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 3n95_1_A DATA FIRST_RESID -369 DATA SEQUENCE KIEEGKLVIW INGDKGYNGL AEVGKKFEKD TGIKVTVEHP DKLEEKFPQV DATA SEQUENCE AATGDGPDII FWAHDRFGGY AQSGLLAEIT PDKAFQDKLY PFTWDAVRYN DATA SEQUENCE GKLIAYPIAV EALSLIYNKD LLPNPPKTWE EIPALDKELK AKGKSALMFN DATA SEQUENCE LQEPYFTWPL IAADGGYAFK YENGKYDIKD VGVDNAGAKA GLTFLVDLIK DATA SEQUENCE NKHMNADTDY SIAEAAFNKG ETAMTINGPW AWSNIDTSKV NYGVTVLPTF DATA SEQUENCE KGQPSKPFVG VLSAGINAAS PNKELAKEFL ENYLLTDEGL EAVNKDKPLG DATA SEQUENCE AVALKSYEEE LAKDPRIAAT MENAQKGEIM PNIPQMSAFW YAVRTAVINA DATA SEQUENCE ASGRQTVDEA LKDAQTNAAA EFAALLHSLL EANcSLALAE ELLLDGWGPP DATA SEQUENCE LDPEGPYSYc NTTLDQIGTc WPRSAAGALV ERPcPEYFNG VKYNTTRNAY DATA SEQUENCE REcLENGTWA SKINYSQcEP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -369 K HA 0.000 nan 4.320 nan 0.000 0.191 -369 K C 0.000 176.573 176.600 -0.045 0.000 0.988 -369 K CA 0.000 56.262 56.287 -0.042 0.000 0.838 -369 K CB 0.000 32.483 32.500 -0.029 0.000 1.064 -368 I N 2.848 123.383 120.570 -0.058 0.000 2.529 -368 I HA 0.073 4.244 4.170 0.002 0.000 0.284 -368 I C 0.938 177.029 176.117 -0.042 0.000 1.082 -368 I CA -0.125 61.139 61.300 -0.061 0.000 1.406 -368 I CB 0.655 38.605 38.000 -0.084 0.000 1.405 -368 I HN 0.306 nan 8.210 nan 0.000 0.548 -367 E N 5.619 125.798 120.200 -0.035 0.000 2.324 -367 E HA 0.038 4.389 4.350 0.002 0.000 0.271 -367 E C -0.306 176.281 176.600 -0.022 0.000 1.028 -367 E CA -0.101 56.285 56.400 -0.024 0.000 0.890 -367 E CB 0.862 30.551 29.700 -0.018 0.000 1.004 -367 E HN 0.477 nan 8.360 nan 0.000 0.431 -366 E N 0.764 120.954 120.200 -0.016 0.000 2.316 -366 E HA 0.230 4.581 4.350 0.002 0.000 0.275 -366 E C 0.573 177.170 176.600 -0.005 0.000 1.029 -366 E CA 0.458 56.852 56.400 -0.011 0.000 0.871 -366 E CB 0.358 30.053 29.700 -0.009 0.000 1.022 -366 E HN 0.713 nan 8.360 nan 0.000 0.418 -365 G N 3.739 112.540 108.800 0.002 0.000 2.144 -365 G HA2 -0.242 3.719 3.960 0.002 0.000 0.218 -365 G HA3 -0.242 3.719 3.960 0.002 0.000 0.218 -365 G C -0.327 174.581 174.900 0.013 0.000 0.988 -365 G CA 0.393 45.499 45.100 0.009 0.000 0.659 -365 G HN 0.632 nan 8.290 nan 0.000 0.522 -364 K N -1.081 119.322 120.400 0.005 0.000 2.499 -364 K HA 0.880 5.201 4.320 0.002 0.000 0.277 -364 K C -0.963 175.621 176.600 -0.026 0.000 1.025 -364 K CA -1.288 55.000 56.287 0.002 0.000 0.900 -364 K CB 1.451 33.948 32.500 -0.005 0.000 1.494 -364 K HN 0.156 nan 8.250 nan 0.000 0.442 -363 L N 1.513 122.700 121.223 -0.060 0.000 2.376 -363 L HA 0.509 4.850 4.340 0.002 0.000 0.275 -363 L C -1.162 175.639 176.870 -0.115 0.000 0.987 -363 L CA -1.281 53.484 54.840 -0.126 0.000 0.828 -363 L CB 2.146 44.050 42.059 -0.259 0.000 1.249 -363 L HN 0.401 nan 8.230 nan 0.000 0.409 -362 V N 4.865 124.724 119.914 -0.091 0.000 2.427 -362 V HA 0.486 4.607 4.120 0.002 0.000 0.286 -362 V C 0.033 176.101 176.094 -0.043 0.000 1.034 -362 V CA -0.297 61.977 62.300 -0.042 0.000 0.893 -362 V CB 1.967 33.778 31.823 -0.020 0.000 0.982 -362 V HN 0.502 nan 8.190 nan 0.000 0.452 -361 I N 3.760 124.366 120.570 0.060 0.000 2.436 -361 I HA 0.417 4.588 4.170 0.002 0.000 0.289 -361 I C -1.174 175.179 176.117 0.393 0.000 1.010 -361 I CA -0.420 60.967 61.300 0.146 0.000 1.098 -361 I CB 2.076 40.130 38.000 0.090 0.000 1.266 -361 I HN 0.520 nan 8.210 nan 0.000 0.434 -360 W N 7.396 128.766 121.300 0.116 0.000 2.391 -360 W HA 0.679 5.340 4.660 0.001 0.000 0.311 -360 W C -0.292 176.346 176.519 0.199 0.000 1.087 -360 W CA -0.928 56.485 57.345 0.113 0.000 1.209 -360 W CB 1.127 30.645 29.460 0.097 0.000 1.273 -360 W HN 0.221 nan 8.180 nan 0.000 0.482 -359 I N 2.881 123.632 120.570 0.302 0.000 2.994 -359 I HA 0.305 4.476 4.170 0.002 0.000 0.306 -359 I C -0.349 175.854 176.117 0.142 0.000 1.195 -359 I CA -0.982 60.445 61.300 0.211 0.000 1.001 -359 I CB 1.881 39.860 38.000 -0.036 0.000 1.244 -359 I HN 0.187 nan 8.210 nan 0.000 0.437 -358 N N 2.821 121.583 118.700 0.104 0.000 2.492 -358 N HA 0.195 4.936 4.740 0.002 0.000 0.260 -358 N C 0.978 176.464 175.510 -0.039 0.000 1.215 -358 N CA 0.954 54.018 53.050 0.023 0.000 0.923 -358 N CB 1.551 39.934 38.487 -0.172 0.000 1.092 -358 N HN 0.736 nan 8.380 nan 0.000 0.448 -357 G N 1.209 109.976 108.800 -0.055 0.000 2.586 -357 G HA2 -0.229 3.732 3.960 0.002 0.000 0.215 -357 G HA3 -0.229 3.732 3.960 0.002 0.000 0.215 -357 G C 0.724 175.609 174.900 -0.024 0.000 1.128 -357 G CA 0.831 45.869 45.100 -0.104 0.000 0.774 -357 G HN 0.809 nan 8.290 nan 0.000 0.543 -356 D N -0.388 119.913 120.400 -0.164 0.000 2.354 -356 D HA 0.043 4.684 4.640 0.002 0.000 0.209 -356 D C 1.027 177.225 176.300 -0.170 0.000 1.015 -356 D CA 0.273 54.144 54.000 -0.215 0.000 0.867 -356 D CB 0.200 40.701 40.800 -0.498 0.000 0.933 -356 D HN 0.082 nan 8.370 nan 0.000 0.520 -355 K N 0.216 120.524 120.400 -0.154 0.000 2.240 -355 K HA 0.498 4.819 4.320 0.002 0.000 0.237 -355 K C 0.853 177.393 176.600 -0.100 0.000 1.027 -355 K CA -0.639 55.578 56.287 -0.116 0.000 0.937 -355 K CB 0.606 33.012 32.500 -0.157 0.000 1.171 -355 K HN 0.021 nan 8.250 nan 0.000 0.479 -354 G N 1.734 110.473 108.800 -0.103 0.000 3.213 -354 G HA2 0.097 4.058 3.960 0.002 0.000 0.263 -354 G HA3 0.097 4.058 3.960 0.002 0.000 0.263 -354 G C 0.699 175.501 174.900 -0.164 0.000 0.829 -354 G CA -0.160 44.841 45.100 -0.166 0.000 1.983 -354 G HN 0.588 nan 8.290 nan 0.000 0.616 -353 Y N -0.628 119.609 120.300 -0.106 0.000 2.439 -353 Y HA 0.011 4.562 4.550 0.001 0.000 0.292 -353 Y C 1.974 177.851 175.900 -0.038 0.000 1.130 -353 Y CA 0.763 58.808 58.100 -0.091 0.000 1.254 -353 Y CB -0.463 37.947 38.460 -0.083 0.000 1.000 -353 Y HN 0.364 nan 8.280 nan 0.000 0.554 -352 N N 0.744 119.321 118.700 -0.206 0.000 2.216 -352 N HA -0.044 4.697 4.740 0.002 0.000 0.183 -352 N C 2.222 177.724 175.510 -0.014 0.000 1.017 -352 N CA 0.917 53.939 53.050 -0.047 0.000 0.861 -352 N CB -0.439 37.969 38.487 -0.132 0.000 0.986 -352 N HN 0.534 nan 8.380 nan 0.000 0.428 -351 G N 1.572 110.339 108.800 -0.055 0.000 2.491 -351 G HA2 -0.269 3.692 3.960 0.002 0.000 0.218 -351 G HA3 -0.269 3.692 3.960 0.002 0.000 0.218 -351 G C 1.420 176.336 174.900 0.026 0.000 1.180 -351 G CA 0.656 45.748 45.100 -0.013 0.000 0.774 -351 G HN 0.168 nan 8.290 nan 0.000 0.562 -350 L N 1.414 122.650 121.223 0.022 0.000 2.079 -350 L HA 0.070 4.411 4.340 0.002 0.000 0.210 -350 L C 3.079 180.024 176.870 0.125 0.000 1.081 -350 L CA 2.158 57.036 54.840 0.065 0.000 0.752 -350 L CB -0.677 41.372 42.059 -0.016 0.000 0.896 -350 L HN 0.261 nan 8.230 nan 0.000 0.433 -349 A N -1.183 121.701 122.820 0.107 0.000 1.969 -349 A HA -0.145 4.176 4.320 0.002 0.000 0.218 -349 A C 2.092 179.743 177.584 0.112 0.000 1.169 -349 A CA 1.415 53.517 52.037 0.109 0.000 0.635 -349 A CB -0.455 18.614 19.000 0.115 0.000 0.810 -349 A HN 0.506 nan 8.150 nan 0.000 0.445 -348 E N 0.020 120.280 120.200 0.100 0.000 2.077 -348 E HA -0.113 4.238 4.350 0.002 0.000 0.193 -348 E C 2.188 178.871 176.600 0.139 0.000 0.989 -348 E CA 1.363 57.822 56.400 0.098 0.000 0.800 -348 E CB -0.668 29.074 29.700 0.070 0.000 0.746 -348 E HN 0.425 nan 8.360 nan 0.000 0.452 -347 V N 0.862 120.875 119.914 0.165 0.000 2.427 -347 V HA -0.146 3.974 4.120 0.002 0.000 0.248 -347 V C 2.404 178.723 176.094 0.375 0.000 1.051 -347 V CA 1.846 64.282 62.300 0.228 0.000 1.048 -347 V CB -1.098 30.826 31.823 0.168 0.000 0.666 -347 V HN 0.312 nan 8.190 nan 0.000 0.456 -346 G N -0.436 108.582 108.800 0.363 0.000 2.448 -346 G HA2 -0.260 3.701 3.960 0.002 0.000 0.219 -346 G HA3 -0.260 3.701 3.960 0.002 0.000 0.219 -346 G C 1.632 176.654 174.900 0.205 0.000 1.127 -346 G CA 0.805 46.063 45.100 0.263 0.000 0.766 -346 G HN 0.386 nan 8.290 nan 0.000 0.552 -345 K N 0.567 121.066 120.400 0.166 0.000 2.062 -345 K HA 0.101 4.422 4.320 0.002 0.000 0.205 -345 K C 2.306 178.984 176.600 0.131 0.000 1.051 -345 K CA 0.894 57.255 56.287 0.122 0.000 0.941 -345 K CB -0.227 32.332 32.500 0.097 0.000 0.719 -345 K HN 0.296 nan 8.250 nan 0.000 0.440 -344 K N -0.920 119.585 120.400 0.175 0.000 2.097 -344 K HA -0.114 4.207 4.320 0.002 0.000 0.205 -344 K C 1.998 178.700 176.600 0.169 0.000 1.050 -344 K CA 1.105 57.510 56.287 0.196 0.000 0.938 -344 K CB -0.208 32.453 32.500 0.268 0.000 0.718 -344 K HN 0.079 nan 8.250 nan 0.000 0.442 -343 F N 2.136 122.043 119.950 -0.072 0.000 2.146 -343 F HA -0.153 4.375 4.527 0.002 0.000 0.298 -343 F C 2.243 177.944 175.800 -0.165 0.000 1.096 -343 F CA 1.735 59.509 58.000 -0.376 0.000 1.275 -343 F CB -0.112 38.729 39.000 -0.265 0.000 1.008 -343 F HN 0.142 nan 8.300 nan 0.000 0.480 -342 E N 0.245 120.461 120.200 0.026 0.000 2.051 -342 E HA -0.248 4.103 4.350 0.002 0.000 0.192 -342 E C 2.263 178.819 176.600 -0.074 0.000 0.991 -342 E CA 1.353 57.732 56.400 -0.035 0.000 0.799 -342 E CB -0.106 29.618 29.700 0.040 0.000 0.748 -342 E HN 0.370 nan 8.360 nan 0.000 0.449 -341 K N 0.191 120.578 120.400 -0.022 0.000 2.044 -341 K HA -0.200 4.121 4.320 0.002 0.000 0.210 -341 K C 1.798 178.373 176.600 -0.041 0.000 1.049 -341 K CA 1.869 58.150 56.287 -0.011 0.000 0.927 -341 K CB -0.066 32.453 32.500 0.031 0.000 0.713 -341 K HN 0.175 nan 8.250 nan 0.000 0.443 -340 D N -0.946 119.412 120.400 -0.070 0.000 2.137 -340 D HA -0.086 4.555 4.640 0.002 0.000 0.202 -340 D C 1.952 178.160 176.300 -0.153 0.000 0.970 -340 D CA 1.710 55.670 54.000 -0.066 0.000 0.837 -340 D CB -0.137 40.680 40.800 0.029 0.000 0.981 -340 D HN 0.360 nan 8.370 nan 0.000 0.475 -339 T N -3.998 110.365 114.554 -0.318 0.000 3.014 -339 T HA 0.351 4.702 4.350 0.002 0.000 0.250 -339 T C 1.708 176.283 174.700 -0.208 0.000 1.060 -339 T CA 0.721 62.619 62.100 -0.336 0.000 1.040 -339 T CB 0.747 69.207 68.868 -0.680 0.000 0.971 -339 T HN 0.189 nan 8.240 nan 0.000 0.497 -338 G N 1.659 110.357 108.800 -0.170 0.000 2.159 -338 G HA2 -0.172 3.789 3.960 0.002 0.000 0.256 -338 G HA3 -0.172 3.789 3.960 0.002 0.000 0.256 -338 G C -0.024 174.835 174.900 -0.069 0.000 0.977 -338 G CA 0.030 45.075 45.100 -0.091 0.000 0.652 -338 G HN 0.558 nan 8.290 nan 0.000 0.531 -337 I N 1.366 121.878 120.570 -0.097 0.000 2.312 -337 I HA 0.261 4.431 4.170 0.002 0.000 0.291 -337 I C 0.846 177.004 176.117 0.067 0.000 1.031 -337 I CA -0.942 60.362 61.300 0.006 0.000 1.293 -337 I CB 1.180 39.231 38.000 0.086 0.000 1.403 -337 I HN 0.197 nan 8.210 nan 0.000 0.484 -336 K N 6.015 126.438 120.400 0.039 0.000 2.416 -336 K HA 0.292 4.613 4.320 0.002 0.000 0.283 -336 K C -1.051 175.562 176.600 0.021 0.000 1.037 -336 K CA -0.140 56.165 56.287 0.031 0.000 0.995 -336 K CB 0.724 33.232 32.500 0.014 0.000 0.938 -336 K HN 0.388 nan 8.250 nan 0.000 0.475 -335 V N 4.713 124.631 119.914 0.007 0.000 2.350 -335 V HA 0.182 4.303 4.120 0.002 0.000 0.285 -335 V C -0.577 175.487 176.094 -0.050 0.000 1.014 -335 V CA -0.706 61.548 62.300 -0.076 0.000 0.831 -335 V CB 1.701 33.428 31.823 -0.160 0.000 1.000 -335 V HN 0.855 nan 8.190 nan 0.000 0.433 -334 T N 4.798 119.325 114.554 -0.045 0.000 2.758 -334 T HA 0.485 4.836 4.350 0.002 0.000 0.285 -334 T C -0.177 174.532 174.700 0.015 0.000 0.981 -334 T CA -0.362 61.736 62.100 -0.003 0.000 0.965 -334 T CB 1.400 70.277 68.868 0.014 0.000 0.927 -334 T HN 0.303 nan 8.240 nan 0.000 0.448 -333 V N 4.321 124.255 119.914 0.032 0.000 2.383 -333 V HA 0.381 4.502 4.120 0.002 0.000 0.275 -333 V C 0.270 176.387 176.094 0.039 0.000 1.036 -333 V CA -0.617 61.719 62.300 0.060 0.000 0.889 -333 V CB 0.995 32.865 31.823 0.077 0.000 0.985 -333 V HN 0.837 nan 8.190 nan 0.000 0.459 -332 E N 2.610 122.839 120.200 0.048 0.000 2.244 -332 E HA 0.608 4.958 4.350 0.002 0.000 0.266 -332 E C -1.034 175.441 176.600 -0.208 0.000 0.914 -332 E CA -0.804 55.514 56.400 -0.137 0.000 0.794 -332 E CB 1.873 31.500 29.700 -0.121 0.000 1.210 -332 E HN 0.986 nan 8.360 nan 0.000 0.414 -331 H N -0.649 118.196 119.070 -0.375 0.000 2.429 -331 H HA 0.395 4.952 4.556 0.001 0.000 0.231 -331 H C -2.772 172.338 175.328 -0.364 0.000 1.416 -331 H CA -2.345 53.474 56.048 -0.381 0.000 1.443 -331 H CB -0.334 29.108 29.762 -0.532 0.000 1.591 -331 H HN 0.149 nan 8.280 nan 0.000 0.507 -330 P HA 0.081 nan 4.420 nan 0.000 0.272 -330 P C -0.015 177.135 177.300 -0.250 0.000 1.223 -330 P CA -0.250 62.572 63.100 -0.463 0.000 0.784 -330 P CB 0.895 32.130 31.700 -0.776 0.000 0.923 -329 D N 2.259 122.554 120.400 -0.176 0.000 2.424 -329 D HA 0.005 4.646 4.640 0.002 0.000 0.244 -329 D C 0.376 176.623 176.300 -0.088 0.000 1.134 -329 D CA 0.317 54.264 54.000 -0.089 0.000 0.881 -329 D CB 0.209 40.974 40.800 -0.059 0.000 1.191 -329 D HN 0.339 nan 8.370 nan 0.000 0.445 -328 K N 1.169 121.545 120.400 -0.040 0.000 3.244 -328 K HA -0.220 4.101 4.320 0.002 0.000 0.270 -328 K C 1.122 177.667 176.600 -0.092 0.000 1.016 -328 K CA 0.085 56.343 56.287 -0.048 0.000 0.754 -328 K CB -1.647 30.840 32.500 -0.023 0.000 1.326 -328 K HN 0.396 nan 8.250 nan 0.000 0.465 -327 L N -0.227 120.936 121.223 -0.100 0.000 2.156 -327 L HA -0.089 4.252 4.340 0.002 0.000 0.208 -327 L C 2.310 179.150 176.870 -0.051 0.000 1.095 -327 L CA 1.804 56.602 54.840 -0.071 0.000 0.770 -327 L CB -0.316 41.745 42.059 0.002 0.000 0.914 -327 L HN 0.326 nan 8.230 nan 0.000 0.439 -326 E N 0.822 120.776 120.200 -0.411 0.000 2.338 -326 E HA -0.248 4.103 4.350 0.002 0.000 0.197 -326 E C 1.515 178.041 176.600 -0.124 0.000 1.007 -326 E CA 1.622 57.718 56.400 -0.507 0.000 0.849 -326 E CB -0.363 28.463 29.700 -1.457 0.000 0.774 -326 E HN 0.820 nan 8.360 nan 0.000 0.506 -325 E N 0.485 120.630 120.200 -0.092 0.000 2.216 -325 E HA 0.067 4.418 4.350 0.002 0.000 0.192 -325 E C 1.966 178.588 176.600 0.038 0.000 0.973 -325 E CA 0.175 56.573 56.400 -0.004 0.000 0.851 -325 E CB 0.230 29.921 29.700 -0.014 0.000 0.804 -325 E HN 0.176 nan 8.360 nan 0.000 0.477 -324 K N 0.368 120.806 120.400 0.062 0.000 2.103 -324 K HA -0.087 4.234 4.320 0.002 0.000 0.204 -324 K C 1.935 178.659 176.600 0.208 0.000 1.052 -324 K CA 0.763 57.120 56.287 0.117 0.000 0.945 -324 K CB -0.134 32.411 32.500 0.076 0.000 0.722 -324 K HN 0.051 nan 8.250 nan 0.000 0.443 -323 F N 3.429 123.465 119.950 0.145 0.000 2.065 -323 F HA -0.162 4.365 4.527 0.001 0.000 0.298 -323 F C -1.113 174.555 175.800 -0.221 0.000 1.112 -323 F CA 1.376 59.356 58.000 -0.033 0.000 1.212 -323 F CB -0.956 37.920 39.000 -0.206 0.000 0.975 -323 F HN -0.014 nan 8.300 nan 0.000 0.476 -322 P HA -0.166 nan 4.420 nan 0.000 0.222 -322 P C 1.170 178.323 177.300 -0.246 0.000 1.147 -322 P CA 1.594 64.487 63.100 -0.345 0.000 0.790 -322 P CB -0.201 31.488 31.700 -0.020 0.000 0.780 -321 Q N -0.087 119.626 119.800 -0.146 0.000 2.046 -321 Q HA -0.082 4.259 4.340 0.002 0.000 0.200 -321 Q C 2.259 178.178 176.000 -0.135 0.000 0.975 -321 Q CA 1.920 57.665 55.803 -0.097 0.000 0.836 -321 Q CB -0.457 28.262 28.738 -0.031 0.000 0.896 -321 Q HN 0.225 nan 8.270 nan 0.000 0.428 -320 V N -3.022 116.794 119.914 -0.164 0.000 2.725 -320 V HA 0.154 4.274 4.120 0.002 0.000 0.247 -320 V C 1.990 177.906 176.094 -0.297 0.000 1.058 -320 V CA 1.183 63.388 62.300 -0.158 0.000 1.080 -320 V CB -0.642 31.159 31.823 -0.037 0.000 0.713 -320 V HN 0.230 nan 8.190 nan 0.000 0.465 -319 A N 1.001 123.493 122.820 -0.546 0.000 1.969 -319 A HA 0.170 4.491 4.320 0.002 0.000 0.218 -319 A C 2.435 179.777 177.584 -0.403 0.000 1.169 -319 A CA 1.812 53.457 52.037 -0.653 0.000 0.635 -319 A CB -1.013 17.191 19.000 -1.328 0.000 0.810 -319 A HN 1.031 nan 8.150 nan 0.000 0.445 -318 A N -0.234 122.387 122.820 -0.332 0.000 2.139 -318 A HA -0.080 4.241 4.320 0.002 0.000 0.221 -318 A C 1.984 179.485 177.584 -0.138 0.000 1.159 -318 A CA 2.144 54.063 52.037 -0.196 0.000 0.662 -318 A CB -0.949 17.964 19.000 -0.144 0.000 0.796 -318 A HN 0.886 nan 8.150 nan 0.000 0.463 -317 T N -5.339 109.130 114.554 -0.142 0.000 3.182 -317 T HA 0.451 4.802 4.350 0.002 0.000 0.277 -317 T C 0.986 175.627 174.700 -0.098 0.000 1.013 -317 T CA 0.869 62.913 62.100 -0.094 0.000 0.900 -317 T CB -0.067 68.763 68.868 -0.064 0.000 1.098 -317 T HN 1.730 nan 8.240 nan 0.000 0.543 -316 G N 0.949 109.671 108.800 -0.131 0.000 2.225 -316 G HA2 -0.172 3.789 3.960 0.002 0.000 0.264 -316 G HA3 -0.172 3.789 3.960 0.002 0.000 0.264 -316 G C -0.438 174.387 174.900 -0.124 0.000 1.060 -316 G CA 0.198 45.226 45.100 -0.119 0.000 0.833 -316 G HN 0.695 nan 8.290 nan 0.000 0.498 -315 D N -0.890 119.410 120.400 -0.166 0.000 2.636 -315 D HA 0.690 5.331 4.640 0.002 0.000 0.275 -315 D C 0.665 176.817 176.300 -0.248 0.000 1.130 -315 D CA 1.074 54.981 54.000 -0.155 0.000 1.031 -315 D CB 1.744 42.481 40.800 -0.104 0.000 1.451 -315 D HN 1.427 nan 8.370 nan 0.000 0.505 -314 G N 0.643 109.299 108.800 -0.241 0.000 2.549 -314 G HA2 -0.082 3.879 3.960 0.002 0.000 0.404 -314 G HA3 -0.082 3.879 3.960 0.002 0.000 0.404 -314 G C -2.789 171.790 174.900 -0.536 0.000 1.292 -314 G CA -0.568 44.247 45.100 -0.475 0.000 0.935 -314 G HN 0.429 nan 8.290 nan 0.000 0.512 -313 P HA 0.274 nan 4.420 nan 0.000 0.274 -313 P C 0.123 177.225 177.300 -0.329 0.000 1.237 -313 P CA -0.047 62.633 63.100 -0.700 0.000 0.793 -313 P CB 0.767 31.811 31.700 -1.094 0.000 0.977 -312 D N 0.367 120.640 120.400 -0.212 0.000 2.123 -312 D HA 0.005 4.646 4.640 0.002 0.000 0.200 -312 D C 0.695 176.927 176.300 -0.113 0.000 0.976 -312 D CA 1.501 55.421 54.000 -0.133 0.000 0.831 -312 D CB 0.244 40.978 40.800 -0.110 0.000 0.974 -312 D HN 0.364 nan 8.370 nan 0.000 0.469 -311 I N 1.026 121.531 120.570 -0.108 0.000 2.498 -311 I HA 0.312 4.483 4.170 0.002 0.000 0.290 -311 I C -0.520 175.575 176.117 -0.038 0.000 1.032 -311 I CA -0.635 60.629 61.300 -0.061 0.000 1.073 -311 I CB 3.215 41.231 38.000 0.026 0.000 1.251 -311 I HN -0.168 nan 8.210 nan 0.000 0.426 -310 I N 5.518 126.000 120.570 -0.145 0.000 2.474 -310 I HA 0.478 4.649 4.170 0.002 0.000 0.294 -310 I C -1.550 174.638 176.117 0.119 0.000 1.005 -310 I CA -0.547 60.708 61.300 -0.076 0.000 1.113 -310 I CB 1.620 39.221 38.000 -0.666 0.000 1.289 -310 I HN 0.388 nan 8.210 nan 0.000 0.436 -309 F N 7.776 127.881 119.950 0.258 0.000 2.426 -309 F HA 0.510 5.038 4.527 0.001 0.000 0.348 -309 F C -0.384 175.671 175.800 0.425 0.000 1.124 -309 F CA -0.190 57.992 58.000 0.304 0.000 1.008 -309 F CB 1.250 40.364 39.000 0.189 0.000 1.139 -309 F HN 0.440 nan 8.300 nan 0.000 0.452 -308 W N 1.971 123.419 121.300 0.246 0.000 2.959 -308 W HA 0.660 5.320 4.660 0.001 0.000 0.358 -308 W C -1.340 175.088 176.519 -0.152 0.000 1.228 -308 W CA -1.252 56.148 57.345 0.093 0.000 1.183 -308 W CB 1.603 31.212 29.460 0.248 0.000 1.467 -308 W HN 0.580 nan 8.180 nan 0.000 0.578 -307 A N 2.123 124.682 122.820 -0.435 0.000 2.445 -307 A HA 0.057 4.378 4.320 0.002 0.000 0.242 -307 A C 1.356 178.826 177.584 -0.189 0.000 1.075 -307 A CA 0.756 52.636 52.037 -0.261 0.000 0.777 -307 A CB -0.102 18.696 19.000 -0.336 0.000 1.013 -307 A HN 0.763 nan 8.150 nan 0.000 0.493 -306 H N 1.773 120.666 119.070 -0.296 0.000 2.489 -306 H HA -0.178 4.379 4.556 0.002 0.000 0.295 -306 H C 1.063 176.328 175.328 -0.103 0.000 1.082 -306 H CA 1.553 57.389 56.048 -0.354 0.000 1.295 -306 H CB -0.478 29.160 29.762 -0.206 0.000 1.380 -306 H HN 0.823 nan 8.280 nan 0.000 0.548 -305 D N 1.583 121.603 120.400 -0.635 0.000 2.182 -305 D HA -0.202 4.439 4.640 0.002 0.000 0.201 -305 D C 1.796 178.023 176.300 -0.122 0.000 0.986 -305 D CA 0.699 54.486 54.000 -0.354 0.000 0.847 -305 D CB -0.403 40.258 40.800 -0.231 0.000 0.942 -305 D HN 0.340 nan 8.370 nan 0.000 0.467 -304 R N -0.940 119.527 120.500 -0.056 0.000 2.275 -304 R HA 0.066 4.407 4.340 0.002 0.000 0.199 -304 R C 1.698 177.663 176.300 -0.559 0.000 0.989 -304 R CA -0.009 55.914 56.100 -0.294 0.000 1.016 -304 R CB -0.300 29.787 30.300 -0.355 0.000 0.918 -304 R HN 0.227 nan 8.270 nan 0.000 0.473 -303 F N 0.379 120.074 119.950 -0.425 0.000 2.293 -303 F HA 0.100 4.628 4.527 0.001 0.000 0.297 -303 F C 2.467 178.096 175.800 -0.285 0.000 1.089 -303 F CA 0.707 58.558 58.000 -0.249 0.000 1.377 -303 F CB -1.005 37.998 39.000 0.005 0.000 1.051 -303 F HN 0.069 nan 8.300 nan 0.000 0.511 -302 G N -0.099 108.596 108.800 -0.175 0.000 2.440 -302 G HA2 -0.221 3.740 3.960 0.002 0.000 0.218 -302 G HA3 -0.221 3.740 3.960 0.002 0.000 0.218 -302 G C 2.075 176.578 174.900 -0.662 0.000 1.154 -302 G CA 0.953 45.687 45.100 -0.609 0.000 0.767 -302 G HN 0.495 nan 8.290 nan 0.000 0.552 -301 G N -0.465 108.109 108.800 -0.377 0.000 2.422 -301 G HA2 -0.110 3.851 3.960 0.002 0.000 0.218 -301 G HA3 -0.110 3.851 3.960 0.002 0.000 0.218 -301 G C 1.606 176.455 174.900 -0.085 0.000 1.140 -301 G CA 0.889 45.851 45.100 -0.230 0.000 0.775 -301 G HN 0.386 nan 8.290 nan 0.000 0.545 -300 Y N 1.226 121.448 120.300 -0.129 0.000 2.200 -300 Y HA 0.123 4.674 4.550 0.002 0.000 0.290 -300 Y C 3.071 178.900 175.900 -0.118 0.000 1.137 -300 Y CA 0.076 58.120 58.100 -0.093 0.000 1.163 -300 Y CB -1.092 37.296 38.460 -0.121 0.000 0.988 -300 Y HN 0.253 nan 8.280 nan 0.000 0.518 -299 A N -0.292 122.510 122.820 -0.030 0.000 1.898 -299 A HA -0.232 4.089 4.320 0.002 0.000 0.216 -299 A C 2.203 179.774 177.584 -0.021 0.000 1.181 -299 A CA 1.727 53.740 52.037 -0.041 0.000 0.620 -299 A CB -0.725 18.233 19.000 -0.070 0.000 0.819 -299 A HN 0.370 nan 8.150 nan 0.000 0.442 -298 Q N 0.620 120.341 119.800 -0.132 0.000 2.077 -298 Q HA -0.133 4.208 4.340 0.002 0.000 0.206 -298 Q C 2.000 178.022 176.000 0.037 0.000 0.989 -298 Q CA 2.399 58.213 55.803 0.018 0.000 0.853 -298 Q CB -0.632 28.090 28.738 -0.026 0.000 0.907 -298 Q HN 0.523 nan 8.270 nan 0.000 0.418 -297 S N -0.909 114.802 115.700 0.017 0.000 2.603 -297 S HA 0.182 4.653 4.470 0.002 0.000 0.229 -297 S C 0.991 175.594 174.600 0.005 0.000 0.972 -297 S CA 0.646 58.856 58.200 0.016 0.000 0.935 -297 S CB -0.303 62.908 63.200 0.019 0.000 0.769 -297 S HN 0.705 nan 8.310 nan 0.000 0.536 -296 G N 1.099 109.909 108.800 0.017 0.000 2.147 -296 G HA2 -0.236 3.724 3.960 0.002 0.000 0.244 -296 G HA3 -0.236 3.724 3.960 0.002 0.000 0.244 -296 G C 0.467 175.358 174.900 -0.014 0.000 1.005 -296 G CA 0.344 45.450 45.100 0.009 0.000 0.713 -296 G HN 0.531 nan 8.290 nan 0.000 0.515 -295 L N -1.019 120.195 121.223 -0.015 0.000 2.554 -295 L HA 0.420 4.761 4.340 0.002 0.000 0.225 -295 L C 1.282 178.154 176.870 0.003 0.000 1.104 -295 L CA 0.175 54.980 54.840 -0.058 0.000 0.866 -295 L CB 0.080 42.060 42.059 -0.131 0.000 1.047 -295 L HN 0.186 nan 8.230 nan 0.000 0.468 -294 L N 0.362 121.596 121.223 0.018 0.000 2.325 -294 L HA 0.599 4.940 4.340 0.002 0.000 0.278 -294 L C 0.252 177.133 176.870 0.017 0.000 1.023 -294 L CA -0.590 54.254 54.840 0.006 0.000 0.811 -294 L CB 1.725 43.771 42.059 -0.022 0.000 1.249 -294 L HN -0.074 nan 8.230 nan 0.000 0.431 -293 A N 2.380 125.210 122.820 0.016 0.000 2.363 -293 A HA 0.241 4.562 4.320 0.002 0.000 0.270 -293 A C -0.020 177.586 177.584 0.037 0.000 1.121 -293 A CA -0.367 51.685 52.037 0.025 0.000 0.800 -293 A CB 0.430 19.444 19.000 0.023 0.000 1.052 -293 A HN 0.775 nan 8.150 nan 0.000 0.493 -292 E N 1.513 121.734 120.200 0.035 0.000 2.384 -292 E HA 0.297 4.648 4.350 0.002 0.000 0.266 -292 E C -0.329 176.283 176.600 0.019 0.000 1.012 -292 E CA -0.157 56.263 56.400 0.032 0.000 0.901 -292 E CB 0.321 30.038 29.700 0.028 0.000 0.967 -292 E HN 0.584 nan 8.360 nan 0.000 0.435 -291 I N 1.089 121.655 120.570 -0.007 0.000 2.488 -291 I HA 0.405 4.576 4.170 0.002 0.000 0.299 -291 I C -0.115 175.965 176.117 -0.061 0.000 0.984 -291 I CA -0.602 60.676 61.300 -0.037 0.000 1.250 -291 I CB 1.918 39.807 38.000 -0.185 0.000 1.389 -291 I HN 0.325 nan 8.210 nan 0.000 0.488 -290 T N 2.201 116.740 114.554 -0.025 0.000 3.401 -290 T HA 0.501 4.852 4.350 0.002 0.000 0.341 -290 T C -2.420 172.266 174.700 -0.022 0.000 1.674 -290 T CA -1.339 60.741 62.100 -0.034 0.000 1.600 -290 T CB 0.055 68.918 68.868 -0.008 0.000 0.974 -290 T HN 0.556 nan 8.240 nan 0.000 0.672 -289 P HA 0.377 nan 4.420 nan 0.000 0.281 -289 P C -0.529 176.771 177.300 0.000 0.000 1.249 -289 P CA -0.283 62.823 63.100 0.011 0.000 0.810 -289 P CB 1.047 32.829 31.700 0.137 0.000 1.008 -288 D N 0.602 121.040 120.400 0.064 0.000 2.423 -288 D HA 0.097 4.738 4.640 0.002 0.000 0.255 -288 D C 1.186 177.523 176.300 0.062 0.000 1.174 -288 D CA -0.489 53.540 54.000 0.048 0.000 1.008 -288 D CB 0.657 41.492 40.800 0.058 0.000 1.101 -288 D HN 0.062 nan 8.370 nan 0.000 0.516 -287 K N -0.007 120.409 120.400 0.026 0.000 2.020 -287 K HA -0.184 4.137 4.320 0.002 0.000 0.212 -287 K C 1.971 178.600 176.600 0.047 0.000 1.050 -287 K CA 1.620 57.912 56.287 0.008 0.000 0.929 -287 K CB -0.885 31.616 32.500 0.001 0.000 0.714 -287 K HN 0.601 nan 8.250 nan 0.000 0.443 -286 A N 0.340 123.205 122.820 0.075 0.000 1.917 -286 A HA -0.204 4.117 4.320 0.002 0.000 0.219 -286 A C 2.160 179.823 177.584 0.131 0.000 1.182 -286 A CA 1.618 53.707 52.037 0.087 0.000 0.633 -286 A CB -0.804 18.249 19.000 0.089 0.000 0.819 -286 A HN 0.422 nan 8.150 nan 0.000 0.448 -285 F N 0.393 120.383 119.950 0.067 0.000 2.186 -285 F HA -0.147 4.380 4.527 0.001 0.000 0.299 -285 F C 2.545 178.478 175.800 0.221 0.000 1.090 -285 F CA 1.960 60.041 58.000 0.135 0.000 1.307 -285 F CB -0.166 38.937 39.000 0.171 0.000 1.019 -285 F HN 0.298 nan 8.300 nan 0.000 0.489 -284 Q N -0.233 119.705 119.800 0.229 0.000 2.167 -284 Q HA -0.194 4.147 4.340 0.002 0.000 0.202 -284 Q C 1.447 177.563 176.000 0.193 0.000 0.970 -284 Q CA 1.447 57.353 55.803 0.172 0.000 0.855 -284 Q CB -0.222 28.358 28.738 -0.263 0.000 0.911 -284 Q HN 0.378 nan 8.270 nan 0.000 0.438 -283 D N 0.598 121.033 120.400 0.058 0.000 2.310 -283 D HA -0.089 4.552 4.640 0.002 0.000 0.212 -283 D C 1.188 177.458 176.300 -0.050 0.000 0.965 -283 D CA 0.946 54.957 54.000 0.019 0.000 0.879 -283 D CB 0.060 40.862 40.800 0.004 0.000 0.921 -283 D HN 0.174 nan 8.370 nan 0.000 0.510 -282 K N -0.350 119.975 120.400 -0.124 0.000 2.366 -282 K HA 0.095 4.416 4.320 0.002 0.000 0.198 -282 K C 0.539 176.962 176.600 -0.296 0.000 1.044 -282 K CA 0.395 56.538 56.287 -0.239 0.000 0.973 -282 K CB 0.472 32.745 32.500 -0.378 0.000 0.767 -282 K HN 0.126 nan 8.250 nan 0.000 0.475 -281 L N 0.390 121.482 121.223 -0.218 0.000 2.333 -281 L HA 0.347 4.688 4.340 0.002 0.000 0.269 -281 L C -0.415 176.314 176.870 -0.236 0.000 1.010 -281 L CA -1.419 53.227 54.840 -0.323 0.000 0.818 -281 L CB 0.768 42.543 42.059 -0.472 0.000 1.306 -281 L HN -0.096 nan 8.230 nan 0.000 0.430 -280 Y N 1.701 121.881 120.300 -0.199 0.000 2.717 -280 Y HA -0.008 4.543 4.550 0.002 0.000 0.330 -280 Y C -1.388 174.434 175.900 -0.130 0.000 1.217 -280 Y CA -0.975 57.038 58.100 -0.146 0.000 1.506 -280 Y CB -0.094 38.212 38.460 -0.257 0.000 1.268 -280 Y HN 0.439 nan 8.280 nan 0.000 0.561 -279 P HA -0.248 nan 4.420 nan 0.000 0.216 -279 P C 1.479 178.906 177.300 0.212 0.000 1.153 -279 P CA 1.746 65.017 63.100 0.285 0.000 0.858 -279 P CB -0.151 31.703 31.700 0.258 0.000 0.789 -278 F N -0.119 119.917 119.950 0.143 0.000 2.365 -278 F HA -0.117 4.411 4.527 0.002 0.000 0.300 -278 F C 1.812 177.624 175.800 0.020 0.000 1.090 -278 F CA 1.561 59.602 58.000 0.068 0.000 1.408 -278 F CB -2.165 36.847 39.000 0.020 0.000 1.060 -278 F HN -0.092 nan 8.300 nan 0.000 0.534 -277 T N -3.312 110.758 114.554 -0.807 0.000 2.857 -277 T HA -0.170 4.181 4.350 0.002 0.000 0.266 -277 T C 1.580 176.072 174.700 -0.346 0.000 1.048 -277 T CA 1.047 62.747 62.100 -0.667 0.000 1.139 -277 T CB -1.184 67.226 68.868 -0.764 0.000 0.874 -277 T HN 0.568 nan 8.240 nan 0.000 0.455 -276 W N 2.005 123.221 121.300 -0.140 0.000 2.402 -276 W HA 0.065 4.726 4.660 0.002 0.000 0.286 -276 W C 2.096 178.597 176.519 -0.029 0.000 1.221 -276 W CA 0.273 57.581 57.345 -0.061 0.000 1.257 -276 W CB -0.150 29.293 29.460 -0.028 0.000 1.120 -276 W HN 0.208 nan 8.180 nan 0.000 0.551 -275 D N 0.186 120.705 120.400 0.197 0.000 2.123 -275 D HA -0.178 4.463 4.640 0.002 0.000 0.196 -275 D C 2.227 178.592 176.300 0.108 0.000 0.992 -275 D CA 1.841 55.936 54.000 0.158 0.000 0.833 -275 D CB -0.870 40.025 40.800 0.158 0.000 0.954 -275 D HN 0.113 nan 8.370 nan 0.000 0.455 -274 A N 0.533 123.353 122.820 -0.001 0.000 2.019 -274 A HA -0.117 4.204 4.320 0.002 0.000 0.219 -274 A C 2.086 179.669 177.584 -0.002 0.000 1.164 -274 A CA 1.603 53.552 52.037 -0.147 0.000 0.644 -274 A CB -0.358 18.310 19.000 -0.553 0.000 0.805 -274 A HN 0.253 nan 8.150 nan 0.000 0.449 -273 V N -3.259 116.694 119.914 0.065 0.000 3.342 -273 V HA 0.354 4.475 4.120 0.002 0.000 0.322 -273 V C 0.545 176.774 176.094 0.224 0.000 1.370 -273 V CA -0.266 62.126 62.300 0.154 0.000 1.170 -273 V CB -0.884 31.016 31.823 0.127 0.000 1.101 -273 V HN 0.392 nan 8.190 nan 0.000 0.442 -272 R N 0.819 121.448 120.500 0.214 0.000 2.254 -272 R HA 0.486 4.827 4.340 0.002 0.000 0.318 -272 R C -1.630 174.828 176.300 0.263 0.000 1.031 -272 R CA -0.645 55.578 56.100 0.205 0.000 0.905 -272 R CB 1.030 31.423 30.300 0.154 0.000 1.050 -272 R HN 0.498 nan 8.270 nan 0.000 0.456 -271 Y N 4.547 124.911 120.300 0.106 0.000 2.354 -271 Y HA 0.182 4.733 4.550 0.001 0.000 0.330 -271 Y C -0.251 175.692 175.900 0.071 0.000 1.011 -271 Y CA -0.811 57.346 58.100 0.095 0.000 1.099 -271 Y CB 1.166 39.687 38.460 0.102 0.000 1.179 -271 Y HN 0.900 nan 8.280 nan 0.000 0.442 -270 N N 4.210 122.631 118.700 -0.465 0.000 2.725 -270 N HA -0.254 4.487 4.740 0.002 0.000 0.249 -270 N C 0.909 176.364 175.510 -0.093 0.000 1.103 -270 N CA 1.083 53.954 53.050 -0.297 0.000 0.707 -270 N CB -0.825 37.503 38.487 -0.266 0.000 1.043 -270 N HN 1.315 nan 8.380 nan 0.000 0.553 -269 G N -0.633 108.142 108.800 -0.043 0.000 2.245 -269 G HA2 -0.351 3.610 3.960 0.002 0.000 0.264 -269 G HA3 -0.351 3.610 3.960 0.002 0.000 0.264 -269 G C 0.054 174.960 174.900 0.011 0.000 0.985 -269 G CA 1.118 46.213 45.100 -0.008 0.000 0.625 -269 G HN 0.481 nan 8.290 nan 0.000 0.536 -268 K N 0.083 120.504 120.400 0.036 0.000 2.110 -268 K HA 0.655 4.976 4.320 0.002 0.000 0.263 -268 K C 0.312 176.960 176.600 0.080 0.000 0.975 -268 K CA -0.766 55.550 56.287 0.048 0.000 0.895 -268 K CB 1.439 33.980 32.500 0.067 0.000 1.060 -268 K HN 0.156 nan 8.250 nan 0.000 0.448 -267 L N 4.408 125.658 121.223 0.044 0.000 2.281 -267 L HA 0.209 4.550 4.340 0.002 0.000 0.285 -267 L C 0.710 177.632 176.870 0.086 0.000 1.074 -267 L CA -0.219 54.665 54.840 0.074 0.000 0.817 -267 L CB 0.249 42.305 42.059 -0.005 0.000 1.168 -267 L HN 0.664 nan 8.230 nan 0.000 0.434 -266 I N 0.433 121.095 120.570 0.154 0.000 3.974 -266 I HA 0.675 4.845 4.170 0.002 0.000 0.334 -266 I C 0.407 176.645 176.117 0.201 0.000 1.437 -266 I CA -0.070 61.326 61.300 0.160 0.000 1.113 -266 I CB 0.398 38.514 38.000 0.193 0.000 1.063 -266 I HN 0.475 nan 8.210 nan 0.000 0.400 -265 A N -0.314 122.615 122.820 0.180 0.000 2.567 -265 A HA 0.671 4.992 4.320 0.002 0.000 0.291 -265 A C -2.021 175.608 177.584 0.075 0.000 1.048 -265 A CA -0.570 51.600 52.037 0.221 0.000 0.661 -265 A CB 0.361 19.643 19.000 0.469 0.000 1.288 -265 A HN 0.093 nan 8.150 nan 0.000 0.424 -264 Y N 1.004 121.376 120.300 0.121 0.000 2.341 -264 Y HA 0.468 5.019 4.550 0.001 0.000 0.340 -264 Y C -2.087 173.731 175.900 -0.137 0.000 0.997 -264 Y CA -1.968 56.152 58.100 0.033 0.000 1.149 -264 Y CB 1.036 39.535 38.460 0.065 0.000 1.171 -264 Y HN 0.390 nan 8.280 nan 0.000 0.494 -263 P HA 0.054 nan 4.420 nan 0.000 0.271 -263 P C 0.066 177.281 177.300 -0.141 0.000 1.216 -263 P CA 0.256 63.202 63.100 -0.257 0.000 0.776 -263 P CB 1.197 32.595 31.700 -0.503 0.000 0.881 -262 I N 0.703 121.235 120.570 -0.063 0.000 3.673 -262 I HA 0.376 4.547 4.170 0.002 0.000 0.281 -262 I C 0.898 177.029 176.117 0.024 0.000 1.182 -262 I CA 0.336 61.653 61.300 0.027 0.000 1.391 -262 I CB -0.717 37.374 38.000 0.153 0.000 1.383 -262 I HN 0.324 nan 8.210 nan 0.000 0.456 -261 A N 0.545 123.374 122.820 0.015 0.000 2.605 -261 A HA 0.638 4.959 4.320 0.002 0.000 0.294 -261 A C -1.319 176.291 177.584 0.043 0.000 1.062 -261 A CA -0.369 51.694 52.037 0.043 0.000 0.682 -261 A CB 1.398 20.445 19.000 0.079 0.000 1.278 -261 A HN -0.171 nan 8.150 nan 0.000 0.410 -260 V N 1.478 121.438 119.914 0.077 0.000 2.439 -260 V HA 0.455 4.576 4.120 0.002 0.000 0.282 -260 V C -0.140 176.032 176.094 0.129 0.000 1.039 -260 V CA -0.149 62.223 62.300 0.121 0.000 0.913 -260 V CB 1.202 33.138 31.823 0.188 0.000 0.983 -260 V HN 0.851 nan 8.190 nan 0.000 0.460 -259 E N 3.335 123.634 120.200 0.164 0.000 2.191 -259 E HA 0.751 5.102 4.350 0.002 0.000 0.263 -259 E C -0.609 176.128 176.600 0.228 0.000 0.881 -259 E CA -0.469 56.053 56.400 0.203 0.000 0.757 -259 E CB 2.189 32.067 29.700 0.298 0.000 1.147 -259 E HN 0.811 nan 8.360 nan 0.000 0.414 -258 A N 3.447 126.360 122.820 0.154 0.000 2.454 -258 A HA 0.601 4.922 4.320 0.002 0.000 0.302 -258 A C -0.801 176.819 177.584 0.059 0.000 1.079 -258 A CA -0.717 51.404 52.037 0.141 0.000 0.731 -258 A CB 0.913 19.979 19.000 0.111 0.000 1.299 -258 A HN 0.589 nan 8.150 nan 0.000 0.413 -257 L N 1.280 122.519 121.223 0.026 0.000 2.417 -257 L HA 0.479 4.820 4.340 0.002 0.000 0.268 -257 L C 0.425 177.292 176.870 -0.006 0.000 1.158 -257 L CA 0.113 54.936 54.840 -0.028 0.000 0.819 -257 L CB 1.293 43.298 42.059 -0.091 0.000 1.112 -257 L HN 0.737 nan 8.230 nan 0.000 0.458 -256 S N 1.628 117.330 115.700 0.003 0.000 2.618 -256 S HA 0.484 4.955 4.470 0.002 0.000 0.277 -256 S C -1.041 173.552 174.600 -0.011 0.000 1.138 -256 S CA -0.666 57.546 58.200 0.020 0.000 0.844 -256 S CB 2.030 65.284 63.200 0.090 0.000 1.127 -256 S HN 0.377 nan 8.310 nan 0.000 0.474 -255 L N 2.405 123.607 121.223 -0.035 0.000 2.361 -255 L HA 0.501 4.842 4.340 0.002 0.000 0.278 -255 L C -1.240 175.647 176.870 0.029 0.000 1.113 -255 L CA 0.385 55.187 54.840 -0.064 0.000 0.849 -255 L CB -0.300 41.682 42.059 -0.129 0.000 1.155 -255 L HN 0.522 nan 8.230 nan 0.000 0.452 -254 I N 6.675 127.221 120.570 -0.040 0.000 2.354 -254 I HA 0.352 4.523 4.170 0.002 0.000 0.292 -254 I C -0.872 175.248 176.117 0.003 0.000 0.989 -254 I CA -0.607 60.664 61.300 -0.049 0.000 1.188 -254 I CB 1.022 38.847 38.000 -0.292 0.000 1.342 -254 I HN 0.602 nan 8.210 nan 0.000 0.457 -253 Y N 4.507 124.857 120.300 0.084 0.000 2.545 -253 Y HA 0.533 5.084 4.550 0.002 0.000 0.348 -253 Y C -0.786 175.360 175.900 0.409 0.000 1.002 -253 Y CA -1.634 56.613 58.100 0.245 0.000 1.039 -253 Y CB 0.890 39.404 38.460 0.091 0.000 1.271 -253 Y HN 0.434 nan 8.280 nan 0.000 0.467 -252 N N 2.765 121.668 118.700 0.338 0.000 2.406 -252 N HA 0.138 4.879 4.740 0.002 0.000 0.251 -252 N C 0.171 175.694 175.510 0.021 0.000 1.069 -252 N CA -0.041 53.042 53.050 0.056 0.000 0.947 -252 N CB 0.987 39.426 38.487 -0.079 0.000 1.111 -252 N HN 0.892 nan 8.380 nan 0.000 0.497 -251 K N 1.869 122.197 120.400 -0.120 0.000 2.280 -251 K HA -0.102 4.219 4.320 0.002 0.000 0.202 -251 K C 0.300 176.907 176.600 0.013 0.000 1.047 -251 K CA 1.041 57.303 56.287 -0.041 0.000 0.942 -251 K CB 0.379 32.804 32.500 -0.124 0.000 0.739 -251 K HN 0.490 nan 8.250 nan 0.000 0.457 -250 D N 0.639 121.030 120.400 -0.016 0.000 2.162 -250 D HA -0.053 4.588 4.640 0.002 0.000 0.203 -250 D C 1.822 178.125 176.300 0.005 0.000 0.967 -250 D CA 0.906 54.898 54.000 -0.013 0.000 0.840 -250 D CB 0.055 40.835 40.800 -0.035 0.000 0.972 -250 D HN 0.112 nan 8.370 nan 0.000 0.482 -249 L N -0.563 120.668 121.223 0.013 0.000 2.162 -249 L HA 0.124 4.465 4.340 0.002 0.000 0.205 -249 L C 0.737 177.642 176.870 0.058 0.000 1.086 -249 L CA 0.478 55.334 54.840 0.026 0.000 0.778 -249 L CB 0.246 42.316 42.059 0.019 0.000 0.928 -249 L HN -0.107 nan 8.230 nan 0.000 0.446 -248 L N 0.444 121.732 121.223 0.109 0.000 2.401 -248 L HA 0.254 4.595 4.340 0.002 0.000 0.263 -248 L C -1.831 175.149 176.870 0.184 0.000 1.004 -248 L CA -1.415 53.505 54.840 0.133 0.000 0.881 -248 L CB 2.090 44.254 42.059 0.175 0.000 1.219 -248 L HN -0.201 nan 8.230 nan 0.000 0.441 -247 P HA -0.039 nan 4.420 nan 0.000 0.219 -247 P C -0.167 177.189 177.300 0.094 0.000 1.150 -247 P CA 1.062 64.229 63.100 0.112 0.000 0.814 -247 P CB 0.289 32.018 31.700 0.049 0.000 0.787 -246 N N 0.148 118.854 118.700 0.010 0.000 2.696 -246 N HA 0.214 4.955 4.740 0.002 0.000 0.246 -246 N C -2.600 172.805 175.510 -0.175 0.000 1.057 -246 N CA -1.430 51.571 53.050 -0.083 0.000 0.867 -246 N CB 0.820 39.272 38.487 -0.059 0.000 1.141 -246 N HN 0.130 nan 8.380 nan 0.000 0.517 -245 P HA 0.180 nan 4.420 nan 0.000 0.269 -245 P C -2.476 174.654 177.300 -0.283 0.000 1.209 -245 P CA -0.724 62.113 63.100 -0.439 0.000 0.776 -245 P CB -0.020 31.132 31.700 -0.913 0.000 0.876 -244 P HA 0.109 nan 4.420 nan 0.000 0.271 -244 P C 0.511 177.695 177.300 -0.193 0.000 1.218 -244 P CA -0.110 62.887 63.100 -0.171 0.000 0.780 -244 P CB 0.867 32.476 31.700 -0.151 0.000 0.901 -243 K N 0.058 120.372 120.400 -0.143 0.000 2.314 -243 K HA 0.070 4.391 4.320 0.002 0.000 0.198 -243 K C 1.009 177.537 176.600 -0.120 0.000 1.045 -243 K CA 0.898 57.107 56.287 -0.130 0.000 0.988 -243 K CB -0.126 32.318 32.500 -0.092 0.000 0.783 -243 K HN 0.688 nan 8.250 nan 0.000 0.484 -242 T N -4.145 110.345 114.554 -0.107 0.000 2.893 -242 T HA 0.270 4.621 4.350 0.002 0.000 0.293 -242 T C 0.485 175.157 174.700 -0.046 0.000 1.027 -242 T CA -0.871 61.200 62.100 -0.047 0.000 0.988 -242 T CB 0.963 69.831 68.868 0.001 0.000 1.043 -242 T HN 0.118 nan 8.240 nan 0.000 0.461 -241 W N 1.147 122.404 121.300 -0.072 0.000 2.350 -241 W HA 0.013 4.675 4.660 0.002 0.000 0.289 -241 W C 2.111 178.624 176.519 -0.011 0.000 1.215 -241 W CA 1.178 58.460 57.345 -0.105 0.000 1.236 -241 W CB -0.157 29.089 29.460 -0.357 0.000 1.130 -241 W HN 0.828 nan 8.180 nan 0.000 0.541 -240 E N 0.072 120.385 120.200 0.189 0.000 2.153 -240 E HA -0.218 4.133 4.350 0.002 0.000 0.194 -240 E C 1.789 178.538 176.600 0.249 0.000 0.988 -240 E CA 1.692 58.252 56.400 0.266 0.000 0.811 -240 E CB -0.401 29.386 29.700 0.145 0.000 0.746 -240 E HN 0.490 nan 8.360 nan 0.000 0.466 -239 E N 0.093 120.374 120.200 0.136 0.000 2.481 -239 E HA -0.036 4.315 4.350 0.002 0.000 0.195 -239 E C 1.669 178.305 176.600 0.059 0.000 1.047 -239 E CA 0.250 56.693 56.400 0.073 0.000 0.867 -239 E CB -0.090 29.620 29.700 0.017 0.000 0.858 -239 E HN 0.276 nan 8.360 nan 0.000 0.513 -238 I N 1.681 122.322 120.570 0.118 0.000 2.252 -238 I HA -0.141 4.030 4.170 0.002 0.000 0.245 -238 I C -0.599 175.499 176.117 -0.032 0.000 1.102 -238 I CA 0.743 62.087 61.300 0.074 0.000 1.385 -238 I CB -0.914 37.181 38.000 0.159 0.000 1.064 -238 I HN 0.060 nan 8.210 nan 0.000 0.414 -237 P HA -0.257 nan 4.420 nan 0.000 0.214 -237 P C 1.534 178.632 177.300 -0.337 0.000 1.169 -237 P CA 2.196 65.024 63.100 -0.453 0.000 0.908 -237 P CB -0.082 31.494 31.700 -0.205 0.000 0.791 -236 A N -0.924 121.830 122.820 -0.110 0.000 1.908 -236 A HA -0.207 4.114 4.320 0.002 0.000 0.218 -236 A C 2.164 179.720 177.584 -0.045 0.000 1.181 -236 A CA 1.668 53.676 52.037 -0.049 0.000 0.627 -236 A CB -1.706 17.290 19.000 -0.006 0.000 0.818 -236 A HN 0.161 nan 8.150 nan 0.000 0.445 -235 L N 0.243 121.439 121.223 -0.045 0.000 2.083 -235 L HA -0.132 4.209 4.340 0.002 0.000 0.209 -235 L C 1.857 178.717 176.870 -0.016 0.000 1.083 -235 L CA 2.661 57.488 54.840 -0.023 0.000 0.752 -235 L CB -0.812 41.236 42.059 -0.017 0.000 0.899 -235 L HN 0.499 nan 8.230 nan 0.000 0.433 -234 D N -0.797 119.573 120.400 -0.049 0.000 2.144 -234 D HA -0.241 4.400 4.640 0.002 0.000 0.200 -234 D C 2.261 178.588 176.300 0.044 0.000 0.978 -234 D CA 1.241 55.242 54.000 0.002 0.000 0.833 -234 D CB 0.002 40.795 40.800 -0.012 0.000 0.961 -234 D HN 0.311 nan 8.370 nan 0.000 0.470 -233 K N 0.188 120.601 120.400 0.020 0.000 2.057 -233 K HA -0.142 4.179 4.320 0.002 0.000 0.206 -233 K C 1.946 178.570 176.600 0.041 0.000 1.050 -233 K CA 1.170 57.495 56.287 0.063 0.000 0.935 -233 K CB 0.028 32.565 32.500 0.062 0.000 0.715 -233 K HN 0.188 nan 8.250 nan 0.000 0.439 -232 E N 0.357 120.570 120.200 0.023 0.000 2.110 -232 E HA -0.186 4.165 4.350 0.002 0.000 0.193 -232 E C 1.984 178.598 176.600 0.024 0.000 0.988 -232 E CA 1.134 57.545 56.400 0.020 0.000 0.804 -232 E CB 0.025 29.732 29.700 0.012 0.000 0.745 -232 E HN 0.303 nan 8.360 nan 0.000 0.458 -231 L N 0.518 121.758 121.223 0.029 0.000 2.307 -231 L HA -0.049 4.292 4.340 0.002 0.000 0.211 -231 L C 2.172 179.063 176.870 0.035 0.000 1.099 -231 L CA 0.439 55.298 54.840 0.032 0.000 0.816 -231 L CB -0.004 42.077 42.059 0.037 0.000 0.952 -231 L HN -0.085 nan 8.230 nan 0.000 0.455 -230 K N 0.473 120.901 120.400 0.046 0.000 2.280 -230 K HA -0.059 4.262 4.320 0.002 0.000 0.202 -230 K C 1.905 178.524 176.600 0.031 0.000 1.047 -230 K CA 1.222 57.535 56.287 0.045 0.000 0.942 -230 K CB -0.224 32.312 32.500 0.061 0.000 0.739 -230 K HN 0.260 nan 8.250 nan 0.000 0.457 -229 A N 0.982 123.819 122.820 0.028 0.000 2.206 -229 A HA -0.047 4.274 4.320 0.002 0.000 0.211 -229 A C 1.283 178.876 177.584 0.015 0.000 1.158 -229 A CA 0.780 52.830 52.037 0.021 0.000 0.761 -229 A CB 0.010 19.022 19.000 0.020 0.000 0.801 -229 A HN 0.187 nan 8.150 nan 0.000 0.473 -228 K N -1.027 119.383 120.400 0.016 0.000 2.455 -228 K HA 0.325 4.646 4.320 0.002 0.000 0.206 -228 K C 0.748 177.353 176.600 0.009 0.000 1.027 -228 K CA 0.283 56.577 56.287 0.011 0.000 1.113 -228 K CB 0.370 32.876 32.500 0.010 0.000 0.850 -228 K HN 0.441 nan 8.250 nan 0.000 0.503 -227 G N 2.080 110.887 108.800 0.012 0.000 2.225 -227 G HA2 -0.276 3.684 3.960 0.002 0.000 0.267 -227 G HA3 -0.276 3.684 3.960 0.002 0.000 0.267 -227 G C -0.017 174.890 174.900 0.011 0.000 1.024 -227 G CA 0.655 45.761 45.100 0.010 0.000 0.784 -227 G HN 0.143 nan 8.290 nan 0.000 0.507 -226 K N -0.742 119.669 120.400 0.018 0.000 2.246 -226 K HA 0.863 5.184 4.320 0.002 0.000 0.239 -226 K C 0.044 176.667 176.600 0.039 0.000 1.089 -226 K CA -0.082 56.218 56.287 0.022 0.000 0.892 -226 K CB 1.543 34.053 32.500 0.017 0.000 1.334 -226 K HN 0.635 nan 8.250 nan 0.000 0.507 -225 S N -1.459 114.271 115.700 0.050 0.000 2.564 -225 S HA 0.566 5.036 4.470 0.002 0.000 0.274 -225 S C 0.323 174.975 174.600 0.087 0.000 1.124 -225 S CA -0.049 58.194 58.200 0.072 0.000 0.869 -225 S CB 1.701 64.945 63.200 0.073 0.000 1.105 -225 S HN 0.556 nan 8.310 nan 0.000 0.472 -224 A N 1.957 124.833 122.820 0.093 0.000 1.873 -224 A HA 0.411 4.732 4.320 0.002 0.000 0.215 -224 A C 0.605 178.263 177.584 0.123 0.000 1.186 -224 A CA 1.293 53.384 52.037 0.090 0.000 0.616 -224 A CB -0.570 18.469 19.000 0.064 0.000 0.823 -224 A HN 1.282 nan 8.150 nan 0.000 0.442 -223 L N -1.464 119.850 121.223 0.151 0.000 2.526 -223 L HA 0.701 5.042 4.340 0.002 0.000 0.263 -223 L C -1.293 175.707 176.870 0.216 0.000 0.943 -223 L CA -0.157 54.800 54.840 0.196 0.000 0.859 -223 L CB 1.787 43.978 42.059 0.220 0.000 1.313 -223 L HN 0.333 nan 8.230 nan 0.000 0.406 -222 M N 5.853 125.591 119.600 0.230 0.000 2.378 -222 M HA 0.685 5.166 4.480 0.002 0.000 0.289 -222 M C -1.493 174.944 176.300 0.228 0.000 1.136 -222 M CA -0.432 54.959 55.300 0.153 0.000 0.917 -222 M CB 2.199 34.847 32.600 0.080 0.000 1.669 -222 M HN 0.590 nan 8.290 nan 0.000 0.461 -221 F N -0.151 119.794 119.950 -0.009 0.000 2.741 -221 F HA 0.543 5.070 4.527 0.001 0.000 0.313 -221 F C -0.927 174.787 175.800 -0.144 0.000 1.153 -221 F CA -1.321 56.626 58.000 -0.088 0.000 0.931 -221 F CB 0.847 39.862 39.000 0.025 0.000 1.335 -221 F HN 0.471 nan 8.300 nan 0.000 0.460 -220 N N 1.833 120.374 118.700 -0.264 0.000 2.423 -220 N HA 0.129 4.870 4.740 0.002 0.000 0.275 -220 N C 0.214 175.615 175.510 -0.183 0.000 1.283 -220 N CA 0.124 52.950 53.050 -0.373 0.000 0.932 -220 N CB 0.332 38.372 38.487 -0.745 0.000 1.185 -220 N HN 0.798 nan 8.380 nan 0.000 0.483 -219 L N 2.049 123.143 121.223 -0.216 0.000 2.591 -219 L HA 0.068 4.409 4.340 0.002 0.000 0.228 -219 L C 1.232 178.105 176.870 0.006 0.000 1.133 -219 L CA 0.266 55.030 54.840 -0.127 0.000 0.880 -219 L CB 0.036 41.969 42.059 -0.210 0.000 1.033 -219 L HN 0.487 nan 8.230 nan 0.000 0.450 -218 Q N -0.461 119.355 119.800 0.027 0.000 2.384 -218 Q HA 0.174 4.515 4.340 0.002 0.000 0.207 -218 Q C 0.042 176.111 176.000 0.116 0.000 0.904 -218 Q CA 0.460 56.293 55.803 0.050 0.000 0.933 -218 Q CB 0.863 29.617 28.738 0.028 0.000 1.077 -218 Q HN 0.264 nan 8.270 nan 0.000 0.522 -217 E N 1.392 121.731 120.200 0.232 0.000 2.185 -217 E HA 0.193 4.544 4.350 0.002 0.000 0.261 -217 E C -1.862 174.987 176.600 0.415 0.000 0.879 -217 E CA -2.049 54.536 56.400 0.309 0.000 0.756 -217 E CB 2.062 32.016 29.700 0.424 0.000 1.152 -217 E HN -0.137 nan 8.360 nan 0.000 0.416 -216 P HA -0.223 nan 4.420 nan 0.000 0.218 -216 P C 1.364 178.972 177.300 0.513 0.000 1.146 -216 P CA 1.041 64.377 63.100 0.394 0.000 0.813 -216 P CB 0.136 32.075 31.700 0.399 0.000 0.778 -215 Y N 0.156 120.531 120.300 0.126 0.000 2.228 -215 Y HA -0.218 4.333 4.550 0.002 0.000 0.285 -215 Y C 1.952 177.913 175.900 0.102 0.000 1.178 -215 Y CA 1.651 59.760 58.100 0.014 0.000 1.202 -215 Y CB -0.991 37.251 38.460 -0.363 0.000 0.974 -215 Y HN -0.183 nan 8.280 nan 0.000 0.527 -214 F N -1.357 118.826 119.950 0.388 0.000 2.512 -214 F HA -0.032 4.495 4.527 0.001 0.000 0.296 -214 F C 2.442 178.428 175.800 0.309 0.000 1.110 -214 F CA 1.238 59.442 58.000 0.341 0.000 1.446 -214 F CB -0.430 38.900 39.000 0.549 0.000 1.092 -214 F HN 0.088 nan 8.300 nan 0.000 0.554 -213 T N -3.689 111.179 114.554 0.524 0.000 3.022 -213 T HA -0.118 4.232 4.350 0.002 0.000 0.250 -213 T C 1.825 176.656 174.700 0.219 0.000 1.060 -213 T CA -0.194 62.131 62.100 0.376 0.000 1.013 -213 T CB -0.663 68.422 68.868 0.362 0.000 0.982 -213 T HN 0.500 nan 8.240 nan 0.000 0.508 -212 W N 2.981 124.362 121.300 0.134 0.000 2.318 -212 W HA -0.090 4.572 4.660 0.002 0.000 0.313 -212 W C -1.688 174.814 176.519 -0.028 0.000 1.221 -212 W CA 1.383 58.784 57.345 0.093 0.000 1.266 -212 W CB -1.136 28.470 29.460 0.243 0.000 1.150 -212 W HN 0.291 nan 8.180 nan 0.000 0.496 -211 P HA -0.227 nan 4.420 nan 0.000 0.216 -211 P C 1.721 178.869 177.300 -0.253 0.000 1.150 -211 P CA 1.791 64.800 63.100 -0.152 0.000 0.843 -211 P CB -0.496 31.198 31.700 -0.010 0.000 0.787 -210 L N -1.583 119.461 121.223 -0.299 0.000 2.209 -210 L HA 0.088 4.429 4.340 0.002 0.000 0.207 -210 L C 2.042 178.585 176.870 -0.545 0.000 1.094 -210 L CA 1.398 55.917 54.840 -0.535 0.000 0.790 -210 L CB -0.980 40.523 42.059 -0.927 0.000 0.932 -210 L HN -0.159 nan 8.230 nan 0.000 0.447 -209 I N -0.073 120.197 120.570 -0.500 0.000 2.546 -209 I HA -0.160 4.011 4.170 0.002 0.000 0.255 -209 I C 2.386 178.121 176.117 -0.636 0.000 1.163 -209 I CA 0.992 61.991 61.300 -0.501 0.000 1.457 -209 I CB -0.383 37.368 38.000 -0.416 0.000 1.092 -209 I HN 0.373 nan 8.210 nan 0.000 0.434 -208 A N 0.436 122.738 122.820 -0.863 0.000 1.984 -208 A HA 0.131 4.452 4.320 0.002 0.000 0.214 -208 A C 2.538 179.918 177.584 -0.340 0.000 1.173 -208 A CA 0.976 52.560 52.037 -0.755 0.000 0.673 -208 A CB -0.497 17.910 19.000 -0.989 0.000 0.830 -208 A HN 0.340 nan 8.150 nan 0.000 0.453 -207 A N 0.352 123.019 122.820 -0.255 0.000 1.896 -207 A HA -0.300 4.021 4.320 0.002 0.000 0.220 -207 A C 1.759 179.331 177.584 -0.020 0.000 1.206 -207 A CA 2.435 54.426 52.037 -0.078 0.000 0.647 -207 A CB -0.589 18.424 19.000 0.022 0.000 0.828 -207 A HN 0.460 nan 8.150 nan 0.000 0.455 -206 D N -3.181 117.232 120.400 0.021 0.000 2.340 -206 D HA 0.346 4.987 4.640 0.002 0.000 0.217 -206 D C 0.910 177.202 176.300 -0.013 0.000 1.081 -206 D CA 1.120 55.124 54.000 0.006 0.000 0.842 -206 D CB 0.205 41.030 40.800 0.042 0.000 0.934 -206 D HN 0.533 nan 8.370 nan 0.000 0.511 -205 G N -1.188 107.596 108.800 -0.026 0.000 2.902 -205 G HA2 -0.026 3.935 3.960 0.002 0.000 0.215 -205 G HA3 -0.026 3.935 3.960 0.002 0.000 0.215 -205 G C 0.698 175.634 174.900 0.061 0.000 0.976 -205 G CA -0.213 44.904 45.100 0.027 0.000 0.794 -205 G HN 0.467 nan 8.290 nan 0.000 0.557 -204 G N 0.402 109.149 108.800 -0.089 0.000 2.441 -204 G HA2 0.639 4.600 3.960 0.002 0.000 0.243 -204 G HA3 0.639 4.600 3.960 0.002 0.000 0.243 -204 G C -0.292 174.579 174.900 -0.049 0.000 1.281 -204 G CA 0.478 45.479 45.100 -0.166 0.000 0.854 -204 G HN 1.383 nan 8.290 nan 0.000 0.560 -203 Y N -1.414 118.926 120.300 0.065 0.000 2.597 -203 Y HA 0.727 5.278 4.550 0.002 0.000 0.340 -203 Y C 0.621 176.687 175.900 0.277 0.000 1.097 -203 Y CA -0.839 57.395 58.100 0.223 0.000 1.037 -203 Y CB 0.807 39.339 38.460 0.121 0.000 1.305 -203 Y HN 0.678 nan 8.280 nan 0.000 0.463 -202 A N 1.608 124.581 122.820 0.255 0.000 1.861 -202 A HA 0.322 4.643 4.320 0.002 0.000 0.214 -202 A C -0.397 176.860 177.584 -0.545 0.000 1.322 -202 A CA 0.952 52.635 52.037 -0.591 0.000 0.601 -202 A CB -0.543 17.854 19.000 -1.004 0.000 0.966 -202 A HN 0.580 nan 8.150 nan 0.000 0.471 -201 F N -0.637 119.403 119.950 0.151 0.000 2.507 -201 F HA 0.498 5.027 4.527 0.003 0.000 0.325 -201 F C 0.112 176.194 175.800 0.469 0.000 1.116 -201 F CA -0.855 57.325 58.000 0.300 0.000 0.930 -201 F CB 1.687 40.786 39.000 0.164 0.000 1.146 -201 F HN 0.141 nan 8.300 nan 0.000 0.447 -200 K N 2.606 123.326 120.400 0.533 0.000 2.416 -200 K HA 0.069 4.390 4.320 0.002 0.000 0.283 -200 K C -1.408 175.312 176.600 0.201 0.000 1.037 -200 K CA 0.036 56.438 56.287 0.191 0.000 0.995 -200 K CB 0.248 32.788 32.500 0.067 0.000 0.938 -200 K HN 0.639 nan 8.250 nan 0.000 0.475 -199 Y N 4.575 124.850 120.300 -0.042 0.000 2.328 -199 Y HA 0.260 4.811 4.550 0.001 0.000 0.337 -199 Y C -0.959 174.841 175.900 -0.167 0.000 1.008 -199 Y CA -0.144 57.817 58.100 -0.231 0.000 1.129 -199 Y CB 0.821 39.050 38.460 -0.385 0.000 1.185 -199 Y HN 0.748 nan 8.280 nan 0.000 0.476 -198 E N 3.485 123.239 120.200 -0.744 0.000 2.388 -198 E HA 0.220 4.571 4.350 0.002 0.000 0.282 -198 E C -1.113 175.160 176.600 -0.545 0.000 1.026 -198 E CA -1.161 54.926 56.400 -0.522 0.000 0.820 -198 E CB 0.795 30.359 29.700 -0.227 0.000 1.226 -198 E HN 0.570 nan 8.360 nan 0.000 0.432 -197 N N 0.513 118.990 118.700 -0.372 0.000 2.727 -197 N HA -0.213 4.528 4.740 0.002 0.000 0.249 -197 N C 0.804 176.123 175.510 -0.318 0.000 1.048 -197 N CA 1.815 54.710 53.050 -0.259 0.000 0.714 -197 N CB -1.564 36.818 38.487 -0.174 0.000 0.959 -197 N HN 1.243 nan 8.380 nan 0.000 0.544 -196 G N -1.677 106.836 108.800 -0.480 0.000 2.166 -196 G HA2 -0.372 3.588 3.960 0.002 0.000 0.260 -196 G HA3 -0.372 3.588 3.960 0.002 0.000 0.260 -196 G C 0.018 174.723 174.900 -0.324 0.000 0.986 -196 G CA 1.135 46.066 45.100 -0.282 0.000 0.683 -196 G HN 0.617 nan 8.290 nan 0.000 0.527 -195 K N -1.214 118.791 120.400 -0.658 0.000 2.469 -195 K HA 0.567 4.888 4.320 0.002 0.000 0.254 -195 K C -1.072 175.300 176.600 -0.380 0.000 0.939 -195 K CA -0.957 55.143 56.287 -0.312 0.000 0.812 -195 K CB 1.537 33.941 32.500 -0.160 0.000 1.301 -195 K HN 0.067 nan 8.250 nan 0.000 0.433 -194 Y N 0.937 121.264 120.300 0.046 0.000 2.327 -194 Y HA 0.084 4.635 4.550 0.001 0.000 0.336 -194 Y C 0.181 176.105 175.900 0.040 0.000 1.035 -194 Y CA -0.355 57.811 58.100 0.110 0.000 1.165 -194 Y CB 0.839 39.368 38.460 0.114 0.000 1.181 -194 Y HN 0.465 nan 8.280 nan 0.000 0.494 -193 D N 4.559 125.090 120.400 0.218 0.000 2.393 -193 D HA 0.070 4.711 4.640 0.002 0.000 0.232 -193 D C 0.999 177.456 176.300 0.261 0.000 1.192 -193 D CA -0.184 53.917 54.000 0.169 0.000 0.882 -193 D CB 0.364 41.242 40.800 0.129 0.000 1.038 -193 D HN 0.616 nan 8.370 nan 0.000 0.499 -192 I N 0.567 121.232 120.570 0.157 0.000 3.083 -192 I HA -0.079 4.092 4.170 0.002 0.000 0.273 -192 I C 1.136 177.413 176.117 0.265 0.000 1.297 -192 I CA 0.622 62.021 61.300 0.165 0.000 1.452 -192 I CB -0.070 37.908 38.000 -0.036 0.000 1.078 -192 I HN 0.082 nan 8.210 nan 0.000 0.484 -191 K N 0.538 121.059 120.400 0.201 0.000 2.404 -191 K HA 0.094 4.415 4.320 0.002 0.000 0.194 -191 K C -0.020 176.690 176.600 0.182 0.000 1.023 -191 K CA 0.121 56.508 56.287 0.167 0.000 1.094 -191 K CB 0.153 32.720 32.500 0.112 0.000 0.841 -191 K HN 0.217 nan 8.250 nan 0.000 0.523 -190 D N 1.465 122.013 120.400 0.246 0.000 2.438 -190 D HA 0.131 4.772 4.640 0.002 0.000 0.257 -190 D C -1.318 175.166 176.300 0.306 0.000 1.148 -190 D CA -0.415 53.737 54.000 0.255 0.000 0.902 -190 D CB 0.939 41.889 40.800 0.249 0.000 1.062 -190 D HN -0.271 nan 8.370 nan 0.000 0.518 -189 V N 2.238 122.227 119.914 0.125 0.000 2.435 -189 V HA 0.656 4.777 4.120 0.002 0.000 0.290 -189 V C 1.212 177.101 176.094 -0.341 0.000 1.030 -189 V CA -0.773 61.458 62.300 -0.116 0.000 0.881 -189 V CB 1.904 33.651 31.823 -0.128 0.000 0.983 -189 V HN 0.590 nan 8.190 nan 0.000 0.445 -188 G N 2.563 110.838 108.800 -0.874 0.000 4.486 -188 G HA2 0.312 4.273 3.960 0.002 0.000 0.306 -188 G HA3 0.312 4.273 3.960 0.002 0.000 0.306 -188 G C 0.418 174.996 174.900 -0.537 0.000 1.331 -188 G CA 0.029 44.355 45.100 -1.290 0.000 1.113 -188 G HN 0.539 nan 8.290 nan 0.000 0.594 -187 V N -0.483 119.296 119.914 -0.225 0.000 3.590 -187 V HA 0.111 4.232 4.120 0.002 0.000 0.265 -187 V C 1.214 177.290 176.094 -0.030 0.000 1.239 -187 V CA 1.284 63.576 62.300 -0.013 0.000 1.117 -187 V CB 0.819 32.690 31.823 0.081 0.000 0.818 -187 V HN 0.414 nan 8.190 nan 0.000 0.451 -186 D N -0.351 120.009 120.400 -0.067 0.000 2.563 -186 D HA 0.108 4.749 4.640 0.002 0.000 0.237 -186 D C 0.512 176.790 176.300 -0.036 0.000 1.282 -186 D CA -0.172 53.807 54.000 -0.035 0.000 0.816 -186 D CB 0.047 40.836 40.800 -0.017 0.000 1.066 -186 D HN 0.587 nan 8.370 nan 0.000 0.501 -185 N N -0.247 118.417 118.700 -0.060 0.000 2.327 -185 N HA 0.242 4.983 4.740 0.002 0.000 0.257 -185 N C 1.403 176.907 175.510 -0.010 0.000 1.281 -185 N CA 0.187 53.221 53.050 -0.027 0.000 0.942 -185 N CB 0.197 38.675 38.487 -0.015 0.000 1.199 -185 N HN -0.127 nan 8.380 nan 0.000 0.532 -184 A N -0.372 122.453 122.820 0.007 0.000 1.883 -184 A HA -0.040 4.281 4.320 0.002 0.000 0.217 -184 A C 2.082 179.673 177.584 0.012 0.000 1.186 -184 A CA 2.209 54.252 52.037 0.011 0.000 0.624 -184 A CB -1.799 17.208 19.000 0.012 0.000 0.822 -184 A HN 0.818 nan 8.150 nan 0.000 0.444 -183 G N -0.620 108.185 108.800 0.008 0.000 2.446 -183 G HA2 -0.033 3.928 3.960 0.002 0.000 0.217 -183 G HA3 -0.033 3.928 3.960 0.002 0.000 0.217 -183 G C 1.801 176.694 174.900 -0.012 0.000 1.168 -183 G CA 1.733 46.838 45.100 0.009 0.000 0.771 -183 G HN 0.868 nan 8.290 nan 0.000 0.551 -182 A N 0.855 123.640 122.820 -0.059 0.000 1.883 -182 A HA -0.076 4.245 4.320 0.002 0.000 0.217 -182 A C 2.310 179.863 177.584 -0.051 0.000 1.186 -182 A CA 2.149 54.128 52.037 -0.096 0.000 0.624 -182 A CB -0.455 18.492 19.000 -0.088 0.000 0.822 -182 A HN 0.391 nan 8.150 nan 0.000 0.444 -181 K N -0.463 119.927 120.400 -0.016 0.000 2.063 -181 K HA -0.124 4.197 4.320 0.002 0.000 0.208 -181 K C 2.331 178.951 176.600 0.033 0.000 1.048 -181 K CA 1.230 57.519 56.287 0.005 0.000 0.928 -181 K CB -0.352 32.156 32.500 0.012 0.000 0.713 -181 K HN 0.472 nan 8.250 nan 0.000 0.442 -180 A N 1.148 124.015 122.820 0.078 0.000 1.877 -180 A HA -0.092 4.229 4.320 0.002 0.000 0.216 -180 A C 2.443 180.138 177.584 0.186 0.000 1.186 -180 A CA 1.936 54.090 52.037 0.195 0.000 0.620 -180 A CB -1.311 17.839 19.000 0.249 0.000 0.822 -180 A HN 0.429 nan 8.150 nan 0.000 0.443 -179 G N -0.217 108.598 108.800 0.025 0.000 2.476 -179 G HA2 -0.217 3.744 3.960 0.002 0.000 0.218 -179 G HA3 -0.217 3.744 3.960 0.002 0.000 0.218 -179 G C 1.499 176.211 174.900 -0.312 0.000 1.164 -179 G CA 1.378 46.234 45.100 -0.406 0.000 0.768 -179 G HN 0.473 nan 8.290 nan 0.000 0.560 -178 L N 0.691 121.827 121.223 -0.145 0.000 2.109 -178 L HA 0.083 4.424 4.340 0.002 0.000 0.207 -178 L C 2.952 179.793 176.870 -0.049 0.000 1.086 -178 L CA 2.257 57.044 54.840 -0.089 0.000 0.760 -178 L CB -0.858 41.175 42.059 -0.044 0.000 0.910 -178 L HN 0.184 nan 8.230 nan 0.000 0.437 -177 T N -0.642 113.906 114.554 -0.009 0.000 2.684 -177 T HA -0.250 4.101 4.350 0.002 0.000 0.267 -177 T C 1.657 176.371 174.700 0.024 0.000 1.036 -177 T CA 2.007 64.119 62.100 0.021 0.000 1.148 -177 T CB -0.550 68.357 68.868 0.066 0.000 0.863 -177 T HN 0.372 nan 8.240 nan 0.000 0.436 -176 F N 1.214 121.099 119.950 -0.108 0.000 2.126 -176 F HA -0.070 4.457 4.527 0.001 0.000 0.299 -176 F C 2.027 177.748 175.800 -0.131 0.000 1.096 -176 F CA 0.944 58.872 58.000 -0.121 0.000 1.255 -176 F CB -0.384 38.433 39.000 -0.305 0.000 0.997 -176 F HN 0.053 nan 8.300 nan 0.000 0.479 -175 L N -0.515 120.678 121.223 -0.051 0.000 2.017 -175 L HA -0.170 4.171 4.340 0.002 0.000 0.208 -175 L C 2.209 179.031 176.870 -0.080 0.000 1.073 -175 L CA 1.426 56.230 54.840 -0.059 0.000 0.745 -175 L CB -0.633 41.395 42.059 -0.052 0.000 0.894 -175 L HN 0.009 nan 8.230 nan 0.000 0.432 -174 V N -0.143 119.726 119.914 -0.074 0.000 2.407 -174 V HA -0.282 3.839 4.120 0.002 0.000 0.248 -174 V C 2.160 178.197 176.094 -0.094 0.000 1.055 -174 V CA 1.936 64.195 62.300 -0.068 0.000 1.049 -174 V CB -0.745 31.049 31.823 -0.047 0.000 0.662 -174 V HN 0.499 nan 8.190 nan 0.000 0.455 -173 D N -0.046 120.273 120.400 -0.136 0.000 2.144 -173 D HA -0.100 4.541 4.640 0.002 0.000 0.200 -173 D C 2.168 178.365 176.300 -0.171 0.000 0.978 -173 D CA 1.029 54.933 54.000 -0.160 0.000 0.833 -173 D CB -0.166 40.522 40.800 -0.188 0.000 0.961 -173 D HN 0.337 nan 8.370 nan 0.000 0.470 -172 L N 0.406 121.495 121.223 -0.223 0.000 2.042 -172 L HA -0.180 4.161 4.340 0.002 0.000 0.210 -172 L C 2.469 179.315 176.870 -0.039 0.000 1.076 -172 L CA 0.847 55.647 54.840 -0.067 0.000 0.749 -172 L CB -0.295 41.759 42.059 -0.008 0.000 0.893 -172 L HN 0.043 nan 8.230 nan 0.000 0.432 -171 I N -0.561 119.969 120.570 -0.066 0.000 2.233 -171 I HA -0.261 3.910 4.170 0.002 0.000 0.243 -171 I C 2.533 178.591 176.117 -0.097 0.000 1.093 -171 I CA 1.195 62.452 61.300 -0.072 0.000 1.380 -171 I CB -0.281 37.681 38.000 -0.065 0.000 1.067 -171 I HN 0.144 nan 8.210 nan 0.000 0.413 -170 K N 0.914 121.258 120.400 -0.094 0.000 2.113 -170 K HA -0.194 4.127 4.320 0.002 0.000 0.208 -170 K C 1.290 177.814 176.600 -0.128 0.000 1.047 -170 K CA 1.876 58.107 56.287 -0.093 0.000 0.928 -170 K CB -0.390 32.066 32.500 -0.074 0.000 0.716 -170 K HN 0.434 nan 8.250 nan 0.000 0.446 -169 N N 0.538 119.133 118.700 -0.175 0.000 2.383 -169 N HA 0.021 4.761 4.740 0.002 0.000 0.192 -169 N C -0.790 174.393 175.510 -0.545 0.000 1.141 -169 N CA -0.001 52.870 53.050 -0.299 0.000 0.851 -169 N CB 0.353 38.703 38.487 -0.229 0.000 0.976 -169 N HN 0.038 nan 8.380 nan 0.000 0.465 -168 K N 0.000 120.197 120.400 -0.340 0.000 3.117 -168 K HA -0.210 4.111 4.320 0.002 0.000 0.269 -168 K C -0.555 175.870 176.600 -0.291 0.000 1.098 -168 K CA 0.477 56.607 56.287 -0.262 0.000 0.785 -168 K CB -1.829 30.554 32.500 -0.195 0.000 1.242 -168 K HN 0.565 nan 8.250 nan 0.000 0.491 -167 H N -1.025 118.039 119.070 -0.011 0.000 2.595 -167 H HA 0.280 4.836 4.556 0.001 0.000 0.265 -167 H C 1.075 176.417 175.328 0.023 0.000 0.953 -167 H CA 0.514 56.570 56.048 0.015 0.000 1.197 -167 H CB 0.388 30.166 29.762 0.027 0.000 1.438 -167 H HN 0.251 nan 8.280 nan 0.000 0.531 -166 M N -0.102 119.540 119.600 0.070 0.000 2.664 -166 M HA 0.259 4.739 4.480 0.002 0.000 0.279 -166 M C -0.742 175.538 176.300 -0.033 0.000 1.275 -166 M CA -0.733 54.580 55.300 0.021 0.000 0.829 -166 M CB 2.990 35.598 32.600 0.014 0.000 1.727 -166 M HN -0.142 nan 8.290 nan 0.000 0.459 -165 N N 0.177 118.843 118.700 -0.056 0.000 2.399 -165 N HA 0.467 5.208 4.740 0.002 0.000 0.280 -165 N C 0.146 175.607 175.510 -0.082 0.000 1.008 -165 N CA 0.101 53.114 53.050 -0.062 0.000 0.894 -165 N CB 2.171 40.628 38.487 -0.050 0.000 1.273 -165 N HN 0.826 nan 8.380 nan 0.000 0.486 -164 A N 3.148 125.925 122.820 -0.072 0.000 1.958 -164 A HA -0.199 4.122 4.320 0.002 0.000 0.221 -164 A C 1.309 178.850 177.584 -0.072 0.000 1.178 -164 A CA 1.672 53.665 52.037 -0.073 0.000 0.642 -164 A CB -0.188 18.777 19.000 -0.058 0.000 0.816 -164 A HN 0.712 nan 8.150 nan 0.000 0.453 -163 D N -0.270 120.093 120.400 -0.061 0.000 2.264 -163 D HA -0.004 4.637 4.640 0.002 0.000 0.208 -163 D C 0.455 176.719 176.300 -0.060 0.000 0.966 -163 D CA 0.829 54.798 54.000 -0.052 0.000 0.864 -163 D CB -0.602 40.175 40.800 -0.039 0.000 0.933 -163 D HN 0.331 nan 8.370 nan 0.000 0.499 -162 T N 2.235 116.738 114.554 -0.085 0.000 2.871 -162 T HA 0.159 4.510 4.350 0.002 0.000 0.296 -162 T C 0.195 174.831 174.700 -0.107 0.000 0.998 -162 T CA 0.002 62.041 62.100 -0.101 0.000 1.162 -162 T CB 0.581 69.361 68.868 -0.148 0.000 0.947 -162 T HN 0.218 nan 8.240 nan 0.000 0.536 -161 D N 1.218 121.575 120.400 -0.071 0.000 2.727 -161 D HA 0.178 4.819 4.640 0.002 0.000 0.264 -161 D C 0.939 177.217 176.300 -0.037 0.000 1.101 -161 D CA -1.029 52.946 54.000 -0.040 0.000 1.122 -161 D CB 0.092 40.900 40.800 0.012 0.000 1.390 -161 D HN 0.314 nan 8.370 nan 0.000 0.606 -160 Y N 0.521 120.760 120.300 -0.101 0.000 2.114 -160 Y HA -0.240 4.311 4.550 0.001 0.000 0.282 -160 Y C 2.384 178.274 175.900 -0.017 0.000 1.165 -160 Y CA 2.764 60.813 58.100 -0.084 0.000 1.148 -160 Y CB -0.229 38.210 38.460 -0.034 0.000 0.972 -160 Y HN 0.347 nan 8.280 nan 0.000 0.504 -159 S N 0.144 115.938 115.700 0.158 0.000 2.368 -159 S HA -0.164 4.307 4.470 0.002 0.000 0.224 -159 S C 2.018 176.630 174.600 0.019 0.000 1.029 -159 S CA 1.531 59.794 58.200 0.105 0.000 0.988 -159 S CB -0.476 62.788 63.200 0.107 0.000 0.838 -159 S HN 0.438 nan 8.310 nan 0.000 0.462 -158 I N 1.995 122.566 120.570 0.001 0.000 2.142 -158 I HA -0.226 3.945 4.170 0.002 0.000 0.240 -158 I C 2.811 178.913 176.117 -0.024 0.000 1.078 -158 I CA 1.193 62.487 61.300 -0.010 0.000 1.343 -158 I CB -0.602 37.388 38.000 -0.017 0.000 1.046 -158 I HN 0.272 nan 8.210 nan 0.000 0.405 -157 A N 0.291 123.070 122.820 -0.068 0.000 1.892 -157 A HA -0.317 4.004 4.320 0.002 0.000 0.218 -157 A C 2.315 179.873 177.584 -0.043 0.000 1.188 -157 A CA 2.288 54.285 52.037 -0.066 0.000 0.631 -157 A CB -0.837 18.080 19.000 -0.138 0.000 0.822 -157 A HN 0.538 nan 8.150 nan 0.000 0.447 -156 E N -0.306 119.813 120.200 -0.136 0.000 2.058 -156 E HA -0.142 4.209 4.350 0.002 0.000 0.194 -156 E C 2.133 178.756 176.600 0.038 0.000 0.997 -156 E CA 1.197 57.552 56.400 -0.075 0.000 0.801 -156 E CB -0.294 29.328 29.700 -0.131 0.000 0.746 -156 E HN 0.531 nan 8.360 nan 0.000 0.450 -155 A N 0.936 123.771 122.820 0.025 0.000 1.933 -155 A HA -0.056 4.265 4.320 0.002 0.000 0.218 -155 A C 2.332 179.935 177.584 0.032 0.000 1.175 -155 A CA 1.711 53.768 52.037 0.033 0.000 0.628 -155 A CB -0.625 18.391 19.000 0.027 0.000 0.814 -155 A HN 0.426 nan 8.150 nan 0.000 0.444 -154 A N -1.418 121.427 122.820 0.042 0.000 1.897 -154 A HA 0.046 4.367 4.320 0.002 0.000 0.215 -154 A C 2.043 179.663 177.584 0.060 0.000 1.181 -154 A CA 1.372 53.435 52.037 0.043 0.000 0.620 -154 A CB -0.642 18.387 19.000 0.049 0.000 0.821 -154 A HN 0.605 nan 8.150 nan 0.000 0.443 -153 F N 1.247 121.181 119.950 -0.027 0.000 2.146 -153 F HA -0.135 4.393 4.527 0.001 0.000 0.298 -153 F C 1.917 177.698 175.800 -0.031 0.000 1.096 -153 F CA 1.989 59.974 58.000 -0.024 0.000 1.275 -153 F CB -0.267 38.713 39.000 -0.034 0.000 1.008 -153 F HN 0.295 nan 8.300 nan 0.000 0.480 -152 N N -0.313 118.407 118.700 0.033 0.000 2.459 -152 N HA -0.094 4.647 4.740 0.002 0.000 0.181 -152 N C 1.054 176.503 175.510 -0.102 0.000 1.046 -152 N CA 0.359 53.383 53.050 -0.042 0.000 0.904 -152 N CB -0.043 38.469 38.487 0.042 0.000 0.964 -152 N HN 0.277 nan 8.380 nan 0.000 0.444 -151 K N 0.253 120.597 120.400 -0.092 0.000 2.387 -151 K HA 0.099 4.420 4.320 0.002 0.000 0.198 -151 K C 0.578 177.108 176.600 -0.117 0.000 1.022 -151 K CA -0.076 56.163 56.287 -0.080 0.000 1.128 -151 K CB 0.641 33.117 32.500 -0.040 0.000 0.853 -151 K HN 0.149 nan 8.250 nan 0.000 0.523 -150 G N 2.108 110.782 108.800 -0.210 0.000 2.221 -150 G HA2 -0.291 3.670 3.960 0.002 0.000 0.265 -150 G HA3 -0.291 3.670 3.960 0.002 0.000 0.265 -150 G C 0.313 175.134 174.900 -0.133 0.000 1.041 -150 G CA 0.602 45.569 45.100 -0.221 0.000 0.807 -150 G HN 0.497 nan 8.290 nan 0.000 0.502 -149 E N -1.336 118.806 120.200 -0.096 0.000 2.340 -149 E HA 0.134 4.485 4.350 0.002 0.000 0.198 -149 E C 1.063 177.664 176.600 0.000 0.000 0.961 -149 E CA 0.759 57.139 56.400 -0.034 0.000 0.905 -149 E CB 0.631 30.323 29.700 -0.014 0.000 0.884 -149 E HN 0.317 nan 8.360 nan 0.000 0.491 -148 T N -1.065 113.499 114.554 0.018 0.000 2.887 -148 T HA 0.486 4.836 4.350 0.002 0.000 0.288 -148 T C 0.333 175.109 174.700 0.126 0.000 1.021 -148 T CA -0.219 61.939 62.100 0.097 0.000 1.000 -148 T CB 1.717 70.679 68.868 0.156 0.000 1.034 -148 T HN 0.012 nan 8.240 nan 0.000 0.467 -147 A N 4.112 127.027 122.820 0.159 0.000 2.021 -147 A HA 0.438 4.759 4.320 0.002 0.000 0.216 -147 A C 0.746 178.565 177.584 0.392 0.000 1.163 -147 A CA 0.698 52.847 52.037 0.188 0.000 0.676 -147 A CB -0.093 18.986 19.000 0.133 0.000 0.818 -147 A HN 0.726 nan 8.150 nan 0.000 0.453 -146 M N -1.716 118.109 119.600 0.375 0.000 2.484 -146 M HA 0.434 4.915 4.480 0.002 0.000 0.289 -146 M C -0.754 175.627 176.300 0.135 0.000 1.206 -146 M CA -0.210 55.259 55.300 0.281 0.000 0.892 -146 M CB 2.528 35.202 32.600 0.122 0.000 1.712 -146 M HN 0.058 nan 8.290 nan 0.000 0.462 -145 T N 1.384 115.826 114.554 -0.187 0.000 2.865 -145 T HA 0.805 5.156 4.350 0.002 0.000 0.294 -145 T C -1.741 172.863 174.700 -0.160 0.000 1.119 -145 T CA -0.544 61.446 62.100 -0.185 0.000 1.007 -145 T CB 1.460 70.079 68.868 -0.416 0.000 1.225 -145 T HN 0.569 nan 8.240 nan 0.000 0.515 -144 I N 3.610 124.155 120.570 -0.041 0.000 2.410 -144 I HA 0.531 4.702 4.170 0.002 0.000 0.286 -144 I C -0.269 175.950 176.117 0.170 0.000 1.009 -144 I CA -0.655 60.633 61.300 -0.020 0.000 1.111 -144 I CB 1.492 39.383 38.000 -0.182 0.000 1.262 -144 I HN 0.458 nan 8.210 nan 0.000 0.443 -143 N N 3.096 121.852 118.700 0.094 0.000 3.116 -143 N HA 0.545 5.286 4.740 0.002 0.000 0.244 -143 N C -0.826 174.566 175.510 -0.197 0.000 1.485 -143 N CA -0.353 52.774 53.050 0.129 0.000 0.884 -143 N CB 2.337 40.820 38.487 -0.007 0.000 1.415 -143 N HN 0.601 nan 8.380 nan 0.000 0.524 -142 G N -0.030 108.312 108.800 -0.763 0.000 2.613 -142 G HA2 0.454 4.415 3.960 0.002 0.000 0.303 -142 G HA3 0.454 4.415 3.960 0.002 0.000 0.303 -142 G C -1.912 172.008 174.900 -1.634 0.000 1.312 -142 G CA -1.052 43.189 45.100 -1.432 0.000 1.036 -142 G HN 0.357 nan 8.290 nan 0.000 0.513 -141 P HA -0.082 nan 4.420 nan 0.000 0.218 -141 P C 1.331 177.806 177.300 -1.376 0.000 1.148 -141 P CA 1.402 63.289 63.100 -2.022 0.000 0.822 -141 P CB -0.007 30.912 31.700 -1.302 0.000 0.784 -140 W N -0.325 120.676 121.300 -0.498 0.000 2.468 -140 W HA 0.062 4.722 4.660 0.001 0.000 0.262 -140 W C 1.742 178.169 176.519 -0.154 0.000 1.241 -140 W CA 0.857 58.045 57.345 -0.261 0.000 1.232 -140 W CB -1.825 27.542 29.460 -0.156 0.000 1.124 -140 W HN -0.134 nan 8.180 nan 0.000 0.597 -139 A N -0.133 122.408 122.820 -0.465 0.000 2.132 -139 A HA 0.068 4.389 4.320 0.002 0.000 0.213 -139 A C 1.546 179.125 177.584 -0.008 0.000 1.154 -139 A CA 0.640 52.608 52.037 -0.116 0.000 0.753 -139 A CB -1.080 17.817 19.000 -0.172 0.000 0.826 -139 A HN 0.386 nan 8.150 nan 0.000 0.469 -138 W N 0.164 121.379 121.300 -0.143 0.000 2.363 -138 W HA -0.080 4.581 4.660 0.001 0.000 0.296 -138 W C 2.636 179.100 176.519 -0.091 0.000 1.212 -138 W CA 0.597 57.848 57.345 -0.156 0.000 1.260 -138 W CB -1.504 27.957 29.460 0.001 0.000 1.131 -138 W HN 0.374 nan 8.180 nan 0.000 0.530 -137 S N 0.671 116.489 115.700 0.197 0.000 2.359 -137 S HA -0.201 4.270 4.470 0.002 0.000 0.223 -137 S C 1.740 176.391 174.600 0.085 0.000 1.039 -137 S CA 1.831 60.112 58.200 0.135 0.000 1.042 -137 S CB -0.335 62.923 63.200 0.095 0.000 0.915 -137 S HN 0.181 nan 8.310 nan 0.000 0.439 -136 N N 1.230 119.971 118.700 0.068 0.000 2.244 -136 N HA 0.038 4.779 4.740 0.002 0.000 0.183 -136 N C 1.667 177.194 175.510 0.027 0.000 1.016 -136 N CA 1.013 54.094 53.050 0.053 0.000 0.866 -136 N CB -0.465 38.064 38.487 0.071 0.000 0.980 -136 N HN 0.500 nan 8.380 nan 0.000 0.430 -135 I N 0.990 121.545 120.570 -0.024 0.000 2.252 -135 I HA -0.213 3.958 4.170 0.002 0.000 0.245 -135 I C 1.552 177.655 176.117 -0.024 0.000 1.102 -135 I CA 0.993 62.226 61.300 -0.112 0.000 1.385 -135 I CB -0.296 37.419 38.000 -0.474 0.000 1.064 -135 I HN -0.054 nan 8.210 nan 0.000 0.414 -134 D N 0.922 121.356 120.400 0.057 0.000 2.116 -134 D HA -0.173 4.467 4.640 0.002 0.000 0.193 -134 D C 2.223 178.575 176.300 0.087 0.000 0.998 -134 D CA 1.937 56.027 54.000 0.149 0.000 0.836 -134 D CB -0.491 40.405 40.800 0.161 0.000 0.951 -134 D HN 0.301 nan 8.370 nan 0.000 0.449 -133 T N 0.321 114.911 114.554 0.061 0.000 2.746 -133 T HA -0.148 4.203 4.350 0.002 0.000 0.267 -133 T C 2.039 176.757 174.700 0.030 0.000 1.039 -133 T CA 1.822 63.947 62.100 0.042 0.000 1.142 -133 T CB -0.319 68.571 68.868 0.037 0.000 0.866 -133 T HN 0.238 nan 8.240 nan 0.000 0.444 -132 S N 0.781 116.495 115.700 0.024 0.000 2.507 -132 S HA -0.014 4.457 4.470 0.002 0.000 0.235 -132 S C 0.997 175.598 174.600 0.001 0.000 0.988 -132 S CA 0.809 59.012 58.200 0.005 0.000 0.944 -132 S CB -0.511 62.683 63.200 -0.009 0.000 0.762 -132 S HN 0.535 nan 8.310 nan 0.000 0.526 -131 K N -0.401 120.014 120.400 0.025 0.000 3.209 -131 K HA -0.113 4.208 4.320 0.002 0.000 0.289 -131 K C -0.645 175.962 176.600 0.011 0.000 1.191 -131 K CA 0.564 56.866 56.287 0.026 0.000 0.851 -131 K CB -2.173 30.333 32.500 0.009 0.000 1.242 -131 K HN 0.378 nan 8.250 nan 0.000 0.480 -130 V N 1.767 121.684 119.914 0.006 0.000 2.555 -130 V HA 0.007 4.128 4.120 0.002 0.000 0.286 -130 V C 0.738 176.880 176.094 0.080 0.000 1.044 -130 V CA -0.368 61.914 62.300 -0.030 0.000 1.026 -130 V CB 1.194 32.917 31.823 -0.166 0.000 0.981 -130 V HN 0.219 nan 8.190 nan 0.000 0.480 -129 N N 5.291 123.995 118.700 0.007 0.000 2.421 -129 N HA 0.118 4.859 4.740 0.002 0.000 0.260 -129 N C -0.830 174.657 175.510 -0.039 0.000 1.173 -129 N CA -0.101 52.933 53.050 -0.027 0.000 0.960 -129 N CB -0.196 38.250 38.487 -0.068 0.000 1.273 -129 N HN 0.582 nan 8.380 nan 0.000 0.497 -128 Y N 0.473 120.679 120.300 -0.156 0.000 2.487 -128 Y HA 0.861 5.412 4.550 0.001 0.000 0.337 -128 Y C 0.378 176.058 175.900 -0.366 0.000 1.076 -128 Y CA -1.576 56.400 58.100 -0.207 0.000 1.115 -128 Y CB 0.782 39.248 38.460 0.010 0.000 1.235 -128 Y HN 0.248 nan 8.280 nan 0.000 0.468 -127 G N 0.812 109.232 108.800 -0.634 0.000 2.473 -127 G HA2 0.598 4.559 3.960 0.002 0.000 0.321 -127 G HA3 0.598 4.559 3.960 0.002 0.000 0.321 -127 G C -1.951 172.870 174.900 -0.132 0.000 1.200 -127 G CA -1.168 43.587 45.100 -0.575 0.000 0.963 -127 G HN 0.680 nan 8.290 nan 0.000 0.483 -126 V N 0.462 120.349 119.914 -0.046 0.000 2.443 -126 V HA 0.698 4.819 4.120 0.002 0.000 0.293 -126 V C 0.129 176.265 176.094 0.070 0.000 1.021 -126 V CA -0.485 61.832 62.300 0.028 0.000 0.848 -126 V CB 1.199 32.934 31.823 -0.147 0.000 0.998 -126 V HN 0.914 nan 8.190 nan 0.000 0.424 -125 T N 2.790 117.407 114.554 0.105 0.000 2.838 -125 T HA 0.533 4.883 4.350 0.002 0.000 0.292 -125 T C -0.776 173.914 174.700 -0.017 0.000 1.113 -125 T CA -0.374 61.746 62.100 0.033 0.000 1.008 -125 T CB 2.063 70.924 68.868 -0.012 0.000 1.259 -125 T HN 0.469 nan 8.240 nan 0.000 0.520 -124 V N 3.420 123.305 119.914 -0.048 0.000 2.694 -124 V HA 0.274 4.395 4.120 0.002 0.000 0.306 -124 V C 0.332 176.369 176.094 -0.095 0.000 1.054 -124 V CA 0.094 62.359 62.300 -0.057 0.000 1.161 -124 V CB -0.159 31.628 31.823 -0.059 0.000 0.916 -124 V HN 0.714 nan 8.190 nan 0.000 0.490 -123 L N 8.661 129.835 121.223 -0.081 0.000 2.483 -123 L HA 0.218 4.559 4.340 0.002 0.000 0.276 -123 L C -1.938 174.841 176.870 -0.153 0.000 1.213 -123 L CA -1.197 53.570 54.840 -0.122 0.000 0.843 -123 L CB 0.185 42.219 42.059 -0.043 0.000 1.107 -123 L HN 0.562 nan 8.230 nan 0.000 0.487 -122 P HA 0.098 nan 4.420 nan 0.000 0.275 -122 P C -0.534 176.741 177.300 -0.043 0.000 1.228 -122 P CA -0.524 62.392 63.100 -0.306 0.000 0.786 -122 P CB 0.551 31.830 31.700 -0.701 0.000 0.927 -121 T N -0.684 113.888 114.554 0.030 0.000 2.813 -121 T HA 0.405 4.756 4.350 0.002 0.000 0.297 -121 T C -0.597 174.294 174.700 0.320 0.000 1.036 -121 T CA -0.178 62.004 62.100 0.135 0.000 1.044 -121 T CB 0.082 68.972 68.868 0.035 0.000 0.993 -121 T HN 0.225 nan 8.240 nan 0.000 0.535 -120 F N 1.430 121.406 119.950 0.045 0.000 2.536 -120 F HA 0.451 4.978 4.527 -0.001 0.000 0.322 -120 F C 0.354 176.092 175.800 -0.103 0.000 1.144 -120 F CA -1.389 56.565 58.000 -0.077 0.000 0.924 -120 F CB 1.128 39.986 39.000 -0.236 0.000 1.181 -120 F HN 0.886 nan 8.300 nan 0.000 0.438 -119 K N 4.503 124.541 120.400 -0.603 0.000 3.035 -119 K HA -0.210 4.111 4.320 0.002 0.000 0.262 -119 K C 0.967 177.422 176.600 -0.242 0.000 1.024 -119 K CA 0.869 56.862 56.287 -0.490 0.000 0.748 -119 K CB -1.707 30.392 32.500 -0.668 0.000 1.247 -119 K HN 1.437 nan 8.250 nan 0.000 0.482 -118 G N -0.843 107.871 108.800 -0.143 0.000 2.253 -118 G HA2 -0.319 3.642 3.960 0.002 0.000 0.251 -118 G HA3 -0.319 3.642 3.960 0.002 0.000 0.251 -118 G C -0.051 174.816 174.900 -0.055 0.000 0.998 -118 G CA 0.430 45.480 45.100 -0.083 0.000 0.621 -118 G HN 0.287 nan 8.290 nan 0.000 0.524 -117 Q N 1.217 120.983 119.800 -0.056 0.000 2.235 -117 Q HA 0.454 4.795 4.340 0.002 0.000 0.250 -117 Q C -2.476 173.533 176.000 0.015 0.000 0.909 -117 Q CA -1.936 53.851 55.803 -0.028 0.000 0.910 -117 Q CB 1.251 29.966 28.738 -0.039 0.000 1.223 -117 Q HN 0.231 nan 8.270 nan 0.000 0.432 -116 P HA 0.007 nan 4.420 nan 0.000 0.267 -116 P C -0.481 176.839 177.300 0.034 0.000 1.200 -116 P CA 0.254 63.365 63.100 0.018 0.000 0.772 -116 P CB 0.559 32.258 31.700 -0.003 0.000 0.855 -115 S N 2.044 117.784 115.700 0.066 0.000 2.576 -115 S HA 0.144 4.615 4.470 0.002 0.000 0.276 -115 S C 0.255 174.852 174.600 -0.006 0.000 1.339 -115 S CA -0.175 58.059 58.200 0.056 0.000 1.039 -115 S CB 0.016 63.307 63.200 0.152 0.000 0.902 -115 S HN 0.283 nan 8.310 nan 0.000 0.516 -114 K N 3.031 123.389 120.400 -0.070 0.000 2.562 -114 K HA 0.272 4.592 4.320 0.002 0.000 0.206 -114 K C -2.680 173.899 176.600 -0.035 0.000 1.033 -114 K CA -1.724 54.524 56.287 -0.066 0.000 1.029 -114 K CB 1.085 33.521 32.500 -0.107 0.000 1.393 -114 K HN 0.398 nan 8.250 nan 0.000 0.539 -113 P HA -0.012 nan 4.420 nan 0.000 0.269 -113 P C -0.547 176.917 177.300 0.273 0.000 1.209 -113 P CA -0.252 62.915 63.100 0.112 0.000 0.776 -113 P CB 0.512 32.242 31.700 0.050 0.000 0.876 -112 F N 2.163 122.306 119.950 0.323 0.000 2.466 -112 F HA 0.076 4.605 4.527 0.002 0.000 0.363 -112 F C 0.512 176.491 175.800 0.299 0.000 1.109 -112 F CA -0.685 57.519 58.000 0.339 0.000 1.161 -112 F CB 0.052 39.281 39.000 0.382 0.000 1.117 -112 F HN -0.020 nan 8.300 nan 0.000 0.539 -111 V N 4.837 125.068 119.914 0.528 0.000 2.508 -111 V HA 0.424 4.545 4.120 0.002 0.000 0.281 -111 V C 0.753 177.090 176.094 0.405 0.000 1.041 -111 V CA -0.416 62.114 62.300 0.383 0.000 1.016 -111 V CB 0.725 32.719 31.823 0.284 0.000 0.984 -111 V HN 0.833 nan 8.190 nan 0.000 0.478 -110 G N 3.399 112.414 108.800 0.359 0.000 2.389 -110 G HA2 0.578 4.539 3.960 0.002 0.000 0.328 -110 G HA3 0.578 4.539 3.960 0.002 0.000 0.328 -110 G C -1.063 173.992 174.900 0.258 0.000 1.133 -110 G CA -0.471 44.815 45.100 0.310 0.000 0.891 -110 G HN 0.549 nan 8.290 nan 0.000 0.485 -109 V N 2.806 122.914 119.914 0.323 0.000 2.326 -109 V HA 0.209 4.330 4.120 0.002 0.000 0.281 -109 V C -0.048 176.056 176.094 0.017 0.000 1.015 -109 V CA -0.748 61.596 62.300 0.074 0.000 0.823 -109 V CB 1.109 32.837 31.823 -0.159 0.000 1.009 -109 V HN 0.696 nan 8.190 nan 0.000 0.436 -108 L N 5.866 127.075 121.223 -0.023 0.000 2.462 -108 L HA 0.400 4.741 4.340 0.002 0.000 0.272 -108 L C 0.308 177.146 176.870 -0.054 0.000 1.166 -108 L CA 1.288 56.097 54.840 -0.052 0.000 0.880 -108 L CB 0.597 42.659 42.059 0.005 0.000 1.142 -108 L HN 0.709 nan 8.230 nan 0.000 0.473 -107 S N 3.404 119.019 115.700 -0.142 0.000 2.570 -107 S HA 0.885 5.356 4.470 0.002 0.000 0.286 -107 S C -0.797 173.673 174.600 -0.218 0.000 1.099 -107 S CA -0.399 57.672 58.200 -0.215 0.000 0.913 -107 S CB 1.843 64.765 63.200 -0.464 0.000 1.085 -107 S HN 0.901 nan 8.310 nan 0.000 0.480 -106 A N 1.392 124.085 122.820 -0.213 0.000 2.267 -106 A HA 0.758 5.079 4.320 0.002 0.000 0.315 -106 A C 0.216 177.851 177.584 0.084 0.000 1.297 -106 A CA -0.597 51.174 52.037 -0.443 0.000 0.865 -106 A CB 0.263 18.797 19.000 -0.776 0.000 1.165 -106 A HN 0.900 nan 8.150 nan 0.000 0.513 -105 G N 1.497 110.387 108.800 0.149 0.000 2.388 -105 G HA2 0.567 4.527 3.960 0.002 0.000 0.330 -105 G HA3 0.567 4.527 3.960 0.002 0.000 0.330 -105 G C -0.509 174.348 174.900 -0.070 0.000 1.142 -105 G CA -0.585 44.550 45.100 0.058 0.000 0.908 -105 G HN 0.678 nan 8.290 nan 0.000 0.473 -104 I N 2.063 122.633 120.570 0.001 0.000 2.331 -104 I HA 0.091 4.262 4.170 0.002 0.000 0.292 -104 I C 0.290 176.394 176.117 -0.023 0.000 0.998 -104 I CA -0.915 60.382 61.300 -0.006 0.000 1.267 -104 I CB 1.294 39.327 38.000 0.054 0.000 1.386 -104 I HN 0.360 nan 8.210 nan 0.000 0.476 -103 N N 4.800 123.485 118.700 -0.024 0.000 2.411 -103 N HA -0.018 4.723 4.740 0.002 0.000 0.261 -103 N C 0.867 176.367 175.510 -0.017 0.000 1.248 -103 N CA 0.359 53.417 53.050 0.013 0.000 0.885 -103 N CB 1.403 39.881 38.487 -0.016 0.000 1.062 -103 N HN 0.791 nan 8.380 nan 0.000 0.471 -102 A N 3.958 126.766 122.820 -0.021 0.000 2.019 -102 A HA -0.056 4.265 4.320 0.002 0.000 0.219 -102 A C 1.830 179.390 177.584 -0.040 0.000 1.164 -102 A CA 1.775 53.797 52.037 -0.026 0.000 0.644 -102 A CB -0.398 18.586 19.000 -0.026 0.000 0.805 -102 A HN 0.758 nan 8.150 nan 0.000 0.449 -101 A N -0.745 122.036 122.820 -0.066 0.000 2.238 -101 A HA 0.345 4.666 4.320 0.002 0.000 0.210 -101 A C 1.364 178.911 177.584 -0.062 0.000 1.179 -101 A CA 0.697 52.692 52.037 -0.070 0.000 0.827 -101 A CB -0.471 18.469 19.000 -0.100 0.000 0.856 -101 A HN 0.493 nan 8.150 nan 0.000 0.488 -100 S N 1.317 116.982 115.700 -0.058 0.000 2.533 -100 S HA 0.236 4.707 4.470 0.002 0.000 0.282 -100 S C -1.185 173.396 174.600 -0.033 0.000 1.304 -100 S CA -0.765 57.404 58.200 -0.052 0.000 1.063 -100 S CB 0.748 63.917 63.200 -0.052 0.000 0.881 -100 S HN 0.309 nan 8.310 nan 0.000 0.493 -99 P HA 0.130 nan 4.420 nan 0.000 0.249 -99 P C -0.337 176.959 177.300 -0.007 0.000 1.229 -99 P CA 0.199 63.289 63.100 -0.017 0.000 0.788 -99 P CB 0.001 31.690 31.700 -0.018 0.000 1.072 -98 N N 0.486 119.180 118.700 -0.010 0.000 2.467 -98 N HA 0.120 4.861 4.740 0.002 0.000 0.278 -98 N C 0.963 176.479 175.510 0.010 0.000 1.306 -98 N CA -0.246 52.806 53.050 0.003 0.000 0.905 -98 N CB 0.547 39.030 38.487 -0.006 0.000 1.236 -98 N HN 0.197 nan 8.380 nan 0.000 0.509 -97 K N 0.640 121.048 120.400 0.014 0.000 2.103 -97 K HA -0.104 4.216 4.320 0.002 0.000 0.207 -97 K C 1.317 177.943 176.600 0.044 0.000 1.048 -97 K CA 0.948 57.251 56.287 0.026 0.000 0.930 -97 K CB 0.306 32.822 32.500 0.026 0.000 0.716 -97 K HN 0.081 nan 8.250 nan 0.000 0.444 -96 E N 1.134 121.363 120.200 0.048 0.000 2.077 -96 E HA -0.120 4.231 4.350 0.002 0.000 0.193 -96 E C 2.103 178.758 176.600 0.092 0.000 0.989 -96 E CA 0.955 57.393 56.400 0.064 0.000 0.800 -96 E CB -0.209 29.526 29.700 0.059 0.000 0.746 -96 E HN 0.272 nan 8.360 nan 0.000 0.452 -95 L N 0.274 121.557 121.223 0.100 0.000 2.046 -95 L HA -0.183 4.158 4.340 0.002 0.000 0.208 -95 L C 2.548 179.459 176.870 0.068 0.000 1.077 -95 L CA 1.294 56.230 54.840 0.161 0.000 0.747 -95 L CB -0.614 41.540 42.059 0.158 0.000 0.896 -95 L HN 0.053 nan 8.230 nan 0.000 0.432 -94 A N 0.220 123.047 122.820 0.012 0.000 1.883 -94 A HA -0.279 4.042 4.320 0.002 0.000 0.217 -94 A C 2.432 180.024 177.584 0.012 0.000 1.186 -94 A CA 2.178 54.206 52.037 -0.014 0.000 0.624 -94 A CB -0.548 18.450 19.000 -0.003 0.000 0.822 -94 A HN 0.365 nan 8.150 nan 0.000 0.444 -93 K N -0.235 120.183 120.400 0.030 0.000 2.032 -93 K HA -0.214 4.107 4.320 0.002 0.000 0.209 -93 K C 1.952 178.530 176.600 -0.037 0.000 1.048 -93 K CA 1.773 58.058 56.287 -0.004 0.000 0.927 -93 K CB -0.264 32.274 32.500 0.063 0.000 0.712 -93 K HN 0.623 nan 8.250 nan 0.000 0.441 -92 E N -0.252 119.994 120.200 0.077 0.000 2.058 -92 E HA -0.223 4.128 4.350 0.002 0.000 0.194 -92 E C 1.924 178.653 176.600 0.216 0.000 0.997 -92 E CA 1.557 58.070 56.400 0.188 0.000 0.801 -92 E CB -0.267 29.648 29.700 0.359 0.000 0.746 -92 E HN 0.373 nan 8.360 nan 0.000 0.450 -91 F N 1.427 121.290 119.950 -0.146 0.000 2.102 -91 F HA -0.192 4.336 4.527 0.001 0.000 0.298 -91 F C 2.024 177.746 175.800 -0.130 0.000 1.105 -91 F CA 1.275 59.029 58.000 -0.410 0.000 1.239 -91 F CB -0.066 38.391 39.000 -0.906 0.000 0.991 -91 F HN -0.093 nan 8.300 nan 0.000 0.474 -90 L N -0.079 121.019 121.223 -0.207 0.000 2.044 -90 L HA -0.154 4.187 4.340 0.002 0.000 0.205 -90 L C 2.426 179.077 176.870 -0.365 0.000 1.075 -90 L CA 1.620 56.240 54.840 -0.366 0.000 0.747 -90 L CB -0.686 41.050 42.059 -0.538 0.000 0.903 -90 L HN 0.167 nan 8.230 nan 0.000 0.435 -89 E N -0.111 119.862 120.200 -0.380 0.000 2.051 -89 E HA -0.125 4.226 4.350 0.002 0.000 0.189 -89 E C 1.568 178.147 176.600 -0.036 0.000 0.979 -89 E CA 0.954 57.158 56.400 -0.327 0.000 0.803 -89 E CB 0.084 29.406 29.700 -0.631 0.000 0.761 -89 E HN 0.440 nan 8.360 nan 0.000 0.451 -88 N N -0.960 117.725 118.700 -0.025 0.000 2.325 -88 N HA 0.012 4.753 4.740 0.002 0.000 0.182 -88 N C 0.691 176.045 175.510 -0.261 0.000 1.088 -88 N CA 0.655 53.669 53.050 -0.059 0.000 0.879 -88 N CB 0.336 38.823 38.487 0.000 0.000 0.983 -88 N HN 0.197 nan 8.380 nan 0.000 0.471 -87 Y N -0.473 119.729 120.300 -0.163 0.000 2.678 -87 Y HA 0.243 4.794 4.550 0.001 0.000 0.274 -87 Y C 1.790 177.501 175.900 -0.315 0.000 1.114 -87 Y CA -0.251 57.717 58.100 -0.220 0.000 1.274 -87 Y CB -0.309 38.012 38.460 -0.231 0.000 1.438 -87 Y HN -0.134 nan 8.280 nan 0.000 0.493 -86 L N 0.296 121.308 121.223 -0.353 0.000 2.007 -86 L HA 0.049 4.390 4.340 0.002 0.000 0.205 -86 L C 0.935 177.741 176.870 -0.107 0.000 1.073 -86 L CA 1.704 56.387 54.840 -0.261 0.000 0.744 -86 L CB -0.682 41.199 42.059 -0.296 0.000 0.898 -86 L HN 0.118 nan 8.230 nan 0.000 0.435 -85 L N 1.368 122.562 121.223 -0.048 0.000 2.858 -85 L HA 0.100 4.441 4.340 0.002 0.000 0.243 -85 L C -0.026 176.849 176.870 0.009 0.000 1.416 -85 L CA 0.018 54.880 54.840 0.037 0.000 1.182 -85 L CB -1.711 40.469 42.059 0.202 0.000 1.564 -85 L HN 0.446 nan 8.230 nan 0.000 0.436 -84 T N -6.650 107.866 114.554 -0.062 0.000 2.901 -84 T HA 0.301 4.652 4.350 0.002 0.000 0.293 -84 T C 0.578 175.181 174.700 -0.162 0.000 1.084 -84 T CA -0.874 61.173 62.100 -0.088 0.000 1.008 -84 T CB 2.080 70.886 68.868 -0.104 0.000 1.170 -84 T HN -0.025 nan 8.240 nan 0.000 0.509 -83 D N 0.852 121.152 120.400 -0.167 0.000 2.116 -83 D HA -0.098 4.543 4.640 0.002 0.000 0.193 -83 D C 1.794 177.863 176.300 -0.386 0.000 0.998 -83 D CA 1.755 55.565 54.000 -0.316 0.000 0.836 -83 D CB -0.140 40.582 40.800 -0.130 0.000 0.951 -83 D HN 0.799 nan 8.370 nan 0.000 0.449 -82 E N -0.018 120.059 120.200 -0.205 0.000 2.110 -82 E HA -0.031 4.320 4.350 0.002 0.000 0.193 -82 E C 2.228 178.744 176.600 -0.140 0.000 0.988 -82 E CA 1.247 57.559 56.400 -0.147 0.000 0.804 -82 E CB -0.516 29.137 29.700 -0.079 0.000 0.745 -82 E HN 0.336 nan 8.360 nan 0.000 0.458 -81 G N 0.734 109.452 108.800 -0.136 0.000 2.404 -81 G HA2 -0.199 3.762 3.960 0.002 0.000 0.215 -81 G HA3 -0.199 3.762 3.960 0.002 0.000 0.215 -81 G C 1.541 176.371 174.900 -0.116 0.000 1.174 -81 G CA 0.509 45.550 45.100 -0.098 0.000 0.780 -81 G HN 0.108 nan 8.290 nan 0.000 0.537 -80 L N 0.009 121.115 121.223 -0.195 0.000 2.056 -80 L HA -0.026 4.315 4.340 0.002 0.000 0.207 -80 L C 2.773 179.518 176.870 -0.209 0.000 1.078 -80 L CA 1.284 56.015 54.840 -0.183 0.000 0.749 -80 L CB -0.421 41.517 42.059 -0.202 0.000 0.901 -80 L HN 0.308 nan 8.230 nan 0.000 0.433 -79 E N 0.447 120.391 120.200 -0.427 0.000 2.085 -79 E HA -0.260 4.090 4.350 0.002 0.000 0.194 -79 E C 2.205 178.781 176.600 -0.040 0.000 0.994 -79 E CA 1.246 57.520 56.400 -0.211 0.000 0.801 -79 E CB 0.045 29.612 29.700 -0.222 0.000 0.743 -79 E HN 0.469 nan 8.360 nan 0.000 0.453 -78 A N 0.387 123.175 122.820 -0.053 0.000 1.908 -78 A HA -0.160 4.161 4.320 0.002 0.000 0.218 -78 A C 2.355 179.942 177.584 0.004 0.000 1.181 -78 A CA 1.607 53.640 52.037 -0.007 0.000 0.627 -78 A CB -0.511 18.491 19.000 0.003 0.000 0.818 -78 A HN 0.217 nan 8.150 nan 0.000 0.445 -77 V N 0.148 120.062 119.914 0.000 0.000 2.407 -77 V HA -0.164 3.957 4.120 0.002 0.000 0.245 -77 V C 2.295 178.404 176.094 0.026 0.000 1.041 -77 V CA 1.996 64.297 62.300 0.002 0.000 1.040 -77 V CB -1.059 30.762 31.823 -0.003 0.000 0.671 -77 V HN 0.683 nan 8.190 nan 0.000 0.455 -76 N N 0.447 119.189 118.700 0.070 0.000 2.223 -76 N HA -0.157 4.584 4.740 0.002 0.000 0.185 -76 N C 1.761 177.336 175.510 0.109 0.000 1.016 -76 N CA 1.228 54.352 53.050 0.122 0.000 0.863 -76 N CB -0.120 38.509 38.487 0.238 0.000 0.983 -76 N HN 0.363 nan 8.380 nan 0.000 0.429 -75 K N -0.491 119.962 120.400 0.088 0.000 2.365 -75 K HA -0.082 4.239 4.320 0.002 0.000 0.199 -75 K C 0.790 177.417 176.600 0.045 0.000 1.045 -75 K CA 0.726 57.059 56.287 0.076 0.000 0.962 -75 K CB 0.085 32.623 32.500 0.064 0.000 0.759 -75 K HN 0.304 nan 8.250 nan 0.000 0.469 -74 D N 0.660 121.070 120.400 0.016 0.000 2.255 -74 D HA -0.021 4.620 4.640 0.002 0.000 0.224 -74 D C -0.119 176.171 176.300 -0.017 0.000 0.997 -74 D CA 1.188 55.171 54.000 -0.028 0.000 0.906 -74 D CB 0.509 41.258 40.800 -0.084 0.000 1.047 -74 D HN -0.205 nan 8.370 nan 0.000 0.458 -73 K N 0.752 121.146 120.400 -0.010 0.000 2.471 -73 K HA 0.416 4.736 4.320 0.002 0.000 0.252 -73 K C -2.643 173.980 176.600 0.040 0.000 0.938 -73 K CA -2.294 54.008 56.287 0.025 0.000 0.796 -73 K CB 1.711 34.228 32.500 0.029 0.000 1.161 -73 K HN -0.003 nan 8.250 nan 0.000 0.425 -72 P HA 0.060 nan 4.420 nan 0.000 0.262 -72 P C 0.613 177.884 177.300 -0.047 0.000 1.182 -72 P CA 0.093 63.197 63.100 0.008 0.000 0.761 -72 P CB 0.531 32.212 31.700 -0.031 0.000 0.795 -71 L N 2.039 123.277 121.223 0.026 0.000 2.341 -71 L HA 0.152 4.493 4.340 0.002 0.000 0.214 -71 L C 1.527 178.406 176.870 0.016 0.000 1.115 -71 L CA 1.272 56.142 54.840 0.050 0.000 0.820 -71 L CB -0.724 41.393 42.059 0.098 0.000 0.944 -71 L HN 0.755 nan 8.230 nan 0.000 0.452 -70 G N -0.386 108.392 108.800 -0.037 0.000 2.445 -70 G HA2 -0.126 3.835 3.960 0.002 0.000 0.212 -70 G HA3 -0.126 3.835 3.960 0.002 0.000 0.212 -70 G C -0.452 174.492 174.900 0.073 0.000 1.217 -70 G CA -0.395 44.697 45.100 -0.013 0.000 1.002 -70 G HN 0.339 nan 8.290 nan 0.000 0.574 -69 A N 0.497 123.369 122.820 0.086 0.000 2.343 -69 A HA 0.707 5.027 4.320 0.002 0.000 0.305 -69 A C 0.925 178.573 177.584 0.106 0.000 1.308 -69 A CA 0.561 52.653 52.037 0.091 0.000 0.949 -69 A CB -0.250 18.802 19.000 0.087 0.000 1.148 -69 A HN 2.290 nan 8.150 nan 0.000 0.545 -68 V N 0.739 120.727 119.914 0.123 0.000 2.924 -68 V HA 0.493 4.614 4.120 0.002 0.000 0.305 -68 V C 1.259 177.444 176.094 0.152 0.000 1.073 -68 V CA 0.277 62.663 62.300 0.142 0.000 1.098 -68 V CB 0.595 32.551 31.823 0.221 0.000 1.000 -68 V HN 1.086 nan 8.190 nan 0.000 0.484 -67 A N 3.232 126.089 122.820 0.060 0.000 2.066 -67 A HA 0.139 4.460 4.320 0.002 0.000 0.218 -67 A C 1.181 178.734 177.584 -0.052 0.000 1.157 -67 A CA 0.729 52.758 52.037 -0.014 0.000 0.670 -67 A CB -0.513 18.363 19.000 -0.206 0.000 0.804 -67 A HN 1.022 nan 8.150 nan 0.000 0.453 -66 L N 0.721 121.925 121.223 -0.032 0.000 2.385 -66 L HA 0.183 4.523 4.340 0.002 0.000 0.281 -66 L C 1.113 177.914 176.870 -0.115 0.000 1.106 -66 L CA 0.115 54.891 54.840 -0.106 0.000 0.856 -66 L CB 0.294 42.343 42.059 -0.018 0.000 1.186 -66 L HN 0.265 nan 8.230 nan 0.000 0.453 -65 K N 1.573 121.753 120.400 -0.366 0.000 2.052 -65 K HA -0.246 4.075 4.320 0.002 0.000 0.215 -65 K C 1.953 178.492 176.600 -0.102 0.000 1.053 -65 K CA 2.246 58.276 56.287 -0.428 0.000 0.934 -65 K CB -0.197 32.023 32.500 -0.467 0.000 0.717 -65 K HN 0.920 nan 8.250 nan 0.000 0.450 -64 S N -0.149 115.520 115.700 -0.052 0.000 2.402 -64 S HA -0.183 4.288 4.470 0.002 0.000 0.229 -64 S C 2.003 176.672 174.600 0.115 0.000 1.021 -64 S CA 0.962 59.177 58.200 0.025 0.000 0.974 -64 S CB -0.464 62.746 63.200 0.016 0.000 0.800 -64 S HN 0.366 nan 8.310 nan 0.000 0.484 -63 Y N 2.246 122.542 120.300 -0.008 0.000 2.365 -63 Y HA 0.209 4.760 4.550 0.002 0.000 0.293 -63 Y C 2.367 178.302 175.900 0.058 0.000 1.119 -63 Y CA 1.124 59.237 58.100 0.023 0.000 1.203 -63 Y CB -0.415 38.055 38.460 0.017 0.000 1.026 -63 Y HN 0.303 nan 8.280 nan 0.000 0.549 -62 E N 0.897 121.126 120.200 0.047 0.000 2.204 -62 E HA -0.186 4.165 4.350 0.002 0.000 0.194 -62 E C 1.666 178.276 176.600 0.018 0.000 0.989 -62 E CA 1.528 57.951 56.400 0.038 0.000 0.824 -62 E CB -0.204 29.659 29.700 0.273 0.000 0.756 -62 E HN 0.564 nan 8.360 nan 0.000 0.477 -61 E N -0.151 120.075 120.200 0.043 0.000 2.333 -61 E HA -0.147 4.204 4.350 0.002 0.000 0.198 -61 E C 1.475 178.066 176.600 -0.015 0.000 1.007 -61 E CA 1.085 57.506 56.400 0.035 0.000 0.845 -61 E CB 0.091 29.820 29.700 0.048 0.000 0.766 -61 E HN 0.453 nan 8.360 nan 0.000 0.507 -60 E N -0.211 119.941 120.200 -0.080 0.000 2.201 -60 E HA 0.006 4.357 4.350 0.002 0.000 0.193 -60 E C 1.937 178.452 176.600 -0.141 0.000 0.957 -60 E CA 0.260 56.599 56.400 -0.101 0.000 0.858 -60 E CB 0.164 29.801 29.700 -0.105 0.000 0.816 -60 E HN 0.240 nan 8.360 nan 0.000 0.475 -59 L N 1.015 122.099 121.223 -0.231 0.000 2.240 -59 L HA 0.043 4.384 4.340 0.002 0.000 0.211 -59 L C 2.582 179.417 176.870 -0.057 0.000 1.106 -59 L CA 0.540 55.283 54.840 -0.163 0.000 0.793 -59 L CB -0.461 41.470 42.059 -0.213 0.000 0.927 -59 L HN 0.097 nan 8.230 nan 0.000 0.446 -58 A N 0.381 123.177 122.820 -0.040 0.000 2.024 -58 A HA -0.202 4.118 4.320 0.002 0.000 0.220 -58 A C 2.289 179.865 177.584 -0.013 0.000 1.164 -58 A CA 1.393 53.426 52.037 -0.008 0.000 0.643 -58 A CB -0.270 18.736 19.000 0.009 0.000 0.806 -58 A HN 0.222 nan 8.150 nan 0.000 0.451 -57 K N 0.771 121.158 120.400 -0.022 0.000 2.044 -57 K HA -0.156 4.165 4.320 0.002 0.000 0.210 -57 K C 0.534 177.114 176.600 -0.034 0.000 1.049 -57 K CA 0.911 57.183 56.287 -0.025 0.000 0.927 -57 K CB -0.909 31.575 32.500 -0.027 0.000 0.713 -57 K HN 0.547 nan 8.250 nan 0.000 0.443 -56 D N 2.151 122.530 120.400 -0.035 0.000 2.451 -56 D HA -0.040 4.601 4.640 0.002 0.000 0.254 -56 D C -1.460 174.798 176.300 -0.070 0.000 1.204 -56 D CA -1.488 52.479 54.000 -0.055 0.000 0.896 -56 D CB 1.046 41.826 40.800 -0.034 0.000 1.136 -56 D HN -0.027 nan 8.370 nan 0.000 0.499 -55 P HA -0.156 nan 4.420 nan 0.000 0.221 -55 P C 1.050 178.274 177.300 -0.126 0.000 1.145 -55 P CA 0.953 63.994 63.100 -0.099 0.000 0.795 -55 P CB 0.320 31.951 31.700 -0.114 0.000 0.775 -54 R N -0.734 119.629 120.500 -0.229 0.000 2.092 -54 R HA -0.005 4.336 4.340 0.002 0.000 0.231 -54 R C 2.395 178.674 176.300 -0.036 0.000 1.119 -54 R CA 0.901 56.782 56.100 -0.365 0.000 0.970 -54 R CB -0.539 29.130 30.300 -1.052 0.000 0.864 -54 R HN 0.184 nan 8.270 nan 0.000 0.440 -53 I N 0.760 121.368 120.570 0.064 0.000 2.353 -53 I HA -0.135 4.035 4.170 0.002 0.000 0.248 -53 I C 2.482 178.652 176.117 0.088 0.000 1.119 -53 I CA 1.060 62.467 61.300 0.178 0.000 1.417 -53 I CB -1.272 36.808 38.000 0.134 0.000 1.078 -53 I HN 0.127 nan 8.210 nan 0.000 0.421 -52 A N 1.169 124.004 122.820 0.026 0.000 1.883 -52 A HA -0.169 4.152 4.320 0.002 0.000 0.217 -52 A C 2.595 180.187 177.584 0.013 0.000 1.186 -52 A CA 2.177 54.217 52.037 0.006 0.000 0.624 -52 A CB -0.780 18.209 19.000 -0.018 0.000 0.822 -52 A HN 0.408 nan 8.150 nan 0.000 0.444 -51 A N -0.979 121.850 122.820 0.015 0.000 1.877 -51 A HA -0.084 4.237 4.320 0.002 0.000 0.216 -51 A C 2.298 179.919 177.584 0.062 0.000 1.186 -51 A CA 2.330 54.383 52.037 0.026 0.000 0.620 -51 A CB -1.437 17.573 19.000 0.017 0.000 0.822 -51 A HN 0.450 nan 8.150 nan 0.000 0.443 -50 T N 0.117 114.744 114.554 0.123 0.000 2.653 -50 T HA -0.218 4.132 4.350 0.002 0.000 0.268 -50 T C 1.894 176.638 174.700 0.075 0.000 1.035 -50 T CA 1.889 64.068 62.100 0.132 0.000 1.154 -50 T CB -0.274 68.713 68.868 0.198 0.000 0.862 -50 T HN 0.282 nan 8.240 nan 0.000 0.441 -49 M N 0.656 120.287 119.600 0.052 0.000 2.288 -49 M HA 0.079 4.560 4.480 0.002 0.000 0.266 -49 M C 2.315 178.610 176.300 -0.008 0.000 1.072 -49 M CA 1.035 56.343 55.300 0.013 0.000 1.132 -49 M CB -0.978 31.616 32.600 -0.009 0.000 1.386 -49 M HN 0.404 nan 8.290 nan 0.000 0.432 -48 E N 0.569 120.767 120.200 -0.003 0.000 2.051 -48 E HA -0.213 4.138 4.350 0.002 0.000 0.192 -48 E C 1.726 178.323 176.600 -0.005 0.000 0.991 -48 E CA 1.281 57.673 56.400 -0.012 0.000 0.799 -48 E CB 0.100 29.792 29.700 -0.014 0.000 0.748 -48 E HN 0.417 nan 8.360 nan 0.000 0.449 -47 N N 0.494 119.200 118.700 0.010 0.000 2.104 -47 N HA -0.174 4.567 4.740 0.002 0.000 0.190 -47 N C 1.771 177.298 175.510 0.028 0.000 1.024 -47 N CA 1.317 54.377 53.050 0.016 0.000 0.853 -47 N CB -0.404 38.097 38.487 0.023 0.000 1.008 -47 N HN 0.276 nan 8.380 nan 0.000 0.424 -46 A N 1.040 123.881 122.820 0.035 0.000 1.940 -46 A HA -0.224 4.096 4.320 0.002 0.000 0.219 -46 A C 2.205 179.797 177.584 0.014 0.000 1.176 -46 A CA 1.681 53.745 52.037 0.045 0.000 0.631 -46 A CB -0.669 18.354 19.000 0.039 0.000 0.814 -46 A HN 0.406 nan 8.150 nan 0.000 0.446 -45 Q N -0.354 119.435 119.800 -0.018 0.000 2.123 -45 Q HA -0.100 4.241 4.340 0.002 0.000 0.199 -45 Q C 1.792 177.782 176.000 -0.017 0.000 0.966 -45 Q CA 1.566 57.345 55.803 -0.039 0.000 0.845 -45 Q CB -0.068 28.636 28.738 -0.055 0.000 0.907 -45 Q HN 0.667 nan 8.270 nan 0.000 0.439 -44 K N -0.328 120.068 120.400 -0.006 0.000 2.366 -44 K HA 0.039 4.360 4.320 0.002 0.000 0.198 -44 K C 1.059 177.665 176.600 0.011 0.000 1.044 -44 K CA 0.569 56.854 56.287 -0.003 0.000 0.973 -44 K CB 0.204 32.701 32.500 -0.006 0.000 0.767 -44 K HN 0.234 nan 8.250 nan 0.000 0.475 -43 G N 1.054 109.875 108.800 0.035 0.000 2.714 -43 G HA2 0.177 4.138 3.960 0.002 0.000 0.197 -43 G HA3 0.177 4.138 3.960 0.002 0.000 0.197 -43 G C -1.015 173.946 174.900 0.102 0.000 1.449 -43 G CA -0.260 44.882 45.100 0.071 0.000 1.065 -43 G HN 0.136 nan 8.290 nan 0.000 0.575 -42 E N -1.687 118.633 120.200 0.199 0.000 2.347 -42 E HA 0.327 4.678 4.350 0.002 0.000 0.285 -42 E C -1.426 175.410 176.600 0.393 0.000 0.925 -42 E CA -0.784 55.767 56.400 0.253 0.000 0.779 -42 E CB 2.205 32.066 29.700 0.269 0.000 1.233 -42 E HN 0.266 nan 8.360 nan 0.000 0.414 -41 I N 4.195 124.936 120.570 0.284 0.000 2.683 -41 I HA 0.026 4.197 4.170 0.002 0.000 0.286 -41 I C 0.380 176.700 176.117 0.339 0.000 1.175 -41 I CA 0.674 62.157 61.300 0.304 0.000 1.429 -41 I CB 0.395 38.514 38.000 0.199 0.000 1.371 -41 I HN 0.654 nan 8.210 nan 0.000 0.569 -40 M N 9.158 128.903 119.600 0.243 0.000 2.248 -40 M HA 0.137 4.618 4.480 0.002 0.000 0.345 -40 M C -2.003 174.260 176.300 -0.061 0.000 1.243 -40 M CA -1.258 53.906 55.300 -0.227 0.000 1.090 -40 M CB -0.137 32.214 32.600 -0.416 0.000 1.683 -40 M HN 0.351 nan 8.290 nan 0.000 0.450 -39 P HA -0.000 nan 4.420 nan 0.000 0.269 -39 P C -0.361 176.795 177.300 -0.239 0.000 1.217 -39 P CA 0.080 62.908 63.100 -0.454 0.000 0.783 -39 P CB 0.317 31.461 31.700 -0.926 0.000 0.898 -38 N N 1.050 119.702 118.700 -0.079 0.000 2.187 -38 N HA 0.043 4.784 4.740 0.002 0.000 0.212 -38 N C 0.395 175.889 175.510 -0.026 0.000 1.152 -38 N CA -0.294 52.751 53.050 -0.008 0.000 0.872 -38 N CB -0.818 37.780 38.487 0.185 0.000 1.025 -38 N HN 0.417 nan 8.380 nan 0.000 0.514 -37 I N -2.335 118.186 120.570 -0.082 0.000 2.892 -37 I HA 0.253 4.424 4.170 0.002 0.000 0.287 -37 I C -1.591 174.457 176.117 -0.114 0.000 1.205 -37 I CA -1.514 59.762 61.300 -0.040 0.000 1.409 -37 I CB 0.447 38.338 38.000 -0.182 0.000 1.367 -37 I HN -0.278 nan 8.210 nan 0.000 0.597 -36 P HA -0.083 nan 4.420 nan 0.000 0.226 -36 P C 0.888 178.148 177.300 -0.067 0.000 1.153 -36 P CA 1.089 64.134 63.100 -0.091 0.000 0.777 -36 P CB 0.067 31.740 31.700 -0.044 0.000 0.794 -35 Q N -1.828 117.906 119.800 -0.111 0.000 2.472 -35 Q HA 0.065 4.406 4.340 0.002 0.000 0.208 -35 Q C 1.808 177.852 176.000 0.073 0.000 0.958 -35 Q CA 0.793 56.563 55.803 -0.054 0.000 0.932 -35 Q CB -0.651 27.962 28.738 -0.209 0.000 1.007 -35 Q HN 0.155 nan 8.270 nan 0.000 0.508 -34 M N -0.577 119.023 119.600 0.001 0.000 2.202 -34 M HA -0.141 4.339 4.480 0.002 0.000 0.262 -34 M C 2.053 178.479 176.300 0.210 0.000 1.063 -34 M CA 1.238 56.582 55.300 0.074 0.000 1.097 -34 M CB -1.043 31.535 32.600 -0.036 0.000 1.382 -34 M HN 0.191 nan 8.290 nan 0.000 0.413 -33 S N 0.211 116.010 115.700 0.165 0.000 2.356 -33 S HA -0.054 4.417 4.470 0.002 0.000 0.223 -33 S C 1.978 176.711 174.600 0.221 0.000 1.032 -33 S CA 1.444 59.759 58.200 0.192 0.000 1.005 -33 S CB -0.064 63.181 63.200 0.076 0.000 0.867 -33 S HN 0.526 nan 8.310 nan 0.000 0.449 -32 A N 0.471 123.402 122.820 0.185 0.000 1.930 -32 A HA 0.026 4.347 4.320 0.002 0.000 0.217 -32 A C 1.926 179.658 177.584 0.246 0.000 1.175 -32 A CA 1.454 53.611 52.037 0.200 0.000 0.627 -32 A CB -0.942 18.157 19.000 0.165 0.000 0.815 -32 A HN 0.670 nan 8.150 nan 0.000 0.443 -31 F N -0.659 119.353 119.950 0.103 0.000 2.069 -31 F HA -0.205 4.322 4.527 0.001 0.000 0.298 -31 F C 2.013 177.794 175.800 -0.033 0.000 1.113 -31 F CA 1.761 59.735 58.000 -0.044 0.000 1.214 -31 F CB -0.639 38.245 39.000 -0.194 0.000 0.978 -31 F HN 0.395 nan 8.300 nan 0.000 0.474 -30 W N -1.126 120.049 121.300 -0.208 0.000 2.355 -30 W HA -0.224 4.436 4.660 0.001 0.000 0.309 -30 W C 2.529 178.957 176.519 -0.152 0.000 1.206 -30 W CA 1.296 58.466 57.345 -0.292 0.000 1.284 -30 W CB -1.017 28.424 29.460 -0.032 0.000 1.145 -30 W HN 0.180 nan 8.180 nan 0.000 0.502 -29 Y N 1.123 121.500 120.300 0.128 0.000 2.165 -29 Y HA -0.318 4.234 4.550 0.002 0.000 0.286 -29 Y C 2.322 178.230 175.900 0.014 0.000 1.155 -29 Y CA 2.293 60.431 58.100 0.064 0.000 1.164 -29 Y CB -0.766 37.730 38.460 0.060 0.000 0.978 -29 Y HN -0.072 nan 8.280 nan 0.000 0.513 -28 A N -0.938 121.917 122.820 0.057 0.000 1.898 -28 A HA -0.138 4.183 4.320 0.002 0.000 0.216 -28 A C 2.293 179.802 177.584 -0.126 0.000 1.181 -28 A CA 1.965 53.983 52.037 -0.032 0.000 0.620 -28 A CB -1.204 17.811 19.000 0.026 0.000 0.819 -28 A HN 0.327 nan 8.150 nan 0.000 0.442 -27 V N -0.088 119.705 119.914 -0.202 0.000 2.591 -27 V HA -0.171 3.950 4.120 0.002 0.000 0.249 -27 V C 2.568 178.646 176.094 -0.026 0.000 1.053 -27 V CA 1.905 64.122 62.300 -0.139 0.000 1.068 -27 V CB -0.793 30.846 31.823 -0.307 0.000 0.689 -27 V HN 0.685 nan 8.190 nan 0.000 0.462 -26 R N 0.316 120.795 120.500 -0.035 0.000 2.083 -26 R HA -0.193 4.148 4.340 0.002 0.000 0.237 -26 R C 2.257 178.492 176.300 -0.109 0.000 1.137 -26 R CA 2.328 58.404 56.100 -0.040 0.000 0.951 -26 R CB -0.525 29.731 30.300 -0.073 0.000 0.851 -26 R HN 0.492 nan 8.270 nan 0.000 0.434 -25 T N 0.411 114.838 114.554 -0.212 0.000 2.821 -25 T HA -0.024 4.327 4.350 0.002 0.000 0.267 -25 T C 1.762 176.400 174.700 -0.103 0.000 1.046 -25 T CA 1.128 63.108 62.100 -0.200 0.000 1.139 -25 T CB -0.175 68.526 68.868 -0.279 0.000 0.871 -25 T HN 0.476 nan 8.240 nan 0.000 0.454 -24 A N 1.030 123.806 122.820 -0.072 0.000 1.873 -24 A HA -0.008 4.313 4.320 0.002 0.000 0.215 -24 A C 2.568 180.143 177.584 -0.016 0.000 1.186 -24 A CA 1.189 53.205 52.037 -0.034 0.000 0.616 -24 A CB -0.983 18.009 19.000 -0.014 0.000 0.823 -24 A HN 0.331 nan 8.150 nan 0.000 0.442 -23 V N 0.237 120.155 119.914 0.005 0.000 2.295 -23 V HA -0.273 3.847 4.120 0.002 0.000 0.246 -23 V C 2.442 178.535 176.094 -0.002 0.000 1.049 -23 V CA 2.078 64.393 62.300 0.024 0.000 1.024 -23 V CB -0.721 31.149 31.823 0.078 0.000 0.648 -23 V HN 0.559 nan 8.190 nan 0.000 0.447 -22 I N 0.514 121.073 120.570 -0.019 0.000 2.127 -22 I HA -0.260 3.911 4.170 0.002 0.000 0.241 -22 I C 2.400 178.492 176.117 -0.042 0.000 1.075 -22 I CA 1.735 63.014 61.300 -0.036 0.000 1.334 -22 I CB -0.548 37.420 38.000 -0.052 0.000 1.040 -22 I HN 0.355 nan 8.210 nan 0.000 0.405 -21 N N 1.018 119.689 118.700 -0.048 0.000 2.149 -21 N HA -0.154 4.587 4.740 0.002 0.000 0.188 -21 N C 1.798 177.286 175.510 -0.037 0.000 1.019 -21 N CA 1.684 54.707 53.050 -0.046 0.000 0.857 -21 N CB -0.474 37.983 38.487 -0.050 0.000 0.997 -21 N HN 0.402 nan 8.380 nan 0.000 0.426 -20 A N 0.655 123.457 122.820 -0.031 0.000 1.897 -20 A HA 0.175 4.496 4.320 0.002 0.000 0.215 -20 A C 2.320 179.885 177.584 -0.031 0.000 1.181 -20 A CA 1.590 53.611 52.037 -0.027 0.000 0.620 -20 A CB -0.766 18.222 19.000 -0.020 0.000 0.821 -20 A HN 0.291 nan 8.150 nan 0.000 0.443 -19 A N 0.324 123.125 122.820 -0.032 0.000 1.933 -19 A HA -0.086 4.235 4.320 0.002 0.000 0.218 -19 A C 2.430 179.988 177.584 -0.043 0.000 1.175 -19 A CA 2.277 54.290 52.037 -0.039 0.000 0.628 -19 A CB -0.774 18.203 19.000 -0.039 0.000 0.814 -19 A HN 1.004 nan 8.150 nan 0.000 0.444 -18 S N -2.233 113.442 115.700 -0.042 0.000 2.528 -18 S HA 0.371 4.842 4.470 0.002 0.000 0.219 -18 S C 1.416 175.993 174.600 -0.039 0.000 0.985 -18 S CA 1.123 59.297 58.200 -0.042 0.000 0.914 -18 S CB -0.162 63.011 63.200 -0.044 0.000 0.776 -18 S HN 1.953 nan 8.310 nan 0.000 0.526 -17 G N 1.570 110.348 108.800 -0.037 0.000 2.143 -17 G HA2 -0.276 3.685 3.960 0.002 0.000 0.249 -17 G HA3 -0.276 3.685 3.960 0.002 0.000 0.249 -17 G C 0.859 175.740 174.900 -0.032 0.000 0.981 -17 G CA 0.323 45.403 45.100 -0.034 0.000 0.665 -17 G HN 0.491 nan 8.290 nan 0.000 0.528 -16 R N -0.450 120.029 120.500 -0.035 0.000 2.115 -16 R HA 0.042 4.383 4.340 0.002 0.000 0.230 -16 R C 1.167 177.447 176.300 -0.034 0.000 1.111 -16 R CA 1.434 57.513 56.100 -0.036 0.000 0.976 -16 R CB 0.030 30.305 30.300 -0.042 0.000 0.870 -16 R HN 0.608 nan 8.270 nan 0.000 0.445 -15 Q N -0.740 119.040 119.800 -0.032 0.000 2.423 -15 Q HA 0.189 4.530 4.340 0.002 0.000 0.278 -15 Q C -0.734 175.252 176.000 -0.024 0.000 1.097 -15 Q CA -0.645 55.141 55.803 -0.028 0.000 0.809 -15 Q CB 2.382 31.102 28.738 -0.029 0.000 1.391 -15 Q HN 0.082 nan 8.270 nan 0.000 0.428 -14 T N -2.332 112.210 114.554 -0.019 0.000 2.795 -14 T HA 0.066 4.417 4.350 0.002 0.000 0.314 -14 T C 1.346 176.038 174.700 -0.014 0.000 1.069 -14 T CA -0.571 61.520 62.100 -0.015 0.000 1.071 -14 T CB 0.452 69.314 68.868 -0.011 0.000 0.988 -14 T HN 0.338 nan 8.240 nan 0.000 0.543 -13 V N 1.502 121.409 119.914 -0.011 0.000 2.282 -13 V HA -0.191 3.930 4.120 0.002 0.000 0.249 -13 V C 2.583 178.674 176.094 -0.005 0.000 1.057 -13 V CA 2.344 64.639 62.300 -0.009 0.000 1.032 -13 V CB -0.935 30.884 31.823 -0.005 0.000 0.645 -13 V HN 0.891 nan 8.190 nan 0.000 0.447 -12 D N -0.273 120.126 120.400 -0.002 0.000 2.104 -12 D HA -0.177 4.464 4.640 0.002 0.000 0.194 -12 D C 2.262 178.561 176.300 -0.002 0.000 0.994 -12 D CA 1.535 55.535 54.000 -0.000 0.000 0.830 -12 D CB -0.205 40.596 40.800 0.002 0.000 0.959 -12 D HN 0.582 nan 8.370 nan 0.000 0.452 -11 E N 0.336 120.533 120.200 -0.005 0.000 2.047 -11 E HA -0.094 4.257 4.350 0.002 0.000 0.191 -11 E C 2.122 178.717 176.600 -0.008 0.000 0.987 -11 E CA 0.991 57.388 56.400 -0.006 0.000 0.799 -11 E CB -0.079 29.614 29.700 -0.011 0.000 0.752 -11 E HN 0.205 nan 8.360 nan 0.000 0.449 -10 A N 1.169 123.982 122.820 -0.012 0.000 1.883 -10 A HA -0.176 4.145 4.320 0.002 0.000 0.217 -10 A C 2.185 179.766 177.584 -0.006 0.000 1.186 -10 A CA 1.223 53.251 52.037 -0.014 0.000 0.624 -10 A CB -0.669 18.321 19.000 -0.017 0.000 0.822 -10 A HN 0.145 nan 8.150 nan 0.000 0.444 -9 L N -1.175 120.047 121.223 -0.001 0.000 2.217 -9 L HA -0.104 4.237 4.340 0.002 0.000 0.211 -9 L C 2.600 179.474 176.870 0.006 0.000 1.107 -9 L CA 0.906 55.748 54.840 0.004 0.000 0.783 -9 L CB -0.400 41.661 42.059 0.003 0.000 0.919 -9 L HN 0.252 nan 8.230 nan 0.000 0.442 -8 K N 0.607 121.011 120.400 0.006 0.000 2.009 -8 K HA -0.199 4.122 4.320 0.002 0.000 0.210 -8 K C 1.631 178.241 176.600 0.018 0.000 1.049 -8 K CA 1.701 57.994 56.287 0.011 0.000 0.929 -8 K CB -0.328 32.177 32.500 0.009 0.000 0.714 -8 K HN 0.224 nan 8.250 nan 0.000 0.440 -7 D N 0.122 120.531 120.400 0.015 0.000 2.182 -7 D HA -0.122 4.519 4.640 0.002 0.000 0.201 -7 D C 1.657 177.976 176.300 0.032 0.000 0.986 -7 D CA 1.248 55.262 54.000 0.023 0.000 0.847 -7 D CB -0.067 40.739 40.800 0.011 0.000 0.942 -7 D HN 0.266 nan 8.370 nan 0.000 0.467 -6 A N 0.533 123.364 122.820 0.020 0.000 1.898 -6 A HA -0.212 4.109 4.320 0.002 0.000 0.216 -6 A C 2.157 179.764 177.584 0.038 0.000 1.181 -6 A CA 1.673 53.723 52.037 0.022 0.000 0.620 -6 A CB -0.599 18.404 19.000 0.006 0.000 0.819 -6 A HN 0.135 nan 8.150 nan 0.000 0.442 -5 Q N -0.320 119.497 119.800 0.029 0.000 2.096 -5 Q HA -0.136 4.205 4.340 0.002 0.000 0.204 -5 Q C 1.918 177.947 176.000 0.049 0.000 0.982 -5 Q CA 2.609 58.430 55.803 0.029 0.000 0.850 -5 Q CB -0.885 27.863 28.738 0.017 0.000 0.901 -5 Q HN 0.511 nan 8.270 nan 0.000 0.422 -4 T N 0.235 114.820 114.554 0.051 0.000 3.023 -4 T HA -0.041 4.310 4.350 0.002 0.000 0.266 -4 T C 0.507 175.256 174.700 0.080 0.000 1.093 -4 T CA 0.820 62.957 62.100 0.062 0.000 1.129 -4 T CB -0.243 68.657 68.868 0.054 0.000 0.899 -4 T HN 0.580 nan 8.240 nan 0.000 0.491 -3 N N -0.612 118.142 118.700 0.090 0.000 2.776 -3 N HA -0.220 4.521 4.740 0.002 0.000 0.250 -3 N C 0.839 176.426 175.510 0.129 0.000 1.112 -3 N CA 0.722 53.843 53.050 0.117 0.000 0.733 -3 N CB -1.341 37.221 38.487 0.125 0.000 1.097 -3 N HN 0.409 nan 8.380 nan 0.000 0.558 -2 A N -0.358 122.530 122.820 0.112 0.000 1.933 -2 A HA 0.153 4.474 4.320 0.002 0.000 0.218 -2 A C 2.453 180.142 177.584 0.174 0.000 1.175 -2 A CA 2.371 54.483 52.037 0.124 0.000 0.628 -2 A CB -0.962 18.088 19.000 0.083 0.000 0.814 -2 A HN 0.781 nan 8.150 nan 0.000 0.444 -1 A N 0.046 122.974 122.820 0.180 0.000 1.851 -1 A HA 0.107 4.428 4.320 0.002 0.000 0.216 -1 A C 2.532 180.382 177.584 0.444 0.000 1.195 -1 A CA 2.360 54.567 52.037 0.283 0.000 0.622 -1 A CB -1.228 17.887 19.000 0.192 0.000 0.831 -1 A HN 1.180 nan 8.150 nan 0.000 0.444 0 A N -0.603 122.455 122.820 0.396 0.000 2.070 0 A HA -0.140 4.181 4.320 0.002 0.000 0.220 0 A C 1.893 179.530 177.584 0.089 0.000 1.159 0 A CA 1.610 53.723 52.037 0.126 0.000 0.656 0 A CB -0.465 18.576 19.000 0.068 0.000 0.800 0 A HN 0.686 nan 8.150 nan 0.000 0.453 1 E N -1.601 118.686 120.200 0.146 0.000 2.076 1 E HA -0.083 4.268 4.350 0.002 0.000 0.190 1 E C 1.728 178.404 176.600 0.128 0.000 0.979 1 E CA 0.876 57.344 56.400 0.113 0.000 0.807 1 E CB -0.227 29.540 29.700 0.112 0.000 0.761 1 E HN 0.695 nan 8.360 nan 0.000 0.454 2 F N 1.900 121.884 119.950 0.056 0.000 2.134 2 F HA -0.153 4.376 4.527 0.003 0.000 0.299 2 F C 2.278 178.104 175.800 0.044 0.000 1.097 2 F CA 1.403 59.428 58.000 0.041 0.000 1.264 2 F CB -0.198 38.829 39.000 0.044 0.000 1.001 2 F HN -0.067 nan 8.300 nan 0.000 0.479 3 A N 0.127 123.110 122.820 0.272 0.000 1.978 3 A HA -0.091 4.230 4.320 0.002 0.000 0.220 3 A C 2.316 179.920 177.584 0.034 0.000 1.170 3 A CA 1.751 53.883 52.037 0.159 0.000 0.636 3 A CB -1.434 17.612 19.000 0.076 0.000 0.810 3 A HN 0.482 nan 8.150 nan 0.000 0.448 4 A N -0.972 121.850 122.820 0.004 0.000 2.016 4 A HA 0.191 4.512 4.320 0.002 0.000 0.217 4 A C 2.015 179.593 177.584 -0.009 0.000 1.162 4 A CA 1.333 53.378 52.037 0.013 0.000 0.662 4 A CB -0.419 18.582 19.000 0.002 0.000 0.812 4 A HN 0.555 nan 8.150 nan 0.000 0.450 5 L N -0.311 120.849 121.223 -0.106 0.000 1.976 5 L HA -0.096 4.245 4.340 0.002 0.000 0.209 5 L C 2.245 178.985 176.870 -0.217 0.000 1.071 5 L CA 2.249 56.977 54.840 -0.187 0.000 0.746 5 L CB -0.942 40.934 42.059 -0.306 0.000 0.890 5 L HN 0.349 nan 8.230 nan 0.000 0.432 6 L N -0.683 120.344 121.223 -0.328 0.000 2.012 6 L HA -0.272 4.069 4.340 0.002 0.000 0.210 6 L C 2.597 179.423 176.870 -0.073 0.000 1.073 6 L CA 2.411 57.107 54.840 -0.239 0.000 0.748 6 L CB -1.065 40.840 42.059 -0.256 0.000 0.891 6 L HN 0.616 nan 8.230 nan 0.000 0.431 7 H N -0.601 118.416 119.070 -0.089 0.000 2.352 7 H HA -0.136 4.421 4.556 0.001 0.000 0.299 7 H C 2.335 177.634 175.328 -0.048 0.000 1.097 7 H CA 1.963 57.988 56.048 -0.038 0.000 1.311 7 H CB -0.202 29.547 29.762 -0.022 0.000 1.377 7 H HN 0.614 nan 8.280 nan 0.000 0.504 8 S N -0.281 115.360 115.700 -0.099 0.000 2.453 8 S HA -0.061 4.410 4.470 0.002 0.000 0.231 8 S C 2.207 176.720 174.600 -0.145 0.000 1.005 8 S CA 0.890 59.008 58.200 -0.137 0.000 0.949 8 S CB -0.384 62.788 63.200 -0.047 0.000 0.774 8 S HN 0.417 nan 8.310 nan 0.000 0.510 9 L N 0.710 121.852 121.223 -0.135 0.000 2.027 9 L HA 0.026 4.367 4.340 0.002 0.000 0.206 9 L C 2.556 179.349 176.870 -0.128 0.000 1.074 9 L CA 1.121 55.890 54.840 -0.119 0.000 0.745 9 L CB -0.652 41.339 42.059 -0.115 0.000 0.898 9 L HN 0.313 nan 8.230 nan 0.000 0.433 10 L N -0.443 120.688 121.223 -0.153 0.000 2.131 10 L HA -0.207 4.134 4.340 0.002 0.000 0.210 10 L C 2.491 179.249 176.870 -0.185 0.000 1.092 10 L CA 1.026 55.775 54.840 -0.152 0.000 0.759 10 L CB -0.394 41.584 42.059 -0.135 0.000 0.903 10 L HN 0.273 nan 8.230 nan 0.000 0.435 11 E N 0.387 120.428 120.200 -0.265 0.000 2.047 11 E HA -0.165 4.186 4.350 0.002 0.000 0.191 11 E C 2.241 178.763 176.600 -0.131 0.000 0.987 11 E CA 1.327 57.589 56.400 -0.230 0.000 0.799 11 E CB -0.078 29.450 29.700 -0.288 0.000 0.752 11 E HN 0.370 nan 8.360 nan 0.000 0.449 12 A N 0.597 123.347 122.820 -0.117 0.000 1.908 12 A HA -0.267 4.054 4.320 0.002 0.000 0.218 12 A C 2.086 179.628 177.584 -0.070 0.000 1.181 12 A CA 2.024 54.013 52.037 -0.080 0.000 0.627 12 A CB -0.968 17.988 19.000 -0.073 0.000 0.818 12 A HN 0.360 nan 8.150 nan 0.000 0.445 13 N N -1.123 117.530 118.700 -0.079 0.000 2.166 13 N HA -0.158 4.583 4.740 0.002 0.000 0.186 13 N C 1.624 177.098 175.510 -0.061 0.000 1.019 13 N CA 1.671 54.680 53.050 -0.068 0.000 0.856 13 N CB -0.458 37.984 38.487 -0.074 0.000 0.993 13 N HN 0.455 nan 8.380 nan 0.000 0.426 14 c N -0.729 117.829 118.600 -0.069 0.000 2.467 14 c HA 0.168 4.739 4.570 0.002 0.000 0.279 14 c C 2.695 176.766 174.090 -0.031 0.000 1.347 14 c CA 0.569 56.866 56.329 -0.053 0.000 1.748 14 c CB -1.387 41.086 42.510 -0.063 0.000 1.977 14 c HN 0.446 nan 8.230 nan 0.000 0.501 15 S N 0.746 116.424 115.700 -0.037 0.000 2.368 15 S HA -0.077 4.394 4.470 0.002 0.000 0.224 15 S C 1.680 176.269 174.600 -0.019 0.000 1.029 15 S CA 1.255 59.441 58.200 -0.023 0.000 0.988 15 S CB -0.295 62.887 63.200 -0.029 0.000 0.838 15 S HN 0.615 nan 8.310 nan 0.000 0.462 16 L N 1.140 122.346 121.223 -0.028 0.000 1.994 16 L HA -0.162 4.179 4.340 0.002 0.000 0.208 16 L C 2.843 179.702 176.870 -0.018 0.000 1.071 16 L CA 1.298 56.123 54.840 -0.025 0.000 0.745 16 L CB -0.785 41.255 42.059 -0.032 0.000 0.892 16 L HN 0.331 nan 8.230 nan 0.000 0.431 17 A N -0.086 122.722 122.820 -0.019 0.000 1.917 17 A HA -0.278 4.043 4.320 0.002 0.000 0.219 17 A C 2.198 179.784 177.584 0.003 0.000 1.182 17 A CA 2.054 54.085 52.037 -0.010 0.000 0.633 17 A CB -0.786 18.206 19.000 -0.013 0.000 0.819 17 A HN 0.358 nan 8.150 nan 0.000 0.448 18 L N -0.379 120.850 121.223 0.010 0.000 2.017 18 L HA -0.055 4.286 4.340 0.002 0.000 0.208 18 L C 2.722 179.605 176.870 0.021 0.000 1.073 18 L CA 2.196 57.050 54.840 0.023 0.000 0.745 18 L CB -0.954 41.123 42.059 0.030 0.000 0.894 18 L HN 0.367 nan 8.230 nan 0.000 0.432 19 A N -0.535 122.291 122.820 0.010 0.000 1.873 19 A HA -0.292 4.029 4.320 0.002 0.000 0.218 19 A C 2.145 179.738 177.584 0.015 0.000 1.193 19 A CA 2.146 54.188 52.037 0.007 0.000 0.629 19 A CB -0.809 18.183 19.000 -0.013 0.000 0.826 19 A HN 0.625 nan 8.150 nan 0.000 0.447 20 E N -0.596 119.608 120.200 0.006 0.000 2.058 20 E HA -0.201 4.150 4.350 0.002 0.000 0.194 20 E C 2.112 178.723 176.600 0.019 0.000 0.997 20 E CA 1.202 57.607 56.400 0.009 0.000 0.801 20 E CB -0.167 29.532 29.700 -0.003 0.000 0.746 20 E HN 0.518 nan 8.360 nan 0.000 0.450 21 E N 0.788 120.993 120.200 0.008 0.000 2.038 21 E HA -0.189 4.162 4.350 0.002 0.000 0.195 21 E C 2.276 178.891 176.600 0.024 0.000 1.000 21 E CA 0.961 57.356 56.400 -0.009 0.000 0.803 21 E CB -0.322 29.362 29.700 -0.027 0.000 0.750 21 E HN 0.315 nan 8.360 nan 0.000 0.448 22 L N 0.266 121.526 121.223 0.062 0.000 2.046 22 L HA -0.188 4.153 4.340 0.002 0.000 0.208 22 L C 2.623 179.653 176.870 0.268 0.000 1.077 22 L CA 0.579 55.501 54.840 0.136 0.000 0.747 22 L CB -0.493 41.654 42.059 0.145 0.000 0.896 22 L HN 0.145 nan 8.230 nan 0.000 0.432 23 L N -0.054 121.295 121.223 0.210 0.000 1.970 23 L HA -0.224 4.116 4.340 0.002 0.000 0.212 23 L C 2.381 179.433 176.870 0.304 0.000 1.071 23 L CA 1.801 56.803 54.840 0.270 0.000 0.751 23 L CB -0.489 41.617 42.059 0.079 0.000 0.889 23 L HN 0.011 nan 8.230 nan 0.000 0.432 24 L N -0.014 121.298 121.223 0.148 0.000 1.990 24 L HA -0.277 4.064 4.340 0.002 0.000 0.213 24 L C 2.336 179.250 176.870 0.074 0.000 1.072 24 L CA 2.263 57.160 54.840 0.096 0.000 0.755 24 L CB -1.011 41.070 42.059 0.036 0.000 0.889 24 L HN 0.488 nan 8.230 nan 0.000 0.432 25 D N -1.083 119.343 120.400 0.043 0.000 2.106 25 D HA -0.192 4.449 4.640 0.002 0.000 0.191 25 D C 2.142 178.393 176.300 -0.081 0.000 0.997 25 D CA 1.675 55.666 54.000 -0.016 0.000 0.834 25 D CB -0.311 40.470 40.800 -0.031 0.000 0.956 25 D HN 0.277 nan 8.370 nan 0.000 0.448 26 G N -1.338 107.388 108.800 -0.123 0.000 2.411 26 G HA2 -0.120 3.841 3.960 0.002 0.000 0.213 26 G HA3 -0.120 3.841 3.960 0.002 0.000 0.213 26 G C 1.013 175.495 174.900 -0.696 0.000 1.166 26 G CA 0.208 44.906 45.100 -0.671 0.000 0.802 26 G HN 0.362 nan 8.290 nan 0.000 0.533 27 W N 1.089 122.390 121.300 0.002 0.000 2.870 27 W HA 0.395 5.056 4.660 0.002 0.000 0.358 27 W C 0.908 177.427 176.519 0.001 0.000 1.043 27 W CA -0.701 56.645 57.345 0.002 0.000 1.692 27 W CB 0.383 29.843 29.460 -0.000 0.000 1.100 27 W HN 0.178 nan 8.180 nan 0.000 0.557 28 G N 1.537 110.430 108.800 0.155 0.000 2.528 28 G HA2 0.417 4.378 3.960 0.002 0.000 0.289 28 G HA3 0.417 4.378 3.960 0.002 0.000 0.289 28 G C -2.435 172.493 174.900 0.048 0.000 1.192 28 G CA -0.857 44.300 45.100 0.094 0.000 0.921 28 G HN -0.314 nan 8.290 nan 0.000 0.512 29 P HA 0.091 nan 4.420 nan 0.000 0.261 29 P C -2.202 175.107 177.300 0.014 0.000 1.165 29 P CA -0.356 62.758 63.100 0.024 0.000 0.759 29 P CB -0.171 31.542 31.700 0.023 0.000 0.772 30 P HA -0.093 nan 4.420 nan 0.000 0.252 30 P C 0.092 177.400 177.300 0.013 0.000 1.147 30 P CA 0.559 63.661 63.100 0.004 0.000 0.779 30 P CB -0.092 31.610 31.700 0.002 0.000 0.733 31 L N 1.465 122.700 121.223 0.019 0.000 2.456 31 L HA 0.258 4.599 4.340 0.002 0.000 0.246 31 L C 0.835 177.731 176.870 0.043 0.000 1.238 31 L CA 0.025 54.886 54.840 0.035 0.000 0.826 31 L CB -0.622 41.467 42.059 0.049 0.000 1.150 31 L HN 0.258 nan 8.230 nan 0.000 0.514 32 D N 1.251 121.685 120.400 0.056 0.000 2.356 32 D HA 0.057 4.698 4.640 0.002 0.000 0.272 32 D C -1.381 174.948 176.300 0.048 0.000 1.337 32 D CA -1.054 52.976 54.000 0.050 0.000 0.970 32 D CB 1.049 41.885 40.800 0.060 0.000 1.092 32 D HN 0.293 nan 8.370 nan 0.000 0.516 33 P HA -0.147 nan 4.420 nan 0.000 0.217 33 P C 0.249 177.554 177.300 0.009 0.000 1.151 33 P CA 1.206 64.313 63.100 0.013 0.000 0.849 33 P CB 0.314 32.014 31.700 0.001 0.000 0.787 34 E N -1.232 118.976 120.200 0.014 0.000 2.569 34 E HA 0.247 4.598 4.350 0.002 0.000 0.205 34 E C 1.056 177.667 176.600 0.018 0.000 1.006 34 E CA -0.454 55.950 56.400 0.007 0.000 0.985 34 E CB 0.200 29.899 29.700 -0.000 0.000 1.060 34 E HN 0.144 nan 8.360 nan 0.000 0.460 35 G N 2.108 110.932 108.800 0.040 0.000 2.611 35 G HA2 0.267 4.228 3.960 0.002 0.000 0.273 35 G HA3 0.267 4.228 3.960 0.002 0.000 0.273 35 G C -2.126 172.792 174.900 0.029 0.000 1.305 35 G CA -0.844 44.289 45.100 0.055 0.000 1.010 35 G HN -0.026 nan 8.290 nan 0.000 0.509 36 P HA 0.219 nan 4.420 nan 0.000 0.276 36 P C -0.406 176.813 177.300 -0.135 0.000 1.261 36 P CA -0.416 62.612 63.100 -0.120 0.000 0.800 36 P CB 0.841 32.387 31.700 -0.257 0.000 1.066 37 Y N -0.645 119.472 120.300 -0.306 0.000 2.464 37 Y HA 0.253 4.804 4.550 0.002 0.000 0.288 37 Y C 0.388 176.070 175.900 -0.364 0.000 1.133 37 Y CA 0.587 58.542 58.100 -0.243 0.000 1.223 37 Y CB 0.250 38.629 38.460 -0.135 0.000 1.187 37 Y HN 0.150 nan 8.280 nan 0.000 0.539 38 S N 0.990 116.375 115.700 -0.525 0.000 2.437 38 S HA 0.437 4.908 4.470 0.002 0.000 0.305 38 S C -1.634 172.605 174.600 -0.601 0.000 1.109 38 S CA -0.320 57.575 58.200 -0.508 0.000 1.099 38 S CB 0.400 63.440 63.200 -0.266 0.000 1.004 38 S HN 0.166 nan 8.310 nan 0.000 0.475 39 Y N 0.152 120.319 120.300 -0.221 0.000 2.528 39 Y HA 0.420 4.971 4.550 0.002 0.000 0.335 39 Y C 0.407 176.145 175.900 -0.270 0.000 1.093 39 Y CA -1.094 56.878 58.100 -0.214 0.000 1.134 39 Y CB 0.832 39.197 38.460 -0.158 0.000 1.253 39 Y HN 0.486 nan 8.280 nan 0.000 0.478 40 c N 2.388 120.845 118.600 -0.239 0.000 2.514 40 c HA 0.269 4.840 4.570 0.002 0.000 0.392 40 c C 0.277 174.289 174.090 -0.129 0.000 1.294 40 c CA -1.028 54.989 56.329 -0.520 0.000 1.957 40 c CB -1.211 40.344 42.510 -1.591 0.000 2.541 40 c HN 0.781 nan 8.230 nan 0.000 0.569 41 N N 0.976 119.720 118.700 0.073 0.000 2.513 41 N HA 0.238 4.979 4.740 0.002 0.000 0.274 41 N C -0.118 175.651 175.510 0.431 0.000 1.189 41 N CA 0.059 53.233 53.050 0.207 0.000 0.975 41 N CB 0.493 39.066 38.487 0.143 0.000 1.157 41 N HN 0.623 nan 8.380 nan 0.000 0.465 42 T N 1.606 116.330 114.554 0.283 0.000 2.822 42 T HA 0.129 4.480 4.350 0.002 0.000 0.288 42 T C 0.059 174.883 174.700 0.206 0.000 0.991 42 T CA 0.106 62.359 62.100 0.254 0.000 1.176 42 T CB -0.483 68.462 68.868 0.127 0.000 0.951 42 T HN 0.571 nan 8.240 nan 0.000 0.526 43 T N 1.497 116.149 114.554 0.164 0.000 2.883 43 T HA 0.661 5.011 4.350 0.002 0.000 0.296 43 T C -1.036 173.676 174.700 0.020 0.000 1.117 43 T CA -1.029 61.110 62.100 0.065 0.000 1.006 43 T CB 1.584 70.466 68.868 0.023 0.000 1.191 43 T HN 0.341 nan 8.240 nan 0.000 0.508 44 L N 2.590 123.819 121.223 0.010 0.000 2.325 44 L HA 0.572 4.913 4.340 0.002 0.000 0.281 44 L C -0.669 176.226 176.870 0.042 0.000 1.004 44 L CA -0.325 54.513 54.840 -0.002 0.000 0.823 44 L CB 1.028 43.068 42.059 -0.032 0.000 1.236 44 L HN 0.894 nan 8.230 nan 0.000 0.415 45 D N 2.738 123.189 120.400 0.085 0.000 2.433 45 D HA 0.087 4.728 4.640 0.002 0.000 0.255 45 D C 0.544 176.890 176.300 0.078 0.000 1.226 45 D CA -0.320 53.741 54.000 0.101 0.000 1.015 45 D CB 0.480 41.405 40.800 0.209 0.000 1.091 45 D HN 0.565 nan 8.370 nan 0.000 0.527 46 Q N -0.033 119.802 119.800 0.057 0.000 2.482 46 Q HA -0.036 4.305 4.340 0.002 0.000 0.209 46 Q C 1.184 177.220 176.000 0.060 0.000 0.961 46 Q CA 0.610 56.453 55.803 0.067 0.000 0.945 46 Q CB -0.149 28.616 28.738 0.044 0.000 1.012 46 Q HN 0.517 nan 8.270 nan 0.000 0.515 47 I N -0.118 120.403 120.570 -0.082 0.000 3.228 47 I HA 0.200 4.370 4.170 0.002 0.000 0.279 47 I C 1.408 177.507 176.117 -0.030 0.000 1.221 47 I CA 1.065 62.182 61.300 -0.304 0.000 1.458 47 I CB -0.650 36.870 38.000 -0.800 0.000 1.105 47 I HN 0.376 nan 8.210 nan 0.000 0.445 48 G N 1.082 109.899 108.800 0.027 0.000 2.168 48 G HA2 -0.198 3.763 3.960 0.002 0.000 0.197 48 G HA3 -0.198 3.763 3.960 0.002 0.000 0.197 48 G C 0.355 175.212 174.900 -0.071 0.000 0.997 48 G CA 0.107 45.228 45.100 0.035 0.000 0.658 48 G HN 0.307 nan 8.290 nan 0.000 0.513 49 T N 0.759 115.234 114.554 -0.132 0.000 2.832 49 T HA 0.408 4.759 4.350 0.002 0.000 0.296 49 T C 0.404 174.835 174.700 -0.448 0.000 0.968 49 T CA 0.319 62.203 62.100 -0.359 0.000 1.107 49 T CB 1.723 70.270 68.868 -0.535 0.000 0.916 49 T HN 0.629 nan 8.240 nan 0.000 0.517 50 c N 6.434 124.770 118.600 -0.439 0.000 2.225 50 c HA 0.465 5.036 4.570 0.002 0.000 0.328 50 c C -0.341 173.501 174.090 -0.413 0.000 1.187 50 c CA -1.328 54.812 56.329 -0.316 0.000 1.665 50 c CB -1.655 40.750 42.510 -0.176 0.000 2.253 50 c HN 0.907 nan 8.230 nan 0.000 0.497 51 W N 8.538 129.715 121.300 -0.205 0.000 2.345 51 W HA 0.339 5.000 4.660 0.002 0.000 0.308 51 W C -1.707 174.812 176.519 -0.000 0.000 1.273 51 W CA -2.149 55.050 57.345 -0.242 0.000 1.243 51 W CB 0.363 29.355 29.460 -0.781 0.000 1.260 51 W HN 0.580 nan 8.180 nan 0.000 0.509 52 P HA 0.094 nan 4.420 nan 0.000 0.274 52 P C -0.325 177.190 177.300 0.359 0.000 1.256 52 P CA -0.621 62.619 63.100 0.233 0.000 0.795 52 P CB 0.701 32.487 31.700 0.143 0.000 1.038 53 R N 0.664 121.282 120.500 0.196 0.000 2.538 53 R HA 0.251 4.592 4.340 0.002 0.000 0.282 53 R C -0.412 175.951 176.300 0.105 0.000 1.009 53 R CA 0.808 56.981 56.100 0.122 0.000 1.063 53 R CB -0.193 30.067 30.300 -0.065 0.000 0.945 53 R HN 0.471 nan 8.270 nan 0.000 0.414 54 S N 1.790 117.557 115.700 0.111 0.000 2.546 54 S HA 0.516 4.986 4.470 0.002 0.000 0.274 54 S C -1.079 173.620 174.600 0.164 0.000 1.121 54 S CA -0.741 57.529 58.200 0.116 0.000 0.887 54 S CB 2.025 65.266 63.200 0.068 0.000 1.094 54 S HN 0.787 nan 8.310 nan 0.000 0.474 55 A N 1.657 124.589 122.820 0.186 0.000 2.462 55 A HA 0.650 4.971 4.320 0.002 0.000 0.243 55 A C 0.632 178.125 177.584 -0.151 0.000 1.076 55 A CA -0.129 51.906 52.037 -0.003 0.000 0.773 55 A CB -0.253 18.745 19.000 -0.003 0.000 1.010 55 A HN 1.248 nan 8.150 nan 0.000 0.493 56 A N 1.346 124.021 122.820 -0.243 0.000 2.566 56 A HA 0.459 4.779 4.320 0.002 0.000 0.245 56 A C 1.612 179.106 177.584 -0.149 0.000 1.056 56 A CA 0.938 52.846 52.037 -0.216 0.000 0.757 56 A CB -0.811 18.061 19.000 -0.212 0.000 0.979 56 A HN 2.754 nan 8.150 nan 0.000 0.508 57 G N 0.778 109.498 108.800 -0.132 0.000 2.194 57 G HA2 0.181 4.141 3.960 0.002 0.000 0.236 57 G HA3 0.181 4.141 3.960 0.002 0.000 0.236 57 G C 0.511 175.376 174.900 -0.059 0.000 0.987 57 G CA 0.315 45.363 45.100 -0.085 0.000 0.635 57 G HN 2.201 nan 8.290 nan 0.000 0.520 58 A N 0.065 122.847 122.820 -0.063 0.000 2.363 58 A HA 0.753 5.074 4.320 0.002 0.000 0.270 58 A C 0.008 177.604 177.584 0.019 0.000 1.121 58 A CA -0.091 51.940 52.037 -0.011 0.000 0.800 58 A CB 1.029 20.034 19.000 0.009 0.000 1.052 58 A HN 1.399 nan 8.150 nan 0.000 0.493 59 L N 4.169 125.426 121.223 0.056 0.000 2.255 59 L HA 0.517 4.858 4.340 0.002 0.000 0.289 59 L C -0.586 176.383 176.870 0.166 0.000 1.046 59 L CA 0.031 54.929 54.840 0.097 0.000 0.816 59 L CB 1.068 43.175 42.059 0.081 0.000 1.197 59 L HN 0.410 nan 8.230 nan 0.000 0.427 60 V N 4.644 124.688 119.914 0.217 0.000 2.427 60 V HA 0.438 4.559 4.120 0.002 0.000 0.286 60 V C 0.003 176.299 176.094 0.336 0.000 1.034 60 V CA -0.792 61.687 62.300 0.298 0.000 0.893 60 V CB 1.259 33.357 31.823 0.458 0.000 0.982 60 V HN 0.726 nan 8.190 nan 0.000 0.452 61 E N 4.843 125.167 120.200 0.207 0.000 2.231 61 E HA 0.675 5.026 4.350 0.002 0.000 0.277 61 E C -0.862 175.708 176.600 -0.051 0.000 0.999 61 E CA -0.947 55.444 56.400 -0.016 0.000 0.827 61 E CB 1.672 31.304 29.700 -0.113 0.000 1.101 61 E HN 0.401 nan 8.360 nan 0.000 0.393 62 R N 1.883 122.229 120.500 -0.258 0.000 2.795 62 R HA 0.454 4.795 4.340 0.002 0.000 0.275 62 R C -2.730 173.361 176.300 -0.347 0.000 0.981 62 R CA -2.766 53.098 56.100 -0.393 0.000 0.917 62 R CB 0.979 30.796 30.300 -0.805 0.000 1.202 62 R HN 0.378 nan 8.270 nan 0.000 0.469 63 P HA 0.172 nan 4.420 nan 0.000 0.271 63 P C -0.161 177.035 177.300 -0.173 0.000 1.218 63 P CA -0.434 62.561 63.100 -0.175 0.000 0.780 63 P CB 0.462 32.096 31.700 -0.111 0.000 0.901 64 c N 4.769 123.302 118.600 -0.110 0.000 2.634 64 c HA 0.126 4.697 4.570 0.002 0.000 0.417 64 c C -1.445 172.625 174.090 -0.033 0.000 1.334 64 c CA -0.446 55.843 56.329 -0.065 0.000 1.829 64 c CB -1.113 41.388 42.510 -0.015 0.000 2.665 64 c HN 0.545 nan 8.230 nan 0.000 0.614 65 P HA 0.060 nan 4.420 nan 0.000 0.269 65 P C 0.300 177.679 177.300 0.132 0.000 1.215 65 P CA 0.297 63.404 63.100 0.012 0.000 0.780 65 P CB 0.592 32.282 31.700 -0.017 0.000 0.898 66 E N 1.103 121.406 120.200 0.172 0.000 2.216 66 E HA -0.108 4.243 4.350 0.002 0.000 0.192 66 E C -0.377 176.440 176.600 0.361 0.000 0.988 66 E CA 0.532 57.068 56.400 0.226 0.000 0.834 66 E CB 0.137 29.935 29.700 0.163 0.000 0.772 66 E HN 0.511 nan 8.360 nan 0.000 0.479 67 Y N -0.596 119.849 120.300 0.240 0.000 2.433 67 Y HA 0.402 4.953 4.550 0.001 0.000 0.337 67 Y C -1.936 174.199 175.900 0.390 0.000 1.026 67 Y CA -1.207 57.062 58.100 0.283 0.000 1.037 67 Y CB 1.343 39.923 38.460 0.200 0.000 1.245 67 Y HN -0.101 nan 8.280 nan 0.000 0.443 68 F N 7.040 126.869 119.950 -0.201 0.000 2.689 68 F HA 0.377 4.905 4.527 0.002 0.000 0.332 68 F C -0.790 174.842 175.800 -0.280 0.000 1.209 68 F CA -0.957 56.953 58.000 -0.150 0.000 1.028 68 F CB 0.983 39.980 39.000 -0.004 0.000 1.291 68 F HN 0.694 nan 8.300 nan 0.000 0.500 69 N N 4.432 122.575 118.700 -0.929 0.000 2.696 69 N HA -0.172 4.569 4.740 0.002 0.000 0.256 69 N C 0.935 176.149 175.510 -0.493 0.000 1.031 69 N CA 1.594 54.237 53.050 -0.678 0.000 0.730 69 N CB -0.952 37.048 38.487 -0.811 0.000 0.894 69 N HN 1.537 nan 8.380 nan 0.000 0.544 70 G N -2.369 106.046 108.800 -0.641 0.000 2.166 70 G HA2 -0.299 3.662 3.960 0.002 0.000 0.260 70 G HA3 -0.299 3.662 3.960 0.002 0.000 0.260 70 G C 0.008 174.723 174.900 -0.309 0.000 0.986 70 G CA 0.583 45.497 45.100 -0.310 0.000 0.683 70 G HN 0.609 nan 8.290 nan 0.000 0.527 71 V N 0.409 120.039 119.914 -0.473 0.000 2.588 71 V HA 0.495 4.616 4.120 0.002 0.000 0.304 71 V C 0.223 176.142 176.094 -0.293 0.000 1.042 71 V CA -1.057 61.048 62.300 -0.325 0.000 0.877 71 V CB 1.946 33.575 31.823 -0.322 0.000 0.996 71 V HN 0.285 nan 8.190 nan 0.000 0.425 72 K N 3.755 124.026 120.400 -0.215 0.000 2.130 72 K HA 0.637 4.958 4.320 0.002 0.000 0.268 72 K C -1.491 174.969 176.600 -0.233 0.000 0.983 72 K CA -0.452 55.799 56.287 -0.059 0.000 0.893 72 K CB 1.602 34.128 32.500 0.043 0.000 1.066 72 K HN 0.524 nan 8.250 nan 0.000 0.450 73 Y N 0.163 120.503 120.300 0.067 0.000 2.630 73 Y HA 0.161 4.712 4.550 0.002 0.000 0.337 73 Y C 0.315 176.246 175.900 0.051 0.000 1.051 73 Y CA -1.132 57.002 58.100 0.057 0.000 1.121 73 Y CB 1.168 39.667 38.460 0.064 0.000 1.299 73 Y HN 0.527 nan 8.280 nan 0.000 0.498 74 N N 0.492 119.324 118.700 0.220 0.000 2.415 74 N HA 0.039 4.780 4.740 0.002 0.000 0.250 74 N C 0.584 176.162 175.510 0.113 0.000 1.127 74 N CA 0.113 53.241 53.050 0.130 0.000 0.945 74 N CB 0.632 39.181 38.487 0.103 0.000 1.196 74 N HN 0.732 nan 8.380 nan 0.000 0.499 75 T N -0.962 113.644 114.554 0.087 0.000 3.007 75 T HA -0.154 4.197 4.350 0.002 0.000 0.270 75 T C 1.529 176.241 174.700 0.021 0.000 1.107 75 T CA 1.413 63.543 62.100 0.050 0.000 1.118 75 T CB -0.638 68.254 68.868 0.041 0.000 0.889 75 T HN 0.546 nan 8.240 nan 0.000 0.506 76 T N -0.776 113.796 114.554 0.030 0.000 3.160 76 T HA 0.159 4.510 4.350 0.002 0.000 0.257 76 T C 0.938 175.651 174.700 0.021 0.000 1.147 76 T CA -0.267 61.845 62.100 0.021 0.000 1.064 76 T CB -0.078 68.806 68.868 0.027 0.000 0.949 76 T HN 0.183 nan 8.240 nan 0.000 0.526 77 R N 1.690 122.206 120.500 0.027 0.000 2.573 77 R HA 0.514 4.855 4.340 0.002 0.000 0.272 77 R C -0.278 176.001 176.300 -0.036 0.000 1.009 77 R CA -0.624 55.493 56.100 0.027 0.000 1.059 77 R CB 0.649 30.986 30.300 0.062 0.000 1.112 77 R HN 0.297 nan 8.270 nan 0.000 0.517 78 N N -0.333 118.319 118.700 -0.080 0.000 2.384 78 N HA 0.462 5.203 4.740 0.002 0.000 0.301 78 N C -0.898 174.362 175.510 -0.416 0.000 1.133 78 N CA -0.452 52.415 53.050 -0.304 0.000 0.853 78 N CB 2.237 40.428 38.487 -0.493 0.000 1.241 78 N HN 0.553 nan 8.380 nan 0.000 0.502 79 A N 1.036 123.555 122.820 -0.501 0.000 2.294 79 A HA 0.723 5.044 4.320 0.002 0.000 0.330 79 A C -1.443 175.844 177.584 -0.495 0.000 1.133 79 A CA -0.337 51.416 52.037 -0.473 0.000 0.836 79 A CB 0.489 19.102 19.000 -0.646 0.000 1.190 79 A HN 0.633 nan 8.150 nan 0.000 0.492 80 Y N -0.318 119.976 120.300 -0.010 0.000 2.442 80 Y HA 0.713 5.264 4.550 0.002 0.000 0.344 80 Y C 0.223 175.992 175.900 -0.218 0.000 0.976 80 Y CA -0.465 57.639 58.100 0.006 0.000 1.040 80 Y CB 2.170 40.611 38.460 -0.032 0.000 1.228 80 Y HN 0.818 nan 8.280 nan 0.000 0.451 81 R N 1.797 122.148 120.500 -0.248 0.000 2.626 81 R HA 0.337 4.678 4.340 0.002 0.000 0.274 81 R C -1.655 174.572 176.300 -0.122 0.000 1.031 81 R CA -0.669 55.133 56.100 -0.497 0.000 0.898 81 R CB 1.991 31.373 30.300 -1.530 0.000 1.222 81 R HN 0.846 nan 8.270 nan 0.000 0.455 82 E N 3.025 123.209 120.200 -0.028 0.000 2.197 82 E HA 0.164 4.515 4.350 0.002 0.000 0.281 82 E C -1.169 175.476 176.600 0.075 0.000 0.995 82 E CA -0.522 55.901 56.400 0.037 0.000 0.808 82 E CB 1.384 31.080 29.700 -0.007 0.000 1.093 82 E HN 0.544 nan 8.360 nan 0.000 0.394 83 c N 7.296 125.846 118.600 -0.084 0.000 2.349 83 c HA 0.359 4.930 4.570 0.002 0.000 0.348 83 c C 0.303 174.259 174.090 -0.223 0.000 1.223 83 c CA -0.671 55.430 56.329 -0.381 0.000 1.746 83 c CB -1.534 40.602 42.510 -0.624 0.000 2.360 83 c HN 0.666 nan 8.230 nan 0.000 0.533 84 L N 5.722 126.835 121.223 -0.184 0.000 2.473 84 L HA 0.171 4.511 4.340 0.002 0.000 0.268 84 L C 1.634 178.421 176.870 -0.139 0.000 1.215 84 L CA 0.138 54.904 54.840 -0.123 0.000 0.823 84 L CB 0.445 42.452 42.059 -0.086 0.000 1.099 84 L HN 0.689 nan 8.230 nan 0.000 0.483 85 E N 0.776 120.914 120.200 -0.103 0.000 2.267 85 E HA -0.224 4.127 4.350 0.002 0.000 0.197 85 E C 1.087 177.624 176.600 -0.105 0.000 0.998 85 E CA 1.463 57.803 56.400 -0.099 0.000 0.830 85 E CB -0.197 29.459 29.700 -0.072 0.000 0.751 85 E HN 0.688 nan 8.360 nan 0.000 0.491 86 N N -0.482 118.157 118.700 -0.100 0.000 2.398 86 N HA 0.049 4.790 4.740 0.002 0.000 0.188 86 N C 1.044 176.482 175.510 -0.120 0.000 1.122 86 N CA 0.647 53.641 53.050 -0.093 0.000 0.866 86 N CB 0.693 39.139 38.487 -0.068 0.000 0.970 86 N HN 0.129 nan 8.380 nan 0.000 0.462 87 G N -0.752 107.947 108.800 -0.169 0.000 2.141 87 G HA2 -0.281 3.680 3.960 0.002 0.000 0.242 87 G HA3 -0.281 3.680 3.960 0.002 0.000 0.242 87 G C 0.099 174.859 174.900 -0.233 0.000 0.982 87 G CA 0.548 45.520 45.100 -0.214 0.000 0.662 87 G HN 0.817 nan 8.290 nan 0.000 0.527 88 T N -2.438 111.997 114.554 -0.197 0.000 2.925 88 T HA 0.580 4.931 4.350 0.002 0.000 0.285 88 T C 0.183 174.769 174.700 -0.189 0.000 1.021 88 T CA -0.754 61.252 62.100 -0.157 0.000 1.042 88 T CB 1.584 70.420 68.868 -0.052 0.000 1.037 88 T HN 0.355 nan 8.240 nan 0.000 0.481 89 W N 1.419 122.679 121.300 -0.066 0.000 2.216 89 W HA 0.516 5.177 4.660 0.002 0.000 0.326 89 W C 0.955 177.406 176.519 -0.113 0.000 1.319 89 W CA -0.749 56.529 57.345 -0.111 0.000 1.213 89 W CB 0.440 29.821 29.460 -0.131 0.000 1.171 89 W HN 1.010 nan 8.180 nan 0.000 0.557 90 A N 2.008 124.921 122.820 0.156 0.000 2.531 90 A HA 0.088 4.409 4.320 0.002 0.000 0.236 90 A C 1.451 179.053 177.584 0.030 0.000 1.062 90 A CA 0.530 52.597 52.037 0.049 0.000 0.760 90 A CB 0.254 19.257 19.000 0.005 0.000 0.995 90 A HN 0.820 nan 8.150 nan 0.000 0.501 91 S N 1.457 117.164 115.700 0.011 0.000 2.414 91 S HA -0.025 4.446 4.470 0.002 0.000 0.227 91 S C 0.852 175.439 174.600 -0.021 0.000 1.022 91 S CA 1.119 59.319 58.200 0.001 0.000 0.958 91 S CB -0.160 63.047 63.200 0.012 0.000 0.797 91 S HN 0.700 nan 8.310 nan 0.000 0.493 92 K N 0.998 121.382 120.400 -0.027 0.000 2.201 92 K HA 0.526 4.847 4.320 0.002 0.000 0.278 92 K C -1.366 175.199 176.600 -0.059 0.000 1.027 92 K CA -0.529 55.742 56.287 -0.027 0.000 0.909 92 K CB 0.613 33.102 32.500 -0.018 0.000 1.062 92 K HN 0.300 nan 8.250 nan 0.000 0.465 93 I N 3.405 123.957 120.570 -0.030 0.000 2.406 93 I HA 0.135 4.306 4.170 0.002 0.000 0.290 93 I C -0.122 175.997 176.117 0.004 0.000 0.999 93 I CA -0.931 60.327 61.300 -0.070 0.000 1.124 93 I CB 1.585 39.585 38.000 -0.000 0.000 1.289 93 I HN 0.496 nan 8.210 nan 0.000 0.441 94 N N 5.527 124.189 118.700 -0.062 0.000 2.415 94 N HA 0.102 4.842 4.740 0.002 0.000 0.250 94 N C -0.342 175.126 175.510 -0.070 0.000 1.127 94 N CA 0.288 53.343 53.050 0.008 0.000 0.945 94 N CB 0.231 38.758 38.487 0.068 0.000 1.196 94 N HN 0.463 nan 8.380 nan 0.000 0.499 95 Y N 0.609 120.931 120.300 0.036 0.000 2.524 95 Y HA 0.023 4.574 4.550 0.002 0.000 0.266 95 Y C 2.171 178.074 175.900 0.005 0.000 1.180 95 Y CA -0.123 57.970 58.100 -0.012 0.000 1.244 95 Y CB 0.259 38.651 38.460 -0.113 0.000 1.125 95 Y HN 0.575 nan 8.280 nan 0.000 0.524 96 S N -0.605 115.183 115.700 0.146 0.000 2.440 96 S HA -0.213 4.258 4.470 0.002 0.000 0.238 96 S C 1.523 176.191 174.600 0.114 0.000 1.010 96 S CA 1.187 59.454 58.200 0.112 0.000 0.972 96 S CB -0.063 63.183 63.200 0.077 0.000 0.774 96 S HN 0.397 nan 8.310 nan 0.000 0.501 97 Q N 0.035 119.914 119.800 0.131 0.000 2.360 97 Q HA 0.243 4.584 4.340 0.002 0.000 0.202 97 Q C 0.122 176.195 176.000 0.122 0.000 0.915 97 Q CA 0.050 55.930 55.803 0.129 0.000 0.943 97 Q CB -0.291 28.550 28.738 0.171 0.000 1.064 97 Q HN 0.593 nan 8.270 nan 0.000 0.511 98 c N 2.776 121.449 118.600 0.121 0.000 2.322 98 c HA 0.354 4.925 4.570 0.002 0.000 0.343 98 c C 0.750 175.008 174.090 0.281 0.000 1.190 98 c CA -0.733 55.674 56.329 0.129 0.000 1.704 98 c CB -0.743 41.752 42.510 -0.025 0.000 2.293 98 c HN 0.262 nan 8.230 nan 0.000 0.523 99 E N 4.123 124.514 120.200 0.318 0.000 2.264 99 E HA 0.562 4.913 4.350 0.002 0.000 0.260 99 E C -2.376 174.368 176.600 0.241 0.000 0.961 99 E CA -1.401 55.166 56.400 0.279 0.000 0.834 99 E CB 1.800 31.585 29.700 0.142 0.000 1.230 99 E HN 0.391 nan 8.360 nan 0.000 0.412 100 P HA 0.000 nan 4.420 nan 0.000 0.216 100 P CA 0.000 63.025 63.100 -0.125 0.000 0.800 100 P CB 0.000 31.541 31.700 -0.265 0.000 0.726