 56.167 57.345 0.187 0.000 1.162 -287 W CB 1.856 31.236 29.460 -0.132 0.000 1.483 -287 W HN 0.473 nan 8.180 nan 0.000 0.584 -286 A N 1.880 124.558 122.820 -0.237 0.000 2.483 -286 A HA -0.000 4.321 4.320 0.002 0.000 0.238 -286 A C 1.325 179.152 177.584 0.405 0.000 1.070 -286 A CA 0.659 52.713 52.037 0.029 0.000 0.770 -286 A CB -0.117 18.736 19.000 -0.244 0.000 1.008 -286 A HN 0.759 nan 8.150 nan 0.000 0.497 -285 H N 1.445 120.688 119.070 0.288 0.000 2.518 -285 H HA -0.161 4.396 4.556 0.002 0.000 0.292 -285 H C 1.064 176.588 175.328 0.327 0.000 1.068 -285 H CA 1.607 57.863 56.048 0.348 0.000 1.275 -285 H CB -0.330 29.525 29.762 0.154 0.000 1.375 -285 H HN 0.843 nan 8.280 nan 0.000 0.563 -284 D N 1.006 121.201 120.400 -0.342 0.000 2.149 -284 D HA -0.143 4.499 4.640 0.002 0.000 0.201 -284 D C 1.911 178.119 176.300 -0.153 0.000 0.972 -284 D CA 0.232 54.041 54.000 -0.318 0.000 0.835 -284 D CB -0.205 40.448 40.800 -0.245 0.000 0.966 -284 D HN 0.185 nan 8.370 nan 0.000 0.476 -283 R N -0.055 120.344 120.500 -0.168 0.000 2.115 -283 R HA -0.017 4.324 4.340 0.002 0.000 0.230 -283 R C 2.331 178.074 176.300 -0.928 0.000 1.111 -283 R CA 0.384 56.148 56.100 -0.560 0.000 0.976 -283 R CB -0.867 28.984 30.300 -0.748 0.000 0.870 -283 R HN 0.321 nan 8.270 nan 0.000 0.445 -282 F N 0.098 119.783 119.950 -0.442 0.000 2.216 -282 F HA -0.087 4.441 4.527 0.002 0.000 0.300 -282 F C 2.570 178.200 175.800 -0.283 0.000 1.085 -282 F CA 1.279 59.099 58.000 -0.300 0.000 1.326 -282 F CB -0.702 38.277 39.000 -0.034 0.000 1.027 -282 F HN 0.156 nan 8.300 nan 0.000 0.497 -281 G N -0.009 108.730 108.800 -0.100 0.000 2.446 -281 G HA2 -0.223 3.738 3.960 0.002 0.000 0.217 -281 G HA3 -0.223 3.738 3.960 0.002 0.000 0.217 -281 G C 2.035 176.636 174.900 -0.499 0.000 1.168 -281 G CA 0.932 45.860 45.100 -0.288 0.000 0.771 -281 G HN 0.492 nan 8.290 nan 0.000 0.551 -280 G N 0.105 108.713 108.800 -0.319 0.000 2.459 -280 G HA2 -0.240 3.721 3.960 0.002 0.000 0.217 -280 G HA3 -0.240 3.721 3.960 0.002 0.000 0.217 -280 G C 1.643 176.480 174.900 -0.106 0.000 1.183 -280 G CA 1.229 46.195 45.100 -0.224 0.000 0.776 -280 G HN 0.387 nan 8.290 nan 0.000 0.552 -279 Y N 1.424 121.654 120.300 -0.118 0.000 2.128 -279 Y HA -0.006 4.546 4.550 0.003 0.000 0.284 -279 Y C 3.214 179.068 175.900 -0.077 0.000 1.154 -279 Y CA 0.152 58.224 58.100 -0.046 0.000 1.149 -279 Y CB -1.404 37.111 38.460 0.092 0.000 0.976 -279 Y HN 0.278 nan 8.280 nan 0.000 0.505 -278 A N 0.067 122.891 122.820 0.005 0.000 1.903 -278 A HA -0.361 3.960 4.320 0.002 0.000 0.219 -278 A C 2.321 179.834 177.584 -0.117 0.000 1.191 -278 A CA 2.331 54.307 52.037 -0.102 0.000 0.638 -278 A CB -1.085 17.712 19.000 -0.340 0.000 0.823 -278 A HN 0.577 nan 8.150 nan 0.000 0.451 -277 Q N -0.530 119.118 119.800 -0.254 0.000 2.061 -277 Q HA -0.153 4.188 4.340 0.002 0.000 0.204 -277 Q C 2.066 178.075 176.000 0.014 0.000 0.984 -277 Q CA 1.830 57.612 55.803 -0.036 0.000 0.846 -277 Q CB -0.162 28.564 28.738 -0.020 0.000 0.902 -277 Q HN 0.615 nan 8.270 nan 0.000 0.421 -276 S N -0.755 114.943 115.700 -0.002 0.000 2.547 -276 S HA 0.023 4.494 4.470 0.002 0.000 0.235 -276 S C 1.020 175.616 174.600 -0.007 0.000 0.980 -276 S CA 0.663 58.860 58.200 -0.006 0.000 0.941 -276 S CB -0.074 63.114 63.200 -0.020 0.000 0.763 -276 S HN 0.724 nan 8.310 nan 0.000 0.532 -275 G N 1.304 110.115 108.800 0.018 0.000 2.198 -275 G HA2 -0.280 3.681 3.960 0.002 0.000 0.260 -275 G HA3 -0.280 3.681 3.960 0.002 0.000 0.260 -275 G C 0.570 175.475 174.900 0.009 0.000 1.025 -275 G CA 0.595 45.711 45.100 0.026 0.000 0.769 -275 G HN 0.537 nan 8.290 nan 0.000 0.507 -274 L N -1.366 119.860 121.223 0.005 0.000 2.217 -274 L HA 0.261 4.602 4.340 0.002 0.000 0.211 -274 L C 1.614 178.542 176.870 0.096 0.000 1.107 -274 L CA 0.575 55.388 54.840 -0.045 0.000 0.783 -274 L CB -0.215 41.725 42.059 -0.197 0.000 0.919 -274 L HN 0.241 nan 8.230 nan 0.000 0.442 -273 L N 0.582 121.909 121.223 0.174 0.000 2.289 -273 L HA 0.507 4.848 4.340 0.002 0.000 0.285 -273 L C 0.423 177.369 176.870 0.127 0.000 1.049 -273 L CA -0.575 54.390 54.840 0.209 0.000 0.804 -273 L CB 1.257 43.483 42.059 0.279 0.000 1.195 -273 L HN -0.039 nan 8.230 nan 0.000 0.428 -272 A N 2.320 125.204 122.820 0.107 0.000 2.388 -272 A HA 0.379 4.700 4.320 0.002 0.000 0.257 -272 A C -0.044 177.583 177.584 0.071 0.000 1.095 -272 A CA -0.480 51.602 52.037 0.074 0.000 0.791 -272 A CB 0.279 19.317 19.000 0.062 0.000 1.029 -272 A HN 0.783 nan 8.150 nan 0.000 0.489 -271 E N 1.493 121.726 120.200 0.054 0.000 2.290 -271 E HA 0.394 4.745 4.350 0.002 0.000 0.277 -271 E C -0.425 176.184 176.600 0.015 0.000 1.035 -271 E CA -0.291 56.132 56.400 0.038 0.000 0.873 -271 E CB 0.237 29.960 29.700 0.037 0.000 1.029 -271 E HN 0.557 nan 8.360 nan 0.000 0.419 -270 I N 0.928 121.487 120.570 -0.019 0.000 2.353 -270 I HA 0.456 4.627 4.170 0.002 0.000 0.293 -270 I C -0.502 175.559 176.117 -0.094 0.000 0.992 -270 I CA -0.725 60.546 61.300 -0.049 0.000 1.268 -270 I CB 1.855 39.771 38.000 -0.141 0.000 1.387 -270 I HN 0.500 nan 8.210 nan 0.000 0.478 -269 T N 3.424 117.943 114.554 -0.058 0.000 3.155 -269 T HA 0.543 4.894 4.350 0.002 0.000 0.384 -269 T C -2.428 172.235 174.700 -0.062 0.000 1.351 -269 T CA -1.361 60.692 62.100 -0.078 0.000 1.198 -269 T CB 0.232 69.070 68.868 -0.049 0.000 1.106 -269 T HN 0.494 nan 8.240 nan 0.000 0.564 -268 P HA 0.324 nan 4.420 nan 0.000 0.284 -268 P C -0.199 177.089 177.300 -0.020 0.000 1.253 -268 P CA -0.536 62.550 63.100 -0.023 0.000 0.800 -268 P CB 0.767 32.528 31.700 0.101 0.000 0.961 -267 D N 1.567 121.984 120.400 0.027 0.000 2.400 -267 D HA -0.061 4.581 4.640 0.002 0.000 0.238 -267 D C 0.779 177.101 176.300 0.037 0.000 1.157 -267 D CA -0.148 53.866 54.000 0.023 0.000 0.889 -267 D CB 1.120 41.944 40.800 0.040 0.000 1.199 -267 D HN 0.277 nan 8.370 nan 0.000 0.436 -266 K N 1.001 121.394 120.400 -0.012 0.000 2.281 -266 K HA -0.157 4.164 4.320 0.002 0.000 0.203 -266 K C 1.765 178.374 176.600 0.015 0.000 1.046 -266 K CA 1.102 57.367 56.287 -0.036 0.000 0.938 -266 K CB -0.237 32.234 32.500 -0.048 0.000 0.737 -266 K HN 0.597 nan 8.250 nan 0.000 0.458 -265 A N 0.202 123.055 122.820 0.055 0.000 2.014 -265 A HA -0.133 4.188 4.320 0.002 0.000 0.218 -265 A C 1.823 179.480 177.584 0.122 0.000 1.163 -265 A CA 0.772 52.852 52.037 0.071 0.000 0.652 -265 A CB -0.479 18.561 19.000 0.067 0.000 0.808 -265 A HN 0.448 nan 8.150 nan 0.000 0.449 -264 F N 0.635 120.611 119.950 0.043 0.000 2.206 -264 F HA -0.108 4.420 4.527 0.002 0.000 0.298 -264 F C 2.281 178.187 175.800 0.178 0.000 1.090 -264 F CA 1.697 59.759 58.000 0.103 0.000 1.323 -264 F CB -0.165 38.917 39.000 0.137 0.000 1.028 -264 F HN 0.267 nan 8.300 nan 0.000 0.492 -263 Q N -0.047 119.838 119.800 0.142 0.000 2.439 -263 Q HA -0.193 4.148 4.340 0.002 0.000 0.211 -263 Q C 1.249 177.339 176.000 0.150 0.000 0.978 -263 Q CA 1.281 57.188 55.803 0.174 0.000 0.897 -263 Q CB -0.238 28.371 28.738 -0.214 0.000 0.956 -263 Q HN 0.420 nan 8.270 nan 0.000 0.483 -262 D N 0.650 121.057 120.400 0.011 0.000 2.183 -262 D HA -0.078 4.563 4.640 0.002 0.000 0.203 -262 D C 1.387 177.627 176.300 -0.099 0.000 0.969 -262 D CA 0.939 54.928 54.000 -0.019 0.000 0.842 -262 D CB 0.136 40.924 40.800 -0.019 0.000 0.957 -262 D HN 0.069 nan 8.370 nan 0.000 0.484 -261 K N -0.469 119.815 120.400 -0.193 0.000 2.147 -261 K HA -0.003 4.319 4.320 0.002 0.000 0.205 -261 K C 0.514 176.930 176.600 -0.308 0.000 1.049 -261 K CA 0.613 56.739 56.287 -0.267 0.000 0.936 -261 K CB 0.156 32.427 32.500 -0.382 0.000 0.722 -261 K HN 0.133 nan 8.250 nan 0.000 0.446 -260 L N 0.441 121.508 121.223 -0.261 0.000 2.344 -260 L HA 0.270 4.611 4.340 0.002 0.000 0.272 -260 L C -0.224 176.540 176.870 -0.176 0.000 1.035 -260 L CA -1.278 53.396 54.840 -0.277 0.000 0.807 -260 L CB 0.516 42.368 42.059 -0.343 0.000 1.237 -260 L HN -0.060 nan 8.230 nan 0.000 0.442 -259 Y N 1.577 121.839 120.300 -0.064 0.000 2.610 -259 Y HA 0.031 4.582 4.550 0.002 0.000 0.332 -259 Y C -1.385 174.548 175.900 0.056 0.000 1.201 -259 Y CA -1.276 56.820 58.100 -0.007 0.000 1.465 -259 Y CB -0.060 38.383 38.460 -0.029 0.000 1.283 -259 Y HN 0.431 nan 8.280 nan 0.000 0.563 -258 P HA -0.169 nan 4.420 nan 0.000 0.216 -258 P C 0.843 178.311 177.300 0.280 0.000 1.150 -258 P CA 1.635 64.926 63.100 0.318 0.000 0.837 -258 P CB 0.339 32.158 31.700 0.199 0.000 0.786 -257 E N -1.089 119.218 120.200 0.178 0.000 2.285 -257 E HA -0.078 4.273 4.350 0.002 0.000 0.194 -257 E C 1.692 178.338 176.600 0.077 0.000 0.997 -257 E CA 1.538 58.005 56.400 0.112 0.000 0.845 -257 E CB -0.547 29.185 29.700 0.053 0.000 0.782 -257 E HN 0.415 nan 8.360 nan 0.000 0.491 -256 T N -2.245 112.328 114.554 0.031 0.000 3.035 -256 T HA -0.119 4.233 4.350 0.002 0.000 0.268 -256 T C 1.463 176.090 174.700 -0.121 0.000 1.109 -256 T CA 0.197 62.246 62.100 -0.086 0.000 1.119 -256 T CB -0.458 68.324 68.868 -0.143 0.000 0.900 -256 T HN 0.262 nan 8.240 nan 0.000 0.503 -255 W N 2.058 123.372 121.300 0.023 0.000 2.436 -255 W HA 0.053 4.714 4.660 0.001 0.000 0.284 -255 W C 1.866 178.393 176.519 0.013 0.000 1.225 -255 W CA 0.208 57.558 57.345 0.008 0.000 1.271 -255 W CB -0.037 29.428 29.460 0.009 0.000 1.114 -255 W HN 0.214 nan 8.180 nan 0.000 0.559 -254 D N 0.159 120.701 120.400 0.237 0.000 2.144 -254 D HA -0.164 4.478 4.640 0.002 0.000 0.199 -254 D C 2.219 178.608 176.300 0.148 0.000 0.984 -254 D CA 1.667 55.769 54.000 0.170 0.000 0.834 -254 D CB -0.946 39.932 40.800 0.129 0.000 0.955 -254 D HN 0.118 nan 8.370 nan 0.000 0.465 -253 A N 0.916 123.779 122.820 0.072 0.000 1.917 -253 A HA -0.175 4.146 4.320 0.002 0.000 0.219 -253 A C 1.989 179.676 177.584 0.173 0.000 1.182 -253 A CA 1.965 54.011 52.037 0.016 0.000 0.633 -253 A CB -0.646 18.194 19.000 -0.265 0.000 0.819 -253 A HN 0.258 nan 8.150 nan 0.000 0.448 -252 V N -2.592 117.398 119.914 0.127 0.000 3.063 -252 V HA 0.458 4.579 4.120 0.002 0.000 0.379 -252 V C 0.228 176.427 176.094 0.175 0.000 1.310 -252 V CA -0.239 62.135 62.300 0.124 0.000 1.333 -252 V CB -1.055 30.767 31.823 -0.001 0.000 1.331 -252 V HN 0.443 nan 8.190 nan 0.000 0.527 -251 R N 0.764 121.390 120.500 0.210 0.000 2.494 -251 R HA 0.581 4.922 4.340 0.002 0.000 0.305 -251 R C -2.066 174.389 176.300 0.258 0.000 0.959 -251 R CA -0.786 55.433 56.100 0.200 0.000 0.864 -251 R CB 1.989 32.384 30.300 0.158 0.000 1.159 -251 R HN 0.478 nan 8.270 nan 0.000 0.446 -250 Y N 4.588 124.942 120.300 0.091 0.000 2.361 -250 Y HA 0.222 4.774 4.550 0.003 0.000 0.328 -250 Y C -0.454 175.482 175.900 0.060 0.000 1.044 -250 Y CA -0.600 57.550 58.100 0.084 0.000 1.085 -250 Y CB 1.359 39.874 38.460 0.092 0.000 1.194 -250 Y HN 0.963 nan 8.280 nan 0.000 0.438 -249 N N 4.215 122.708 118.700 -0.345 0.000 2.725 -249 N HA -0.265 4.476 4.740 0.002 0.000 0.249 -249 N C 0.941 176.418 175.510 -0.055 0.000 1.103 -249 N CA 0.990 53.914 53.050 -0.210 0.000 0.707 -249 N CB -0.893 37.501 38.487 -0.156 0.000 1.043 -249 N HN 1.301 nan 8.380 nan 0.000 0.553 -248 G N -0.532 108.256 108.800 -0.021 0.000 2.245 -248 G HA2 -0.357 3.604 3.960 0.002 0.000 0.264 -248 G HA3 -0.357 3.604 3.960 0.002 0.000 0.264 -248 G C 0.016 174.931 174.900 0.024 0.000 0.985 -248 G CA 0.908 46.011 45.100 0.005 0.000 0.625 -248 G HN 0.367 nan 8.290 nan 0.000 0.536 -247 K N 0.936 121.369 120.400 0.055 0.000 2.276 -247 K HA 0.490 4.812 4.320 0.002 0.000 0.283 -247 K C 0.575 177.222 176.600 0.078 0.000 1.044 -247 K CA -0.460 55.864 56.287 0.062 0.000 0.944 -247 K CB 1.476 34.032 32.500 0.093 0.000 1.012 -247 K HN 0.321 nan 8.250 nan 0.000 0.472 -246 L N 4.622 125.862 121.223 0.029 0.000 2.361 -246 L HA 0.173 4.515 4.340 0.002 0.000 0.278 -246 L C 1.523 178.410 176.870 0.028 0.000 1.113 -246 L CA -0.084 54.777 54.840 0.034 0.000 0.849 -246 L CB 0.109 42.135 42.059 -0.055 0.000 1.155 -246 L HN 0.666 nan 8.230 nan 0.000 0.452 -245 I N -0.136 120.463 120.570 0.049 0.000 4.139 -245 I HA 0.532 4.703 4.170 0.002 0.000 0.320 -245 I C 0.684 176.778 176.117 -0.038 0.000 1.290 -245 I CA -0.066 61.259 61.300 0.041 0.000 1.253 -245 I CB 0.486 38.550 38.000 0.107 0.000 1.122 -245 I HN 0.498 nan 8.210 nan 0.000 0.421 -244 A N 0.027 122.773 122.820 -0.123 0.000 2.593 -244 A HA 0.734 5.055 4.320 0.002 0.000 0.290 -244 A C -1.997 175.478 177.584 -0.182 0.000 1.126 -244 A CA -0.418 51.479 52.037 -0.235 0.000 0.695 -244 A CB 0.709 19.310 19.000 -0.664 0.000 1.290 -244 A HN 0.153 nan 8.150 nan 0.000 0.414 -243 Y N 0.727 120.945 120.300 -0.137 0.000 2.341 -243 Y HA 0.438 4.989 4.550 0.003 0.000 0.340 -243 Y C -2.194 173.552 175.900 -0.256 0.000 0.997 -243 Y CA -2.085 55.945 58.100 -0.117 0.000 1.149 -243 Y CB 1.205 39.654 38.460 -0.019 0.000 1.171 -243 Y HN 0.352 nan 8.280 nan 0.000 0.494 -242 P HA 0.076 nan 4.420 nan 0.000 0.276 -242 P C 0.078 177.304 177.300 -0.124 0.000 1.243 -242 P CA 0.185 63.140 63.100 -0.242 0.000 0.768 -242 P CB 0.983 32.436 31.700 -0.412 0.000 0.856 -241 I N 1.735 122.296 120.570 -0.015 0.000 2.900 -241 I HA 0.319 4.490 4.170 0.002 0.000 0.251 -241 I C 1.050 177.201 176.117 0.057 0.000 1.102 -241 I CA 0.581 61.915 61.300 0.057 0.000 1.457 -241 I CB -1.100 37.008 38.000 0.179 0.000 1.285 -241 I HN 0.292 nan 8.210 nan 0.000 0.459 -240 A N 0.298 123.160 122.820 0.070 0.000 2.610 -240 A HA 0.676 4.998 4.320 0.002 0.000 0.291 -240 A C -1.362 176.269 177.584 0.078 0.000 1.086 -240 A CA -0.387 51.701 52.037 0.085 0.000 0.677 -240 A CB 1.604 20.669 19.000 0.109 0.000 1.278 -240 A HN -0.146 nan 8.150 nan 0.000 0.414 -239 V N 1.460 121.424 119.914 0.082 0.000 2.417 -239 V HA 0.571 4.692 4.120 0.002 0.000 0.291 -239 V C -0.724 175.435 176.094 0.107 0.000 1.024 -239 V CA -0.357 61.994 62.300 0.084 0.000 0.861 -239 V CB 1.057 32.915 31.823 0.058 0.000 0.985 -239 V HN 0.923 nan 8.190 nan 0.000 0.436 -238 E N 3.463 123.752 120.200 0.148 0.000 2.222 -238 E HA 0.866 5.217 4.350 0.002 0.000 0.267 -238 E C -0.527 176.192 176.600 0.198 0.000 0.884 -238 E CA -0.551 55.947 56.400 0.164 0.000 0.764 -238 E CB 2.242 32.133 29.700 0.319 0.000 1.169 -238 E HN 0.848 nan 8.360 nan 0.000 0.413 -237 A N 2.691 125.580 122.820 0.114 0.000 2.498 -237 A HA 0.612 4.933 4.320 0.002 0.000 0.298 -237 A C -0.869 176.711 177.584 -0.007 0.000 1.075 -237 A CA -0.894 51.213 52.037 0.118 0.000 0.714 -237 A CB 0.906 19.971 19.000 0.109 0.000 1.299 -237 A HN 0.604 nan 8.150 nan 0.000 0.407 -236 L N 1.603 122.787 121.223 -0.065 0.000 2.453 -236 L HA 0.340 4.682 4.340 0.002 0.000 0.272 -236 L C 0.264 177.102 176.870 -0.053 0.000 1.182 -236 L CA 0.191 54.948 54.840 -0.139 0.000 0.858 -236 L CB 0.937 42.853 42.059 -0.238 0.000 1.120 -236 L HN 0.717 nan 8.230 nan 0.000 0.474 -235 S N 2.700 118.382 115.700 -0.030 0.000 2.570 -235 S HA 0.463 4.935 4.470 0.002 0.000 0.286 -235 S C -0.732 173.885 174.600 0.028 0.000 1.099 -235 S CA -0.683 57.539 58.200 0.037 0.000 0.913 -235 S CB 2.165 65.441 63.200 0.125 0.000 1.085 -235 S HN 0.415 nan 8.310 nan 0.000 0.480 -234 L N 3.173 124.416 121.223 0.034 0.000 2.385 -234 L HA 0.451 4.793 4.340 0.002 0.000 0.281 -234 L C -1.088 175.844 176.870 0.104 0.000 1.106 -234 L CA 0.310 55.168 54.840 0.029 0.000 0.856 -234 L CB -0.455 41.598 42.059 -0.010 0.000 1.186 -234 L HN 0.531 nan 8.230 nan 0.000 0.453 -233 I N 6.704 127.305 120.570 0.052 0.000 2.331 -233 I HA 0.300 4.471 4.170 0.002 0.000 0.292 -233 I C -0.558 175.664 176.117 0.175 0.000 0.998 -233 I CA -0.726 60.609 61.300 0.059 0.000 1.267 -233 I CB 0.664 38.576 38.000 -0.148 0.000 1.386 -233 I HN 0.617 nan 8.210 nan 0.000 0.476 -232 Y N 4.513 124.935 120.300 0.202 0.000 2.602 -232 Y HA 0.516 5.067 4.550 0.002 0.000 0.342 -232 Y C -0.589 175.527 175.900 0.360 0.000 1.029 -232 Y CA -1.478 56.785 58.100 0.271 0.000 1.080 -232 Y CB 0.890 39.419 38.460 0.117 0.000 1.284 -232 Y HN 0.422 nan 8.280 nan 0.000 0.485 -231 N N 2.423 121.328 118.700 0.341 0.000 2.437 -231 N HA 0.132 4.874 4.740 0.002 0.000 0.243 -231 N C 0.238 175.835 175.510 0.146 0.000 1.041 -231 N CA -0.048 53.060 53.050 0.096 0.000 0.940 -231 N CB 0.992 39.449 38.487 -0.050 0.000 1.133 -231 N HN 0.863 nan 8.380 nan 0.000 0.506 -230 K N 1.884 122.290 120.400 0.009 0.000 2.218 -230 K HA -0.159 4.162 4.320 0.002 0.000 0.205 -230 K C 0.172 176.822 176.600 0.083 0.000 1.046 -230 K CA 1.491 57.829 56.287 0.085 0.000 0.933 -230 K CB 0.365 32.844 32.500 -0.035 0.000 0.728 -230 K HN 0.513 nan 8.250 nan 0.000 0.454 -229 D N 0.326 120.746 120.400 0.033 0.000 2.202 -229 D HA -0.034 4.607 4.640 0.002 0.000 0.214 -229 D C 1.892 178.205 176.300 0.022 0.000 0.967 -229 D CA 0.716 54.725 54.000 0.015 0.000 0.871 -229 D CB -0.187 40.605 40.800 -0.014 0.000 1.020 -229 D HN 0.015 nan 8.370 nan 0.000 0.474 -228 L N -0.348 120.886 121.223 0.018 0.000 2.017 -228 L HA -0.054 4.287 4.340 0.002 0.000 0.208 -228 L C 0.589 177.488 176.870 0.048 0.000 1.073 -228 L CA 0.604 55.457 54.840 0.022 0.000 0.745 -228 L CB -0.118 41.947 42.059 0.009 0.000 0.894 -228 L HN 0.073 nan 8.230 nan 0.000 0.432 -227 L N 0.631 121.911 121.223 0.095 0.000 2.353 -227 L HA 0.366 4.707 4.340 0.002 0.000 0.270 -227 L C -1.818 175.128 176.870 0.126 0.000 1.003 -227 L CA -2.114 52.780 54.840 0.090 0.000 0.862 -227 L CB 1.078 43.186 42.059 0.083 0.000 1.221 -227 L HN -0.276 nan 8.230 nan 0.000 0.430 -226 P HA -0.106 nan 4.420 nan 0.000 0.213 -226 P C -0.296 177.027 177.300 0.038 0.000 1.170 -226 P CA 1.098 64.242 63.100 0.074 0.000 0.898 -226 P CB 0.186 31.904 31.700 0.029 0.000 0.787 -225 N N 0.570 119.238 118.700 -0.053 0.000 2.444 -225 N HA 0.253 4.994 4.740 0.002 0.000 0.262 -225 N C -2.329 173.021 175.510 -0.266 0.000 0.974 -225 N CA -1.647 51.316 53.050 -0.145 0.000 0.933 -225 N CB 0.890 39.322 38.487 -0.092 0.000 1.137 -225 N HN 0.130 nan 8.380 nan 0.000 0.498 -224 P HA 0.184 nan 4.420 nan 0.000 0.270 -224 P C -2.611 174.504 177.300 -0.308 0.000 1.223 -224 P CA -0.861 61.891 63.100 -0.580 0.000 0.785 -224 P CB -0.205 30.935 31.700 -0.934 0.000 0.923 -223 P HA 0.208 nan 4.420 nan 0.000 0.286 -223 P C 0.493 177.682 177.300 -0.184 0.000 1.269 -223 P CA -0.278 62.712 63.100 -0.184 0.000 0.787 -223 P CB 1.024 32.620 31.700 -0.175 0.000 0.920 -222 K N 0.801 121.122 120.400 -0.132 0.000 2.167 -222 K HA 0.039 4.361 4.320 0.002 0.000 0.203 -222 K C 1.171 177.717 176.600 -0.090 0.000 1.052 -222 K CA 1.222 57.447 56.287 -0.104 0.000 0.956 -222 K CB -0.282 32.175 32.500 -0.072 0.000 0.735 -222 K HN 0.647 nan 8.250 nan 0.000 0.451 -221 T N -4.150 110.356 114.554 -0.081 0.000 2.926 -221 T HA 0.311 4.662 4.350 0.002 0.000 0.289 -221 T C 0.457 175.143 174.700 -0.023 0.000 1.054 -221 T CA -0.894 61.198 62.100 -0.014 0.000 1.015 -221 T CB 0.977 69.852 68.868 0.013 0.000 1.167 -221 T HN 0.149 nan 8.240 nan 0.000 0.526 -220 W N 0.201 121.538 121.300 0.062 0.000 2.523 -220 W HA 0.213 4.874 4.660 0.002 0.000 0.278 -220 W C 2.165 178.799 176.519 0.193 0.000 1.236 -220 W CA 0.239 57.676 57.345 0.154 0.000 1.306 -220 W CB -0.137 29.457 29.460 0.223 0.000 1.101 -220 W HN 0.780 nan 8.180 nan 0.000 0.577 -219 E N 0.448 120.794 120.200 0.242 0.000 2.204 -219 E HA -0.219 4.132 4.350 0.002 0.000 0.194 -219 E C 1.722 178.449 176.600 0.211 0.000 0.989 -219 E CA 1.590 58.102 56.400 0.187 0.000 0.824 -219 E CB -0.373 29.322 29.700 -0.009 0.000 0.756 -219 E HN 0.517 nan 8.360 nan 0.000 0.477 -218 E N 0.253 120.527 120.200 0.123 0.000 2.478 -218 E HA -0.015 4.337 4.350 0.002 0.000 0.194 -218 E C 1.572 178.201 176.600 0.050 0.000 1.045 -218 E CA 0.217 56.655 56.400 0.063 0.000 0.868 -218 E CB -0.119 29.588 29.700 0.011 0.000 0.885 -218 E HN 0.261 nan 8.360 nan 0.000 0.505 -217 I N 1.445 122.067 120.570 0.086 0.000 2.202 -217 I HA -0.101 4.070 4.170 0.002 0.000 0.242 -217 I C -0.532 175.555 176.117 -0.050 0.000 1.091 -217 I CA 0.594 61.912 61.300 0.029 0.000 1.368 -217 I CB -1.290 36.745 38.000 0.059 0.000 1.058 -217 I HN 0.089 nan 8.210 nan 0.000 0.410 -216 P HA -0.191 nan 4.420 nan 0.000 0.216 -216 P C 1.516 178.760 177.300 -0.094 0.000 1.150 -216 P CA 1.901 64.781 63.100 -0.367 0.000 0.843 -216 P CB -0.017 31.554 31.700 -0.215 0.000 0.787 -215 A N -1.056 121.766 122.820 0.003 0.000 1.930 -215 A HA -0.112 4.209 4.320 0.002 0.000 0.217 -215 A C 1.903 179.504 177.584 0.028 0.000 1.175 -215 A CA 1.259 53.317 52.037 0.034 0.000 0.627 -215 A CB -1.452 17.571 19.000 0.038 0.000 0.815 -215 A HN 0.169 nan 8.150 nan 0.000 0.443 -214 L N -0.386 120.844 121.223 0.012 0.000 2.653 -214 L HA 0.171 4.512 4.340 0.002 0.000 0.232 -214 L C 1.070 177.955 176.870 0.025 0.000 1.169 -214 L CA 0.947 55.794 54.840 0.012 0.000 0.951 -214 L CB 0.098 42.154 42.059 -0.006 0.000 1.181 -214 L HN 0.460 nan 8.230 nan 0.000 0.460 -213 D N -1.089 119.336 120.400 0.042 0.000 2.615 -213 D HA -0.093 4.548 4.640 0.002 0.000 0.259 -213 D C 1.970 178.336 176.300 0.111 0.000 0.999 -213 D CA 0.660 54.714 54.000 0.089 0.000 0.938 -213 D CB 0.292 41.181 40.800 0.147 0.000 1.121 -213 D HN 0.051 nan 8.370 nan 0.000 0.487 -212 K N 0.597 121.078 120.400 0.134 0.000 2.281 -212 K HA -0.159 4.162 4.320 0.002 0.000 0.203 -212 K C 1.867 178.504 176.600 0.060 0.000 1.046 -212 K CA 1.023 57.372 56.287 0.103 0.000 0.938 -212 K CB 0.042 32.608 32.500 0.111 0.000 0.737 -212 K HN 0.260 nan 8.250 nan 0.000 0.458 -211 E N 0.670 120.901 120.200 0.052 0.000 2.046 -211 E HA -0.189 4.163 4.350 0.002 0.000 0.190 -211 E C 1.844 178.462 176.600 0.031 0.000 0.982 -211 E CA 0.977 57.397 56.400 0.035 0.000 0.800 -211 E CB -0.026 29.691 29.700 0.028 0.000 0.756 -211 E HN 0.315 nan 8.360 nan 0.000 0.449 -210 L N 0.535 121.780 121.223 0.037 0.000 2.240 -210 L HA -0.045 4.296 4.340 0.002 0.000 0.211 -210 L C 2.706 179.595 176.870 0.031 0.000 1.106 -210 L CA 0.487 55.346 54.840 0.033 0.000 0.793 -210 L CB -0.185 41.897 42.059 0.038 0.000 0.927 -210 L HN -0.019 nan 8.230 nan 0.000 0.446 -209 K N 0.418 120.842 120.400 0.039 0.000 2.147 -209 K HA -0.115 4.206 4.320 0.002 0.000 0.205 -209 K C 2.145 178.756 176.600 0.018 0.000 1.049 -209 K CA 1.332 57.636 56.287 0.030 0.000 0.936 -209 K CB -0.221 32.300 32.500 0.034 0.000 0.722 -209 K HN 0.285 nan 8.250 nan 0.000 0.446 -208 A N 1.435 124.266 122.820 0.019 0.000 1.908 -208 A HA -0.163 4.158 4.320 0.002 0.000 0.218 -208 A C 1.627 179.216 177.584 0.009 0.000 1.181 -208 A CA 1.514 53.558 52.037 0.013 0.000 0.627 -208 A CB -0.226 18.782 19.000 0.014 0.000 0.818 -208 A HN 0.241 nan 8.150 nan 0.000 0.445 -207 K N -0.808 119.599 120.400 0.011 0.000 2.596 -207 K HA 0.309 4.630 4.320 0.002 0.000 0.211 -207 K C 0.682 177.285 176.600 0.005 0.000 1.046 -207 K CA 0.372 56.663 56.287 0.007 0.000 1.202 -207 K CB -0.275 32.230 32.500 0.007 0.000 0.925 -207 K HN 0.621 nan 8.250 nan 0.000 0.486 -206 G N 1.894 110.698 108.800 0.006 0.000 2.246 -206 G HA2 -0.256 3.705 3.960 0.002 0.000 0.273 -206 G HA3 -0.256 3.705 3.960 0.002 0.000 0.273 -206 G C -0.382 174.521 174.900 0.004 0.000 1.055 -206 G CA 0.272 45.374 45.100 0.003 0.000 0.851 -206 G HN 0.147 nan 8.290 nan 0.000 0.500 -205 K N -0.273 120.134 120.400 0.011 0.000 2.482 -205 K HA 0.701 5.022 4.320 0.002 0.000 0.257 -205 K C 0.160 176.777 176.600 0.028 0.000 0.969 -205 K CA -0.182 56.114 56.287 0.015 0.000 0.842 -205 K CB 1.909 34.416 32.500 0.012 0.000 1.359 -205 K HN 0.576 nan 8.250 nan 0.000 0.441 -204 S N -0.702 115.019 115.700 0.034 0.000 2.578 -204 S HA 0.565 5.036 4.470 0.002 0.000 0.283 -204 S C 0.787 175.428 174.600 0.068 0.000 1.195 -204 S CA -0.258 57.973 58.200 0.051 0.000 1.050 -204 S CB 1.780 65.007 63.200 0.044 0.000 1.012 -204 S HN 0.613 nan 8.310 nan 0.000 0.511 -203 A N 1.844 124.713 122.820 0.081 0.000 1.861 -203 A HA 0.415 4.736 4.320 0.002 0.000 0.212 -203 A C 0.524 178.170 177.584 0.104 0.000 1.199 -203 A CA 0.547 52.633 52.037 0.083 0.000 0.613 -203 A CB -0.493 18.548 19.000 0.068 0.000 0.846 -203 A HN 0.832 nan 8.150 nan 0.000 0.446 -202 L N -0.562 120.729 121.223 0.114 0.000 2.385 -202 L HA 0.738 5.079 4.340 0.002 0.000 0.273 -202 L C -1.026 175.924 176.870 0.133 0.000 0.990 -202 L CA -0.088 54.845 54.840 0.155 0.000 0.821 -202 L CB 1.729 43.901 42.059 0.188 0.000 1.279 -202 L HN 0.348 nan 8.230 nan 0.000 0.412 -201 M N 6.290 125.984 119.600 0.157 0.000 2.238 -201 M HA 0.512 4.993 4.480 0.002 0.000 0.278 -201 M C -1.635 174.732 176.300 0.112 0.000 1.040 -201 M CA -0.356 54.968 55.300 0.039 0.000 0.969 -201 M CB 1.913 34.531 32.600 0.031 0.000 1.694 -201 M HN 0.585 nan 8.290 nan 0.000 0.472 -200 F N 0.266 120.204 119.950 -0.021 0.000 2.685 -200 F HA 0.563 5.091 4.527 0.002 0.000 0.315 -200 F C -0.464 175.241 175.800 -0.158 0.000 1.126 -200 F CA -1.250 56.691 58.000 -0.098 0.000 0.950 -200 F CB 0.834 39.836 39.000 0.004 0.000 1.360 -200 F HN 0.445 nan 8.300 nan 0.000 0.469 -199 N N 1.808 120.416 118.700 -0.154 0.000 2.418 -199 N HA 0.026 4.768 4.740 0.002 0.000 0.277 -199 N C 0.130 175.624 175.510 -0.026 0.000 1.317 -199 N CA 0.368 53.255 53.050 -0.273 0.000 0.922 -199 N CB 0.568 38.648 38.487 -0.679 0.000 1.194 -199 N HN 0.862 nan 8.380 nan 0.000 0.485 -198 L N 2.721 123.894 121.223 -0.084 0.000 2.558 -198 L HA 0.054 4.396 4.340 0.002 0.000 0.225 -198 L C 1.923 178.842 176.870 0.082 0.000 1.128 -198 L CA 0.222 55.070 54.840 0.013 0.000 0.868 -198 L CB 0.088 42.071 42.059 -0.125 0.000 1.006 -198 L HN 0.433 nan 8.230 nan 0.000 0.454 -197 Q N -0.214 119.625 119.800 0.064 0.000 2.269 -197 Q HA 0.085 4.427 4.340 0.002 0.000 0.201 -197 Q C 0.353 176.440 176.000 0.145 0.000 0.946 -197 Q CA 0.779 56.631 55.803 0.082 0.000 0.877 -197 Q CB 0.244 29.015 28.738 0.055 0.000 0.963 -197 Q HN 0.306 nan 8.270 nan 0.000 0.472 -196 E N 0.907 121.253 120.200 0.242 0.000 2.191 -196 E HA 0.149 4.500 4.350 0.002 0.000 0.278 -196 E C -1.723 175.130 176.600 0.423 0.000 0.972 -196 E CA -2.023 54.579 56.400 0.337 0.000 0.804 -196 E CB 1.690 31.676 29.700 0.477 0.000 1.110 -196 E HN -0.072 nan 8.360 nan 0.000 0.394 -195 P HA -0.162 nan 4.420 nan 0.000 0.221 -195 P C 1.334 178.917 177.300 0.472 0.000 1.150 -195 P CA 0.838 64.164 63.100 0.376 0.000 0.800 -195 P CB 0.084 32.001 31.700 0.360 0.000 0.787 -194 Y N 0.283 120.618 120.300 0.058 0.000 2.298 -194 Y HA -0.203 4.348 4.550 0.002 0.000 0.287 -194 Y C 1.758 177.664 175.900 0.009 0.000 1.164 -194 Y CA 1.374 59.426 58.100 -0.080 0.000 1.229 -194 Y CB -1.014 37.183 38.460 -0.438 0.000 0.977 -194 Y HN -0.182 nan 8.280 nan 0.000 0.538 -193 F N -1.573 118.503 119.950 0.210 0.000 2.374 -193 F HA -0.011 4.517 4.527 0.003 0.000 0.291 -193 F C 2.523 178.360 175.800 0.062 0.000 1.084 -193 F CA 1.267 59.319 58.000 0.087 0.000 1.413 -193 F CB -0.745 38.409 39.000 0.257 0.000 1.099 -193 F HN -0.018 nan 8.300 nan 0.000 0.534 -192 T N -2.699 112.110 114.554 0.426 0.000 3.054 -192 T HA -0.159 4.192 4.350 0.002 0.000 0.259 -192 T C 1.865 176.695 174.700 0.216 0.000 1.092 -192 T CA 0.180 62.468 62.100 0.314 0.000 1.121 -192 T CB -0.710 68.378 68.868 0.367 0.000 0.912 -192 T HN 0.515 nan 8.240 nan 0.000 0.489 -191 W N 2.903 124.298 121.300 0.158 0.000 2.358 -191 W HA -0.038 4.622 4.660 0.001 0.000 0.303 -191 W C -1.710 174.837 176.519 0.046 0.000 1.208 -191 W CA 0.845 58.291 57.345 0.169 0.000 1.274 -191 W CB -1.122 28.588 29.460 0.417 0.000 1.138 -191 W HN 0.275 nan 8.180 nan 0.000 0.515 -190 P HA -0.251 nan 4.420 nan 0.000 0.217 -190 P C 1.808 178.919 177.300 -0.314 0.000 1.151 -190 P CA 1.860 64.851 63.100 -0.182 0.000 0.849 -190 P CB -0.473 31.190 31.700 -0.061 0.000 0.787 -189 L N -0.982 120.021 121.223 -0.366 0.000 2.044 -189 L HA -0.069 4.272 4.340 0.002 0.000 0.205 -189 L C 2.209 178.728 176.870 -0.585 0.000 1.075 -189 L CA 1.622 56.094 54.840 -0.613 0.000 0.747 -189 L CB -1.121 40.443 42.059 -0.826 0.000 0.903 -189 L HN -0.142 nan 8.230 nan 0.000 0.435 -188 I N -0.177 120.083 120.570 -0.516 0.000 2.286 -188 I HA -0.282 3.889 4.170 0.002 0.000 0.248 -188 I C 2.497 178.189 176.117 -0.708 0.000 1.115 -188 I CA 1.249 62.230 61.300 -0.531 0.000 1.392 -188 I CB -0.681 37.077 38.000 -0.403 0.000 1.065 -188 I HN 0.352 nan 8.210 nan 0.000 0.418 -187 A N 0.604 122.818 122.820 -1.011 0.000 2.016 -187 A HA 0.046 4.367 4.320 0.002 0.000 0.217 -187 A C 2.558 179.910 177.584 -0.386 0.000 1.162 -187 A CA 1.216 52.741 52.037 -0.853 0.000 0.662 -187 A CB -0.597 17.781 19.000 -1.038 0.000 0.812 -187 A HN 0.394 nan 8.150 nan 0.000 0.450 -186 A N 0.417 123.050 122.820 -0.312 0.000 1.884 -186 A HA -0.298 4.024 4.320 0.002 0.000 0.219 -186 A C 1.900 179.459 177.584 -0.042 0.000 1.197 -186 A CA 2.454 54.416 52.037 -0.126 0.000 0.637 -186 A CB -0.707 18.253 19.000 -0.067 0.000 0.827 -186 A HN 0.511 nan 8.150 nan 0.000 0.450 -185 D N -2.392 118.008 120.400 -0.001 0.000 2.110 -185 D HA 0.148 4.789 4.640 0.002 0.000 0.202 -185 D C 1.544 177.844 176.300 -0.001 0.000 0.975 -185 D CA 1.968 55.986 54.000 0.031 0.000 0.839 -185 D CB -0.074 40.793 40.800 0.112 0.000 0.996 -185 D HN 0.389 nan 8.370 nan 0.000 0.464 -184 G N -1.563 107.231 108.800 -0.010 0.000 3.601 -184 G HA2 0.242 4.203 3.960 0.002 0.000 0.192 -184 G HA3 0.242 4.203 3.960 0.002 0.000 0.192 -184 G C 0.577 175.540 174.900 0.105 0.000 1.184 -184 G CA 0.180 45.308 45.100 0.046 0.000 0.891 -184 G HN 0.433 nan 8.290 nan 0.000 0.706 -183 G N 0.429 109.209 108.800 -0.033 0.000 2.467 -183 G HA2 0.565 4.526 3.960 0.002 0.000 0.257 -183 G HA3 0.565 4.526 3.960 0.002 0.000 0.257 -183 G C -0.515 174.459 174.900 0.123 0.000 1.227 -183 G CA -0.027 45.035 45.100 -0.062 0.000 0.835 -183 G HN 0.891 nan 8.290 nan 0.000 0.556 -182 Y N -1.764 118.694 120.300 0.264 0.000 2.656 -182 Y HA 0.695 5.247 4.550 0.003 0.000 0.334 -182 Y C 0.632 176.697 175.900 0.275 0.000 1.179 -182 Y CA -0.780 57.530 58.100 0.350 0.000 1.050 -182 Y CB 0.639 39.188 38.460 0.148 0.000 1.308 -182 Y HN 0.718 nan 8.280 nan 0.000 0.456 -181 A N 1.455 124.308 122.820 0.055 0.000 1.833 -181 A HA 0.336 4.657 4.320 0.002 0.000 0.215 -181 A C -0.375 176.821 177.584 -0.647 0.000 1.275 -181 A CA 1.097 52.635 52.037 -0.831 0.000 0.602 -181 A CB -0.544 17.579 19.000 -1.461 0.000 0.929 -181 A HN 0.563 nan 8.150 nan 0.000 0.462 -180 F N -1.042 118.997 119.950 0.147 0.000 2.520 -180 F HA 0.562 5.090 4.527 0.001 0.000 0.322 -180 F C 0.021 176.120 175.800 0.499 0.000 1.103 -180 F CA -1.126 57.048 58.000 0.291 0.000 0.926 -180 F CB 1.613 40.682 39.000 0.115 0.000 1.154 -180 F HN 0.001 nan 8.300 nan 0.000 0.453 -179 K N 2.117 122.889 120.400 0.620 0.000 2.379 -179 K HA 0.088 4.409 4.320 0.002 0.000 0.284 -179 K C -1.281 175.485 176.600 0.276 0.000 1.044 -179 K CA -0.022 56.436 56.287 0.284 0.000 0.974 -179 K CB -0.078 32.511 32.500 0.148 0.000 0.962 -179 K HN 0.575 nan 8.250 nan 0.000 0.474 -178 Y N 4.446 124.793 120.300 0.079 0.000 2.585 -178 Y HA 0.132 4.683 4.550 0.001 0.000 0.354 -178 Y C -0.487 175.356 175.900 -0.095 0.000 1.024 -178 Y CA 0.214 58.252 58.100 -0.103 0.000 1.321 -178 Y CB 0.443 38.799 38.460 -0.174 0.000 1.151 -178 Y HN 0.493 nan 8.280 nan 0.000 0.525 -177 E N 5.625 125.654 120.200 -0.285 0.000 2.220 -177 E HA 0.198 4.549 4.350 0.002 0.000 0.256 -177 E C -0.757 175.701 176.600 -0.236 0.000 0.881 -177 E CA -0.587 55.717 56.400 -0.161 0.000 0.766 -177 E CB 0.906 30.566 29.700 -0.066 0.000 1.187 -177 E HN 0.712 nan 8.360 nan 0.000 0.419 -176 N N 2.022 120.629 118.700 -0.154 0.000 2.699 -176 N HA -0.186 4.555 4.740 0.002 0.000 0.257 -176 N C 0.670 176.053 175.510 -0.211 0.000 1.077 -176 N CA 0.948 53.921 53.050 -0.129 0.000 0.702 -176 N CB -1.203 37.228 38.487 -0.094 0.000 0.886 -176 N HN 0.931 nan 8.380 nan 0.000 0.549 -175 G N -0.243 108.430 108.800 -0.210 0.000 2.269 -175 G HA2 -0.371 3.590 3.960 0.002 0.000 0.277 -175 G HA3 -0.371 3.590 3.960 0.002 0.000 0.277 -175 G C 0.173 174.744 174.900 -0.547 0.000 1.008 -175 G CA 1.595 46.578 45.100 -0.195 0.000 0.774 -175 G HN 1.000 nan 8.290 nan 0.000 0.511 -174 K N -1.935 117.839 120.400 -1.043 0.000 2.533 -174 K HA 0.609 4.930 4.320 0.002 0.000 0.284 -174 K C -1.490 174.542 176.600 -0.947 0.000 1.025 -174 K CA -1.305 54.497 56.287 -0.808 0.000 0.900 -174 K CB 1.155 33.449 32.500 -0.342 0.000 1.519 -174 K HN 0.015 nan 8.250 nan 0.000 0.432 -173 Y N 0.509 120.629 120.300 -0.300 0.000 2.330 -173 Y HA 0.231 4.783 4.550 0.004 0.000 0.336 -173 Y C -0.387 175.445 175.900 -0.113 0.000 1.036 -173 Y CA -0.365 57.653 58.100 -0.136 0.000 1.125 -173 Y CB 1.586 40.014 38.460 -0.055 0.000 1.194 -173 Y HN 0.613 nan 8.280 nan 0.000 0.469 -172 D N 3.650 124.141 120.400 0.152 0.000 2.380 -172 D HA 0.143 4.785 4.640 0.002 0.000 0.230 -172 D C 0.791 177.174 176.300 0.139 0.000 1.154 -172 D CA -0.262 53.801 54.000 0.105 0.000 0.859 -172 D CB 0.653 41.525 40.800 0.121 0.000 1.045 -172 D HN 0.594 nan 8.370 nan 0.000 0.495 -171 I N 1.664 122.232 120.570 -0.002 0.000 2.761 -171 I HA -0.075 4.096 4.170 0.002 0.000 0.261 -171 I C 1.707 177.904 176.117 0.133 0.000 1.198 -171 I CA 0.462 61.717 61.300 -0.075 0.000 1.482 -171 I CB -0.131 37.754 38.000 -0.192 0.000 1.100 -171 I HN 0.095 nan 8.210 nan 0.000 0.445 -170 K N 0.497 120.972 120.400 0.125 0.000 2.243 -170 K HA 0.005 4.326 4.320 0.002 0.000 0.201 -170 K C 0.345 177.053 176.600 0.180 0.000 1.051 -170 K CA 0.557 56.925 56.287 0.134 0.000 0.970 -170 K CB -0.560 31.996 32.500 0.093 0.000 0.755 -170 K HN 0.320 nan 8.250 nan 0.000 0.465 -169 D N 2.188 122.722 120.400 0.224 0.000 2.422 -169 D HA 0.141 4.782 4.640 0.002 0.000 0.227 -169 D C -1.174 175.312 176.300 0.310 0.000 1.190 -169 D CA -0.373 53.778 54.000 0.251 0.000 0.905 -169 D CB 0.451 41.407 40.800 0.260 0.000 1.034 -169 D HN -0.241 nan 8.370 nan 0.000 0.507 -168 V N 3.156 123.170 119.914 0.167 0.000 2.378 -168 V HA 0.528 4.650 4.120 0.002 0.000 0.288 -168 V C 1.178 177.161 176.094 -0.186 0.000 1.016 -168 V CA -0.917 61.371 62.300 -0.019 0.000 0.840 -168 V CB 1.801 33.619 31.823 -0.009 0.000 0.994 -168 V HN 0.584 nan 8.190 nan 0.000 0.431 -167 G N 2.562 110.975 108.800 -0.644 0.000 4.084 -167 G HA2 0.252 4.213 3.960 0.002 0.000 0.293 -167 G HA3 0.252 4.213 3.960 0.002 0.000 0.293 -167 G C 0.574 175.219 174.900 -0.425 0.000 1.303 -167 G CA 0.024 44.621 45.100 -0.839 0.000 1.289 -167 G HN 0.582 nan 8.290 nan 0.000 0.609 -166 V N 0.663 120.496 119.914 -0.135 0.000 3.623 -166 V HA 0.117 4.238 4.120 0.002 0.000 0.271 -166 V C 0.967 177.098 176.094 0.062 0.000 1.248 -166 V CA 1.426 63.782 62.300 0.094 0.000 1.156 -166 V CB 0.028 31.906 31.823 0.092 0.000 0.870 -166 V HN 0.670 nan 8.190 nan 0.000 0.453 -165 D N -1.425 118.976 120.400 0.002 0.000 2.615 -165 D HA 0.040 4.681 4.640 0.002 0.000 0.274 -165 D C 0.125 176.434 176.300 0.015 0.000 1.512 -165 D CA -0.284 53.726 54.000 0.017 0.000 0.803 -165 D CB -0.396 40.416 40.800 0.021 0.000 1.182 -165 D HN 0.546 nan 8.370 nan 0.000 0.473 -164 N N 1.026 119.730 118.700 0.007 0.000 2.322 -164 N HA 0.322 5.063 4.740 0.002 0.000 0.270 -164 N C 1.558 177.088 175.510 0.032 0.000 1.286 -164 N CA 0.088 53.157 53.050 0.030 0.000 0.948 -164 N CB 0.272 38.792 38.487 0.055 0.000 1.164 -164 N HN -0.072 nan 8.380 nan 0.000 0.551 -163 A N -0.774 122.070 122.820 0.041 0.000 1.883 -163 A HA -0.053 4.268 4.320 0.002 0.000 0.217 -163 A C 2.096 179.702 177.584 0.037 0.000 1.186 -163 A CA 2.055 54.114 52.037 0.037 0.000 0.624 -163 A CB -1.796 17.226 19.000 0.036 0.000 0.822 -163 A HN 0.790 nan 8.150 nan 0.000 0.444 -162 G N -0.971 107.850 108.800 0.035 0.000 2.422 -162 G HA2 0.082 4.043 3.960 0.002 0.000 0.218 -162 G HA3 0.082 4.043 3.960 0.002 0.000 0.218 -162 G C 1.651 176.549 174.900 -0.003 0.000 1.140 -162 G CA 1.267 46.385 45.100 0.029 0.000 0.775 -162 G HN 0.805 nan 8.290 nan 0.000 0.545 -161 A N 0.572 123.379 122.820 -0.022 0.000 1.968 -161 A HA 0.119 4.440 4.320 0.002 0.000 0.217 -161 A C 2.271 179.835 177.584 -0.033 0.000 1.169 -161 A CA 1.779 53.779 52.037 -0.061 0.000 0.638 -161 A CB -0.227 18.758 19.000 -0.024 0.000 0.812 -161 A HN 0.357 nan 8.150 nan 0.000 0.446 -160 K N -0.215 120.188 120.400 0.005 0.000 2.001 -160 K HA 0.016 4.337 4.320 0.002 0.000 0.208 -160 K C 2.331 178.951 176.600 0.034 0.000 1.048 -160 K CA 1.066 57.365 56.287 0.020 0.000 0.932 -160 K CB -0.352 32.167 32.500 0.033 0.000 0.715 -160 K HN 0.386 nan 8.250 nan 0.000 0.437 -159 A N 1.175 124.038 122.820 0.072 0.000 1.958 -159 A HA -0.179 4.142 4.320 0.002 0.000 0.221 -159 A C 2.331 179.985 177.584 0.117 0.000 1.178 -159 A CA 2.222 54.360 52.037 0.168 0.000 0.642 -159 A CB -1.353 17.784 19.000 0.228 0.000 0.816 -159 A HN 0.478 nan 8.150 nan 0.000 0.453 -158 G N -0.598 108.159 108.800 -0.072 0.000 2.414 -158 G HA2 -0.089 3.872 3.960 0.002 0.000 0.215 -158 G HA3 -0.089 3.872 3.960 0.002 0.000 0.215 -158 G C 1.440 176.160 174.900 -0.300 0.000 1.188 -158 G CA 1.102 45.954 45.100 -0.414 0.000 0.783 -158 G HN 0.484 nan 8.290 nan 0.000 0.537 -157 L N 1.107 122.246 121.223 -0.140 0.000 2.217 -157 L HA 0.091 4.432 4.340 0.002 0.000 0.211 -157 L C 2.879 179.730 176.870 -0.032 0.000 1.107 -157 L CA 1.996 56.792 54.840 -0.074 0.000 0.783 -157 L CB -0.767 41.278 42.059 -0.024 0.000 0.919 -157 L HN 0.189 nan 8.230 nan 0.000 0.442 -156 T N -0.763 113.795 114.554 0.007 0.000 2.674 -156 T HA -0.241 4.110 4.350 0.002 0.000 0.265 -156 T C 1.634 176.380 174.700 0.075 0.000 1.039 -156 T CA 2.014 64.147 62.100 0.056 0.000 1.150 -156 T CB -0.603 68.328 68.868 0.105 0.000 0.864 -156 T HN 0.326 nan 8.240 nan 0.000 0.427 -155 F N 1.245 121.152 119.950 -0.071 0.000 2.293 -155 F HA 0.056 4.585 4.527 0.003 0.000 0.300 -155 F C 1.851 177.595 175.800 -0.094 0.000 1.086 -155 F CA 0.293 58.256 58.000 -0.062 0.000 1.375 -155 F CB -0.282 38.651 39.000 -0.113 0.000 1.045 -155 F HN 0.022 nan 8.300 nan 0.000 0.516 -154 L N -0.520 120.649 121.223 -0.091 0.000 2.072 -154 L HA -0.088 4.254 4.340 0.002 0.000 0.205 -154 L C 2.145 178.966 176.870 -0.082 0.000 1.079 -154 L CA 1.558 56.340 54.840 -0.095 0.000 0.752 -154 L CB -0.965 41.054 42.059 -0.067 0.000 0.906 -154 L HN -0.007 nan 8.230 nan 0.000 0.436 -153 V N -0.074 119.803 119.914 -0.063 0.000 2.358 -153 V HA -0.261 3.860 4.120 0.002 0.000 0.246 -153 V C 2.211 178.263 176.094 -0.070 0.000 1.047 -153 V CA 1.761 64.032 62.300 -0.048 0.000 1.035 -153 V CB -0.908 30.901 31.823 -0.024 0.000 0.658 -153 V HN 0.389 nan 8.190 nan 0.000 0.452 -152 D N 0.353 120.687 120.400 -0.109 0.000 2.203 -152 D HA -0.184 4.457 4.640 0.002 0.000 0.199 -152 D C 2.000 178.229 176.300 -0.119 0.000 0.997 -152 D CA 1.330 55.247 54.000 -0.139 0.000 0.863 -152 D CB -0.266 40.378 40.800 -0.260 0.000 0.928 -152 D HN 0.373 nan 8.370 nan 0.000 0.458 -151 L N -0.335 120.795 121.223 -0.156 0.000 2.179 -151 L HA -0.011 4.331 4.340 0.002 0.000 0.208 -151 L C 2.263 179.152 176.870 0.031 0.000 1.096 -151 L CA 0.479 55.310 54.840 -0.015 0.000 0.779 -151 L CB -0.207 41.825 42.059 -0.044 0.000 0.922 -151 L HN 0.042 nan 8.230 nan 0.000 0.443 -150 I N -0.026 120.529 120.570 -0.026 0.000 2.162 -150 I HA -0.206 3.965 4.170 0.002 0.000 0.238 -150 I C 1.598 177.688 176.117 -0.045 0.000 1.076 -150 I CA 1.208 62.486 61.300 -0.037 0.000 1.353 -150 I CB -0.115 37.859 38.000 -0.043 0.000 1.063 -150 I HN 0.022 nan 8.210 nan 0.000 0.408 -149 K N 1.317 121.692 120.400 -0.041 0.000 3.077 -149 K HA 0.032 4.353 4.320 0.002 0.000 0.269 -149 K C 0.072 176.640 176.600 -0.053 0.000 0.973 -149 K CA 0.375 56.637 56.287 -0.042 0.000 1.162 -149 K CB -0.430 32.053 32.500 -0.029 0.000 1.079 -149 K HN 0.381 nan 8.250 nan 0.000 0.456 -148 N N -0.543 118.106 118.700 -0.086 0.000 1.986 -148 N HA 0.054 4.795 4.740 0.002 0.000 0.227 -148 N C -0.839 174.465 175.510 -0.344 0.000 1.387 -148 N CA -0.177 52.766 53.050 -0.179 0.000 0.810 -148 N CB 0.631 39.049 38.487 -0.115 0.000 1.140 -148 N HN -0.028 nan 8.380 nan 0.000 0.504 -147 K N -0.190 120.083 120.400 -0.211 0.000 3.281 -147 K HA -0.230 4.091 4.320 0.002 0.000 0.295 -147 K C 0.020 176.506 176.600 -0.189 0.000 1.233 -147 K CA 0.613 56.792 56.287 -0.179 0.000 0.866 -147 K CB -1.480 30.924 32.500 -0.161 0.000 1.265 -147 K HN 0.425 nan 8.250 nan 0.000 0.482 -146 H N -0.525 118.525 119.070 -0.033 0.000 2.403 -146 H HA 0.155 4.712 4.556 0.002 0.000 0.298 -146 H C 0.812 176.125 175.328 -0.025 0.000 1.059 -146 H CA 0.993 57.029 56.048 -0.020 0.000 1.363 -146 H CB 0.235 29.986 29.762 -0.019 0.000 1.410 -146 H HN 0.226 nan 8.280 nan 0.000 0.528 -145 M N 0.772 120.411 119.600 0.064 0.000 2.386 -145 M HA 0.175 4.656 4.480 0.002 0.000 0.293 -145 M C -0.482 175.783 176.300 -0.058 0.000 1.120 -145 M CA -0.782 54.506 55.300 -0.020 0.000 0.909 -145 M CB 2.845 35.406 32.600 -0.066 0.000 1.661 -145 M HN -0.097 nan 8.290 nan 0.000 0.452 -144 N N 1.312 119.967 118.700 -0.075 0.000 2.470 -144 N HA 0.289 5.030 4.740 0.002 0.000 0.268 -144 N C 0.393 175.846 175.510 -0.094 0.000 1.136 -144 N CA 0.166 53.173 53.050 -0.073 0.000 0.961 -144 N CB 1.613 40.063 38.487 -0.062 0.000 1.067 -144 N HN 0.822 nan 8.380 nan 0.000 0.468 -143 A N 2.853 125.630 122.820 -0.072 0.000 2.209 -143 A HA -0.091 4.230 4.320 0.002 0.000 0.212 -143 A C 1.624 179.174 177.584 -0.057 0.000 1.158 -143 A CA 0.607 52.604 52.037 -0.067 0.000 0.742 -143 A CB -0.123 18.849 19.000 -0.046 0.000 0.790 -143 A HN 0.767 nan 8.150 nan 0.000 0.472 -142 D N 0.114 120.481 120.400 -0.055 0.000 2.110 -142 D HA -0.056 4.585 4.640 0.002 0.000 0.202 -142 D C 0.325 176.594 176.300 -0.052 0.000 0.975 -142 D CA 0.989 54.964 54.000 -0.042 0.000 0.839 -142 D CB -0.401 40.379 40.800 -0.034 0.000 0.996 -142 D HN 0.250 nan 8.370 nan 0.000 0.464 -141 T N 2.436 116.944 114.554 -0.076 0.000 2.588 -141 T HA -0.043 4.309 4.350 0.002 0.000 0.236 -141 T C 0.109 174.756 174.700 -0.088 0.000 1.027 -141 T CA 0.762 62.806 62.100 -0.094 0.000 1.167 -141 T CB 0.089 68.867 68.868 -0.151 0.000 1.014 -141 T HN 0.377 nan 8.240 nan 0.000 0.476 -140 D N 1.874 122.241 120.400 -0.056 0.000 2.602 -140 D HA 0.293 4.934 4.640 0.002 0.000 0.228 -140 D C 1.100 177.378 176.300 -0.036 0.000 1.202 -140 D CA -0.669 53.316 54.000 -0.025 0.000 1.084 -140 D CB -0.074 40.742 40.800 0.027 0.000 1.204 -140 D HN 0.363 nan 8.370 nan 0.000 0.629 -139 Y N 0.472 120.726 120.300 -0.078 0.000 2.174 -139 Y HA -0.089 4.462 4.550 0.002 0.000 0.273 -139 Y C 2.806 178.698 175.900 -0.013 0.000 1.087 -139 Y CA 2.810 60.871 58.100 -0.065 0.000 1.078 -139 Y CB -0.664 37.787 38.460 -0.016 0.000 1.010 -139 Y HN 0.399 nan 8.280 nan 0.000 0.478 -138 S N 0.265 116.144 115.700 0.298 0.000 2.420 -138 S HA -0.245 4.226 4.470 0.002 0.000 0.237 -138 S C 1.933 176.575 174.600 0.070 0.000 1.023 -138 S CA 1.736 60.058 58.200 0.202 0.000 0.991 -138 S CB -1.224 62.081 63.200 0.175 0.000 0.792 -138 S HN 0.529 nan 8.310 nan 0.000 0.488 -137 I N 2.164 122.753 120.570 0.032 0.000 2.133 -137 I HA -0.122 4.049 4.170 0.002 0.000 0.238 -137 I C 3.118 179.223 176.117 -0.020 0.000 1.074 -137 I CA 1.317 62.619 61.300 0.003 0.000 1.342 -137 I CB -0.796 37.198 38.000 -0.010 0.000 1.053 -137 I HN 0.439 nan 8.210 nan 0.000 0.404 -136 A N 0.053 122.831 122.820 -0.070 0.000 2.015 -136 A HA -0.233 4.089 4.320 0.002 0.000 0.219 -136 A C 2.294 179.833 177.584 -0.075 0.000 1.163 -136 A CA 1.708 53.698 52.037 -0.080 0.000 0.646 -136 A CB -0.607 18.309 19.000 -0.139 0.000 0.806 -136 A HN 0.545 nan 8.150 nan 0.000 0.448 -135 E N 0.081 120.197 120.200 -0.140 0.000 2.028 -135 E HA -0.101 4.250 4.350 0.002 0.000 0.191 -135 E C 2.152 178.778 176.600 0.043 0.000 0.988 -135 E CA 1.034 57.377 56.400 -0.094 0.000 0.799 -135 E CB -0.282 29.366 29.700 -0.087 0.000 0.755 -135 E HN 0.487 nan 8.360 nan 0.000 0.447 -134 A N 1.272 124.122 122.820 0.049 0.000 1.902 -134 A HA -0.082 4.240 4.320 0.002 0.000 0.217 -134 A C 2.405 180.025 177.584 0.060 0.000 1.181 -134 A CA 1.841 53.914 52.037 0.060 0.000 0.623 -134 A CB -0.795 18.234 19.000 0.050 0.000 0.818 -134 A HN 0.433 nan 8.150 nan 0.000 0.443 -133 A N -1.405 121.450 122.820 0.058 0.000 1.933 -133 A HA -0.074 4.248 4.320 0.002 0.000 0.218 -133 A C 2.060 179.691 177.584 0.079 0.000 1.175 -133 A CA 1.548 53.618 52.037 0.055 0.000 0.628 -133 A CB -0.696 18.333 19.000 0.048 0.000 0.814 -133 A HN 0.632 nan 8.150 nan 0.000 0.444 -132 F N 1.078 121.011 119.950 -0.029 0.000 2.234 -132 F HA -0.137 4.392 4.527 0.002 0.000 0.299 -132 F C 1.995 177.774 175.800 -0.034 0.000 1.087 -132 F CA 1.936 59.918 58.000 -0.030 0.000 1.340 -132 F CB -0.218 38.754 39.000 -0.045 0.000 1.031 -132 F HN 0.327 nan 8.300 nan 0.000 0.500 -131 N N -0.422 118.336 118.700 0.097 0.000 2.354 -131 N HA -0.109 4.632 4.740 0.002 0.000 0.179 -131 N C 1.512 177.002 175.510 -0.033 0.000 1.021 -131 N CA 0.479 53.543 53.050 0.024 0.000 0.887 -131 N CB -0.044 38.485 38.487 0.070 0.000 0.974 -131 N HN 0.234 nan 8.380 nan 0.000 0.437 -130 K N 0.158 120.542 120.400 -0.026 0.000 2.296 -130 K HA 0.036 4.357 4.320 0.002 0.000 0.200 -130 K C 0.648 177.206 176.600 -0.071 0.000 1.048 -130 K CA 0.484 56.750 56.287 -0.034 0.000 0.966 -130 K CB 0.353 32.846 32.500 -0.013 0.000 0.754 -130 K HN 0.234 nan 8.250 nan 0.000 0.466 -129 G N 1.290 110.012 108.800 -0.129 0.000 2.207 -129 G HA2 -0.210 3.751 3.960 0.002 0.000 0.216 -129 G HA3 -0.210 3.751 3.960 0.002 0.000 0.216 -129 G C 0.086 174.917 174.900 -0.114 0.000 1.053 -129 G CA 0.188 45.186 45.100 -0.171 0.000 0.764 -129 G HN 0.414 nan 8.290 nan 0.000 0.495 -128 E N -0.971 119.180 120.200 -0.082 0.000 2.413 -128 E HA 0.156 4.508 4.350 0.002 0.000 0.203 -128 E C 1.016 177.611 176.600 -0.008 0.000 0.957 -128 E CA 0.726 57.106 56.400 -0.033 0.000 0.950 -128 E CB 0.874 30.567 29.700 -0.011 0.000 0.957 -128 E HN 0.335 nan 8.360 nan 0.000 0.497 -127 T N -1.032 113.523 114.554 0.002 0.000 2.887 -127 T HA 0.518 4.869 4.350 0.002 0.000 0.288 -127 T C 0.546 175.299 174.700 0.088 0.000 1.021 -127 T CA -0.112 62.035 62.100 0.078 0.000 1.000 -127 T CB 1.757 70.720 68.868 0.159 0.000 1.034 -127 T HN 0.010 nan 8.240 nan 0.000 0.467 -126 A N 4.458 127.354 122.820 0.127 0.000 1.874 -126 A HA 0.409 4.730 4.320 0.002 0.000 0.214 -126 A C 0.849 178.624 177.584 0.318 0.000 1.189 -126 A CA 0.752 52.880 52.037 0.151 0.000 0.615 -126 A CB -0.193 18.873 19.000 0.110 0.000 0.830 -126 A HN 0.756 nan 8.150 nan 0.000 0.443 -125 M N -1.527 118.259 119.600 0.309 0.000 2.518 -125 M HA 0.500 4.981 4.480 0.002 0.000 0.300 -125 M C -0.526 175.904 176.300 0.217 0.000 1.175 -125 M CA -0.234 55.247 55.300 0.302 0.000 0.890 -125 M CB 2.485 35.176 32.600 0.153 0.000 1.710 -125 M HN 0.113 nan 8.290 nan 0.000 0.453 -124 T N 1.271 115.840 114.554 0.024 0.000 2.865 -124 T HA 0.807 5.158 4.350 0.002 0.000 0.294 -124 T C -1.720 172.952 174.700 -0.047 0.000 1.119 -124 T CA -0.582 61.489 62.100 -0.049 0.000 1.007 -124 T CB 1.336 70.009 68.868 -0.325 0.000 1.225 -124 T HN 0.588 nan 8.240 nan 0.000 0.515 -123 I N 3.650 124.234 120.570 0.023 0.000 2.411 -123 I HA 0.504 4.675 4.170 0.002 0.000 0.284 -123 I C -0.230 175.947 176.117 0.100 0.000 1.012 -123 I CA -0.675 60.626 61.300 0.003 0.000 1.119 -123 I CB 1.455 39.386 38.000 -0.115 0.000 1.261 -123 I HN 0.469 nan 8.210 nan 0.000 0.448 -122 N N 3.121 121.826 118.700 0.008 0.000 3.039 -122 N HA 0.565 5.306 4.740 0.002 0.000 0.257 -122 N C -0.764 174.548 175.510 -0.329 0.000 1.497 -122 N CA -0.368 52.678 53.050 -0.006 0.000 0.861 -122 N CB 2.583 41.001 38.487 -0.116 0.000 1.479 -122 N HN 0.590 nan 8.380 nan 0.000 0.547 -121 G N 0.048 108.302 108.800 -0.911 0.000 2.511 -121 G HA2 0.433 4.394 3.960 0.002 0.000 0.316 -121 G HA3 0.433 4.394 3.960 0.002 0.000 0.316 -121 G C -1.888 171.957 174.900 -1.758 0.000 1.210 -121 G CA -1.097 42.986 45.100 -1.696 0.000 0.969 -121 G HN 0.336 nan 8.290 nan 0.000 0.492 -120 P HA -0.112 nan 4.420 nan 0.000 0.219 -120 P C 1.366 177.891 177.300 -1.292 0.000 1.146 -120 P CA 1.483 63.350 63.100 -2.054 0.000 0.808 -120 P CB -0.001 30.988 31.700 -1.185 0.000 0.779 -119 W N 0.074 121.081 121.300 -0.488 0.000 2.364 -119 W HA -0.045 4.616 4.660 0.002 0.000 0.281 -119 W C 1.961 178.397 176.519 -0.138 0.000 1.219 -119 W CA 0.964 58.173 57.345 -0.226 0.000 1.220 -119 W CB -1.977 27.417 29.460 -0.111 0.000 1.127 -119 W HN -0.137 nan 8.180 nan 0.000 0.556 -118 A N 0.346 122.925 122.820 -0.402 0.000 2.066 -118 A HA -0.066 4.255 4.320 0.002 0.000 0.218 -118 A C 1.630 179.246 177.584 0.053 0.000 1.157 -118 A CA 1.122 53.109 52.037 -0.082 0.000 0.670 -118 A CB -1.247 17.632 19.000 -0.200 0.000 0.804 -118 A HN 0.450 nan 8.150 nan 0.000 0.453 -117 W N 0.558 121.828 121.300 -0.051 0.000 2.374 -117 W HA -0.058 4.604 4.660 0.002 0.000 0.288 -117 W C 2.372 178.892 176.519 0.001 0.000 1.218 -117 W CA 0.816 58.137 57.345 -0.040 0.000 1.245 -117 W CB -1.438 28.056 29.460 0.057 0.000 1.126 -117 W HN 0.335 nan 8.180 nan 0.000 0.545 -116 S N 0.339 116.187 115.700 0.248 0.000 2.402 -116 S HA -0.138 4.333 4.470 0.002 0.000 0.229 -116 S C 1.610 176.282 174.600 0.120 0.000 1.021 -116 S CA 1.119 59.422 58.200 0.172 0.000 0.974 -116 S CB -0.248 63.035 63.200 0.137 0.000 0.800 -116 S HN 0.252 nan 8.310 nan 0.000 0.484 -115 N N 1.589 120.357 118.700 0.113 0.000 2.270 -115 N HA 0.101 4.843 4.740 0.002 0.000 0.181 -115 N C 1.477 177.025 175.510 0.063 0.000 1.016 -115 N CA 0.751 53.856 53.050 0.092 0.000 0.870 -115 N CB -0.282 38.272 38.487 0.112 0.000 0.979 -115 N HN 0.428 nan 8.380 nan 0.000 0.431 -114 I N 0.365 120.949 120.570 0.024 0.000 2.676 -114 I HA -0.131 4.040 4.170 0.002 0.000 0.259 -114 I C 2.002 178.103 176.117 -0.026 0.000 1.194 -114 I CA 0.796 62.049 61.300 -0.079 0.000 1.473 -114 I CB -0.091 37.667 38.000 -0.403 0.000 1.096 -114 I HN -0.002 nan 8.210 nan 0.000 0.443 -113 D N 0.936 121.376 120.400 0.066 0.000 2.120 -113 D HA -0.119 4.523 4.640 0.002 0.000 0.202 -113 D C 2.058 178.408 176.300 0.083 0.000 0.972 -113 D CA 1.515 55.590 54.000 0.126 0.000 0.837 -113 D CB 0.183 41.072 40.800 0.148 0.000 0.989 -113 D HN 0.195 nan 8.370 nan 0.000 0.469 -112 T N 0.248 114.844 114.554 0.069 0.000 2.665 -112 T HA -0.189 4.163 4.350 0.002 0.000 0.268 -112 T C 2.056 176.781 174.700 0.042 0.000 1.035 -112 T CA 2.157 64.289 62.100 0.053 0.000 1.151 -112 T CB -0.462 68.437 68.868 0.052 0.000 0.862 -112 T HN 0.214 nan 8.240 nan 0.000 0.438 -111 S N 0.874 116.597 115.700 0.038 0.000 2.481 -111 S HA 0.024 4.495 4.470 0.002 0.000 0.231 -111 S C 0.812 175.423 174.600 0.017 0.000 0.996 -111 S CA 0.429 58.642 58.200 0.022 0.000 0.942 -111 S CB -0.548 62.659 63.200 0.013 0.000 0.768 -111 S HN 0.522 nan 8.310 nan 0.000 0.520 -110 K N 0.732 121.155 120.400 0.038 0.000 3.419 -110 K HA -0.110 4.211 4.320 0.002 0.000 0.272 -110 K C -0.984 175.636 176.600 0.033 0.000 0.973 -110 K CA 0.290 56.605 56.287 0.047 0.000 0.749 -110 K CB -1.882 30.637 32.500 0.031 0.000 1.403 -110 K HN 0.357 nan 8.250 nan 0.000 0.456 -109 V N 1.275 121.214 119.914 0.041 0.000 2.607 -109 V HA 0.095 4.217 4.120 0.002 0.000 0.289 -109 V C 0.800 176.973 176.094 0.131 0.000 1.053 -109 V CA -0.776 61.532 62.300 0.014 0.000 0.996 -109 V CB 1.521 33.282 31.823 -0.103 0.000 0.995 -109 V HN 0.318 nan 8.190 nan 0.000 0.476 -108 N N 4.085 122.815 118.700 0.050 0.000 2.402 -108 N HA 0.200 4.942 4.740 0.002 0.000 0.252 -108 N C -0.902 174.628 175.510 0.033 0.000 1.118 -108 N CA -0.082 52.982 53.050 0.024 0.000 0.945 -108 N CB 0.065 38.535 38.487 -0.028 0.000 1.147 -108 N HN 0.656 nan 8.380 nan 0.000 0.495 -107 Y N 0.448 120.662 120.300 -0.143 0.000 2.633 -107 Y HA 0.869 5.420 4.550 0.002 0.000 0.339 -107 Y C -0.067 175.618 175.900 -0.358 0.000 1.045 -107 Y CA -1.598 56.381 58.100 -0.203 0.000 1.098 -107 Y CB 0.886 39.341 38.460 -0.007 0.000 1.296 -107 Y HN 0.293 nan 8.280 nan 0.000 0.494 -106 G N 0.591 109.058 108.800 -0.555 0.000 2.719 -106 G HA2 0.535 4.497 3.960 0.002 0.000 0.298 -106 G HA3 0.535 4.497 3.960 0.002 0.000 0.298 -106 G C -2.104 172.593 174.900 -0.339 0.000 1.433 -106 G CA -0.939 43.764 45.100 -0.661 0.000 1.034 -106 G HN 0.656 nan 8.290 nan 0.000 0.517 -105 V N 1.491 121.293 119.914 -0.187 0.000 2.432 -105 V HA 0.742 4.863 4.120 0.002 0.000 0.275 -105 V C 0.586 176.714 176.094 0.058 0.000 1.043 -105 V CA -0.217 62.070 62.300 -0.022 0.000 0.925 -105 V CB 1.006 32.759 31.823 -0.116 0.000 0.985 -105 V HN 0.838 nan 8.190 nan 0.000 0.466 -104 T N 2.953 117.593 114.554 0.144 0.000 2.841 -104 T HA 0.453 4.804 4.350 0.002 0.000 0.296 -104 T C -0.701 174.041 174.700 0.070 0.000 1.166 -104 T CA -0.372 61.801 62.100 0.122 0.000 1.007 -104 T CB 1.965 70.942 68.868 0.181 0.000 1.253 -104 T HN 0.492 nan 8.240 nan 0.000 0.511 -103 V N 3.568 123.503 119.914 0.035 0.000 2.814 -103 V HA 0.236 4.357 4.120 0.002 0.000 0.307 -103 V C 0.456 176.547 176.094 -0.005 0.000 1.089 -103 V CA 0.213 62.523 62.300 0.016 0.000 1.212 -103 V CB -0.122 31.704 31.823 0.005 0.000 0.912 -103 V HN 0.715 nan 8.190 nan 0.000 0.497 -102 L N 8.090 129.316 121.223 0.005 0.000 2.483 -102 L HA 0.215 4.556 4.340 0.002 0.000 0.275 -102 L C -1.884 174.964 176.870 -0.038 0.000 1.220 -102 L CA -1.266 53.569 54.840 -0.009 0.000 0.833 -102 L CB -0.022 42.079 42.059 0.070 0.000 1.102 -102 L HN 0.555 nan 8.230 nan 0.000 0.490 -101 P HA 0.060 nan 4.420 nan 0.000 0.271 -101 P C -0.771 176.605 177.300 0.128 0.000 1.233 -101 P CA -0.357 62.593 63.100 -0.249 0.000 0.789 -101 P CB 0.440 31.588 31.700 -0.920 0.000 0.951 -100 T N -1.121 113.535 114.554 0.169 0.000 2.771 -100 T HA 0.518 4.870 4.350 0.002 0.000 0.281 -100 T C -0.774 174.156 174.700 0.383 0.000 0.982 -100 T CA -0.611 61.643 62.100 0.257 0.000 0.978 -100 T CB -0.062 68.860 68.868 0.090 0.000 0.930 -100 T HN 0.128 nan 8.240 nan 0.000 0.447 -99 F N 3.725 123.788 119.950 0.188 0.000 2.410 -99 F HA 0.455 4.983 4.527 0.002 0.000 0.349 -99 F C 0.972 176.718 175.800 -0.089 0.000 1.117 -99 F CA -0.880 57.111 58.000 -0.014 0.000 1.104 -99 F CB 0.669 39.503 39.000 -0.278 0.000 1.122 -99 F HN 0.874 nan 8.300 nan 0.000 0.483 -98 K N 4.836 124.780 120.400 -0.761 0.000 3.077 -98 K HA -0.233 4.088 4.320 0.002 0.000 0.264 -98 K C 1.000 177.442 176.600 -0.264 0.000 1.008 -98 K CA 0.629 56.562 56.287 -0.590 0.000 0.740 -98 K CB -1.645 30.431 32.500 -0.706 0.000 1.273 -98 K HN 1.288 nan 8.250 nan 0.000 0.477 -97 G N -0.356 108.345 108.800 -0.165 0.000 2.507 -97 G HA2 -0.379 3.582 3.960 0.002 0.000 0.240 -97 G HA3 -0.379 3.582 3.960 0.002 0.000 0.240 -97 G C 0.079 174.949 174.900 -0.050 0.000 1.119 -97 G CA 0.611 45.657 45.100 -0.089 0.000 0.664 -97 G HN 0.374 nan 8.290 nan 0.000 0.516 -96 Q N 2.232 121.999 119.800 -0.055 0.000 2.337 -96 Q HA 0.293 4.634 4.340 0.002 0.000 0.270 -96 Q C -2.096 173.919 176.000 0.026 0.000 1.002 -96 Q CA -0.955 54.837 55.803 -0.019 0.000 0.888 -96 Q CB 1.071 29.794 28.738 -0.023 0.000 1.222 -96 Q HN 0.426 nan 8.270 nan 0.000 0.400 -95 P HA 0.033 nan 4.420 nan 0.000 0.271 -95 P C -0.410 176.921 177.300 0.051 0.000 1.218 -95 P CA -0.134 62.994 63.100 0.047 0.000 0.780 -95 P CB 0.735 32.448 31.700 0.021 0.000 0.901 -94 S N 1.696 117.454 115.700 0.097 0.000 2.562 -94 S HA 0.093 4.565 4.470 0.002 0.000 0.281 -94 S C 0.460 175.060 174.600 0.000 0.000 1.333 -94 S CA -0.178 58.062 58.200 0.065 0.000 1.052 -94 S CB -0.134 63.178 63.200 0.186 0.000 0.884 -94 S HN 0.269 nan 8.310 nan 0.000 0.506 -93 K N 3.744 124.100 120.400 -0.073 0.000 2.533 -93 K HA 0.252 4.573 4.320 0.002 0.000 0.207 -93 K C -2.672 173.889 176.600 -0.064 0.000 1.052 -93 K CA -1.712 54.526 56.287 -0.082 0.000 1.030 -93 K CB 0.865 33.282 32.500 -0.139 0.000 1.522 -93 K HN 0.399 nan 8.250 nan 0.000 0.543 -92 P HA -0.012 nan 4.420 nan 0.000 0.268 -92 P C -0.414 177.011 177.300 0.208 0.000 1.204 -92 P CA -0.178 62.969 63.100 0.079 0.000 0.768 -92 P CB 0.396 32.117 31.700 0.035 0.000 0.842 -91 F N 2.553 122.722 119.950 0.364 0.000 2.495 -91 F HA 0.063 4.591 4.527 0.002 0.000 0.365 -91 F C 0.627 176.679 175.800 0.420 0.000 1.090 -91 F CA 0.021 58.282 58.000 0.434 0.000 1.235 -91 F CB 0.406 39.765 39.000 0.598 0.000 1.119 -91 F HN 0.017 nan 8.300 nan 0.000 0.562 -90 V N 4.432 124.721 119.914 0.625 0.000 2.370 -90 V HA 0.589 4.710 4.120 0.002 0.000 0.283 -90 V C 0.490 176.849 176.094 0.442 0.000 1.023 -90 V CA -0.823 61.740 62.300 0.439 0.000 0.857 -90 V CB 1.097 33.091 31.823 0.286 0.000 0.985 -90 V HN 0.871 nan 8.190 nan 0.000 0.443 -89 G N 3.076 112.107 108.800 0.385 0.000 2.389 -89 G HA2 0.561 4.523 3.960 0.002 0.000 0.317 -89 G HA3 0.561 4.523 3.960 0.002 0.000 0.317 -89 G C -0.902 174.149 174.900 0.253 0.000 1.137 -89 G CA -0.464 44.847 45.100 0.351 0.000 0.870 -89 G HN 0.541 nan 8.290 nan 0.000 0.496 -88 V N 3.152 123.246 119.914 0.300 0.000 2.313 -88 V HA 0.172 4.294 4.120 0.002 0.000 0.278 -88 V C 0.154 176.338 176.094 0.151 0.000 1.017 -88 V CA -0.743 61.615 62.300 0.097 0.000 0.823 -88 V CB 0.977 32.721 31.823 -0.132 0.000 1.010 -88 V HN 0.691 nan 8.190 nan 0.000 0.443 -87 L N 6.023 127.310 121.223 0.107 0.000 2.559 -87 L HA 0.281 4.623 4.340 0.002 0.000 0.274 -87 L C 0.360 177.300 176.870 0.117 0.000 1.205 -87 L CA 1.325 56.237 54.840 0.121 0.000 0.907 -87 L CB 0.419 42.547 42.059 0.116 0.000 1.153 -87 L HN 0.731 nan 8.230 nan 0.000 0.490 -86 S N 3.339 119.116 115.700 0.128 0.000 2.599 -86 S HA 0.895 5.366 4.470 0.002 0.000 0.287 -86 S C -0.831 173.618 174.600 -0.252 0.000 1.105 -86 S CA -0.383 57.747 58.200 -0.117 0.000 0.899 -86 S CB 1.846 64.812 63.200 -0.391 0.000 1.100 -86 S HN 0.907 nan 8.310 nan 0.000 0.482 -85 A N 1.192 123.754 122.820 -0.430 0.000 2.291 -85 A HA 0.781 5.102 4.320 0.002 0.000 0.311 -85 A C 0.153 177.554 177.584 -0.306 0.000 1.224 -85 A CA -0.610 51.042 52.037 -0.642 0.000 0.821 -85 A CB 0.467 18.920 19.000 -0.912 0.000 1.172 -85 A HN 0.933 nan 8.150 nan 0.000 0.494 -84 G N 1.464 110.172 108.800 -0.154 0.000 2.388 -84 G HA2 0.561 4.522 3.960 0.002 0.000 0.330 -84 G HA3 0.561 4.522 3.960 0.002 0.000 0.330 -84 G C -0.520 174.417 174.900 0.063 0.000 1.142 -84 G CA -0.579 44.533 45.100 0.019 0.000 0.908 -84 G HN 0.687 nan 8.290 nan 0.000 0.473 -83 I N 1.959 122.588 120.570 0.098 0.000 2.342 -83 I HA 0.060 4.231 4.170 0.002 0.000 0.291 -83 I C 0.219 176.408 176.117 0.120 0.000 1.010 -83 I CA -0.825 60.530 61.300 0.092 0.000 1.308 -83 I CB 1.220 39.280 38.000 0.101 0.000 1.400 -83 I HN 0.344 nan 8.210 nan 0.000 0.488 -82 N N 5.013 123.781 118.700 0.113 0.000 2.447 -82 N HA 0.028 4.769 4.740 0.002 0.000 0.263 -82 N C 0.773 176.323 175.510 0.067 0.000 1.226 -82 N CA 0.373 53.508 53.050 0.143 0.000 0.906 -82 N CB 1.412 39.960 38.487 0.102 0.000 1.060 -82 N HN 0.744 nan 8.380 nan 0.000 0.468 -81 A N 4.299 127.153 122.820 0.056 0.000 1.902 -81 A HA -0.074 4.247 4.320 0.002 0.000 0.217 -81 A C 1.940 179.520 177.584 -0.007 0.000 1.181 -81 A CA 1.827 53.879 52.037 0.024 0.000 0.623 -81 A CB -0.866 18.143 19.000 0.016 0.000 0.818 -81 A HN 0.767 nan 8.150 nan 0.000 0.443 -80 A N -0.544 122.255 122.820 -0.036 0.000 2.168 -80 A HA 0.213 4.534 4.320 0.002 0.000 0.215 -80 A C 1.554 179.113 177.584 -0.042 0.000 1.152 -80 A CA 0.914 52.921 52.037 -0.051 0.000 0.716 -80 A CB -0.668 18.281 19.000 -0.085 0.000 0.794 -80 A HN 0.559 nan 8.150 nan 0.000 0.465 -79 S N 0.458 116.139 115.700 -0.030 0.000 2.549 -79 S HA 0.267 4.738 4.470 0.002 0.000 0.283 -79 S C -1.131 173.460 174.600 -0.014 0.000 1.320 -79 S CA -0.743 57.440 58.200 -0.027 0.000 1.058 -79 S CB 0.857 64.045 63.200 -0.019 0.000 0.882 -79 S HN 0.277 nan 8.310 nan 0.000 0.498 -78 P HA 0.133 nan 4.420 nan 0.000 0.245 -78 P C -0.062 177.240 177.300 0.003 0.000 1.203 -78 P CA 0.275 63.372 63.100 -0.006 0.000 0.792 -78 P CB 0.046 31.740 31.700 -0.010 0.000 0.997 -77 N N 0.623 119.324 118.700 0.002 0.000 2.389 -77 N HA 0.079 4.820 4.740 0.002 0.000 0.237 -77 N C 1.083 176.606 175.510 0.023 0.000 1.148 -77 N CA 0.023 53.081 53.050 0.013 0.000 0.854 -77 N CB 0.141 38.631 38.487 0.004 0.000 1.115 -77 N HN 0.264 nan 8.380 nan 0.000 0.492 -76 K N 1.211 121.626 120.400 0.026 0.000 1.991 -76 K HA -0.133 4.189 4.320 0.002 0.000 0.212 -76 K C 1.428 178.056 176.600 0.047 0.000 1.049 -76 K CA 1.247 57.556 56.287 0.037 0.000 0.932 -76 K CB 0.080 32.602 32.500 0.036 0.000 0.717 -76 K HN 0.279 nan 8.250 nan 0.000 0.441 -75 E N 0.841 121.069 120.200 0.046 0.000 2.153 -75 E HA -0.149 4.202 4.350 0.002 0.000 0.194 -75 E C 2.106 178.749 176.600 0.072 0.000 0.988 -75 E CA 0.673 57.105 56.400 0.053 0.000 0.811 -75 E CB -0.068 29.661 29.700 0.048 0.000 0.746 -75 E HN 0.215 nan 8.360 nan 0.000 0.466 -74 L N 0.552 121.824 121.223 0.081 0.000 2.017 -74 L HA -0.206 4.136 4.340 0.002 0.000 0.208 -74 L C 2.588 179.512 176.870 0.089 0.000 1.073 -74 L CA 1.206 56.123 54.840 0.129 0.000 0.745 -74 L CB -0.451 41.679 42.059 0.119 0.000 0.894 -74 L HN 0.139 nan 8.230 nan 0.000 0.432 -73 A N -0.224 122.619 122.820 0.038 0.000 1.883 -73 A HA -0.270 4.052 4.320 0.002 0.000 0.217 -73 A C 2.396 179.992 177.584 0.021 0.000 1.186 -73 A CA 2.003 54.048 52.037 0.015 0.000 0.624 -73 A CB -0.564 18.448 19.000 0.018 0.000 0.822 -73 A HN 0.308 nan 8.150 nan 0.000 0.444 -72 K N -0.159 120.249 120.400 0.013 0.000 2.034 -72 K HA -0.256 4.065 4.320 0.002 0.000 0.214 -72 K C 1.877 178.418 176.600 -0.098 0.000 1.051 -72 K CA 2.166 58.426 56.287 -0.046 0.000 0.931 -72 K CB -0.273 32.239 32.500 0.020 0.000 0.715 -72 K HN 0.635 nan 8.250 nan 0.000 0.446 -71 E N -0.594 119.612 120.200 0.010 0.000 2.204 -71 E HA -0.174 4.178 4.350 0.002 0.000 0.195 -71 E C 1.715 178.390 176.600 0.126 0.000 0.990 -71 E CA 1.077 57.529 56.400 0.087 0.000 0.821 -71 E CB -0.177 29.657 29.700 0.223 0.000 0.750 -71 E HN 0.378 nan 8.360 nan 0.000 0.477 -70 F N 0.905 120.700 119.950 -0.258 0.000 2.084 -70 F HA -0.135 4.393 4.527 0.002 0.000 0.296 -70 F C 1.730 177.411 175.800 -0.198 0.000 1.111 -70 F CA 1.218 58.902 58.000 -0.527 0.000 1.224 -70 F CB -0.007 38.452 39.000 -0.902 0.000 0.991 -70 F HN -0.102 nan 8.300 nan 0.000 0.471 -69 L N 0.230 121.234 121.223 -0.366 0.000 2.027 -69 L HA -0.146 4.195 4.340 0.002 0.000 0.206 -69 L C 2.490 179.110 176.870 -0.416 0.000 1.074 -69 L CA 1.571 56.117 54.840 -0.491 0.000 0.745 -69 L CB -0.870 40.869 42.059 -0.534 0.000 0.898 -69 L HN 0.165 nan 8.230 nan 0.000 0.433 -68 E N 0.213 120.155 120.200 -0.430 0.000 2.028 -68 E HA -0.151 4.200 4.350 0.002 0.000 0.191 -68 E C 1.802 178.348 176.600 -0.090 0.000 0.988 -68 E CA 1.185 57.379 56.400 -0.342 0.000 0.799 -68 E CB -0.100 29.215 29.700 -0.642 0.000 0.755 -68 E HN 0.502 nan 8.360 nan 0.000 0.447 -67 N N -0.602 118.030 118.700 -0.113 0.000 2.395 -67 N HA -0.039 4.702 4.740 0.002 0.000 0.175 -67 N C 1.192 176.498 175.510 -0.340 0.000 1.029 -67 N CA 0.921 53.868 53.050 -0.171 0.000 0.897 -67 N CB 0.103 38.490 38.487 -0.166 0.000 0.991 -67 N HN 0.237 nan 8.380 nan 0.000 0.441 -66 Y N -0.298 119.861 120.300 -0.235 0.000 2.594 -66 Y HA 0.233 4.784 4.550 0.002 0.000 0.283 -66 Y C 1.903 177.585 175.900 -0.363 0.000 1.140 -66 Y CA -0.288 57.655 58.100 -0.263 0.000 1.261 -66 Y CB -0.358 37.940 38.460 -0.271 0.000 1.358 -66 Y HN -0.131 nan 8.280 nan 0.000 0.513 -65 L N 0.191 121.152 121.223 -0.436 0.000 2.049 -65 L HA 0.099 4.440 4.340 0.002 0.000 0.203 -65 L C 0.607 177.362 176.870 -0.192 0.000 1.074 -65 L CA 1.651 56.260 54.840 -0.386 0.000 0.749 -65 L CB -0.506 41.238 42.059 -0.524 0.000 0.907 -65 L HN 0.081 nan 8.230 nan 0.000 0.439 -64 L N 1.944 123.086 121.223 -0.135 0.000 2.391 -64 L HA 0.241 4.583 4.340 0.002 0.000 0.249 -64 L C -0.655 176.189 176.870 -0.044 0.000 1.308 -64 L CA -0.104 54.711 54.840 -0.042 0.000 1.209 -64 L CB -1.228 40.887 42.059 0.093 0.000 1.401 -64 L HN 0.358 nan 8.230 nan 0.000 0.416 -63 T N -4.934 109.557 114.554 -0.104 0.000 2.802 -63 T HA 0.201 4.553 4.350 0.002 0.000 0.311 -63 T C 0.336 174.939 174.700 -0.160 0.000 1.405 -63 T CA -0.923 61.117 62.100 -0.100 0.000 1.016 -63 T CB 1.714 70.527 68.868 -0.092 0.000 1.352 -63 T HN -0.014 nan 8.240 nan 0.000 0.498 -62 D N 0.901 121.235 120.400 -0.111 0.000 2.133 -62 D HA -0.148 4.493 4.640 0.002 0.000 0.192 -62 D C 1.718 177.884 176.300 -0.222 0.000 1.001 -62 D CA 1.914 55.841 54.000 -0.122 0.000 0.844 -62 D CB -0.015 40.807 40.800 0.037 0.000 0.944 -62 D HN 0.722 nan 8.370 nan 0.000 0.447 -61 E N 0.067 120.195 120.200 -0.120 0.000 2.072 -61 E HA 0.028 4.380 4.350 0.002 0.000 0.190 -61 E C 2.279 178.804 176.600 -0.124 0.000 0.982 -61 E CA 1.069 57.416 56.400 -0.088 0.000 0.803 -61 E CB -0.790 28.892 29.700 -0.030 0.000 0.755 -61 E HN 0.306 nan 8.360 nan 0.000 0.453 -60 G N 0.979 109.700 108.800 -0.131 0.000 2.440 -60 G HA2 -0.242 3.720 3.960 0.002 0.000 0.218 -60 G HA3 -0.242 3.720 3.960 0.002 0.000 0.218 -60 G C 1.505 176.297 174.900 -0.180 0.000 1.154 -60 G CA 0.736 45.759 45.100 -0.129 0.000 0.767 -60 G HN 0.160 nan 8.290 nan 0.000 0.552 -59 L N -0.333 120.704 121.223 -0.309 0.000 2.270 -59 L HA 0.114 4.455 4.340 0.002 0.000 0.210 -59 L C 2.660 179.278 176.870 -0.419 0.000 1.104 -59 L CA 0.746 55.356 54.840 -0.384 0.000 0.804 -59 L CB -0.229 41.512 42.059 -0.531 0.000 0.937 -59 L HN 0.322 nan 8.230 nan 0.000 0.450 -58 E N 0.620 120.527 120.200 -0.489 0.000 2.077 -58 E HA -0.232 4.120 4.350 0.002 0.000 0.193 -58 E C 2.229 178.807 176.600 -0.036 0.000 0.989 -58 E CA 1.246 57.547 56.400 -0.166 0.000 0.800 -58 E CB 0.073 29.739 29.700 -0.056 0.000 0.746 -58 E HN 0.445 nan 8.360 nan 0.000 0.452 -57 A N 0.266 123.049 122.820 -0.061 0.000 1.877 -57 A HA -0.171 4.151 4.320 0.002 0.000 0.216 -57 A C 2.394 179.965 177.584 -0.021 0.000 1.186 -57 A CA 1.713 53.736 52.037 -0.023 0.000 0.620 -57 A CB -0.748 18.241 19.000 -0.018 0.000 0.822 -57 A HN 0.216 nan 8.150 nan 0.000 0.443 -56 V N 0.492 120.382 119.914 -0.040 0.000 2.307 -56 V HA -0.249 3.873 4.120 0.002 0.000 0.245 -56 V C 2.348 178.447 176.094 0.009 0.000 1.045 -56 V CA 2.291 64.570 62.300 -0.034 0.000 1.024 -56 V CB -1.243 30.549 31.823 -0.053 0.000 0.651 -56 V HN 0.709 nan 8.190 nan 0.000 0.449 -55 N N 0.104 118.830 118.700 0.043 0.000 2.223 -55 N HA -0.170 4.571 4.740 0.002 0.000 0.185 -55 N C 1.851 177.430 175.510 0.114 0.000 1.016 -55 N CA 1.110 54.231 53.050 0.118 0.000 0.863 -55 N CB -0.122 38.498 38.487 0.221 0.000 0.983 -55 N HN 0.309 nan 8.380 nan 0.000 0.429 -54 K N 0.125 120.575 120.400 0.083 0.000 2.097 -54 K HA -0.156 4.165 4.320 0.002 0.000 0.206 -54 K C 1.244 177.872 176.600 0.048 0.000 1.049 -54 K CA 1.292 57.621 56.287 0.070 0.000 0.933 -54 K CB -0.282 32.246 32.500 0.047 0.000 0.717 -54 K HN 0.336 nan 8.250 nan 0.000 0.442 -53 D N 0.313 120.722 120.400 0.016 0.000 2.087 -53 D HA -0.046 4.596 4.640 0.002 0.000 0.201 -53 D C -0.071 176.236 176.300 0.011 0.000 0.980 -53 D CA 1.370 55.356 54.000 -0.023 0.000 0.849 -53 D CB 0.405 41.153 40.800 -0.087 0.000 1.001 -53 D HN -0.140 nan 8.370 nan 0.000 0.452 -52 K N 0.306 120.725 120.400 0.032 0.000 2.482 -52 K HA 0.403 4.724 4.320 0.002 0.000 0.251 -52 K C -2.668 173.990 176.600 0.096 0.000 0.936 -52 K CA -2.177 54.159 56.287 0.081 0.000 0.791 -52 K CB 1.868 34.424 32.500 0.094 0.000 1.213 -52 K HN -0.034 nan 8.250 nan 0.000 0.428 -51 P HA 0.104 nan 4.420 nan 0.000 0.265 -51 P C 0.555 177.883 177.300 0.047 0.000 1.193 -51 P CA 0.009 63.184 63.100 0.124 0.000 0.765 -51 P CB 0.578 32.407 31.700 0.216 0.000 0.823 -50 L N 1.791 123.072 121.223 0.096 0.000 2.446 -50 L HA 0.195 4.536 4.340 0.002 0.000 0.219 -50 L C 1.446 178.361 176.870 0.074 0.000 1.116 -50 L CA 0.963 55.861 54.840 0.097 0.000 0.844 -50 L CB -0.706 41.426 42.059 0.123 0.000 0.970 -50 L HN 0.745 nan 8.230 nan 0.000 0.457 -49 G N 0.006 108.830 108.800 0.041 0.000 2.508 -49 G HA2 -0.182 3.780 3.960 0.002 0.000 0.220 -49 G HA3 -0.182 3.780 3.960 0.002 0.000 0.220 -49 G C -0.234 174.741 174.900 0.125 0.000 1.287 -49 G CA -0.418 44.714 45.100 0.053 0.000 0.916 -49 G HN 0.374 nan 8.290 nan 0.000 0.574 -48 A N 0.119 123.007 122.820 0.112 0.000 2.347 -48 A HA 0.697 5.019 4.320 0.002 0.000 0.287 -48 A C 1.040 178.699 177.584 0.126 0.000 1.199 -48 A CA 0.579 52.683 52.037 0.112 0.000 0.851 -48 A CB -0.106 18.940 19.000 0.077 0.000 1.118 -48 A HN 2.303 nan 8.150 nan 0.000 0.525 -47 V N 0.422 120.435 119.914 0.165 0.000 3.133 -47 V HA 0.575 4.696 4.120 0.002 0.000 0.305 -47 V C 1.143 177.345 176.094 0.180 0.000 1.084 -47 V CA 0.250 62.653 62.300 0.171 0.000 1.089 -47 V CB 0.875 32.840 31.823 0.237 0.000 1.073 -47 V HN 1.133 nan 8.190 nan 0.000 0.477 -46 A N 1.951 124.841 122.820 0.117 0.000 2.238 -46 A HA 0.381 4.703 4.320 0.002 0.000 0.210 -46 A C 0.931 178.498 177.584 -0.028 0.000 1.179 -46 A CA 0.125 52.231 52.037 0.115 0.000 0.827 -46 A CB -0.382 18.591 19.000 -0.046 0.000 0.856 -46 A HN 0.925 nan 8.150 nan 0.000 0.488 -45 L N 0.918 122.119 121.223 -0.036 0.000 2.342 -45 L HA 0.237 4.578 4.340 0.002 0.000 0.285 -45 L C 1.088 177.853 176.870 -0.175 0.000 1.095 -45 L CA 0.017 54.779 54.840 -0.130 0.000 0.843 -45 L CB 0.238 42.274 42.059 -0.038 0.000 1.201 -45 L HN 0.253 nan 8.230 nan 0.000 0.445 -44 K N 1.568 121.697 120.400 -0.452 0.000 2.032 -44 K HA -0.266 4.056 4.320 0.002 0.000 0.218 -44 K C 2.018 178.538 176.600 -0.133 0.000 1.054 -44 K CA 2.227 58.224 56.287 -0.483 0.000 0.941 -44 K CB -0.310 31.892 32.500 -0.496 0.000 0.720 -44 K HN 0.916 nan 8.250 nan 0.000 0.449 -43 S N 0.416 116.067 115.700 -0.081 0.000 2.365 -43 S HA -0.256 4.216 4.470 0.002 0.000 0.225 -43 S C 2.099 176.746 174.600 0.078 0.000 1.039 -43 S CA 1.508 59.709 58.200 0.002 0.000 1.033 -43 S CB -0.764 62.441 63.200 0.007 0.000 0.887 -43 S HN 0.396 nan 8.310 nan 0.000 0.447 -42 Y N 2.273 122.554 120.300 -0.031 0.000 2.337 -42 Y HA 0.147 4.698 4.550 0.002 0.000 0.293 -42 Y C 2.473 178.391 175.900 0.029 0.000 1.123 -42 Y CA 1.311 59.411 58.100 0.001 0.000 1.201 -42 Y CB -0.432 38.029 38.460 0.001 0.000 1.011 -42 Y HN 0.335 nan 8.280 nan 0.000 0.545 -41 E N 0.576 120.816 120.200 0.068 0.000 2.153 -41 E HA -0.174 4.177 4.350 0.002 0.000 0.194 -41 E C 1.819 178.422 176.600 0.006 0.000 0.988 -41 E CA 1.570 58.004 56.400 0.058 0.000 0.811 -41 E CB -0.164 29.680 29.700 0.240 0.000 0.746 -41 E HN 0.404 nan 8.360 nan 0.000 0.466 -40 E N 0.705 120.911 120.200 0.011 0.000 2.118 -40 E HA -0.211 4.140 4.350 0.002 0.000 0.195 -40 E C 1.916 178.483 176.600 -0.056 0.000 0.992 -40 E CA 1.285 57.684 56.400 -0.001 0.000 0.804 -40 E CB -0.145 29.558 29.700 0.005 0.000 0.741 -40 E HN 0.562 nan 8.360 nan 0.000 0.458 -39 E N 0.552 120.672 120.200 -0.133 0.000 2.021 -39 E HA -0.023 4.329 4.350 0.002 0.000 0.189 -39 E C 2.411 178.891 176.600 -0.201 0.000 0.980 -39 E CA 0.291 56.581 56.400 -0.184 0.000 0.803 -39 E CB -0.174 29.362 29.700 -0.275 0.000 0.766 -39 E HN 0.141 nan 8.360 nan 0.000 0.449 -38 L N 1.075 122.117 121.223 -0.301 0.000 2.129 -38 L HA -0.246 4.095 4.340 0.002 0.000 0.212 -38 L C 2.579 179.408 176.870 -0.068 0.000 1.087 -38 L CA 0.817 55.548 54.840 -0.182 0.000 0.757 -38 L CB -0.551 41.414 42.059 -0.155 0.000 0.896 -38 L HN 0.179 nan 8.230 nan 0.000 0.434 -37 A N 1.161 123.950 122.820 -0.052 0.000 1.927 -37 A HA -0.264 4.057 4.320 0.002 0.000 0.220 -37 A C 2.223 179.792 177.584 -0.026 0.000 1.185 -37 A CA 2.262 54.287 52.037 -0.020 0.000 0.639 -37 A CB -0.448 18.547 19.000 -0.009 0.000 0.820 -37 A HN 0.593 nan 8.150 nan 0.000 0.451 -36 K N -0.171 120.206 120.400 -0.039 0.000 2.366 -36 K HA -0.051 4.271 4.320 0.002 0.000 0.198 -36 K C 0.053 176.626 176.600 -0.046 0.000 1.044 -36 K CA 0.623 56.886 56.287 -0.039 0.000 0.973 -36 K CB -0.452 32.025 32.500 -0.040 0.000 0.767 -36 K HN 0.351 nan 8.250 nan 0.000 0.475 -35 D N 3.355 123.727 120.400 -0.047 0.000 2.412 -35 D HA -0.001 4.641 4.640 0.002 0.000 0.257 -35 D C -1.290 174.968 176.300 -0.070 0.000 1.217 -35 D CA -2.007 51.959 54.000 -0.058 0.000 0.897 -35 D CB 1.187 41.967 40.800 -0.034 0.000 1.132 -35 D HN -0.010 nan 8.370 nan 0.000 0.493 -34 P HA -0.136 nan 4.420 nan 0.000 0.222 -34 P C 0.880 178.100 177.300 -0.134 0.000 1.147 -34 P CA 0.907 63.943 63.100 -0.106 0.000 0.790 -34 P CB 0.296 31.921 31.700 -0.126 0.000 0.780 -33 R N -0.655 119.717 120.500 -0.213 0.000 2.093 -33 R HA 0.043 4.384 4.340 0.002 0.000 0.224 -33 R C 2.338 178.603 176.300 -0.059 0.000 1.101 -33 R CA 0.767 56.671 56.100 -0.327 0.000 0.979 -33 R CB -0.558 29.236 30.300 -0.842 0.000 0.877 -33 R HN 0.154 nan 8.270 nan 0.000 0.441 -32 I N 1.276 121.875 120.570 0.049 0.000 2.394 -32 I HA -0.170 4.002 4.170 0.002 0.000 0.251 -32 I C 2.519 178.687 176.117 0.085 0.000 1.136 -32 I CA 1.126 62.521 61.300 0.158 0.000 1.425 -32 I CB -1.341 36.733 38.000 0.123 0.000 1.079 -32 I HN 0.125 nan 8.210 nan 0.000 0.425 -31 A N 1.157 123.993 122.820 0.026 0.000 1.908 -31 A HA -0.169 4.152 4.320 0.002 0.000 0.218 -31 A C 2.572 180.171 177.584 0.024 0.000 1.181 -31 A CA 2.288 54.331 52.037 0.011 0.000 0.627 -31 A CB -0.729 18.262 19.000 -0.015 0.000 0.818 -31 A HN 0.424 nan 8.150 nan 0.000 0.445 -30 A N -1.708 121.128 122.820 0.027 0.000 1.929 -30 A HA 0.016 4.337 4.320 0.002 0.000 0.216 -30 A C 2.285 179.916 177.584 0.079 0.000 1.176 -30 A CA 2.050 54.112 52.037 0.042 0.000 0.628 -30 A CB -1.165 17.853 19.000 0.030 0.000 0.816 -30 A HN 0.406 nan 8.150 nan 0.000 0.444 -29 T N 0.201 114.835 114.554 0.133 0.000 2.635 -29 T HA -0.174 4.178 4.350 0.002 0.000 0.267 -29 T C 1.962 176.716 174.700 0.091 0.000 1.040 -29 T CA 1.856 64.045 62.100 0.148 0.000 1.156 -29 T CB -0.273 68.734 68.868 0.232 0.000 0.863 -29 T HN 0.281 nan 8.240 nan 0.000 0.430 -28 M N 0.850 120.496 119.600 0.077 0.000 2.296 -28 M HA 0.016 4.497 4.480 0.002 0.000 0.265 -28 M C 2.250 178.570 176.300 0.033 0.000 1.064 -28 M CA 1.111 56.439 55.300 0.048 0.000 1.109 -28 M CB -0.895 31.723 32.600 0.030 0.000 1.396 -28 M HN 0.374 nan 8.290 nan 0.000 0.430 -27 E N 0.227 120.447 120.200 0.033 0.000 2.152 -27 E HA -0.161 4.190 4.350 0.002 0.000 0.192 -27 E C 1.652 178.269 176.600 0.027 0.000 0.983 -27 E CA 0.677 57.090 56.400 0.022 0.000 0.818 -27 E CB 0.203 29.913 29.700 0.017 0.000 0.758 -27 E HN 0.457 nan 8.360 nan 0.000 0.467 -26 N N 0.559 119.283 118.700 0.039 0.000 2.106 -26 N HA -0.118 4.624 4.740 0.002 0.000 0.188 -26 N C 1.786 177.323 175.510 0.044 0.000 1.029 -26 N CA 1.230 54.303 53.050 0.040 0.000 0.848 -26 N CB -0.289 38.224 38.487 0.044 0.000 1.007 -26 N HN 0.144 nan 8.380 nan 0.000 0.423 -25 A N 0.932 123.785 122.820 0.055 0.000 1.948 -25 A HA -0.219 4.102 4.320 0.002 0.000 0.220 -25 A C 2.203 179.818 177.584 0.051 0.000 1.177 -25 A CA 1.606 53.684 52.037 0.068 0.000 0.636 -25 A CB -0.637 18.407 19.000 0.073 0.000 0.815 -25 A HN 0.271 nan 8.150 nan 0.000 0.449 -24 Q N 0.020 119.839 119.800 0.032 0.000 2.124 -24 Q HA -0.138 4.204 4.340 0.002 0.000 0.202 -24 Q C 1.894 177.903 176.000 0.015 0.000 0.977 -24 Q CA 1.810 57.623 55.803 0.017 0.000 0.850 -24 Q CB -0.069 28.673 28.738 0.007 0.000 0.901 -24 Q HN 0.628 nan 8.270 nan 0.000 0.429 -23 K N -0.652 119.758 120.400 0.018 0.000 2.155 -23 K HA 0.079 4.400 4.320 0.002 0.000 0.203 -23 K C 1.138 177.742 176.600 0.007 0.000 1.052 -23 K CA 0.916 57.209 56.287 0.010 0.000 0.948 -23 K CB -0.360 32.148 32.500 0.013 0.000 0.728 -23 K HN 0.241 nan 8.250 nan 0.000 0.448 -22 G N 1.151 109.964 108.800 0.022 0.000 2.543 -22 G HA2 0.251 4.212 3.960 0.002 0.000 0.267 -22 G HA3 0.251 4.212 3.960 0.002 0.000 0.267 -22 G C -0.635 174.291 174.900 0.043 0.000 1.406 -22 G CA -0.469 44.643 45.100 0.020 0.000 1.048 -22 G HN 0.012 nan 8.290 nan 0.000 0.548 -21 E N -1.149 119.092 120.200 0.068 0.000 2.277 -21 E HA 0.344 4.695 4.350 0.002 0.000 0.266 -21 E C -0.901 175.897 176.600 0.330 0.000 0.901 -21 E CA -0.762 55.724 56.400 0.145 0.000 0.782 -21 E CB 3.010 32.776 29.700 0.109 0.000 1.228 -21 E HN 0.335 nan 8.360 nan 0.000 0.424 -20 I N 1.676 122.433 120.570 0.312 0.000 2.634 -20 I HA 0.073 4.244 4.170 0.002 0.000 0.284 -20 I C 0.232 176.668 176.117 0.532 0.000 1.124 -20 I CA -0.122 61.406 61.300 0.380 0.000 1.417 -20 I CB 0.523 38.653 38.000 0.218 0.000 1.396 -20 I HN 0.463 nan 8.210 nan 0.000 0.571 -19 M N 8.421 128.325 119.600 0.505 0.000 2.249 -19 M HA 0.182 4.663 4.480 0.002 0.000 0.340 -19 M C -2.182 174.196 176.300 0.130 0.000 1.166 -19 M CA -1.117 54.218 55.300 0.059 0.000 1.115 -19 M CB 0.273 32.787 32.600 -0.143 0.000 1.606 -19 M HN 0.340 nan 8.290 nan 0.000 0.448 -18 P HA 0.105 nan 4.420 nan 0.000 0.275 -18 P C -0.835 176.377 177.300 -0.145 0.000 1.228 -18 P CA -0.287 62.718 63.100 -0.158 0.000 0.786 -18 P CB 0.353 31.639 31.700 -0.690 0.000 0.927 -17 N N 2.917 121.635 118.700 0.030 0.000 2.453 -17 N HA 0.071 4.812 4.740 0.002 0.000 0.270 -17 N C 0.083 175.642 175.510 0.083 0.000 1.195 -17 N CA -0.411 52.652 53.050 0.023 0.000 0.902 -17 N CB -0.714 37.872 38.487 0.164 0.000 1.186 -17 N HN 0.374 nan 8.380 nan 0.000 0.510 -16 I N -3.208 117.362 120.570 -0.000 0.000 2.886 -16 I HA 0.392 4.563 4.170 0.002 0.000 0.299 -16 I C -1.648 174.451 176.117 -0.030 0.000 1.044 -16 I CA -2.064 59.256 61.300 0.033 0.000 1.310 -16 I CB 0.623 38.556 38.000 -0.110 0.000 1.441 -16 I HN -0.284 nan 8.210 nan 0.000 0.578 -15 P HA -0.053 nan 4.420 nan 0.000 0.222 -15 P C 1.001 178.275 177.300 -0.042 0.000 1.153 -15 P CA 1.008 64.084 63.100 -0.039 0.000 0.798 -15 P CB 0.060 31.756 31.700 -0.006 0.000 0.796 -14 Q N -1.596 118.153 119.800 -0.086 0.000 2.500 -14 Q HA -0.025 4.316 4.340 0.002 0.000 0.213 -14 Q C 1.875 177.946 176.000 0.118 0.000 0.974 -14 Q CA 0.924 56.702 55.803 -0.042 0.000 0.918 -14 Q CB -0.751 27.835 28.738 -0.254 0.000 0.980 -14 Q HN 0.191 nan 8.270 nan 0.000 0.505 -13 M N -0.369 119.256 119.600 0.042 0.000 2.132 -13 M HA -0.128 4.353 4.480 0.002 0.000 0.263 -13 M C 2.070 178.437 176.300 0.111 0.000 1.065 -13 M CA 1.822 57.138 55.300 0.027 0.000 1.122 -13 M CB -1.077 31.453 32.600 -0.116 0.000 1.365 -13 M HN 0.340 nan 8.290 nan 0.000 0.411 -12 S N 0.439 116.219 115.700 0.133 0.000 2.383 -12 S HA -0.087 4.384 4.470 0.002 0.000 0.229 -12 S C 2.098 176.818 174.600 0.200 0.000 1.030 -12 S CA 1.257 59.570 58.200 0.188 0.000 1.002 -12 S CB -0.761 62.483 63.200 0.074 0.000 0.829 -12 S HN 0.436 nan 8.310 nan 0.000 0.467 -11 A N 1.737 124.653 122.820 0.160 0.000 1.858 -11 A HA 0.058 4.379 4.320 0.002 0.000 0.216 -11 A C 1.968 179.682 177.584 0.216 0.000 1.190 -11 A CA 1.477 53.623 52.037 0.183 0.000 0.617 -11 A CB -1.234 17.860 19.000 0.157 0.000 0.827 -11 A HN 0.588 nan 8.150 nan 0.000 0.443 -10 F N -0.787 119.174 119.950 0.019 0.000 2.091 -10 F HA -0.249 4.280 4.527 0.003 0.000 0.299 -10 F C 2.100 177.807 175.800 -0.155 0.000 1.103 -10 F CA 1.967 59.849 58.000 -0.197 0.000 1.228 -10 F CB -0.563 38.133 39.000 -0.506 0.000 0.984 -10 F HN 0.423 nan 8.300 nan 0.000 0.477 -9 W N -0.993 120.233 121.300 -0.125 0.000 2.335 -9 W HA -0.265 4.397 4.660 0.003 0.000 0.311 -9 W C 2.584 179.002 176.519 -0.168 0.000 1.213 -9 W CA 1.376 58.591 57.345 -0.215 0.000 1.274 -9 W CB -0.915 28.554 29.460 0.015 0.000 1.148 -9 W HN 0.258 nan 8.180 nan 0.000 0.498 -8 Y N 0.993 121.362 120.300 0.115 0.000 2.181 -8 Y HA -0.210 4.341 4.550 0.002 0.000 0.288 -8 Y C 2.273 178.158 175.900 -0.025 0.000 1.146 -8 Y CA 2.000 60.127 58.100 0.046 0.000 1.164 -8 Y CB -0.895 37.593 38.460 0.047 0.000 0.982 -8 Y HN -0.088 nan 8.280 nan 0.000 0.515 -7 A N -0.254 122.522 122.820 -0.074 0.000 1.948 -7 A HA -0.196 4.125 4.320 0.002 0.000 0.220 -7 A C 2.238 179.652 177.584 -0.283 0.000 1.177 -7 A CA 2.345 54.263 52.037 -0.199 0.000 0.636 -7 A CB -1.277 17.659 19.000 -0.108 0.000 0.815 -7 A HN 0.395 nan 8.150 nan 0.000 0.449 -6 V N -0.698 119.017 119.914 -0.333 0.000 2.500 -6 V HA -0.110 4.011 4.120 0.002 0.000 0.243 -6 V C 2.519 178.555 176.094 -0.096 0.000 1.039 -6 V CA 1.533 63.696 62.300 -0.229 0.000 1.053 -6 V CB -0.730 30.890 31.823 -0.339 0.000 0.695 -6 V HN 0.597 nan 8.190 nan 0.000 0.463 -5 R N 0.412 120.862 120.500 -0.085 0.000 2.094 -5 R HA -0.213 4.129 4.340 0.002 0.000 0.239 -5 R C 2.366 178.602 176.300 -0.107 0.000 1.137 -5 R CA 2.431 58.507 56.100 -0.041 0.000 0.943 -5 R CB -0.702 29.587 30.300 -0.019 0.000 0.850 -5 R HN 0.543 nan 8.270 nan 0.000 0.433 -4 T N 0.861 115.262 114.554 -0.255 0.000 2.597 -4 T HA -0.259 4.092 4.350 0.002 0.000 0.267 -4 T C 1.850 176.478 174.700 -0.121 0.000 1.053 -4 T CA 2.005 63.962 62.100 -0.239 0.000 1.165 -4 T CB -0.557 68.084 68.868 -0.379 0.000 0.863 -4 T HN 0.521 nan 8.240 nan 0.000 0.427 -3 A N 0.891 123.647 122.820 -0.106 0.000 1.865 -3 A HA -0.100 4.222 4.320 0.002 0.000 0.217 -3 A C 2.657 180.234 177.584 -0.012 0.000 1.191 -3 A CA 1.975 53.984 52.037 -0.047 0.000 0.623 -3 A CB -1.170 17.810 19.000 -0.033 0.000 0.826 -3 A HN 0.368 nan 8.150 nan 0.000 0.444 -2 V N 0.113 120.034 119.914 0.012 0.000 2.343 -2 V HA -0.272 3.850 4.120 0.002 0.000 0.247 -2 V C 2.420 178.528 176.094 0.023 0.000 1.051 -2 V CA 1.966 64.291 62.300 0.042 0.000 1.036 -2 V CB -0.774 31.108 31.823 0.099 0.000 0.654 -2 V HN 0.554 nan 8.190 nan 0.000 0.451 -1 I N 0.479 121.054 120.570 0.008 0.000 2.127 -1 I HA -0.248 3.923 4.170 0.002 0.000 0.241 -1 I C 2.469 178.581 176.117 -0.008 0.000 1.075 -1 I CA 1.697 62.997 61.300 -0.000 0.000 1.334 -1 I CB -0.488 37.506 38.000 -0.010 0.000 1.040 -1 I HN 0.353 nan 8.210 nan 0.000 0.405 0 N N 1.051 119.742 118.700 -0.016 0.000 2.120 0 N HA -0.147 4.594 4.740 0.002 0.000 0.188 0 N C 1.838 177.343 175.510 -0.009 0.000 1.024 0 N CA 1.686 54.727 53.050 -0.015 0.000 0.852 0 N CB -0.500 37.975 38.487 -0.020 0.000 1.003 0 N HN 0.372 nan 8.380 nan 0.000 0.424 1 A N 0.815 123.632 122.820 -0.005 0.000 1.933 1 A HA 0.041 4.362 4.320 0.002 0.000 0.218 1 A C 2.351 179.931 177.584 -0.006 0.000 1.175 1 A CA 1.893 53.928 52.037 -0.003 0.000 0.628 1 A CB -0.829 18.172 19.000 0.002 0.000 0.814 1 A HN 0.320 nan 8.150 nan 0.000 0.444 2 A N 0.426 123.243 122.820 -0.006 0.000 1.877 2 A HA -0.113 4.208 4.320 0.002 0.000 0.216 2 A C 2.494 180.067 177.584 -0.017 0.000 1.186 2 A CA 2.430 54.459 52.037 -0.013 0.000 0.620 2 A CB -1.038 17.955 19.000 -0.011 0.000 0.822 2 A HN 1.034 nan 8.150 nan 0.000 0.443 3 S N -1.994 113.698 115.700 -0.014 0.000 2.481 3 S HA 0.306 4.777 4.470 0.002 0.000 0.231 3 S C 1.598 176.189 174.600 -0.014 0.000 0.996 3 S CA 1.281 59.472 58.200 -0.015 0.000 0.942 3 S CB -0.336 62.856 63.200 -0.013 0.000 0.768 3 S HN 1.994 nan 8.310 nan 0.000 0.520 4 G N 1.610 110.403 108.800 -0.012 0.000 2.195 4 G HA2 -0.289 3.672 3.960 0.002 0.000 0.246 4 G HA3 -0.289 3.672 3.960 0.002 0.000 0.246 4 G C 1.009 175.905 174.900 -0.008 0.000 0.984 4 G CA 0.249 45.343 45.100 -0.010 0.000 0.633 4 G HN 0.358 nan 8.290 nan 0.000 0.525 5 R N 0.152 120.647 120.500 -0.008 0.000 2.153 5 R HA -0.100 4.241 4.340 0.002 0.000 0.252 5 R C 1.129 177.426 176.300 -0.005 0.000 1.158 5 R CA 1.866 57.961 56.100 -0.007 0.000 0.975 5 R CB -0.152 30.143 30.300 -0.008 0.000 0.871 5 R HN 0.683 nan 8.270 nan 0.000 0.450 6 Q N -1.047 118.751 119.800 -0.004 0.000 2.416 6 Q HA 0.199 4.540 4.340 0.002 0.000 0.281 6 Q C -0.918 175.083 176.000 0.001 0.000 1.067 6 Q CA -0.505 55.298 55.803 -0.001 0.000 0.809 6 Q CB 2.681 31.418 28.738 -0.001 0.000 1.418 6 Q HN 0.090 nan 8.270 nan 0.000 0.411 7 T N -1.936 112.621 114.554 0.005 0.000 2.913 7 T HA 0.176 4.527 4.350 0.002 0.000 0.297 7 T C 1.433 176.140 174.700 0.010 0.000 1.029 7 T CA -0.700 61.404 62.100 0.008 0.000 1.104 7 T CB 0.820 69.694 68.868 0.011 0.000 0.964 7 T HN 0.357 nan 8.240 nan 0.000 0.532 8 V N 2.125 122.046 119.914 0.012 0.000 2.233 8 V HA -0.289 3.832 4.120 0.002 0.000 0.252 8 V C 2.422 178.526 176.094 0.017 0.000 1.063 8 V CA 2.471 64.780 62.300 0.014 0.000 1.032 8 V CB -0.995 30.839 31.823 0.018 0.000 0.645 8 V HN 0.910 nan 8.190 nan 0.000 0.446 9 D N -0.490 119.922 120.400 0.020 0.000 2.172 9 D HA -0.189 4.453 4.640 0.002 0.000 0.196 9 D C 2.190 178.504 176.300 0.022 0.000 0.999 9 D CA 1.626 55.640 54.000 0.023 0.000 0.856 9 D CB -0.250 40.565 40.800 0.024 0.000 0.934 9 D HN 0.638 nan 8.370 nan 0.000 0.453 10 E N 0.211 120.422 120.200 0.018 0.000 2.046 10 E HA -0.047 4.305 4.350 0.002 0.000 0.190 10 E C 2.188 178.796 176.600 0.014 0.000 0.982 10 E CA 0.917 57.328 56.400 0.018 0.000 0.800 10 E CB -0.119 29.590 29.700 0.014 0.000 0.756 10 E HN 0.241 nan 8.360 nan 0.000 0.449 11 A N 1.259 124.084 122.820 0.009 0.000 1.933 11 A HA -0.148 4.174 4.320 0.002 0.000 0.218 11 A C 2.167 179.752 177.584 0.002 0.000 1.175 11 A CA 1.061 53.099 52.037 0.001 0.000 0.628 11 A CB -0.514 18.485 19.000 -0.002 0.000 0.814 11 A HN 0.129 nan 8.150 nan 0.000 0.444 12 L N -1.401 119.829 121.223 0.012 0.000 2.131 12 L HA -0.083 4.258 4.340 0.002 0.000 0.206 12 L C 2.566 179.448 176.870 0.020 0.000 1.087 12 L CA 1.450 56.300 54.840 0.017 0.000 0.767 12 L CB -0.366 41.708 42.059 0.025 0.000 0.917 12 L HN 0.401 nan 8.230 nan 0.000 0.441 13 K N 0.388 120.802 120.400 0.025 0.000 2.057 13 K HA -0.197 4.125 4.320 0.002 0.000 0.207 13 K C 1.540 178.161 176.600 0.035 0.000 1.049 13 K CA 1.763 58.070 56.287 0.033 0.000 0.931 13 K CB 0.100 32.622 32.500 0.036 0.000 0.714 13 K HN 0.201 nan 8.250 nan 0.000 0.440 14 D N 0.068 120.485 120.400 0.027 0.000 2.144 14 D HA -0.122 4.519 4.640 0.002 0.000 0.200 14 D C 1.680 177.991 176.300 0.017 0.000 0.978 14 D CA 1.281 55.297 54.000 0.027 0.000 0.833 14 D CB -0.162 40.646 40.800 0.014 0.000 0.961 14 D HN 0.306 nan 8.370 nan 0.000 0.470 15 A N 0.653 123.472 122.820 -0.002 0.000 1.902 15 A HA -0.247 4.075 4.320 0.002 0.000 0.217 15 A C 2.130 179.715 177.584 0.001 0.000 1.181 15 A CA 1.892 53.914 52.037 -0.025 0.000 0.623 15 A CB -0.691 18.286 19.000 -0.038 0.000 0.818 15 A HN 0.181 nan 8.150 nan 0.000 0.443 16 Q N -0.061 119.751 119.800 0.020 0.000 2.030 16 Q HA -0.151 4.191 4.340 0.002 0.000 0.204 16 Q C 1.951 177.984 176.000 0.056 0.000 0.986 16 Q CA 2.910 58.735 55.803 0.035 0.000 0.843 16 Q CB -1.299 27.462 28.738 0.039 0.000 0.904 16 Q HN 0.493 nan 8.270 nan 0.000 0.420 17 T N 1.174 115.763 114.554 0.059 0.000 2.684 17 T HA -0.134 4.217 4.350 0.002 0.000 0.267 17 T C 1.512 176.256 174.700 0.073 0.000 1.036 17 T CA 1.479 63.622 62.100 0.072 0.000 1.148 17 T CB -0.385 68.531 68.868 0.079 0.000 0.863 17 T HN 0.368 nan 8.240 nan 0.000 0.436 18 N N 1.285 120.030 118.700 0.075 0.000 2.080 18 N HA 0.018 4.759 4.740 0.002 0.000 0.189 18 N C 2.126 177.707 175.510 0.119 0.000 1.036 18 N CA 1.418 54.533 53.050 0.107 0.000 0.846 18 N CB -0.759 37.800 38.487 0.121 0.000 1.015 18 N HN 0.415 nan 8.380 nan 0.000 0.423 19 A N 0.794 123.673 122.820 0.099 0.000 1.902 19 A HA 0.042 4.364 4.320 0.002 0.000 0.217 19 A C 2.270 179.984 177.584 0.218 0.000 1.181 19 A CA 1.978 54.104 52.037 0.148 0.000 0.623 19 A CB -0.869 18.183 19.000 0.086 0.000 0.818 19 A HN 0.324 nan 8.150 nan 0.000 0.443 20 A N -1.453 121.465 122.820 0.164 0.000 2.015 20 A HA 0.359 4.681 4.320 0.002 0.000 0.219 20 A C 1.681 179.326 177.584 0.102 0.000 1.163 20 A CA 1.468 53.602 52.037 0.163 0.000 0.646 20 A CB -0.891 18.182 19.000 0.122 0.000 0.806 20 A HN 2.138 nan 8.150 nan 0.000 0.448 21 A N -1.062 121.803 122.820 0.076 0.000 2.869 21 A HA -0.187 4.134 4.320 0.002 0.000 0.280 21 A C 0.226 177.778 177.584 -0.053 0.000 1.458 21 A CA 1.259 53.307 52.037 0.018 0.000 0.776 21 A CB -2.100 16.907 19.000 0.013 0.000 1.028 21 A HN 0.705 nan 8.150 nan 0.000 0.547 22 E N -1.353 118.827 120.200 -0.032 0.000 2.284 22 E HA 0.706 5.057 4.350 0.002 0.000 0.255 22 E C -0.135 176.414 176.600 -0.086 0.000 1.052 22 E CA -0.970 55.378 56.400 -0.086 0.000 0.904 22 E CB 0.776 30.491 29.700 0.024 0.000 1.217 22 E HN 0.349 nan 8.360 nan 0.000 0.438 23 F N 0.918 120.900 119.950 0.052 0.000 2.496 23 F HA -0.013 4.515 4.527 0.002 0.000 0.344 23 F C 1.362 177.191 175.800 0.049 0.000 1.155 23 F CA -0.339 57.687 58.000 0.043 0.000 1.302 23 F CB 0.698 39.713 39.000 0.024 0.000 1.159 23 F HN 0.311 nan 8.300 nan 0.000 0.595 24 S N 2.655 118.523 115.700 0.279 0.000 2.584 24 S HA 0.027 4.498 4.470 0.002 0.000 0.270 24 S C 0.979 175.671 174.600 0.154 0.000 1.346 24 S CA -0.900 57.403 58.200 0.171 0.000 1.018 24 S CB 0.869 64.152 63.200 0.137 0.000 0.899 24 S HN 0.712 nan 8.310 nan 0.000 0.542 25 L N 1.479 122.772 121.223 0.118 0.000 2.051 25 L HA -0.221 4.120 4.340 0.002 0.000 0.214 25 L C 2.635 179.571 176.870 0.109 0.000 1.076 25 L CA 1.989 56.891 54.840 0.104 0.000 0.758 25 L CB -1.110 40.997 42.059 0.081 0.000 0.890 25 L HN 0.840 nan 8.230 nan 0.000 0.433 26 Q N -1.165 118.697 119.800 0.104 0.000 2.170 26 Q HA -0.176 4.166 4.340 0.002 0.000 0.203 26 Q C 1.082 177.169 176.000 0.146 0.000 0.976 26 Q CA 1.638 57.509 55.803 0.112 0.000 0.858 26 Q CB -0.186 28.608 28.738 0.093 0.000 0.907 26 Q HN 0.616 nan 8.270 nan 0.000 0.433 27 D N -0.211 120.223 120.400 0.058 0.000 2.449 27 D HA 0.019 4.660 4.640 0.002 0.000 0.210 27 D C 1.447 177.515 176.300 -0.387 0.000 1.094 27 D CA 0.103 53.988 54.000 -0.191 0.000 0.846 27 D CB 0.191 40.879 40.800 -0.187 0.000 1.003 27 D HN 0.180 nan 8.370 nan 0.000 0.504 28 Q N 0.009 119.775 119.800 -0.056 0.000 2.325 28 Q HA -0.227 4.114 4.340 0.002 0.000 0.211 28 Q C 1.397 177.349 176.000 -0.079 0.000 0.988 28 Q CA 1.471 57.283 55.803 0.015 0.000 0.887 28 Q CB -0.481 28.336 28.738 0.131 0.000 0.915 28 Q HN 0.661 nan 8.270 nan 0.000 0.440 29 H N -2.942 116.057 119.070 -0.119 0.000 2.555 29 H HA 0.075 4.633 4.556 0.002 0.000 0.269 29 H C 1.486 176.723 175.328 -0.151 0.000 0.988 29 H CA 0.708 56.696 56.048 -0.100 0.000 1.178 29 H CB -0.307 29.408 29.762 -0.078 0.000 1.373 29 H HN 0.129 nan 8.280 nan 0.000 0.588 30 c N 0.476 118.656 118.600 -0.700 0.000 2.485 30 c HA 0.003 4.574 4.570 0.002 0.000 0.277 30 c C 2.458 176.387 174.090 -0.268 0.000 1.376 30 c CA 0.514 56.509 56.329 -0.556 0.000 1.759 30 c CB -0.357 41.688 42.510 -0.775 0.000 1.970 30 c HN 0.695 nan 8.230 nan 0.000 0.509 31 E N 1.604 121.686 120.200 -0.197 0.000 2.065 31 E HA -0.235 4.116 4.350 0.002 0.000 0.201 31 E C 2.177 178.833 176.600 0.094 0.000 1.016 31 E CA 2.176 58.651 56.400 0.124 0.000 0.818 31 E CB -0.009 29.825 29.700 0.224 0.000 0.749 31 E HN 0.692 nan 8.360 nan 0.000 0.453 32 S N 0.669 116.400 115.700 0.052 0.000 2.359 32 S HA -0.136 4.335 4.470 0.002 0.000 0.224 32 S C 1.013 175.645 174.600 0.053 0.000 1.035 32 S CA 0.494 58.728 58.200 0.056 0.000 1.018 32 S CB -0.399 62.829 63.200 0.047 0.000 0.876 32 S HN 0.139 nan 8.310 nan 0.000 0.448 33 L N 2.673 123.915 121.223 0.032 0.000 2.559 33 L HA 0.069 4.411 4.340 0.002 0.000 0.282 33 L C 0.659 177.575 176.870 0.075 0.000 1.232 33 L CA 0.385 55.246 54.840 0.036 0.000 0.885 33 L CB 0.305 42.362 42.059 -0.002 0.000 1.131 33 L HN 0.427 nan 8.230 nan 0.000 0.498 34 S N 1.336 117.083 115.700 0.078 0.000 2.565 34 S HA 0.146 4.617 4.470 0.002 0.000 0.207 34 S C 0.487 175.137 174.600 0.084 0.000 0.769 34 S CA -0.612 57.649 58.200 0.101 0.000 0.945 34 S CB -0.643 62.611 63.200 0.091 0.000 1.653 34 S HN 0.525 nan 8.310 nan 0.000 0.509 35 L N 1.000 122.269 121.223 0.076 0.000 2.661 35 L HA 0.055 4.396 4.340 0.002 0.000 0.236 35 L C 1.401 178.308 176.870 0.062 0.000 1.176 35 L CA 1.376 56.251 54.840 0.058 0.000 0.836 35 L CB -0.423 41.663 42.059 0.046 0.000 0.960 35 L HN 0.737 nan 8.230 nan 0.000 0.455 36 A N -0.430 122.436 122.820 0.076 0.000 2.978 36 A HA 0.564 4.885 4.320 0.002 0.000 0.341 36 A C 0.175 177.791 177.584 0.053 0.000 1.105 36 A CA -0.297 51.778 52.037 0.064 0.000 0.819 36 A CB 0.286 19.332 19.000 0.076 0.000 1.080 36 A HN 0.204 nan 8.150 nan 0.000 0.476 37 S N 0.252 115.978 115.700 0.043 0.000 2.903 37 S HA 0.737 5.208 4.470 0.002 0.000 0.314 37 S C -0.081 174.536 174.600 0.028 0.000 1.177 37 S CA -0.453 57.769 58.200 0.037 0.000 0.859 37 S CB 0.519 63.747 63.200 0.046 0.000 1.265 37 S HN 1.215 nan 8.310 nan 0.000 0.584 38 N N -0.107 118.608 118.700 0.025 0.000 2.729 38 N HA -0.122 4.619 4.740 0.002 0.000 0.259 38 N C -1.368 174.150 175.510 0.014 0.000 1.119 38 N CA 0.418 53.480 53.050 0.019 0.000 0.679 38 N CB -1.754 36.743 38.487 0.017 0.000 0.892 38 N HN 0.677 nan 8.380 nan 0.000 0.558 39 I N 0.564 121.141 120.570 0.012 0.000 2.312 39 I HA 0.149 4.321 4.170 0.002 0.000 0.291 39 I C 0.833 176.950 176.117 -0.001 0.000 1.031 39 I CA -0.580 60.723 61.300 0.004 0.000 1.293 39 I CB 1.406 39.406 38.000 0.001 0.000 1.403 39 I HN 0.331 nan 8.210 nan 0.000 0.484 40 S N 5.391 121.089 115.700 -0.003 0.000 2.448 40 S HA 0.649 5.120 4.470 0.002 0.000 0.279 40 S C 0.301 174.893 174.600 -0.013 0.000 1.195 40 S CA 0.539 58.735 58.200 -0.006 0.000 1.051 40 S CB -0.037 63.160 63.200 -0.005 0.000 0.948 40 S HN 1.054 nan 8.310 nan 0.000 0.493 41 G N 3.991 112.782 108.800 -0.016 0.000 2.472 41 G HA2 -0.136 3.826 3.960 0.002 0.000 0.205 41 G HA3 -0.136 3.826 3.960 0.002 0.000 0.205 41 G C -0.834 174.047 174.900 -0.031 0.000 1.270 41 G CA -0.548 44.538 45.100 -0.023 0.000 0.974 41 G HN 0.853 nan 8.290 nan 0.000 0.542 42 L N 0.946 122.143 121.223 -0.043 0.000 2.452 42 L HA 0.508 4.850 4.340 0.002 0.000 0.267 42 L C 0.824 177.648 176.870 -0.077 0.000 1.188 42 L CA 0.070 54.875 54.840 -0.059 0.000 0.821 42 L CB 0.850 42.868 42.059 -0.069 0.000 1.102 42 L HN 0.720 nan 8.230 nan 0.000 0.470 43 Q N 1.180 120.924 119.800 -0.093 0.000 2.456 43 Q HA 0.431 4.772 4.340 0.002 0.000 0.284 43 Q C -1.609 174.273 176.000 -0.197 0.000 1.061 43 Q CA -0.831 54.898 55.803 -0.123 0.000 0.799 43 Q CB 2.314 31.014 28.738 -0.063 0.000 1.445 43 Q HN 0.506 nan 8.270 nan 0.000 0.411 44 c N 1.956 120.353 118.600 -0.338 0.000 2.265 44 c HA 0.386 4.957 4.570 0.002 0.000 0.332 44 c C 0.134 174.131 174.090 -0.156 0.000 1.248 44 c CA -0.968 55.049 56.329 -0.520 0.000 1.727 44 c CB -0.812 40.808 42.510 -1.484 0.000 2.348 44 c HN 0.640 nan 8.230 nan 0.000 0.519 45 N N 1.839 120.561 118.700 0.037 0.000 2.479 45 N HA 0.262 5.004 4.740 0.002 0.000 0.257 45 N C 0.280 176.055 175.510 0.442 0.000 1.232 45 N CA 0.164 53.333 53.050 0.199 0.000 0.920 45 N CB 0.672 39.252 38.487 0.156 0.000 1.105 45 N HN 0.873 nan 8.380 nan 0.000 0.444 46 A N 1.328 124.374 122.820 0.376 0.000 2.572 46 A HA 0.184 4.505 4.320 0.002 0.000 0.256 46 A C 0.764 178.612 177.584 0.439 0.000 1.041 46 A CA 0.362 52.629 52.037 0.383 0.000 0.790 46 A CB -0.558 18.590 19.000 0.247 0.000 0.947 46 A HN 0.688 nan 8.150 nan 0.000 0.518 47 S N 1.753 117.676 115.700 0.371 0.000 2.740 47 S HA 0.791 5.262 4.470 0.002 0.000 0.300 47 S C -0.605 174.050 174.600 0.092 0.000 1.147 47 S CA -0.253 58.135 58.200 0.313 0.000 0.871 47 S CB 1.549 64.913 63.200 0.274 0.000 1.173 47 S HN 1.576 nan 8.310 nan 0.000 0.510 48 V N 1.320 121.308 119.914 0.123 0.000 3.001 48 V HA 0.668 4.790 4.120 0.002 0.000 0.314 48 V C -1.358 174.828 176.094 0.153 0.000 1.099 48 V CA -0.524 61.806 62.300 0.050 0.000 0.989 48 V CB 1.982 33.757 31.823 -0.080 0.000 1.040 48 V HN 1.203 nan 8.190 nan 0.000 0.434 49 D N 2.657 123.183 120.400 0.209 0.000 2.588 49 D HA 0.289 4.930 4.640 0.002 0.000 0.268 49 D C 0.650 177.045 176.300 0.159 0.000 1.176 49 D CA -0.528 53.599 54.000 0.211 0.000 1.080 49 D CB 0.803 41.813 40.800 0.350 0.000 1.186 49 D HN 0.325 nan 8.370 nan 0.000 0.619 50 L N -0.473 120.840 121.223 0.150 0.000 2.675 50 L HA 0.162 4.503 4.340 0.002 0.000 0.238 50 L C 1.226 178.147 176.870 0.085 0.000 1.155 50 L CA 0.385 55.287 54.840 0.104 0.000 0.881 50 L CB -0.327 41.783 42.059 0.086 0.000 1.008 50 L HN 0.371 nan 8.230 nan 0.000 0.443 51 I N -1.115 119.521 120.570 0.111 0.000 4.288 51 I HA 0.183 4.354 4.170 0.002 0.000 0.331 51 I C 1.212 177.392 176.117 0.105 0.000 1.322 51 I CA 0.592 61.943 61.300 0.084 0.000 1.149 51 I CB 0.495 38.533 38.000 0.063 0.000 1.112 51 I HN 0.334 nan 8.210 nan 0.000 0.403 52 G N 2.435 111.285 108.800 0.084 0.000 2.164 52 G HA2 -0.191 3.770 3.960 0.002 0.000 0.212 52 G HA3 -0.191 3.770 3.960 0.002 0.000 0.212 52 G C 0.076 174.965 174.900 -0.019 0.000 1.031 52 G CA -0.093 45.032 45.100 0.041 0.000 0.730 52 G HN 0.233 nan 8.290 nan 0.000 0.501 53 T N 0.886 115.411 114.554 -0.048 0.000 2.727 53 T HA 0.428 4.779 4.350 0.002 0.000 0.298 53 T C 0.940 175.337 174.700 -0.504 0.000 0.942 53 T CA -0.190 61.757 62.100 -0.256 0.000 0.997 53 T CB 0.985 69.729 68.868 -0.207 0.000 0.917 53 T HN 0.457 nan 8.240 nan 0.000 0.487 54 c N 3.882 122.191 118.600 -0.485 0.000 2.634 54 c HA 0.136 4.707 4.570 0.002 0.000 0.418 54 c C 0.282 173.931 174.090 -0.736 0.000 1.373 54 c CA -0.812 55.228 56.329 -0.482 0.000 1.756 54 c CB -1.175 41.124 42.510 -0.352 0.000 2.589 54 c HN 0.865 nan 8.230 nan 0.000 0.602 55 W N 5.120 126.236 121.300 -0.308 0.000 2.322 55 W HA 0.338 4.999 4.660 0.002 0.000 0.321 55 W C -1.956 174.496 176.519 -0.111 0.000 0.991 55 W CA -2.204 54.879 57.345 -0.437 0.000 1.448 55 W CB 0.287 29.044 29.460 -1.172 0.000 1.239 55 W HN 0.524 nan 8.180 nan 0.000 0.399 56 P HA -0.018 nan 4.420 nan 0.000 0.270 56 P C 0.053 177.610 177.300 0.428 0.000 1.223 56 P CA -0.291 62.952 63.100 0.238 0.000 0.785 56 P CB 0.837 32.621 31.700 0.140 0.000 0.923 57 R N 1.491 122.175 120.500 0.307 0.000 2.486 57 R HA 0.151 4.492 4.340 0.002 0.000 0.303 57 R C -0.455 175.956 176.300 0.185 0.000 0.958 57 R CA 0.754 57.007 56.100 0.255 0.000 1.077 57 R CB -0.243 30.151 30.300 0.156 0.000 0.921 57 R HN 0.467 nan 8.270 nan 0.000 0.406 58 S N 5.864 121.625 115.700 0.100 0.000 2.548 58 S HA 0.487 4.958 4.470 0.002 0.000 0.286 58 S C -2.542 172.004 174.600 -0.089 0.000 1.098 58 S CA -1.311 56.903 58.200 0.024 0.000 0.930 58 S CB 2.286 65.524 63.200 0.063 0.000 1.070 58 S HN 0.548 nan 8.310 nan 0.000 0.480 59 P HA 0.196 nan 4.420 nan 0.000 0.269 59 P C -0.766 176.464 177.300 -0.115 0.000 1.209 59 P CA -0.247 62.810 63.100 -0.071 0.000 0.776 59 P CB 0.264 31.944 31.700 -0.033 0.000 0.876 60 A N 1.976 124.721 122.820 -0.125 0.000 2.445 60 A HA 0.453 4.774 4.320 0.002 0.000 0.242 60 A C 1.334 178.858 177.584 -0.100 0.000 1.075 60 A CA 0.516 52.466 52.037 -0.145 0.000 0.777 60 A CB -1.272 17.652 19.000 -0.127 0.000 1.013 60 A HN 0.895 nan 8.150 nan 0.000 0.493 61 G N 0.622 109.361 108.800 -0.101 0.000 2.212 61 G HA2 -0.151 3.810 3.960 0.002 0.000 0.255 61 G HA3 -0.151 3.810 3.960 0.002 0.000 0.255 61 G C -0.177 174.699 174.900 -0.040 0.000 1.062 61 G CA 0.452 45.514 45.100 -0.063 0.000 0.815 61 G HN 0.975 nan 8.290 nan 0.000 0.497 62 Q N -1.196 118.580 119.800 -0.040 0.000 2.331 62 Q HA 0.559 4.901 4.340 0.002 0.000 0.272 62 Q C -0.620 175.404 176.000 0.040 0.000 1.062 62 Q CA -1.124 54.680 55.803 0.002 0.000 0.806 62 Q CB 2.662 31.406 28.738 0.009 0.000 1.312 62 Q HN 0.384 nan 8.270 nan 0.000 0.431 63 L N 2.604 123.868 121.223 0.070 0.000 2.369 63 L HA 0.239 4.580 4.340 0.002 0.000 0.279 63 L C -1.005 175.977 176.870 0.187 0.000 1.108 63 L CA -0.095 54.817 54.840 0.120 0.000 0.852 63 L CB 0.713 42.839 42.059 0.111 0.000 1.169 63 L HN 0.367 nan 8.230 nan 0.000 0.452 64 V N 5.964 126.032 119.914 0.256 0.000 2.567 64 V HA 0.441 4.563 4.120 0.002 0.000 0.289 64 V C -0.087 176.221 176.094 0.357 0.000 1.049 64 V CA -0.577 61.928 62.300 0.343 0.000 0.969 64 V CB 1.670 33.824 31.823 0.551 0.000 0.995 64 V HN 0.535 nan 8.190 nan 0.000 0.471 65 V N 5.852 125.922 119.914 0.259 0.000 2.540 65 V HA 0.686 4.807 4.120 0.002 0.000 0.302 65 V C -0.184 175.913 176.094 0.005 0.000 1.035 65 V CA -0.771 61.588 62.300 0.098 0.000 0.873 65 V CB 1.873 33.707 31.823 0.018 0.000 0.992 65 V HN 0.782 nan 8.190 nan 0.000 0.428 66 R N 3.735 124.160 120.500 -0.125 0.000 2.725 66 R HA 0.532 4.873 4.340 0.002 0.000 0.277 66 R C -3.029 173.127 176.300 -0.240 0.000 0.987 66 R CA -2.348 53.580 56.100 -0.287 0.000 0.901 66 R CB 2.457 32.332 30.300 -0.709 0.000 1.207 66 R HN 0.358 nan 8.270 nan 0.000 0.463 67 P HA 0.141 nan 4.420 nan 0.000 0.271 67 P C -0.188 177.040 177.300 -0.119 0.000 1.216 67 P CA -0.370 62.644 63.100 -0.144 0.000 0.776 67 P CB 0.446 32.072 31.700 -0.125 0.000 0.881 68 c N 5.847 124.405 118.600 -0.070 0.000 2.634 68 c HA 0.137 4.708 4.570 0.002 0.000 0.418 68 c C -1.465 172.516 174.090 -0.182 0.000 1.373 68 c CA -0.466 55.842 56.329 -0.034 0.000 1.756 68 c CB -0.996 41.503 42.510 -0.018 0.000 2.589 68 c HN 0.524 nan 8.230 nan 0.000 0.602 69 P HA 0.455 nan 4.420 nan 0.000 0.274 69 P C -0.768 176.179 177.300 -0.589 0.000 1.231 69 P CA 0.096 62.923 63.100 -0.456 0.000 0.790 69 P CB 0.988 32.477 31.700 -0.353 0.000 0.951 70 A N 1.433 123.636 122.820 -1.029 0.000 2.594 70 A HA 0.822 5.143 4.320 0.002 0.000 0.291 70 A C -1.790 175.109 177.584 -1.143 0.000 1.105 70 A CA -0.507 50.959 52.037 -0.953 0.000 0.694 70 A CB 1.123 19.382 19.000 -1.235 0.000 1.291 70 A HN 0.344 nan 8.150 nan 0.000 0.410 71 F N 0.029 119.880 119.950 -0.165 0.000 2.671 71 F HA 0.416 4.944 4.527 0.002 0.000 0.332 71 F C -0.781 175.145 175.800 0.211 0.000 1.189 71 F CA -0.225 57.815 58.000 0.068 0.000 0.988 71 F CB 1.866 40.869 39.000 0.006 0.000 1.258 71 F HN 0.510 nan 8.300 nan 0.000 0.471 72 F N 6.170 126.286 119.950 0.277 0.000 2.406 72 F HA 0.478 5.007 4.527 0.002 0.000 0.358 72 F C 0.327 176.118 175.800 -0.016 0.000 1.161 72 F CA -0.440 57.559 58.000 -0.003 0.000 1.185 72 F CB -0.586 38.350 39.000 -0.107 0.000 1.421 72 F HN 0.652 nan 8.300 nan 0.000 0.576 73 Y N 1.743 121.912 120.300 -0.219 0.000 2.887 73 Y HA -0.452 4.099 4.550 0.002 0.000 0.467 73 Y C 2.036 177.965 175.900 0.049 0.000 1.191 73 Y CA 0.264 58.273 58.100 -0.151 0.000 2.539 73 Y CB -1.432 36.871 38.460 -0.262 0.000 1.225 73 Y HN 0.420 nan 8.280 nan 0.000 0.630 74 G N 0.461 109.410 108.800 0.249 0.000 2.442 74 G HA2 -0.068 3.893 3.960 0.002 0.000 0.219 74 G HA3 -0.068 3.893 3.960 0.002 0.000 0.219 74 G C 0.266 175.356 174.900 0.316 0.000 1.141 74 G CA 1.059 46.284 45.100 0.209 0.000 0.763 74 G HN 0.341 nan 8.290 nan 0.000 0.554 75 V N 1.684 121.778 119.914 0.299 0.000 2.458 75 V HA 0.106 4.227 4.120 0.002 0.000 0.287 75 V C 0.918 177.168 176.094 0.260 0.000 1.009 75 V CA -0.142 62.315 62.300 0.263 0.000 1.091 75 V CB 0.467 32.447 31.823 0.262 0.000 0.960 75 V HN 0.350 nan 8.190 nan 0.000 0.476 76 R N 4.875 125.447 120.500 0.120 0.000 2.410 76 R HA 0.505 4.846 4.340 0.002 0.000 0.288 76 R C -0.791 175.470 176.300 -0.065 0.000 1.051 76 R CA -0.335 55.647 56.100 -0.197 0.000 1.021 76 R CB 0.895 31.083 30.300 -0.186 0.000 1.032 76 R HN 0.795 nan 8.270 nan 0.000 0.481 77 Y N 0.316 120.406 120.300 -0.349 0.000 2.689 77 Y HA 0.484 5.035 4.550 0.002 0.000 0.333 77 Y C -1.499 174.256 175.900 -0.242 0.000 1.190 77 Y CA -1.443 56.520 58.100 -0.229 0.000 1.063 77 Y CB 1.176 39.543 38.460 -0.156 0.000 1.294 77 Y HN 0.369 nan 8.280 nan 0.000 0.466 78 N N 1.080 119.745 118.700 -0.059 0.000 2.399 78 N HA 0.418 5.159 4.740 0.002 0.000 0.295 78 N C -0.663 174.819 175.510 -0.047 0.000 1.048 78 N CA -0.261 52.706 53.050 -0.137 0.000 0.886 78 N CB 2.038 40.473 38.487 -0.087 0.000 1.185 78 N HN 0.896 nan 8.380 nan 0.000 0.487 79 T N -2.490 111.998 114.554 -0.111 0.000 2.923 79 T HA 0.264 4.615 4.350 0.002 0.000 0.281 79 T C 1.169 175.859 174.700 -0.017 0.000 0.995 79 T CA -0.478 61.605 62.100 -0.029 0.000 0.985 79 T CB 0.622 69.458 68.868 -0.054 0.000 1.114 79 T HN 0.348 nan 8.240 nan 0.000 0.548 80 T N 1.029 115.587 114.554 0.007 0.000 2.977 80 T HA -0.016 4.335 4.350 0.002 0.000 0.271 80 T C 0.724 175.425 174.700 0.003 0.000 1.105 80 T CA 0.947 63.051 62.100 0.006 0.000 1.116 80 T CB -0.699 68.179 68.868 0.017 0.000 0.878 80 T HN 0.625 nan 8.240 nan 0.000 0.509 81 N N 1.269 119.968 118.700 -0.001 0.000 2.434 81 N HA 0.333 5.074 4.740 0.002 0.000 0.266 81 N C -0.538 174.951 175.510 -0.034 0.000 1.223 81 N CA -0.534 52.521 53.050 0.008 0.000 0.972 81 N CB 0.475 38.981 38.487 0.032 0.000 1.207 81 N HN 0.013 nan 8.380 nan 0.000 0.525 82 N N -0.913 117.753 118.700 -0.057 0.000 2.249 82 N HA 0.378 5.119 4.740 0.002 0.000 0.296 82 N C -0.963 174.357 175.510 -0.316 0.000 1.051 82 N CA -0.524 52.376 53.050 -0.251 0.000 0.815 82 N CB 1.978 40.192 38.487 -0.454 0.000 1.487 82 N HN 0.562 nan 8.380 nan 0.000 0.475 83 G N 0.989 109.641 108.800 -0.246 0.000 2.332 83 G HA2 0.512 4.474 3.960 0.002 0.000 0.310 83 G HA3 0.512 4.474 3.960 0.002 0.000 0.310 83 G C -1.191 173.559 174.900 -0.250 0.000 1.123 83 G CA -0.111 44.891 45.100 -0.163 0.000 0.873 83 G HN 0.375 nan 8.290 nan 0.000 0.460 84 Y N 0.775 121.093 120.300 0.031 0.000 2.377 84 Y HA 0.659 5.211 4.550 0.002 0.000 0.339 84 Y C 0.618 176.439 175.900 -0.132 0.000 1.011 84 Y CA -0.858 57.264 58.100 0.036 0.000 1.093 84 Y CB 2.255 40.722 38.460 0.011 0.000 1.201 84 Y HN 0.522 nan 8.280 nan 0.000 0.455 85 R N 1.755 122.210 120.500 -0.076 0.000 2.604 85 R HA 0.357 4.698 4.340 0.002 0.000 0.281 85 R C -1.489 174.775 176.300 -0.060 0.000 1.020 85 R CA -0.655 55.233 56.100 -0.352 0.000 0.899 85 R CB 1.571 31.106 30.300 -1.275 0.000 1.205 85 R HN 0.777 nan 8.270 nan 0.000 0.450 86 E N 2.717 122.911 120.200 -0.010 0.000 2.146 86 E HA 0.114 4.465 4.350 0.002 0.000 0.282 86 E C -0.819 175.829 176.600 0.080 0.000 0.989 86 E CA -0.414 56.017 56.400 0.051 0.000 0.799 86 E CB 1.555 31.258 29.700 0.006 0.000 1.088 86 E HN 0.453 nan 8.360 nan 0.000 0.397 87 c N 6.886 125.488 118.600 0.004 0.000 2.520 87 c HA 0.213 4.784 4.570 0.002 0.000 0.369 87 c C 0.547 174.502 174.090 -0.224 0.000 1.244 87 c CA -0.556 55.553 56.329 -0.367 0.000 1.677 87 c CB -1.555 40.551 42.510 -0.673 0.000 2.324 87 c HN 0.646 nan 8.230 nan 0.000 0.557 88 L N 5.904 127.011 121.223 -0.194 0.000 2.476 88 L HA 0.240 4.582 4.340 0.002 0.000 0.255 88 L C 1.834 178.628 176.870 -0.126 0.000 1.218 88 L CA 0.135 54.902 54.840 -0.121 0.000 0.819 88 L CB 0.216 42.222 42.059 -0.088 0.000 1.119 88 L HN 0.856 nan 8.230 nan 0.000 0.485 89 A N 1.482 124.250 122.820 -0.086 0.000 1.978 89 A HA -0.191 4.130 4.320 0.002 0.000 0.220 89 A C 1.742 179.279 177.584 -0.078 0.000 1.170 89 A CA 1.882 53.875 52.037 -0.074 0.000 0.636 89 A CB -0.736 18.232 19.000 -0.053 0.000 0.810 89 A HN 0.949 nan 8.150 nan 0.000 0.448 90 N N -1.145 117.508 118.700 -0.078 0.000 2.467 90 N HA 0.154 4.895 4.740 0.002 0.000 0.184 90 N C 1.002 176.457 175.510 -0.092 0.000 1.106 90 N CA 1.381 54.387 53.050 -0.073 0.000 0.892 90 N CB 0.032 38.484 38.487 -0.058 0.000 0.969 90 N HN 0.775 nan 8.380 nan 0.000 0.454 91 G N 0.198 108.919 108.800 -0.132 0.000 2.168 91 G HA2 -0.233 3.728 3.960 0.002 0.000 0.197 91 G HA3 -0.233 3.728 3.960 0.002 0.000 0.197 91 G C -0.177 174.586 174.900 -0.228 0.000 0.997 91 G CA 0.188 45.183 45.100 -0.174 0.000 0.658 91 G HN 0.752 nan 8.290 nan 0.000 0.513 92 S N -0.695 114.885 115.700 -0.201 0.000 2.537 92 S HA 0.701 5.172 4.470 0.002 0.000 0.301 92 S C -0.077 174.396 174.600 -0.211 0.000 1.092 92 S CA -0.930 57.165 58.200 -0.175 0.000 1.048 92 S CB 1.467 64.630 63.200 -0.062 0.000 1.053 92 S HN 0.426 nan 8.310 nan 0.000 0.501 93 W N 1.513 122.777 121.300 -0.060 0.000 2.210 93 W HA 0.471 5.132 4.660 0.002 0.000 0.330 93 W C 0.966 177.409 176.519 -0.126 0.000 1.334 93 W CA -0.212 57.063 57.345 -0.118 0.000 1.227 93 W CB 0.381 29.751 29.460 -0.150 0.000 1.178 93 W HN 0.943 nan 8.180 nan 0.000 0.560 94 A N 2.850 125.743 122.820 0.122 0.000 2.540 94 A HA 0.356 4.677 4.320 0.002 0.000 0.239 94 A C 1.360 178.945 177.584 0.001 0.000 1.061 94 A CA 0.374 52.425 52.037 0.023 0.000 0.758 94 A CB 0.331 19.320 19.000 -0.018 0.000 0.991 94 A HN 0.983 nan 8.150 nan 0.000 0.502 95 A N 2.389 125.208 122.820 -0.001 0.000 1.940 95 A HA -0.085 4.236 4.320 0.002 0.000 0.219 95 A C 1.552 179.118 177.584 -0.030 0.000 1.176 95 A CA 1.782 53.817 52.037 -0.004 0.000 0.631 95 A CB -0.178 18.824 19.000 0.003 0.000 0.814 95 A HN 0.851 nan 8.150 nan 0.000 0.446 96 R N -0.327 120.146 120.500 -0.044 0.000 2.460 96 R HA 0.503 4.844 4.340 0.002 0.000 0.303 96 R C -1.668 174.561 176.300 -0.119 0.000 0.968 96 R CA -0.447 55.624 56.100 -0.048 0.000 0.889 96 R CB 1.361 31.651 30.300 -0.018 0.000 1.123 96 R HN 0.053 nan 8.270 nan 0.000 0.455 97 V N 4.450 124.284 119.914 -0.134 0.000 2.370 97 V HA 0.125 4.246 4.120 0.002 0.000 0.279 97 V C 0.074 176.047 176.094 -0.201 0.000 1.029 97 V CA -0.912 61.217 62.300 -0.286 0.000 0.870 97 V CB 1.158 32.729 31.823 -0.419 0.000 0.984 97 V HN 0.711 nan 8.190 nan 0.000 0.451 98 N N 3.780 122.394 118.700 -0.143 0.000 2.402 98 N HA 0.104 4.845 4.740 0.002 0.000 0.259 98 N C -0.215 175.304 175.510 0.013 0.000 1.167 98 N CA 0.264 53.312 53.050 -0.004 0.000 0.949 98 N CB -0.071 38.455 38.487 0.064 0.000 1.212 98 N HN 0.667 nan 8.380 nan 0.000 0.493 99 Y N 0.743 121.120 120.300 0.129 0.000 2.607 99 Y HA 0.050 4.601 4.550 0.002 0.000 0.266 99 Y C 1.836 177.797 175.900 0.102 0.000 1.178 99 Y CA -0.354 57.817 58.100 0.119 0.000 1.226 99 Y CB 0.365 38.884 38.460 0.098 0.000 1.144 99 Y HN 0.602 nan 8.280 nan 0.000 0.528 100 S N -1.348 114.490 115.700 0.230 0.000 2.603 100 S HA -0.094 4.377 4.470 0.002 0.000 0.229 100 S C 1.129 175.816 174.600 0.144 0.000 0.972 100 S CA 0.691 58.987 58.200 0.160 0.000 0.935 100 S CB -0.085 63.183 63.200 0.113 0.000 0.769 100 S HN 0.533 nan 8.310 nan 0.000 0.536 101 E N 0.083 120.389 120.200 0.177 0.000 2.415 101 E HA 0.118 4.469 4.350 0.002 0.000 0.197 101 E C -0.266 176.401 176.600 0.112 0.000 1.007 101 E CA 0.017 56.505 56.400 0.147 0.000 0.890 101 E CB 0.392 30.208 29.700 0.193 0.000 0.891 101 E HN 0.626 nan 8.360 nan 0.000 0.496 102 c N 2.676 121.346 118.600 0.116 0.000 2.289 102 c HA 0.358 4.929 4.570 0.002 0.000 0.340 102 c C 0.389 174.509 174.090 0.051 0.000 1.152 102 c CA -1.027 55.341 56.329 0.065 0.000 1.650 102 c CB -1.112 41.425 42.510 0.045 0.000 2.203 102 c HN 0.259 nan 8.230 nan 0.000 0.511 103 Q N 0.000 119.826 119.800 0.044 0.000 2.315 103 Q HA 0.000 4.341 4.340 0.002 0.000 0.214 103 Q CA 0.000 55.829 55.803 0.043 0.000 1.022 103 Q CB 0.000 28.765 28.738 0.045 0.000 1.108 103 Q HN 0.000 nan 8.270 nan 0.000 0.481