REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3n93_1_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 I 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 0.000 176.574 176.600 -0.043 0.000 0.988 -369 K CA 0.000 56.263 56.287 -0.040 0.000 0.838 -369 K CB 0.000 32.484 32.500 -0.027 0.000 1.064 -368 I N 3.544 124.082 120.570 -0.054 0.000 2.342 -368 I HA 0.163 4.330 4.170 -0.004 0.000 0.291 -368 I C 0.632 176.726 176.117 -0.039 0.000 1.010 -368 I CA -0.498 60.768 61.300 -0.057 0.000 1.308 -368 I CB 1.124 39.077 38.000 -0.078 0.000 1.400 -368 I HN 0.379 nan 8.210 nan 0.000 0.488 -367 E N 5.944 126.125 120.200 -0.031 0.000 2.366 -367 E HA 0.025 4.372 4.350 -0.004 0.000 0.266 -367 E C -0.204 176.385 176.600 -0.019 0.000 1.015 -367 E CA -0.053 56.335 56.400 -0.021 0.000 0.906 -367 E CB 0.896 30.588 29.700 -0.014 0.000 0.979 -367 E HN 0.503 nan 8.360 nan 0.000 0.443 -366 E N 1.309 121.501 120.200 -0.014 0.000 2.289 -366 E HA 0.213 4.561 4.350 -0.004 0.000 0.278 -366 E C 0.413 177.012 176.600 -0.001 0.000 1.032 -366 E CA 0.262 56.657 56.400 -0.008 0.000 0.854 -366 E CB 0.504 30.200 29.700 -0.006 0.000 1.046 -366 E HN 0.732 nan 8.360 nan 0.000 0.409 -365 G N 3.842 112.645 108.800 0.006 0.000 2.138 -365 G HA2 -0.228 3.729 3.960 -0.004 0.000 0.193 -365 G HA3 -0.228 3.729 3.960 -0.004 0.000 0.193 -365 G C -0.344 174.567 174.900 0.019 0.000 0.998 -365 G CA 0.365 45.474 45.100 0.014 0.000 0.668 -365 G HN 0.638 nan 8.290 nan 0.000 0.516 -364 K N -1.129 119.278 120.400 0.012 0.000 2.499 -364 K HA 0.891 5.209 4.320 -0.004 0.000 0.277 -364 K C -0.972 175.615 176.600 -0.023 0.000 1.025 -364 K CA -1.270 55.022 56.287 0.007 0.000 0.900 -364 K CB 1.436 33.935 32.500 -0.001 0.000 1.494 -364 K HN 0.182 nan 8.250 nan 0.000 0.442 -363 L N 1.305 122.493 121.223 -0.059 0.000 2.409 -363 L HA 0.539 4.876 4.340 -0.004 0.000 0.272 -363 L C -1.205 175.598 176.870 -0.113 0.000 0.980 -363 L CA -1.285 53.478 54.840 -0.127 0.000 0.826 -363 L CB 2.276 44.174 42.059 -0.269 0.000 1.268 -363 L HN 0.412 nan 8.230 nan 0.000 0.407 -362 V N 4.530 124.388 119.914 -0.094 0.000 2.435 -362 V HA 0.499 4.616 4.120 -0.004 0.000 0.290 -362 V C -0.015 176.048 176.094 -0.051 0.000 1.030 -362 V CA -0.335 61.939 62.300 -0.044 0.000 0.881 -362 V CB 1.975 33.782 31.823 -0.026 0.000 0.983 -362 V HN 0.495 nan 8.190 nan 0.000 0.445 -361 I N 3.559 124.164 120.570 0.059 0.000 2.465 -361 I HA 0.433 4.601 4.170 -0.004 0.000 0.291 -361 I C -1.174 175.189 176.117 0.410 0.000 1.014 -361 I CA -0.394 60.996 61.300 0.150 0.000 1.093 -361 I CB 2.096 40.158 38.000 0.103 0.000 1.267 -361 I HN 0.517 nan 8.210 nan 0.000 0.431 -360 W N 7.300 128.682 121.300 0.136 0.000 2.429 -360 W HA 0.679 5.336 4.660 -0.004 0.000 0.314 -360 W C -0.313 176.339 176.519 0.223 0.000 1.062 -360 W CA -0.921 56.502 57.345 0.131 0.000 1.211 -360 W CB 1.159 30.683 29.460 0.105 0.000 1.305 -360 W HN 0.222 nan 8.180 nan 0.000 0.476 -359 I N 2.722 123.484 120.570 0.321 0.000 3.074 -359 I HA 0.364 4.532 4.170 -0.004 0.000 0.310 -359 I C -0.393 175.824 176.117 0.166 0.000 1.153 -359 I CA -0.986 60.445 61.300 0.217 0.000 0.993 -359 I CB 1.921 39.887 38.000 -0.057 0.000 1.237 -359 I HN 0.168 nan 8.210 nan 0.000 0.443 -358 N N 2.394 121.164 118.700 0.116 0.000 2.530 -358 N HA 0.239 4.977 4.740 -0.004 0.000 0.273 -358 N C 0.961 176.456 175.510 -0.025 0.000 1.173 -358 N CA 0.827 53.907 53.050 0.051 0.000 0.967 -358 N CB 1.686 40.100 38.487 -0.122 0.000 1.109 -358 N HN 0.744 nan 8.380 nan 0.000 0.453 -357 G N 1.636 110.423 108.800 -0.021 0.000 2.499 -357 G HA2 -0.298 3.660 3.960 -0.004 0.000 0.221 -357 G HA3 -0.298 3.660 3.960 -0.004 0.000 0.221 -357 G C 0.871 175.755 174.900 -0.025 0.000 1.109 -357 G CA 1.242 46.298 45.100 -0.072 0.000 0.749 -357 G HN 0.820 nan 8.290 nan 0.000 0.568 -356 D N -0.148 120.152 120.400 -0.166 0.000 2.289 -356 D HA 0.013 4.651 4.640 -0.004 0.000 0.207 -356 D C 1.128 177.325 176.300 -0.170 0.000 0.966 -356 D CA 0.433 54.304 54.000 -0.215 0.000 0.868 -356 D CB 0.038 40.537 40.800 -0.501 0.000 0.943 -356 D HN 0.062 nan 8.370 nan 0.000 0.514 -355 K N 0.404 120.695 120.400 -0.181 0.000 2.155 -355 K HA 0.442 4.760 4.320 -0.004 0.000 0.237 -355 K C 1.042 177.578 176.600 -0.107 0.000 1.040 -355 K CA -0.339 55.865 56.287 -0.138 0.000 0.912 -355 K CB 0.243 32.638 32.500 -0.176 0.000 1.137 -355 K HN 0.078 nan 8.250 nan 0.000 0.498 -354 G N 1.671 110.400 108.800 -0.118 0.000 3.316 -354 G HA2 0.088 4.046 3.960 -0.004 0.000 0.255 -354 G HA3 0.088 4.046 3.960 -0.004 0.000 0.255 -354 G C 0.796 175.584 174.900 -0.187 0.000 0.880 -354 G CA -0.205 44.788 45.100 -0.178 0.000 1.956 -354 G HN 0.592 nan 8.290 nan 0.000 0.634 -353 Y N -0.659 119.560 120.300 -0.135 0.000 2.352 -353 Y HA -0.088 4.460 4.550 -0.004 0.000 0.292 -353 Y C 1.988 177.855 175.900 -0.055 0.000 1.136 -353 Y CA 1.064 59.094 58.100 -0.116 0.000 1.227 -353 Y CB -0.568 37.816 38.460 -0.128 0.000 0.991 -353 Y HN 0.363 nan 8.280 nan 0.000 0.545 -352 N N 0.666 119.207 118.700 -0.264 0.000 2.216 -352 N HA -0.051 4.686 4.740 -0.004 0.000 0.183 -352 N C 2.199 177.686 175.510 -0.038 0.000 1.017 -352 N CA 0.948 53.941 53.050 -0.096 0.000 0.861 -352 N CB -0.448 37.929 38.487 -0.183 0.000 0.986 -352 N HN 0.548 nan 8.380 nan 0.000 0.428 -351 G N 1.225 109.983 108.800 -0.070 0.000 2.418 -351 G HA2 -0.217 3.741 3.960 -0.004 0.000 0.217 -351 G HA3 -0.217 3.741 3.960 -0.004 0.000 0.217 -351 G C 1.438 176.347 174.900 0.016 0.000 1.158 -351 G CA 0.413 45.499 45.100 -0.023 0.000 0.771 -351 G HN 0.155 nan 8.290 nan 0.000 0.545 -350 L N 1.289 122.518 121.223 0.011 0.000 2.093 -350 L HA 0.208 4.545 4.340 -0.004 0.000 0.208 -350 L C 2.981 179.923 176.870 0.119 0.000 1.085 -350 L CA 1.990 56.863 54.840 0.055 0.000 0.755 -350 L CB -0.571 41.474 42.059 -0.023 0.000 0.904 -350 L HN 0.222 nan 8.230 nan 0.000 0.435 -349 A N -1.053 121.825 122.820 0.097 0.000 1.969 -349 A HA -0.179 4.138 4.320 -0.004 0.000 0.218 -349 A C 2.158 179.806 177.584 0.106 0.000 1.169 -349 A CA 1.491 53.591 52.037 0.104 0.000 0.635 -349 A CB -0.517 18.547 19.000 0.107 0.000 0.810 -349 A HN 0.578 nan 8.150 nan 0.000 0.445 -348 E N -0.315 119.938 120.200 0.089 0.000 2.077 -348 E HA -0.133 4.215 4.350 -0.004 0.000 0.193 -348 E C 1.920 178.594 176.600 0.123 0.000 0.989 -348 E CA 1.346 57.799 56.400 0.087 0.000 0.800 -348 E CB -0.219 29.517 29.700 0.060 0.000 0.746 -348 E HN 0.417 nan 8.360 nan 0.000 0.452 -347 V N 0.640 120.641 119.914 0.144 0.000 2.407 -347 V HA -0.192 3.926 4.120 -0.004 0.000 0.248 -347 V C 2.322 178.610 176.094 0.323 0.000 1.055 -347 V CA 1.864 64.280 62.300 0.193 0.000 1.049 -347 V CB -0.955 30.951 31.823 0.139 0.000 0.662 -347 V HN 0.408 nan 8.190 nan 0.000 0.455 -346 G N -0.253 108.746 108.800 0.331 0.000 2.440 -346 G HA2 -0.282 3.676 3.960 -0.004 0.000 0.218 -346 G HA3 -0.282 3.676 3.960 -0.004 0.000 0.218 -346 G C 1.682 176.709 174.900 0.211 0.000 1.154 -346 G CA 0.999 46.259 45.100 0.267 0.000 0.767 -346 G HN 0.460 nan 8.290 nan 0.000 0.552 -345 K N 0.058 120.551 120.400 0.155 0.000 2.057 -345 K HA -0.020 4.298 4.320 -0.004 0.000 0.207 -345 K C 2.434 179.106 176.600 0.120 0.000 1.049 -345 K CA 1.248 57.604 56.287 0.116 0.000 0.931 -345 K CB -0.109 32.444 32.500 0.089 0.000 0.714 -345 K HN 0.243 nan 8.250 nan 0.000 0.440 -344 K N -0.068 120.424 120.400 0.154 0.000 2.147 -344 K HA -0.153 4.164 4.320 -0.004 0.000 0.205 -344 K C 1.922 178.592 176.600 0.117 0.000 1.049 -344 K CA 1.136 57.523 56.287 0.167 0.000 0.936 -344 K CB -0.096 32.549 32.500 0.241 0.000 0.722 -344 K HN 0.050 nan 8.250 nan 0.000 0.446 -343 F N 2.016 121.882 119.950 -0.140 0.000 2.113 -343 F HA -0.144 4.381 4.527 -0.004 0.000 0.297 -343 F C 2.252 177.948 175.800 -0.173 0.000 1.103 -343 F CA 1.754 59.505 58.000 -0.415 0.000 1.248 -343 F CB -0.173 38.663 39.000 -0.273 0.000 0.999 -343 F HN 0.129 nan 8.300 nan 0.000 0.475 -342 E N 0.536 120.755 120.200 0.031 0.000 2.058 -342 E HA -0.351 3.997 4.350 -0.004 0.000 0.194 -342 E C 2.281 178.837 176.600 -0.073 0.000 0.997 -342 E CA 1.751 58.133 56.400 -0.031 0.000 0.801 -342 E CB -0.263 29.465 29.700 0.047 0.000 0.746 -342 E HN 0.426 nan 8.360 nan 0.000 0.450 -341 K N 0.456 120.842 120.400 -0.023 0.000 2.074 -341 K HA -0.219 4.098 4.320 -0.004 0.000 0.209 -341 K C 1.532 178.108 176.600 -0.040 0.000 1.048 -341 K CA 2.256 58.537 56.287 -0.011 0.000 0.926 -341 K CB -0.040 32.477 32.500 0.030 0.000 0.713 -341 K HN 0.099 nan 8.250 nan 0.000 0.444 -340 D N -0.822 119.534 120.400 -0.073 0.000 2.183 -340 D HA -0.067 4.570 4.640 -0.004 0.000 0.205 -340 D C 1.744 177.954 176.300 -0.151 0.000 0.962 -340 D CA 1.865 55.825 54.000 -0.067 0.000 0.849 -340 D CB 0.045 40.863 40.800 0.030 0.000 0.978 -340 D HN 0.574 nan 8.370 nan 0.000 0.488 -339 T N -4.235 110.137 114.554 -0.303 0.000 2.985 -339 T HA 0.369 4.717 4.350 -0.004 0.000 0.254 -339 T C 1.655 176.230 174.700 -0.210 0.000 1.021 -339 T CA 0.623 62.524 62.100 -0.331 0.000 0.957 -339 T CB 0.857 69.317 68.868 -0.681 0.000 1.047 -339 T HN 0.161 nan 8.240 nan 0.000 0.511 -338 G N 1.811 110.513 108.800 -0.162 0.000 2.148 -338 G HA2 -0.171 3.786 3.960 -0.004 0.000 0.254 -338 G HA3 -0.171 3.786 3.960 -0.004 0.000 0.254 -338 G C -0.058 174.806 174.900 -0.061 0.000 0.981 -338 G CA 0.080 45.129 45.100 -0.084 0.000 0.670 -338 G HN 0.563 nan 8.290 nan 0.000 0.528 -337 I N 1.024 121.544 120.570 -0.083 0.000 2.312 -337 I HA 0.298 4.465 4.170 -0.004 0.000 0.290 -337 I C 0.783 176.947 176.117 0.078 0.000 1.008 -337 I CA -1.172 60.136 61.300 0.015 0.000 1.226 -337 I CB 1.239 39.290 38.000 0.085 0.000 1.371 -337 I HN 0.149 nan 8.210 nan 0.000 0.468 -336 K N 5.416 125.845 120.400 0.049 0.000 2.412 -336 K HA 0.310 4.627 4.320 -0.004 0.000 0.281 -336 K C -0.958 175.661 176.600 0.032 0.000 1.027 -336 K CA -0.078 56.234 56.287 0.041 0.000 0.989 -336 K CB 0.672 33.185 32.500 0.021 0.000 0.935 -336 K HN 0.396 nan 8.250 nan 0.000 0.475 -335 V N 4.169 124.093 119.914 0.016 0.000 2.444 -335 V HA 0.224 4.341 4.120 -0.004 0.000 0.294 -335 V C -0.565 175.505 176.094 -0.041 0.000 1.022 -335 V CA -0.760 61.498 62.300 -0.070 0.000 0.850 -335 V CB 1.885 33.610 31.823 -0.163 0.000 0.992 -335 V HN 0.833 nan 8.190 nan 0.000 0.426 -334 T N 4.624 119.154 114.554 -0.039 0.000 2.770 -334 T HA 0.510 4.858 4.350 -0.004 0.000 0.283 -334 T C -0.258 174.462 174.700 0.033 0.000 0.988 -334 T CA -0.339 61.767 62.100 0.010 0.000 0.957 -334 T CB 1.440 70.324 68.868 0.027 0.000 0.930 -334 T HN 0.328 nan 8.240 nan 0.000 0.443 -333 V N 4.363 124.310 119.914 0.055 0.000 2.407 -333 V HA 0.439 4.556 4.120 -0.004 0.000 0.278 -333 V C 0.190 176.336 176.094 0.087 0.000 1.037 -333 V CA -0.606 61.748 62.300 0.090 0.000 0.900 -333 V CB 1.241 33.126 31.823 0.103 0.000 0.983 -333 V HN 0.840 nan 8.190 nan 0.000 0.459 -332 E N 2.519 122.779 120.200 0.101 0.000 2.312 -332 E HA 0.588 4.936 4.350 -0.004 0.000 0.267 -332 E C -1.227 175.296 176.600 -0.129 0.000 0.894 -332 E CA -0.824 55.535 56.400 -0.069 0.000 0.773 -332 E CB 2.202 31.848 29.700 -0.090 0.000 1.241 -332 E HN 1.004 nan 8.360 nan 0.000 0.432 -331 H N -0.700 118.148 119.070 -0.369 0.000 2.448 -331 H HA 0.392 4.945 4.556 -0.004 0.000 0.237 -331 H C -2.772 172.334 175.328 -0.370 0.000 1.391 -331 H CA -2.306 53.523 56.048 -0.366 0.000 1.477 -331 H CB -0.252 29.226 29.762 -0.472 0.000 1.520 -331 H HN 0.145 nan 8.280 nan 0.000 0.502 -330 P HA 0.075 nan 4.420 nan 0.000 0.272 -330 P C 0.007 177.139 177.300 -0.280 0.000 1.223 -330 P CA -0.269 62.534 63.100 -0.496 0.000 0.784 -330 P CB 0.970 32.214 31.700 -0.759 0.000 0.923 -329 D N 1.607 121.888 120.400 -0.198 0.000 2.399 -329 D HA 0.014 4.652 4.640 -0.004 0.000 0.241 -329 D C 0.367 176.607 176.300 -0.100 0.000 1.133 -329 D CA 0.231 54.171 54.000 -0.100 0.000 0.890 -329 D CB 0.259 41.020 40.800 -0.065 0.000 1.201 -329 D HN 0.357 nan 8.370 nan 0.000 0.432 -328 K N 0.619 120.988 120.400 -0.052 0.000 3.148 -328 K HA -0.223 4.094 4.320 -0.004 0.000 0.267 -328 K C 1.190 177.719 176.600 -0.120 0.000 0.996 -328 K CA -0.041 56.206 56.287 -0.066 0.000 0.737 -328 K CB -1.230 31.248 32.500 -0.036 0.000 1.308 -328 K HN 0.363 nan 8.250 nan 0.000 0.470 -327 L N -0.452 120.684 121.223 -0.144 0.000 2.156 -327 L HA -0.074 4.263 4.340 -0.004 0.000 0.208 -327 L C 2.315 179.115 176.870 -0.116 0.000 1.095 -327 L CA 1.725 56.499 54.840 -0.110 0.000 0.770 -327 L CB -0.347 41.695 42.059 -0.028 0.000 0.914 -327 L HN 0.320 nan 8.230 nan 0.000 0.439 -326 E N 0.966 120.857 120.200 -0.515 0.000 2.204 -326 E HA -0.269 4.078 4.350 -0.004 0.000 0.195 -326 E C 1.568 178.085 176.600 -0.139 0.000 0.990 -326 E CA 1.890 57.936 56.400 -0.590 0.000 0.821 -326 E CB -0.447 28.380 29.700 -1.454 0.000 0.750 -326 E HN 0.824 nan 8.360 nan 0.000 0.477 -325 E N 0.523 120.655 120.200 -0.114 0.000 2.216 -325 E HA -0.008 4.339 4.350 -0.004 0.000 0.192 -325 E C 2.027 178.635 176.600 0.013 0.000 0.973 -325 E CA 0.456 56.846 56.400 -0.017 0.000 0.851 -325 E CB 0.113 29.803 29.700 -0.016 0.000 0.804 -325 E HN 0.184 nan 8.360 nan 0.000 0.477 -324 K N 0.683 121.100 120.400 0.027 0.000 2.116 -324 K HA -0.101 4.216 4.320 -0.004 0.000 0.203 -324 K C 1.896 178.596 176.600 0.166 0.000 1.052 -324 K CA 0.545 56.877 56.287 0.075 0.000 0.952 -324 K CB -0.086 32.432 32.500 0.030 0.000 0.729 -324 K HN 0.004 nan 8.250 nan 0.000 0.446 -323 F N 2.859 122.864 119.950 0.091 0.000 2.095 -323 F HA -0.091 4.434 4.527 -0.004 0.000 0.298 -323 F C -1.242 174.401 175.800 -0.261 0.000 1.104 -323 F CA 1.077 59.043 58.000 -0.057 0.000 1.232 -323 F CB -0.713 38.154 39.000 -0.222 0.000 0.987 -323 F HN 0.081 nan 8.300 nan 0.000 0.475 -322 P HA -0.156 nan 4.420 nan 0.000 0.223 -322 P C 1.005 178.135 177.300 -0.283 0.000 1.151 -322 P CA 1.545 64.417 63.100 -0.380 0.000 0.787 -322 P CB -0.187 31.468 31.700 -0.075 0.000 0.788 -321 Q N -0.125 119.567 119.800 -0.181 0.000 2.083 -321 Q HA -0.065 4.273 4.340 -0.004 0.000 0.198 -321 Q C 2.267 178.175 176.000 -0.154 0.000 0.969 -321 Q CA 1.682 57.413 55.803 -0.121 0.000 0.838 -321 Q CB -0.551 28.157 28.738 -0.049 0.000 0.900 -321 Q HN 0.231 nan 8.270 nan 0.000 0.436 -320 V N -2.586 117.216 119.914 -0.187 0.000 2.535 -320 V HA 0.129 4.247 4.120 -0.004 0.000 0.246 -320 V C 2.079 177.984 176.094 -0.314 0.000 1.045 -320 V CA 1.213 63.405 62.300 -0.179 0.000 1.058 -320 V CB -0.785 30.997 31.823 -0.068 0.000 0.689 -320 V HN 0.224 nan 8.190 nan 0.000 0.461 -319 A N 0.956 123.432 122.820 -0.573 0.000 1.930 -319 A HA 0.186 4.504 4.320 -0.004 0.000 0.217 -319 A C 2.447 179.784 177.584 -0.411 0.000 1.175 -319 A CA 1.846 53.489 52.037 -0.656 0.000 0.627 -319 A CB -1.040 17.177 19.000 -1.305 0.000 0.815 -319 A HN 0.997 nan 8.150 nan 0.000 0.443 -318 A N -0.289 122.317 122.820 -0.357 0.000 2.139 -318 A HA -0.097 4.220 4.320 -0.004 0.000 0.221 -318 A C 2.091 179.587 177.584 -0.147 0.000 1.159 -318 A CA 2.269 54.178 52.037 -0.214 0.000 0.662 -318 A CB -0.939 17.962 19.000 -0.166 0.000 0.796 -318 A HN 0.883 nan 8.150 nan 0.000 0.463 -317 T N -5.859 108.606 114.554 -0.149 0.000 3.085 -317 T HA 0.451 4.798 4.350 -0.004 0.000 0.264 -317 T C 1.118 175.758 174.700 -0.100 0.000 1.019 -317 T CA 0.960 63.001 62.100 -0.098 0.000 0.910 -317 T CB 0.204 69.029 68.868 -0.071 0.000 1.059 -317 T HN 1.723 nan 8.240 nan 0.000 0.542 -316 G N 0.661 109.378 108.800 -0.138 0.000 2.132 -316 G HA2 -0.175 3.783 3.960 -0.004 0.000 0.234 -316 G HA3 -0.175 3.783 3.960 -0.004 0.000 0.234 -316 G C -0.301 174.522 174.900 -0.129 0.000 0.989 -316 G CA 0.094 45.120 45.100 -0.123 0.000 0.676 -316 G HN 0.611 nan 8.290 nan 0.000 0.522 -315 D N -0.447 119.857 120.400 -0.159 0.000 2.588 -315 D HA 0.712 5.349 4.640 -0.004 0.000 0.268 -315 D C 0.980 177.135 176.300 -0.241 0.000 1.176 -315 D CA 1.241 55.151 54.000 -0.150 0.000 1.080 -315 D CB 1.295 42.036 40.800 -0.098 0.000 1.186 -315 D HN 1.357 nan 8.370 nan 0.000 0.619 -314 G N 0.039 108.699 108.800 -0.234 0.000 2.582 -314 G HA2 -0.088 3.869 3.960 -0.004 0.000 0.222 -314 G HA3 -0.088 3.869 3.960 -0.004 0.000 0.222 -314 G C -2.686 171.900 174.900 -0.522 0.000 1.311 -314 G CA -0.582 44.241 45.100 -0.462 0.000 0.915 -314 G HN 0.460 nan 8.290 nan 0.000 0.528 -313 P HA 0.298 nan 4.420 nan 0.000 0.274 -313 P C 0.088 177.191 177.300 -0.327 0.000 1.237 -313 P CA -0.103 62.577 63.100 -0.700 0.000 0.793 -313 P CB 0.807 31.828 31.700 -1.133 0.000 0.977 -312 D N 0.368 120.638 120.400 -0.215 0.000 2.123 -312 D HA 0.024 4.661 4.640 -0.004 0.000 0.200 -312 D C 0.648 176.879 176.300 -0.114 0.000 0.976 -312 D CA 1.448 55.368 54.000 -0.134 0.000 0.831 -312 D CB 0.279 41.012 40.800 -0.112 0.000 0.974 -312 D HN 0.359 nan 8.370 nan 0.000 0.469 -311 I N 1.107 121.606 120.570 -0.117 0.000 2.498 -311 I HA 0.330 4.497 4.170 -0.004 0.000 0.290 -311 I C -0.517 175.573 176.117 -0.046 0.000 1.032 -311 I CA -0.687 60.569 61.300 -0.072 0.000 1.073 -311 I CB 3.101 41.107 38.000 0.011 0.000 1.251 -311 I HN -0.170 nan 8.210 nan 0.000 0.426 -310 I N 5.324 125.801 120.570 -0.155 0.000 2.530 -310 I HA 0.526 4.693 4.170 -0.004 0.000 0.297 -310 I C -1.563 174.624 176.117 0.118 0.000 1.011 -310 I CA -0.526 60.733 61.300 -0.068 0.000 1.107 -310 I CB 1.694 39.313 38.000 -0.635 0.000 1.285 -310 I HN 0.364 nan 8.210 nan 0.000 0.436 -309 F N 7.315 127.428 119.950 0.272 0.000 2.467 -309 F HA 0.577 5.102 4.527 -0.004 0.000 0.336 -309 F C -0.606 175.471 175.800 0.461 0.000 1.123 -309 F CA -0.189 58.008 58.000 0.327 0.000 0.964 -309 F CB 1.495 40.617 39.000 0.204 0.000 1.136 -309 F HN 0.443 nan 8.300 nan 0.000 0.447 -308 W N 1.957 123.405 121.300 0.246 0.000 3.064 -308 W HA 0.573 5.230 4.660 -0.004 0.000 0.328 -308 W C -1.341 175.068 176.519 -0.183 0.000 1.210 -308 W CA -1.269 56.125 57.345 0.082 0.000 1.178 -308 W CB 1.371 30.982 29.460 0.251 0.000 1.416 -308 W HN 0.678 nan 8.180 nan 0.000 0.568 -307 A N 2.847 125.376 122.820 -0.485 0.000 2.520 -307 A HA -0.014 4.303 4.320 -0.004 0.000 0.235 -307 A C 1.447 178.858 177.584 -0.289 0.000 1.065 -307 A CA 1.091 52.921 52.037 -0.344 0.000 0.764 -307 A CB -0.155 18.588 19.000 -0.429 0.000 1.002 -307 A HN 0.799 nan 8.150 nan 0.000 0.502 -306 H N 1.552 120.437 119.070 -0.309 0.000 2.489 -306 H HA -0.169 4.384 4.556 -0.004 0.000 0.295 -306 H C 1.166 176.422 175.328 -0.120 0.000 1.082 -306 H CA 1.504 57.333 56.048 -0.364 0.000 1.295 -306 H CB -0.460 29.180 29.762 -0.203 0.000 1.380 -306 H HN 0.855 nan 8.280 nan 0.000 0.548 -305 D N 1.563 121.539 120.400 -0.707 0.000 2.182 -305 D HA -0.206 4.432 4.640 -0.004 0.000 0.201 -305 D C 1.783 178.019 176.300 -0.107 0.000 0.986 -305 D CA 0.733 54.514 54.000 -0.364 0.000 0.847 -305 D CB -0.332 40.330 40.800 -0.229 0.000 0.942 -305 D HN 0.316 nan 8.370 nan 0.000 0.467 -304 R N -0.814 119.663 120.500 -0.039 0.000 2.240 -304 R HA 0.046 4.384 4.340 -0.004 0.000 0.203 -304 R C 1.983 177.938 176.300 -0.576 0.000 1.011 -304 R CA 0.042 55.978 56.100 -0.273 0.000 1.007 -304 R CB -0.447 29.643 30.300 -0.351 0.000 0.911 -304 R HN 0.248 nan 8.270 nan 0.000 0.468 -303 F N 0.578 120.236 119.950 -0.485 0.000 2.206 -303 F HA 0.051 4.576 4.527 -0.004 0.000 0.298 -303 F C 2.529 178.134 175.800 -0.326 0.000 1.090 -303 F CA 0.905 58.703 58.000 -0.337 0.000 1.323 -303 F CB -1.141 37.822 39.000 -0.061 0.000 1.028 -303 F HN 0.092 nan 8.300 nan 0.000 0.492 -302 G N -0.084 108.610 108.800 -0.178 0.000 2.469 -302 G HA2 -0.246 3.711 3.960 -0.004 0.000 0.219 -302 G HA3 -0.246 3.711 3.960 -0.004 0.000 0.219 -302 G C 2.081 176.589 174.900 -0.653 0.000 1.150 -302 G CA 1.039 45.785 45.100 -0.590 0.000 0.763 -302 G HN 0.514 nan 8.290 nan 0.000 0.561 -301 G N -0.336 108.248 108.800 -0.360 0.000 2.408 -301 G HA2 -0.122 3.835 3.960 -0.004 0.000 0.217 -301 G HA3 -0.122 3.835 3.960 -0.004 0.000 0.217 -301 G C 1.622 176.490 174.900 -0.052 0.000 1.150 -301 G CA 0.992 45.969 45.100 -0.205 0.000 0.776 -301 G HN 0.385 nan 8.290 nan 0.000 0.542 -300 Y N 1.379 121.610 120.300 -0.114 0.000 2.145 -300 Y HA 0.021 4.569 4.550 -0.004 0.000 0.286 -300 Y C 3.124 178.960 175.900 -0.107 0.000 1.145 -300 Y CA 0.168 58.218 58.100 -0.083 0.000 1.148 -300 Y CB -1.258 37.136 38.460 -0.110 0.000 0.981 -300 Y HN 0.263 nan 8.280 nan 0.000 0.507 -299 A N -0.230 122.574 122.820 -0.027 0.000 1.902 -299 A HA -0.252 4.066 4.320 -0.004 0.000 0.217 -299 A C 2.232 179.814 177.584 -0.003 0.000 1.181 -299 A CA 1.821 53.835 52.037 -0.038 0.000 0.623 -299 A CB -0.761 18.191 19.000 -0.081 0.000 0.818 -299 A HN 0.404 nan 8.150 nan 0.000 0.443 -298 Q N 0.435 120.169 119.800 -0.110 0.000 2.061 -298 Q HA -0.118 4.219 4.340 -0.004 0.000 0.204 -298 Q C 2.066 178.100 176.000 0.056 0.000 0.984 -298 Q CA 2.358 58.198 55.803 0.061 0.000 0.846 -298 Q CB -0.566 28.191 28.738 0.032 0.000 0.902 -298 Q HN 0.518 nan 8.270 nan 0.000 0.421 -297 S N -1.129 114.589 115.700 0.031 0.000 2.507 -297 S HA 0.131 4.599 4.470 -0.004 0.000 0.235 -297 S C 1.096 175.704 174.600 0.013 0.000 0.988 -297 S CA 0.794 59.009 58.200 0.024 0.000 0.944 -297 S CB -0.168 63.045 63.200 0.023 0.000 0.762 -297 S HN 0.728 nan 8.310 nan 0.000 0.526 -296 G N 0.761 109.577 108.800 0.026 0.000 2.131 -296 G HA2 -0.191 3.766 3.960 -0.004 0.000 0.223 -296 G HA3 -0.191 3.766 3.960 -0.004 0.000 0.223 -296 G C 0.487 175.385 174.900 -0.004 0.000 0.990 -296 G CA 0.183 45.293 45.100 0.017 0.000 0.671 -296 G HN 0.482 nan 8.290 nan 0.000 0.521 -295 L N -0.677 120.547 121.223 0.001 0.000 2.529 -295 L HA 0.400 4.737 4.340 -0.004 0.000 0.223 -295 L C 1.106 177.995 176.870 0.032 0.000 1.113 -295 L CA 0.447 55.271 54.840 -0.028 0.000 0.861 -295 L CB -0.024 41.990 42.059 -0.075 0.000 1.012 -295 L HN 0.196 nan 8.230 nan 0.000 0.461 -294 L N 0.068 121.313 121.223 0.036 0.000 2.329 -294 L HA 0.609 4.947 4.340 -0.004 0.000 0.279 -294 L C 0.265 177.153 176.870 0.031 0.000 1.014 -294 L CA -0.635 54.220 54.840 0.025 0.000 0.814 -294 L CB 1.752 43.814 42.059 0.005 0.000 1.257 -294 L HN -0.120 nan 8.230 nan 0.000 0.424 -293 A N 2.057 124.894 122.820 0.028 0.000 2.425 -293 A HA 0.184 4.502 4.320 -0.004 0.000 0.249 -293 A C 0.076 177.686 177.584 0.044 0.000 1.084 -293 A CA -0.215 51.842 52.037 0.033 0.000 0.781 -293 A CB 0.308 19.327 19.000 0.033 0.000 1.019 -293 A HN 0.792 nan 8.150 nan 0.000 0.490 -292 E N 1.074 121.298 120.200 0.039 0.000 2.360 -292 E HA 0.317 4.664 4.350 -0.004 0.000 0.269 -292 E C -0.286 176.326 176.600 0.021 0.000 1.022 -292 E CA -0.223 56.197 56.400 0.034 0.000 0.887 -292 E CB 0.306 30.023 29.700 0.028 0.000 0.990 -292 E HN 0.554 nan 8.360 nan 0.000 0.426 -291 I N 1.083 121.648 120.570 -0.007 0.000 2.499 -291 I HA 0.324 4.492 4.170 -0.004 0.000 0.296 -291 I C 0.281 176.368 176.117 -0.051 0.000 0.992 -291 I CA -0.620 60.659 61.300 -0.034 0.000 1.297 -291 I CB 1.702 39.597 38.000 -0.176 0.000 1.410 -291 I HN 0.330 nan 8.210 nan 0.000 0.507 -290 T N 1.980 116.528 114.554 -0.009 0.000 3.390 -290 T HA 0.486 4.834 4.350 -0.004 0.000 0.315 -290 T C -2.327 172.368 174.700 -0.008 0.000 1.799 -290 T CA -1.501 60.588 62.100 -0.017 0.000 1.553 -290 T CB -0.260 68.611 68.868 0.006 0.000 1.002 -290 T HN 0.553 nan 8.240 nan 0.000 0.715 -289 P HA 0.324 nan 4.420 nan 0.000 0.279 -289 P C -0.376 176.933 177.300 0.015 0.000 1.239 -289 P CA -0.204 62.911 63.100 0.026 0.000 0.789 -289 P CB 1.046 32.817 31.700 0.118 0.000 0.933 -288 D N 1.496 121.944 120.400 0.081 0.000 2.411 -288 D HA 0.078 4.716 4.640 -0.004 0.000 0.251 -288 D C 1.143 177.488 176.300 0.075 0.000 1.201 -288 D CA -0.416 53.620 54.000 0.061 0.000 0.996 -288 D CB 0.667 41.506 40.800 0.064 0.000 1.101 -288 D HN 0.028 nan 8.370 nan 0.000 0.504 -287 K N 0.031 120.451 120.400 0.034 0.000 2.009 -287 K HA -0.128 4.190 4.320 -0.004 0.000 0.210 -287 K C 1.951 178.582 176.600 0.052 0.000 1.049 -287 K CA 1.588 57.884 56.287 0.014 0.000 0.929 -287 K CB -0.954 31.549 32.500 0.005 0.000 0.714 -287 K HN 0.599 nan 8.250 nan 0.000 0.440 -286 A N 0.134 123.002 122.820 0.080 0.000 1.940 -286 A HA -0.185 4.133 4.320 -0.004 0.000 0.219 -286 A C 2.164 179.827 177.584 0.132 0.000 1.176 -286 A CA 1.463 53.553 52.037 0.089 0.000 0.631 -286 A CB -0.720 18.334 19.000 0.090 0.000 0.814 -286 A HN 0.408 nan 8.150 nan 0.000 0.446 -285 F N 0.316 120.311 119.950 0.075 0.000 2.206 -285 F HA -0.125 4.400 4.527 -0.003 0.000 0.298 -285 F C 2.526 178.468 175.800 0.236 0.000 1.090 -285 F CA 1.888 59.976 58.000 0.146 0.000 1.323 -285 F CB -0.185 38.922 39.000 0.180 0.000 1.028 -285 F HN 0.278 nan 8.300 nan 0.000 0.492 -284 Q N -0.083 119.838 119.800 0.201 0.000 2.124 -284 Q HA -0.208 4.129 4.340 -0.004 0.000 0.202 -284 Q C 1.509 177.623 176.000 0.190 0.000 0.977 -284 Q CA 1.597 57.480 55.803 0.133 0.000 0.850 -284 Q CB -0.262 28.326 28.738 -0.250 0.000 0.901 -284 Q HN 0.399 nan 8.270 nan 0.000 0.429 -283 D N 0.404 120.839 120.400 0.058 0.000 2.350 -283 D HA -0.088 4.550 4.640 -0.004 0.000 0.216 -283 D C 1.266 177.541 176.300 -0.042 0.000 0.968 -283 D CA 0.845 54.860 54.000 0.025 0.000 0.894 -283 D CB 0.031 40.836 40.800 0.007 0.000 0.909 -283 D HN 0.173 nan 8.370 nan 0.000 0.520 -282 K N -0.174 120.160 120.400 -0.109 0.000 2.365 -282 K HA 0.062 4.380 4.320 -0.004 0.000 0.199 -282 K C 0.605 177.026 176.600 -0.299 0.000 1.045 -282 K CA 0.435 56.585 56.287 -0.229 0.000 0.962 -282 K CB 0.432 32.723 32.500 -0.349 0.000 0.759 -282 K HN 0.162 nan 8.250 nan 0.000 0.469 -281 L N 0.336 121.419 121.223 -0.235 0.000 2.342 -281 L HA 0.338 4.675 4.340 -0.004 0.000 0.271 -281 L C -0.410 176.290 176.870 -0.284 0.000 1.008 -281 L CA -1.426 53.191 54.840 -0.372 0.000 0.818 -281 L CB 0.732 42.437 42.059 -0.589 0.000 1.296 -281 L HN -0.101 nan 8.230 nan 0.000 0.427 -280 Y N 1.783 121.953 120.300 -0.217 0.000 2.810 -280 Y HA -0.036 4.511 4.550 -0.004 0.000 0.332 -280 Y C -1.389 174.427 175.900 -0.140 0.000 1.243 -280 Y CA -0.850 57.162 58.100 -0.147 0.000 1.537 -280 Y CB -0.135 38.203 38.460 -0.204 0.000 1.265 -280 Y HN 0.450 nan 8.280 nan 0.000 0.572 -279 P HA -0.236 nan 4.420 nan 0.000 0.216 -279 P C 1.443 178.866 177.300 0.205 0.000 1.150 -279 P CA 1.649 64.915 63.100 0.276 0.000 0.837 -279 P CB -0.142 31.707 31.700 0.248 0.000 0.786 -278 F N -0.138 119.898 119.950 0.143 0.000 2.365 -278 F HA -0.102 4.423 4.527 -0.003 0.000 0.300 -278 F C 1.822 177.640 175.800 0.030 0.000 1.090 -278 F CA 1.530 59.574 58.000 0.072 0.000 1.408 -278 F CB -2.082 36.933 39.000 0.025 0.000 1.060 -278 F HN -0.104 nan 8.300 nan 0.000 0.534 -277 T N -3.233 110.811 114.554 -0.850 0.000 2.857 -277 T HA -0.167 4.180 4.350 -0.004 0.000 0.266 -277 T C 1.608 176.105 174.700 -0.338 0.000 1.048 -277 T CA 1.032 62.719 62.100 -0.688 0.000 1.139 -277 T CB -1.222 67.191 68.868 -0.759 0.000 0.874 -277 T HN 0.572 nan 8.240 nan 0.000 0.455 -276 W N 2.147 123.356 121.300 -0.151 0.000 2.363 -276 W HA 0.010 4.667 4.660 -0.004 0.000 0.296 -276 W C 2.150 178.647 176.519 -0.037 0.000 1.212 -276 W CA 0.383 57.687 57.345 -0.069 0.000 1.260 -276 W CB -0.192 29.246 29.460 -0.037 0.000 1.131 -276 W HN 0.218 nan 8.180 nan 0.000 0.530 -275 D N 0.141 120.657 120.400 0.194 0.000 2.149 -275 D HA -0.181 4.457 4.640 -0.004 0.000 0.198 -275 D C 2.170 178.527 176.300 0.096 0.000 0.990 -275 D CA 1.811 55.901 54.000 0.150 0.000 0.839 -275 D CB -0.792 40.099 40.800 0.153 0.000 0.948 -275 D HN 0.155 nan 8.370 nan 0.000 0.460 -274 A N 0.484 123.298 122.820 -0.009 0.000 2.121 -274 A HA -0.047 4.271 4.320 -0.004 0.000 0.218 -274 A C 1.929 179.495 177.584 -0.029 0.000 1.154 -274 A CA 1.058 52.999 52.037 -0.160 0.000 0.679 -274 A CB -0.137 18.560 19.000 -0.505 0.000 0.795 -274 A HN 0.229 nan 8.150 nan 0.000 0.458 -273 V N -3.119 116.835 119.914 0.066 0.000 3.121 -273 V HA 0.401 4.519 4.120 -0.004 0.000 0.344 -273 V C 0.342 176.564 176.094 0.212 0.000 1.390 -273 V CA -0.438 61.952 62.300 0.149 0.000 1.177 -273 V CB -0.848 31.053 31.823 0.130 0.000 1.163 -273 V HN 0.376 nan 8.190 nan 0.000 0.484 -272 R N 0.848 121.470 120.500 0.204 0.000 2.294 -272 R HA 0.550 4.888 4.340 -0.004 0.000 0.319 -272 R C -1.716 174.743 176.300 0.264 0.000 0.984 -272 R CA -0.674 55.545 56.100 0.199 0.000 0.861 -272 R CB 1.262 31.652 30.300 0.150 0.000 1.104 -272 R HN 0.485 nan 8.270 nan 0.000 0.451 -271 Y N 4.368 124.727 120.300 0.099 0.000 2.386 -271 Y HA 0.193 4.740 4.550 -0.004 0.000 0.334 -271 Y C -0.539 175.402 175.900 0.068 0.000 1.002 -271 Y CA -1.029 57.126 58.100 0.091 0.000 1.068 -271 Y CB 1.393 39.912 38.460 0.099 0.000 1.203 -271 Y HN 0.838 nan 8.280 nan 0.000 0.443 -270 N N 3.842 122.215 118.700 -0.545 0.000 2.710 -270 N HA -0.201 4.536 4.740 -0.004 0.000 0.249 -270 N C 0.886 176.329 175.510 -0.113 0.000 1.059 -270 N CA 1.896 54.741 53.050 -0.343 0.000 0.720 -270 N CB -1.123 37.164 38.487 -0.332 0.000 0.983 -270 N HN 1.392 nan 8.380 nan 0.000 0.544 -269 G N -1.752 107.013 108.800 -0.058 0.000 2.168 -269 G HA2 -0.366 3.591 3.960 -0.004 0.000 0.263 -269 G HA3 -0.366 3.591 3.960 -0.004 0.000 0.263 -269 G C 0.028 174.930 174.900 0.004 0.000 0.977 -269 G CA 0.941 46.031 45.100 -0.016 0.000 0.659 -269 G HN 0.541 nan 8.290 nan 0.000 0.533 -268 K N -0.297 120.122 120.400 0.032 0.000 2.259 -268 K HA 0.629 4.946 4.320 -0.004 0.000 0.252 -268 K C 0.265 176.911 176.600 0.077 0.000 0.936 -268 K CA -0.930 55.384 56.287 0.046 0.000 0.810 -268 K CB 1.732 34.272 32.500 0.066 0.000 1.143 -268 K HN 0.110 nan 8.250 nan 0.000 0.427 -267 L N 4.733 125.978 121.223 0.035 0.000 2.361 -267 L HA 0.211 4.548 4.340 -0.004 0.000 0.278 -267 L C 0.942 177.855 176.870 0.072 0.000 1.113 -267 L CA 0.022 54.895 54.840 0.055 0.000 0.849 -267 L CB 0.101 42.134 42.059 -0.044 0.000 1.155 -267 L HN 0.685 nan 8.230 nan 0.000 0.452 -266 I N 0.434 121.087 120.570 0.139 0.000 4.009 -266 I HA 0.693 4.861 4.170 -0.004 0.000 0.331 -266 I C 0.335 176.568 176.117 0.193 0.000 1.462 -266 I CA -0.173 61.218 61.300 0.152 0.000 1.117 -266 I CB 0.521 38.639 38.000 0.197 0.000 1.091 -266 I HN 0.487 nan 8.210 nan 0.000 0.410 -265 A N -0.057 122.861 122.820 0.164 0.000 2.549 -265 A HA 0.640 4.958 4.320 -0.004 0.000 0.291 -265 A C -2.068 175.560 177.584 0.073 0.000 1.034 -265 A CA -0.529 51.629 52.037 0.202 0.000 0.655 -265 A CB 0.374 19.631 19.000 0.428 0.000 1.299 -265 A HN 0.132 nan 8.150 nan 0.000 0.427 -264 Y N 1.320 121.703 120.300 0.137 0.000 2.326 -264 Y HA 0.475 5.023 4.550 -0.004 0.000 0.337 -264 Y C -1.955 173.882 175.900 -0.104 0.000 1.023 -264 Y CA -1.921 56.219 58.100 0.067 0.000 1.143 -264 Y CB 1.166 39.682 38.460 0.095 0.000 1.183 -264 Y HN 0.418 nan 8.280 nan 0.000 0.485 -263 P HA 0.081 nan 4.420 nan 0.000 0.276 -263 P C -0.060 177.162 177.300 -0.129 0.000 1.230 -263 P CA 0.113 63.081 63.100 -0.221 0.000 0.776 -263 P CB 1.629 33.064 31.700 -0.442 0.000 0.888 -262 I N 1.025 121.567 120.570 -0.047 0.000 3.366 -262 I HA 0.359 4.527 4.170 -0.004 0.000 0.267 -262 I C 1.081 177.214 176.117 0.027 0.000 1.149 -262 I CA 0.169 61.492 61.300 0.039 0.000 1.436 -262 I CB -1.030 37.071 38.000 0.168 0.000 1.379 -262 I HN 0.358 nan 8.210 nan 0.000 0.460 -261 A N 0.384 123.216 122.820 0.021 0.000 2.612 -261 A HA 0.672 4.990 4.320 -0.004 0.000 0.293 -261 A C -1.337 176.273 177.584 0.044 0.000 1.075 -261 A CA -0.385 51.677 52.037 0.042 0.000 0.680 -261 A CB 1.434 20.480 19.000 0.076 0.000 1.279 -261 A HN -0.170 nan 8.150 nan 0.000 0.411 -260 V N 1.429 121.388 119.914 0.076 0.000 2.439 -260 V HA 0.456 4.573 4.120 -0.004 0.000 0.282 -260 V C -0.156 176.015 176.094 0.128 0.000 1.039 -260 V CA -0.162 62.211 62.300 0.121 0.000 0.913 -260 V CB 1.174 33.110 31.823 0.188 0.000 0.983 -260 V HN 0.870 nan 8.190 nan 0.000 0.460 -259 E N 3.113 123.411 120.200 0.163 0.000 2.210 -259 E HA 0.794 5.141 4.350 -0.004 0.000 0.266 -259 E C -0.638 176.097 176.600 0.225 0.000 0.883 -259 E CA -0.570 55.952 56.400 0.203 0.000 0.761 -259 E CB 2.303 32.192 29.700 0.314 0.000 1.156 -259 E HN 0.819 nan 8.360 nan 0.000 0.412 -258 A N 3.131 126.044 122.820 0.155 0.000 2.515 -258 A HA 0.561 4.879 4.320 -0.004 0.000 0.298 -258 A C -0.933 176.679 177.584 0.048 0.000 1.059 -258 A CA -0.739 51.377 52.037 0.132 0.000 0.698 -258 A CB 0.874 19.936 19.000 0.104 0.000 1.289 -258 A HN 0.574 nan 8.150 nan 0.000 0.404 -257 L N 1.387 122.614 121.223 0.007 0.000 2.439 -257 L HA 0.440 4.777 4.340 -0.004 0.000 0.269 -257 L C 0.574 177.444 176.870 -0.001 0.000 1.179 -257 L CA 0.092 54.911 54.840 -0.035 0.000 0.828 -257 L CB 1.151 43.165 42.059 -0.074 0.000 1.106 -257 L HN 0.728 nan 8.230 nan 0.000 0.467 -256 S N 1.480 117.188 115.700 0.015 0.000 2.671 -256 S HA 0.551 5.019 4.470 -0.004 0.000 0.299 -256 S C -0.949 173.654 174.600 0.005 0.000 1.116 -256 S CA -0.661 57.561 58.200 0.036 0.000 0.912 -256 S CB 2.010 65.273 63.200 0.105 0.000 1.130 -256 S HN 0.371 nan 8.310 nan 0.000 0.501 -255 L N 2.245 123.461 121.223 -0.012 0.000 2.319 -255 L HA 0.536 4.874 4.340 -0.004 0.000 0.280 -255 L C -1.277 175.619 176.870 0.043 0.000 1.099 -255 L CA 0.316 55.131 54.840 -0.042 0.000 0.828 -255 L CB -0.210 41.789 42.059 -0.100 0.000 1.150 -255 L HN 0.508 nan 8.230 nan 0.000 0.442 -254 I N 6.531 127.082 120.570 -0.032 0.000 2.378 -254 I HA 0.386 4.554 4.170 -0.004 0.000 0.291 -254 I C -0.976 175.141 176.117 0.001 0.000 0.992 -254 I CA -0.742 60.524 61.300 -0.057 0.000 1.154 -254 I CB 1.212 39.024 38.000 -0.313 0.000 1.315 -254 I HN 0.622 nan 8.210 nan 0.000 0.448 -253 Y N 4.149 124.505 120.300 0.095 0.000 2.581 -253 Y HA 0.521 5.069 4.550 -0.004 0.000 0.345 -253 Y C -0.873 175.281 175.900 0.424 0.000 1.036 -253 Y CA -1.544 56.716 58.100 0.266 0.000 1.042 -253 Y CB 0.942 39.460 38.460 0.097 0.000 1.289 -253 Y HN 0.439 nan 8.280 nan 0.000 0.471 -252 N N 2.575 121.492 118.700 0.362 0.000 2.420 -252 N HA 0.148 4.885 4.740 -0.004 0.000 0.249 -252 N C 0.177 175.725 175.510 0.063 0.000 1.033 -252 N CA -0.071 53.023 53.050 0.074 0.000 0.944 -252 N CB 1.075 39.518 38.487 -0.073 0.000 1.113 -252 N HN 0.898 nan 8.380 nan 0.000 0.502 -251 K N 1.889 122.249 120.400 -0.067 0.000 2.147 -251 K HA -0.111 4.207 4.320 -0.004 0.000 0.205 -251 K C 0.416 177.036 176.600 0.034 0.000 1.049 -251 K CA 1.123 57.411 56.287 0.002 0.000 0.936 -251 K CB 0.346 32.797 32.500 -0.082 0.000 0.722 -251 K HN 0.521 nan 8.250 nan 0.000 0.446 -250 D N 0.654 121.053 120.400 -0.002 0.000 2.162 -250 D HA -0.060 4.578 4.640 -0.004 0.000 0.203 -250 D C 1.853 178.158 176.300 0.009 0.000 0.967 -250 D CA 0.858 54.855 54.000 -0.005 0.000 0.840 -250 D CB 0.098 40.881 40.800 -0.028 0.000 0.972 -250 D HN 0.139 nan 8.370 nan 0.000 0.482 -249 L N -0.372 120.861 121.223 0.018 0.000 2.270 -249 L HA 0.107 4.444 4.340 -0.004 0.000 0.210 -249 L C 0.830 177.732 176.870 0.055 0.000 1.104 -249 L CA 0.505 55.362 54.840 0.028 0.000 0.804 -249 L CB 0.439 42.511 42.059 0.023 0.000 0.937 -249 L HN -0.079 nan 8.230 nan 0.000 0.450 -248 L N 0.104 121.387 121.223 0.101 0.000 2.514 -248 L HA 0.219 4.556 4.340 -0.004 0.000 0.257 -248 L C -1.844 175.123 176.870 0.161 0.000 1.101 -248 L CA -1.181 53.730 54.840 0.117 0.000 0.911 -248 L CB 1.977 44.129 42.059 0.154 0.000 1.162 -248 L HN -0.177 nan 8.230 nan 0.000 0.477 -247 P HA -0.091 nan 4.420 nan 0.000 0.215 -247 P C -0.127 177.216 177.300 0.072 0.000 1.153 -247 P CA 1.269 64.423 63.100 0.091 0.000 0.853 -247 P CB 0.245 31.968 31.700 0.037 0.000 0.788 -246 N N -0.024 118.671 118.700 -0.009 0.000 2.569 -246 N HA 0.224 4.961 4.740 -0.004 0.000 0.254 -246 N C -2.624 172.773 175.510 -0.188 0.000 1.004 -246 N CA -1.294 51.699 53.050 -0.095 0.000 0.904 -246 N CB 1.261 39.708 38.487 -0.068 0.000 1.165 -246 N HN 0.113 nan 8.380 nan 0.000 0.513 -245 P HA 0.236 nan 4.420 nan 0.000 0.272 -245 P C -2.525 174.596 177.300 -0.298 0.000 1.223 -245 P CA -0.889 61.936 63.100 -0.458 0.000 0.784 -245 P CB -0.089 31.032 31.700 -0.965 0.000 0.923 -244 P HA 0.119 nan 4.420 nan 0.000 0.271 -244 P C 0.357 177.538 177.300 -0.199 0.000 1.218 -244 P CA -0.104 62.886 63.100 -0.183 0.000 0.780 -244 P CB 0.793 32.392 31.700 -0.168 0.000 0.901 -243 K N 0.198 120.511 120.400 -0.145 0.000 2.361 -243 K HA 0.078 4.395 4.320 -0.004 0.000 0.196 -243 K C 1.066 177.599 176.600 -0.112 0.000 1.039 -243 K CA 0.824 57.035 56.287 -0.126 0.000 1.001 -243 K CB -0.311 32.136 32.500 -0.088 0.000 0.795 -243 K HN 0.667 nan 8.250 nan 0.000 0.495 -242 T N -4.043 110.448 114.554 -0.106 0.000 2.893 -242 T HA 0.310 4.658 4.350 -0.004 0.000 0.291 -242 T C 0.394 175.057 174.700 -0.062 0.000 1.028 -242 T CA -0.896 61.177 62.100 -0.045 0.000 0.995 -242 T CB 1.094 69.963 68.868 0.002 0.000 1.051 -242 T HN 0.108 nan 8.240 nan 0.000 0.470 -241 W N 0.944 122.203 121.300 -0.069 0.000 2.363 -241 W HA 0.067 4.725 4.660 -0.005 0.000 0.296 -241 W C 2.082 178.608 176.519 0.013 0.000 1.212 -241 W CA 1.011 58.300 57.345 -0.094 0.000 1.260 -241 W CB -0.213 29.033 29.460 -0.356 0.000 1.131 -241 W HN 0.805 nan 8.180 nan 0.000 0.530 -240 E N 0.124 120.437 120.200 0.189 0.000 2.265 -240 E HA -0.214 4.134 4.350 -0.004 0.000 0.196 -240 E C 1.779 178.535 176.600 0.259 0.000 0.996 -240 E CA 1.570 58.148 56.400 0.297 0.000 0.832 -240 E CB -0.465 29.334 29.700 0.166 0.000 0.756 -240 E HN 0.515 nan 8.360 nan 0.000 0.491 -239 E N 0.266 120.549 120.200 0.138 0.000 2.489 -239 E HA 0.002 4.350 4.350 -0.004 0.000 0.193 -239 E C 1.588 178.216 176.600 0.046 0.000 1.057 -239 E CA 0.065 56.507 56.400 0.069 0.000 0.866 -239 E CB -0.058 29.651 29.700 0.014 0.000 0.916 -239 E HN 0.278 nan 8.360 nan 0.000 0.500 -238 I N 1.607 122.237 120.570 0.099 0.000 2.202 -238 I HA -0.126 4.042 4.170 -0.004 0.000 0.242 -238 I C -0.557 175.512 176.117 -0.080 0.000 1.091 -238 I CA 0.710 62.035 61.300 0.040 0.000 1.368 -238 I CB -1.059 37.008 38.000 0.111 0.000 1.058 -238 I HN 0.092 nan 8.210 nan 0.000 0.410 -237 P HA -0.228 nan 4.420 nan 0.000 0.215 -237 P C 1.493 178.591 177.300 -0.337 0.000 1.157 -237 P CA 2.064 64.835 63.100 -0.548 0.000 0.874 -237 P CB -0.035 31.487 31.700 -0.296 0.000 0.790 -236 A N -0.940 121.811 122.820 -0.115 0.000 1.930 -236 A HA -0.167 4.151 4.320 -0.004 0.000 0.217 -236 A C 2.123 179.682 177.584 -0.041 0.000 1.175 -236 A CA 1.385 53.394 52.037 -0.047 0.000 0.627 -236 A CB -1.631 17.364 19.000 -0.008 0.000 0.815 -236 A HN 0.156 nan 8.150 nan 0.000 0.443 -235 L N 0.397 121.591 121.223 -0.047 0.000 2.083 -235 L HA -0.139 4.198 4.340 -0.004 0.000 0.209 -235 L C 1.824 178.682 176.870 -0.019 0.000 1.083 -235 L CA 2.717 57.540 54.840 -0.028 0.000 0.752 -235 L CB -0.802 41.239 42.059 -0.029 0.000 0.899 -235 L HN 0.502 nan 8.230 nan 0.000 0.433 -234 D N -0.720 119.650 120.400 -0.050 0.000 2.117 -234 D HA -0.273 4.365 4.640 -0.004 0.000 0.197 -234 D C 2.270 178.606 176.300 0.060 0.000 0.987 -234 D CA 1.521 55.529 54.000 0.013 0.000 0.829 -234 D CB -0.045 40.772 40.800 0.028 0.000 0.961 -234 D HN 0.411 nan 8.370 nan 0.000 0.460 -233 K N 0.517 120.945 120.400 0.047 0.000 2.057 -233 K HA -0.196 4.122 4.320 -0.004 0.000 0.207 -233 K C 2.108 178.733 176.600 0.043 0.000 1.049 -233 K CA 1.378 57.709 56.287 0.074 0.000 0.931 -233 K CB -0.130 32.416 32.500 0.076 0.000 0.714 -233 K HN 0.131 nan 8.250 nan 0.000 0.440 -232 E N 0.379 120.593 120.200 0.024 0.000 2.110 -232 E HA -0.160 4.187 4.350 -0.004 0.000 0.193 -232 E C 1.968 178.580 176.600 0.021 0.000 0.988 -232 E CA 1.061 57.472 56.400 0.018 0.000 0.804 -232 E CB 0.028 29.733 29.700 0.009 0.000 0.745 -232 E HN 0.383 nan 8.360 nan 0.000 0.458 -231 L N 0.376 121.615 121.223 0.026 0.000 2.179 -231 L HA -0.108 4.230 4.340 -0.004 0.000 0.208 -231 L C 2.463 179.352 176.870 0.033 0.000 1.096 -231 L CA 0.498 55.356 54.840 0.029 0.000 0.779 -231 L CB -0.209 41.870 42.059 0.035 0.000 0.922 -231 L HN -0.043 nan 8.230 nan 0.000 0.443 -230 K N 0.661 121.087 120.400 0.043 0.000 2.063 -230 K HA -0.132 4.185 4.320 -0.004 0.000 0.208 -230 K C 2.106 178.722 176.600 0.027 0.000 1.048 -230 K CA 1.532 57.843 56.287 0.040 0.000 0.928 -230 K CB -0.629 31.902 32.500 0.052 0.000 0.713 -230 K HN 0.260 nan 8.250 nan 0.000 0.442 -229 A N 1.380 124.215 122.820 0.025 0.000 2.186 -229 A HA -0.171 4.146 4.320 -0.004 0.000 0.219 -229 A C 1.495 179.086 177.584 0.013 0.000 1.159 -229 A CA 1.510 53.557 52.037 0.017 0.000 0.680 -229 A CB -0.248 18.762 19.000 0.016 0.000 0.787 -229 A HN 0.336 nan 8.150 nan 0.000 0.467 -228 K N -1.871 118.538 120.400 0.014 0.000 2.387 -228 K HA 0.333 4.651 4.320 -0.004 0.000 0.203 -228 K C 0.810 177.414 176.600 0.007 0.000 1.030 -228 K CA 0.338 56.630 56.287 0.009 0.000 1.099 -228 K CB 0.431 32.936 32.500 0.008 0.000 0.863 -228 K HN 0.536 nan 8.250 nan 0.000 0.529 -227 G N 2.236 111.042 108.800 0.010 0.000 2.147 -227 G HA2 -0.247 3.711 3.960 -0.004 0.000 0.244 -227 G HA3 -0.247 3.711 3.960 -0.004 0.000 0.244 -227 G C -0.107 174.799 174.900 0.009 0.000 1.005 -227 G CA 0.409 45.514 45.100 0.008 0.000 0.713 -227 G HN 0.114 nan 8.290 nan 0.000 0.515 -226 K N -0.476 119.934 120.400 0.016 0.000 2.279 -226 K HA 0.864 5.181 4.320 -0.004 0.000 0.238 -226 K C 0.259 176.880 176.600 0.036 0.000 1.084 -226 K CA -0.007 56.292 56.287 0.020 0.000 0.885 -226 K CB 1.668 34.177 32.500 0.015 0.000 1.319 -226 K HN 0.730 nan 8.250 nan 0.000 0.494 -225 S N -1.792 113.936 115.700 0.047 0.000 2.661 -225 S HA 0.637 5.104 4.470 -0.004 0.000 0.285 -225 S C 0.498 175.146 174.600 0.079 0.000 1.138 -225 S CA -0.171 58.069 58.200 0.067 0.000 0.855 -225 S CB 1.681 64.925 63.200 0.072 0.000 1.136 -225 S HN 0.544 nan 8.310 nan 0.000 0.484 -224 A N 0.286 123.157 122.820 0.085 0.000 1.855 -224 A HA 0.501 4.819 4.320 -0.004 0.000 0.213 -224 A C 0.534 178.182 177.584 0.106 0.000 1.195 -224 A CA 1.004 53.087 52.037 0.077 0.000 0.610 -224 A CB -0.620 18.408 19.000 0.047 0.000 0.837 -224 A HN 1.163 nan 8.150 nan 0.000 0.444 -223 L N -0.959 120.343 121.223 0.131 0.000 2.505 -223 L HA 0.696 5.034 4.340 -0.004 0.000 0.266 -223 L C -1.268 175.726 176.870 0.205 0.000 0.954 -223 L CA -0.055 54.890 54.840 0.175 0.000 0.852 -223 L CB 1.731 43.902 42.059 0.187 0.000 1.282 -223 L HN 0.327 nan 8.230 nan 0.000 0.403 -222 M N 6.145 125.875 119.600 0.217 0.000 2.267 -222 M HA 0.626 5.103 4.480 -0.004 0.000 0.289 -222 M C -1.524 174.901 176.300 0.208 0.000 1.043 -222 M CA -0.437 54.948 55.300 0.142 0.000 0.928 -222 M CB 2.015 34.657 32.600 0.071 0.000 1.613 -222 M HN 0.579 nan 8.290 nan 0.000 0.450 -221 F N 0.264 120.203 119.950 -0.019 0.000 2.711 -221 F HA 0.598 5.123 4.527 -0.003 0.000 0.313 -221 F C -0.741 174.973 175.800 -0.142 0.000 1.141 -221 F CA -1.395 56.546 58.000 -0.099 0.000 0.941 -221 F CB 0.788 39.791 39.000 0.005 0.000 1.349 -221 F HN 0.450 nan 8.300 nan 0.000 0.464 -220 N N 1.549 120.101 118.700 -0.247 0.000 2.434 -220 N HA 0.126 4.863 4.740 -0.004 0.000 0.268 -220 N C 0.077 175.496 175.510 -0.152 0.000 1.256 -220 N CA 0.134 52.997 53.050 -0.312 0.000 0.914 -220 N CB 0.467 38.603 38.487 -0.585 0.000 1.088 -220 N HN 0.812 nan 8.380 nan 0.000 0.478 -219 L N 2.205 123.319 121.223 -0.182 0.000 2.607 -219 L HA 0.110 4.448 4.340 -0.004 0.000 0.228 -219 L C 1.243 178.128 176.870 0.025 0.000 1.123 -219 L CA 0.152 54.930 54.840 -0.103 0.000 0.890 -219 L CB 0.067 42.009 42.059 -0.195 0.000 1.103 -219 L HN 0.508 nan 8.230 nan 0.000 0.468 -218 Q N -0.276 119.553 119.800 0.047 0.000 2.392 -218 Q HA 0.171 4.508 4.340 -0.004 0.000 0.203 -218 Q C 0.012 176.091 176.000 0.132 0.000 0.917 -218 Q CA 0.500 56.342 55.803 0.064 0.000 0.939 -218 Q CB 0.793 29.554 28.738 0.039 0.000 1.063 -218 Q HN 0.292 nan 8.270 nan 0.000 0.516 -217 E N 1.229 121.583 120.200 0.257 0.000 2.191 -217 E HA 0.196 4.544 4.350 -0.004 0.000 0.263 -217 E C -1.888 174.963 176.600 0.418 0.000 0.881 -217 E CA -1.970 54.627 56.400 0.329 0.000 0.757 -217 E CB 2.213 32.184 29.700 0.450 0.000 1.147 -217 E HN -0.143 nan 8.360 nan 0.000 0.414 -216 P HA -0.192 nan 4.420 nan 0.000 0.218 -216 P C 1.420 179.039 177.300 0.533 0.000 1.149 -216 P CA 0.916 64.266 63.100 0.417 0.000 0.817 -216 P CB 0.147 32.110 31.700 0.438 0.000 0.785 -215 Y N 0.503 120.895 120.300 0.153 0.000 2.133 -215 Y HA -0.270 4.278 4.550 -0.004 0.000 0.279 -215 Y C 2.039 178.012 175.900 0.122 0.000 1.209 -215 Y CA 1.845 59.962 58.100 0.028 0.000 1.152 -215 Y CB -1.219 37.012 38.460 -0.381 0.000 0.961 -215 Y HN -0.190 nan 8.280 nan 0.000 0.512 -214 F N -1.003 119.184 119.950 0.395 0.000 2.367 -214 F HA -0.094 4.431 4.527 -0.004 0.000 0.298 -214 F C 2.456 178.432 175.800 0.293 0.000 1.094 -214 F CA 1.515 59.717 58.000 0.337 0.000 1.409 -214 F CB -0.643 38.673 39.000 0.525 0.000 1.064 -214 F HN 0.099 nan 8.300 nan 0.000 0.528 -213 T N -3.747 111.117 114.554 0.517 0.000 3.037 -213 T HA -0.142 4.205 4.350 -0.004 0.000 0.252 -213 T C 1.879 176.706 174.700 0.212 0.000 1.073 -213 T CA -0.049 62.272 62.100 0.367 0.000 1.091 -213 T CB -0.751 68.329 68.868 0.353 0.000 0.935 -213 T HN 0.490 nan 8.240 nan 0.000 0.488 -212 W N 3.046 124.426 121.300 0.133 0.000 2.321 -212 W HA -0.101 4.556 4.660 -0.004 0.000 0.306 -212 W C -1.694 174.799 176.519 -0.044 0.000 1.217 -212 W CA 1.278 58.677 57.345 0.089 0.000 1.257 -212 W CB -1.091 28.517 29.460 0.247 0.000 1.145 -212 W HN 0.291 nan 8.180 nan 0.000 0.509 -211 P HA -0.214 nan 4.420 nan 0.000 0.216 -211 P C 1.763 178.885 177.300 -0.296 0.000 1.150 -211 P CA 1.604 64.605 63.100 -0.166 0.000 0.837 -211 P CB -0.472 31.213 31.700 -0.025 0.000 0.786 -210 L N -1.054 119.947 121.223 -0.370 0.000 2.131 -210 L HA -0.003 4.335 4.340 -0.004 0.000 0.206 -210 L C 2.113 178.629 176.870 -0.590 0.000 1.087 -210 L CA 1.548 56.004 54.840 -0.641 0.000 0.767 -210 L CB -1.171 40.277 42.059 -1.018 0.000 0.917 -210 L HN -0.140 nan 8.230 nan 0.000 0.441 -209 I N -0.187 120.057 120.570 -0.545 0.000 2.315 -209 I HA -0.222 3.945 4.170 -0.004 0.000 0.248 -209 I C 2.429 178.148 176.117 -0.663 0.000 1.117 -209 I CA 1.108 62.075 61.300 -0.555 0.000 1.404 -209 I CB -0.472 37.210 38.000 -0.531 0.000 1.071 -209 I HN 0.357 nan 8.210 nan 0.000 0.419 -208 A N 0.487 122.772 122.820 -0.893 0.000 2.016 -208 A HA 0.074 4.392 4.320 -0.004 0.000 0.217 -208 A C 2.534 179.924 177.584 -0.322 0.000 1.162 -208 A CA 1.089 52.700 52.037 -0.710 0.000 0.662 -208 A CB -0.525 17.953 19.000 -0.870 0.000 0.812 -208 A HN 0.372 nan 8.150 nan 0.000 0.450 -207 A N 0.335 122.999 122.820 -0.259 0.000 1.896 -207 A HA -0.287 4.030 4.320 -0.004 0.000 0.220 -207 A C 1.709 179.276 177.584 -0.029 0.000 1.206 -207 A CA 2.360 54.344 52.037 -0.088 0.000 0.647 -207 A CB -0.568 18.430 19.000 -0.002 0.000 0.828 -207 A HN 0.464 nan 8.150 nan 0.000 0.455 -206 D N -3.097 117.309 120.400 0.010 0.000 2.424 -206 D HA 0.381 5.019 4.640 -0.004 0.000 0.220 -206 D C 0.784 177.073 176.300 -0.019 0.000 1.150 -206 D CA 1.015 55.011 54.000 -0.008 0.000 0.831 -206 D CB 0.067 40.868 40.800 0.003 0.000 0.981 -206 D HN 0.546 nan 8.370 nan 0.000 0.500 -205 G N -1.166 107.617 108.800 -0.029 0.000 2.672 -205 G HA2 -0.057 3.901 3.960 -0.004 0.000 0.197 -205 G HA3 -0.057 3.901 3.960 -0.004 0.000 0.197 -205 G C 0.732 175.660 174.900 0.046 0.000 0.995 -205 G CA -0.251 44.864 45.100 0.025 0.000 0.754 -205 G HN 0.498 nan 8.290 nan 0.000 0.505 -204 G N 0.482 109.219 108.800 -0.106 0.000 2.441 -204 G HA2 0.636 4.594 3.960 -0.004 0.000 0.243 -204 G HA3 0.636 4.594 3.960 -0.004 0.000 0.243 -204 G C -0.262 174.591 174.900 -0.078 0.000 1.281 -204 G CA 0.616 45.591 45.100 -0.208 0.000 0.854 -204 G HN 1.429 nan 8.290 nan 0.000 0.560 -203 Y N -1.278 119.060 120.300 0.064 0.000 2.625 -203 Y HA 0.746 5.294 4.550 -0.004 0.000 0.338 -203 Y C 0.609 176.688 175.900 0.298 0.000 1.123 -203 Y CA -0.858 57.387 58.100 0.241 0.000 1.046 -203 Y CB 0.745 39.283 38.460 0.130 0.000 1.299 -203 Y HN 0.678 nan 8.280 nan 0.000 0.464 -202 A N 1.262 124.256 122.820 0.289 0.000 2.028 -202 A HA 0.361 4.679 4.320 -0.004 0.000 0.213 -202 A C -0.452 176.863 177.584 -0.447 0.000 1.486 -202 A CA 0.794 52.515 52.037 -0.526 0.000 0.597 -202 A CB -0.562 17.825 19.000 -1.022 0.000 1.089 -202 A HN 0.554 nan 8.150 nan 0.000 0.489 -201 F N -0.089 119.964 119.950 0.171 0.000 2.458 -201 F HA 0.471 4.996 4.527 -0.004 0.000 0.336 -201 F C 0.261 176.315 175.800 0.424 0.000 1.114 -201 F CA -0.785 57.389 58.000 0.290 0.000 0.987 -201 F CB 1.514 40.604 39.000 0.150 0.000 1.130 -201 F HN 0.188 nan 8.300 nan 0.000 0.458 -200 K N 2.667 123.354 120.400 0.477 0.000 2.451 -200 K HA 0.048 4.365 4.320 -0.004 0.000 0.280 -200 K C -1.392 175.330 176.600 0.202 0.000 1.020 -200 K CA -0.008 56.361 56.287 0.137 0.000 1.008 -200 K CB 0.347 32.848 32.500 0.002 0.000 0.917 -200 K HN 0.686 nan 8.250 nan 0.000 0.478 -199 Y N 4.663 124.938 120.300 -0.042 0.000 2.335 -199 Y HA 0.216 4.763 4.550 -0.004 0.000 0.339 -199 Y C -0.714 175.086 175.900 -0.165 0.000 0.987 -199 Y CA 0.009 57.981 58.100 -0.215 0.000 1.140 -199 Y CB 0.741 38.996 38.460 -0.341 0.000 1.173 -199 Y HN 0.735 nan 8.280 nan 0.000 0.486 -198 E N 2.464 122.333 120.200 -0.553 0.000 2.432 -198 E HA 0.234 4.582 4.350 -0.004 0.000 0.279 -198 E C -0.841 175.492 176.600 -0.444 0.000 1.099 -198 E CA -1.129 55.039 56.400 -0.388 0.000 0.859 -198 E CB 0.659 30.263 29.700 -0.160 0.000 1.402 -198 E HN 0.472 nan 8.360 nan 0.000 0.451 -197 N N -0.491 118.051 118.700 -0.264 0.000 2.681 -197 N HA -0.235 4.502 4.740 -0.004 0.000 0.250 -197 N C 0.857 176.210 175.510 -0.261 0.000 1.133 -197 N CA 2.083 55.011 53.050 -0.204 0.000 0.732 -197 N CB -1.516 36.877 38.487 -0.157 0.000 1.107 -197 N HN 1.134 nan 8.380 nan 0.000 0.559 -196 G N -1.714 106.850 108.800 -0.393 0.000 2.184 -196 G HA2 -0.375 3.583 3.960 -0.004 0.000 0.264 -196 G HA3 -0.375 3.583 3.960 -0.004 0.000 0.264 -196 G C 0.070 174.618 174.900 -0.586 0.000 0.975 -196 G CA 1.068 45.958 45.100 -0.350 0.000 0.642 -196 G HN 0.589 nan 8.290 nan 0.000 0.536 -195 K N -1.068 118.837 120.400 -0.825 0.000 2.443 -195 K HA 0.588 4.905 4.320 -0.004 0.000 0.251 -195 K C -0.915 175.290 176.600 -0.658 0.000 0.972 -195 K CA -0.997 54.959 56.287 -0.550 0.000 0.833 -195 K CB 1.417 33.785 32.500 -0.219 0.000 1.317 -195 K HN 0.046 nan 8.250 nan 0.000 0.441 -194 Y N 0.745 120.987 120.300 -0.096 0.000 2.316 -194 Y HA 0.065 4.613 4.550 -0.004 0.000 0.331 -194 Y C 0.279 176.170 175.900 -0.014 0.000 1.083 -194 Y CA -0.193 57.926 58.100 0.031 0.000 1.206 -194 Y CB 0.729 39.244 38.460 0.092 0.000 1.195 -194 Y HN 0.431 nan 8.280 nan 0.000 0.497 -193 D N 4.147 124.661 120.400 0.191 0.000 2.396 -193 D HA 0.132 4.769 4.640 -0.004 0.000 0.225 -193 D C 0.791 177.227 176.300 0.227 0.000 1.121 -193 D CA -0.328 53.758 54.000 0.144 0.000 0.853 -193 D CB 0.511 41.378 40.800 0.112 0.000 1.043 -193 D HN 0.590 nan 8.370 nan 0.000 0.500 -192 I N 0.541 121.181 120.570 0.115 0.000 3.291 -192 I HA 0.013 4.181 4.170 -0.004 0.000 0.279 -192 I C 1.157 177.411 176.117 0.229 0.000 1.294 -192 I CA 0.278 61.642 61.300 0.108 0.000 1.428 -192 I CB -0.008 37.940 38.000 -0.086 0.000 1.070 -192 I HN 0.069 nan 8.210 nan 0.000 0.478 -191 K N 0.655 121.164 120.400 0.181 0.000 2.426 -191 K HA 0.067 4.385 4.320 -0.004 0.000 0.193 -191 K C 0.034 176.747 176.600 0.189 0.000 1.028 -191 K CA 0.191 56.575 56.287 0.162 0.000 1.047 -191 K CB 0.128 32.692 32.500 0.108 0.000 0.821 -191 K HN 0.195 nan 8.250 nan 0.000 0.513 -190 D N 1.461 122.013 120.400 0.253 0.000 2.462 -190 D HA 0.132 4.770 4.640 -0.004 0.000 0.249 -190 D C -1.329 175.181 176.300 0.350 0.000 1.117 -190 D CA -0.335 53.828 54.000 0.273 0.000 0.900 -190 D CB 0.842 41.794 40.800 0.254 0.000 1.039 -190 D HN -0.270 nan 8.370 nan 0.000 0.516 -189 V N 2.026 122.059 119.914 0.198 0.000 2.435 -189 V HA 0.655 4.772 4.120 -0.004 0.000 0.290 -189 V C 1.177 177.161 176.094 -0.182 0.000 1.030 -189 V CA -0.775 61.529 62.300 0.007 0.000 0.881 -189 V CB 1.950 33.761 31.823 -0.019 0.000 0.983 -189 V HN 0.569 nan 8.190 nan 0.000 0.445 -188 G N 2.411 110.848 108.800 -0.604 0.000 4.644 -188 G HA2 0.311 4.269 3.960 -0.004 0.000 0.307 -188 G HA3 0.311 4.269 3.960 -0.004 0.000 0.307 -188 G C 0.334 174.914 174.900 -0.533 0.000 1.331 -188 G CA 0.056 44.476 45.100 -1.132 0.000 1.059 -188 G HN 0.555 nan 8.290 nan 0.000 0.590 -187 V N -0.562 119.231 119.914 -0.203 0.000 3.644 -187 V HA 0.161 4.279 4.120 -0.004 0.000 0.267 -187 V C 1.120 177.196 176.094 -0.030 0.000 1.277 -187 V CA 1.160 63.454 62.300 -0.009 0.000 1.096 -187 V CB 0.857 32.749 31.823 0.116 0.000 0.828 -187 V HN 0.386 nan 8.190 nan 0.000 0.446 -186 D N -0.099 120.263 120.400 -0.065 0.000 2.535 -186 D HA 0.116 4.754 4.640 -0.004 0.000 0.229 -186 D C 0.530 176.804 176.300 -0.043 0.000 1.238 -186 D CA -0.164 53.815 54.000 -0.035 0.000 0.824 -186 D CB 0.044 40.837 40.800 -0.012 0.000 1.045 -186 D HN 0.629 nan 8.370 nan 0.000 0.500 -185 N N -0.242 118.411 118.700 -0.078 0.000 2.327 -185 N HA 0.217 4.955 4.740 -0.004 0.000 0.257 -185 N C 1.343 176.837 175.510 -0.027 0.000 1.281 -185 N CA 0.171 53.193 53.050 -0.047 0.000 0.942 -185 N CB 0.270 38.727 38.487 -0.050 0.000 1.199 -185 N HN -0.121 nan 8.380 nan 0.000 0.532 -184 A N -0.596 122.221 122.820 -0.006 0.000 1.933 -184 A HA 0.003 4.321 4.320 -0.004 0.000 0.218 -184 A C 2.022 179.608 177.584 0.003 0.000 1.175 -184 A CA 1.874 53.912 52.037 0.002 0.000 0.628 -184 A CB -1.629 17.375 19.000 0.007 0.000 0.814 -184 A HN 0.815 nan 8.150 nan 0.000 0.444 -183 G N -0.747 108.049 108.800 -0.007 0.000 2.408 -183 G HA2 0.070 4.027 3.960 -0.004 0.000 0.217 -183 G HA3 0.070 4.027 3.960 -0.004 0.000 0.217 -183 G C 1.706 176.583 174.900 -0.038 0.000 1.150 -183 G CA 1.288 46.383 45.100 -0.008 0.000 0.776 -183 G HN 0.754 nan 8.290 nan 0.000 0.542 -182 A N 0.817 123.587 122.820 -0.082 0.000 1.872 -182 A HA 0.084 4.401 4.320 -0.004 0.000 0.214 -182 A C 2.259 179.803 177.584 -0.067 0.000 1.187 -182 A CA 1.822 53.786 52.037 -0.122 0.000 0.614 -182 A CB -0.353 18.575 19.000 -0.120 0.000 0.826 -182 A HN 0.328 nan 8.150 nan 0.000 0.442 -181 K N -0.270 120.113 120.400 -0.028 0.000 2.074 -181 K HA -0.178 4.139 4.320 -0.004 0.000 0.209 -181 K C 2.240 178.858 176.600 0.028 0.000 1.048 -181 K CA 1.380 57.666 56.287 -0.001 0.000 0.926 -181 K CB -0.311 32.195 32.500 0.009 0.000 0.713 -181 K HN 0.469 nan 8.250 nan 0.000 0.444 -180 A N 0.766 123.629 122.820 0.071 0.000 1.897 -180 A HA -0.025 4.292 4.320 -0.004 0.000 0.215 -180 A C 2.386 180.080 177.584 0.183 0.000 1.181 -180 A CA 1.682 53.831 52.037 0.187 0.000 0.620 -180 A CB -1.007 18.136 19.000 0.237 0.000 0.821 -180 A HN 0.425 nan 8.150 nan 0.000 0.443 -179 G N -0.017 108.787 108.800 0.007 0.000 2.459 -179 G HA2 -0.178 3.780 3.960 -0.004 0.000 0.217 -179 G HA3 -0.178 3.780 3.960 -0.004 0.000 0.217 -179 G C 1.478 176.187 174.900 -0.319 0.000 1.183 -179 G CA 1.256 46.090 45.100 -0.443 0.000 0.776 -179 G HN 0.431 nan 8.290 nan 0.000 0.552 -178 L N 1.048 122.174 121.223 -0.162 0.000 2.083 -178 L HA -0.009 4.328 4.340 -0.004 0.000 0.209 -178 L C 2.954 179.795 176.870 -0.048 0.000 1.083 -178 L CA 2.425 57.209 54.840 -0.093 0.000 0.752 -178 L CB -0.998 41.032 42.059 -0.047 0.000 0.899 -178 L HN 0.211 nan 8.230 nan 0.000 0.433 -177 T N -0.748 113.802 114.554 -0.007 0.000 2.674 -177 T HA -0.239 4.109 4.350 -0.004 0.000 0.265 -177 T C 1.661 176.382 174.700 0.035 0.000 1.039 -177 T CA 1.821 63.937 62.100 0.027 0.000 1.150 -177 T CB -0.602 68.307 68.868 0.069 0.000 0.864 -177 T HN 0.344 nan 8.240 nan 0.000 0.427 -176 F N 1.411 121.312 119.950 -0.082 0.000 2.087 -176 F HA -0.162 4.363 4.527 -0.003 0.000 0.299 -176 F C 2.131 177.870 175.800 -0.102 0.000 1.100 -176 F CA 1.233 59.174 58.000 -0.098 0.000 1.226 -176 F CB -0.521 38.291 39.000 -0.313 0.000 0.983 -176 F HN 0.058 nan 8.300 nan 0.000 0.479 -175 L N -0.654 120.550 121.223 -0.031 0.000 2.012 -175 L HA -0.223 4.114 4.340 -0.004 0.000 0.210 -175 L C 2.245 179.081 176.870 -0.056 0.000 1.073 -175 L CA 1.444 56.267 54.840 -0.030 0.000 0.748 -175 L CB -0.522 41.521 42.059 -0.027 0.000 0.891 -175 L HN 0.027 nan 8.230 nan 0.000 0.431 -174 V N -0.074 119.805 119.914 -0.058 0.000 2.343 -174 V HA -0.298 3.820 4.120 -0.004 0.000 0.247 -174 V C 2.114 178.161 176.094 -0.077 0.000 1.051 -174 V CA 2.007 64.275 62.300 -0.054 0.000 1.036 -174 V CB -0.713 31.088 31.823 -0.038 0.000 0.654 -174 V HN 0.504 nan 8.190 nan 0.000 0.451 -173 D N 0.017 120.348 120.400 -0.114 0.000 2.144 -173 D HA -0.117 4.521 4.640 -0.004 0.000 0.199 -173 D C 2.137 178.353 176.300 -0.139 0.000 0.984 -173 D CA 1.031 54.950 54.000 -0.135 0.000 0.834 -173 D CB -0.275 40.427 40.800 -0.164 0.000 0.955 -173 D HN 0.328 nan 8.370 nan 0.000 0.465 -172 L N 0.284 121.397 121.223 -0.184 0.000 2.079 -172 L HA -0.174 4.163 4.340 -0.004 0.000 0.210 -172 L C 2.399 179.260 176.870 -0.014 0.000 1.081 -172 L CA 0.834 55.653 54.840 -0.035 0.000 0.752 -172 L CB -0.303 41.759 42.059 0.006 0.000 0.896 -172 L HN 0.067 nan 8.230 nan 0.000 0.433 -171 I N -0.450 120.090 120.570 -0.049 0.000 2.286 -171 I HA -0.267 3.901 4.170 -0.004 0.000 0.245 -171 I C 2.473 178.538 176.117 -0.088 0.000 1.104 -171 I CA 1.247 62.510 61.300 -0.061 0.000 1.397 -171 I CB -0.244 37.722 38.000 -0.056 0.000 1.072 -171 I HN 0.165 nan 8.210 nan 0.000 0.417 -170 K N 0.871 121.221 120.400 -0.084 0.000 2.152 -170 K HA -0.150 4.167 4.320 -0.004 0.000 0.206 -170 K C 1.107 177.635 176.600 -0.120 0.000 1.048 -170 K CA 1.582 57.818 56.287 -0.084 0.000 0.933 -170 K CB -0.337 32.125 32.500 -0.065 0.000 0.721 -170 K HN 0.442 nan 8.250 nan 0.000 0.447 -169 N N 0.588 119.187 118.700 -0.169 0.000 2.314 -169 N HA 0.055 4.792 4.740 -0.004 0.000 0.200 -169 N C -0.816 174.357 175.510 -0.562 0.000 1.135 -169 N CA -0.064 52.808 53.050 -0.295 0.000 0.835 -169 N CB 0.388 38.755 38.487 -0.200 0.000 0.989 -169 N HN 0.005 nan 8.380 nan 0.000 0.478 -168 K N 0.026 120.222 120.400 -0.340 0.000 3.071 -168 K HA -0.224 4.094 4.320 -0.004 0.000 0.265 -168 K C -0.339 176.085 176.600 -0.294 0.000 1.060 -168 K CA 0.397 56.526 56.287 -0.263 0.000 0.767 -168 K CB -1.406 30.979 32.500 -0.192 0.000 1.241 -168 K HN 0.534 nan 8.250 nan 0.000 0.486 -167 H N -0.995 118.068 119.070 -0.012 0.000 2.547 -167 H HA 0.230 4.784 4.556 -0.004 0.000 0.272 -167 H C 0.891 176.229 175.328 0.016 0.000 0.971 -167 H CA 0.641 56.695 56.048 0.010 0.000 1.245 -167 H CB 0.325 30.099 29.762 0.020 0.000 1.440 -167 H HN 0.250 nan 8.280 nan 0.000 0.540 -166 M N 0.263 119.902 119.600 0.064 0.000 2.593 -166 M HA 0.233 4.711 4.480 -0.004 0.000 0.290 -166 M C -0.543 175.734 176.300 -0.038 0.000 1.244 -166 M CA -0.727 54.581 55.300 0.013 0.000 0.857 -166 M CB 3.107 35.710 32.600 0.004 0.000 1.738 -166 M HN -0.118 nan 8.290 nan 0.000 0.461 -165 N N 0.530 119.196 118.700 -0.057 0.000 2.408 -165 N HA 0.437 5.175 4.740 -0.004 0.000 0.280 -165 N C 0.260 175.720 175.510 -0.083 0.000 1.002 -165 N CA 0.116 53.129 53.050 -0.063 0.000 0.907 -165 N CB 2.057 40.514 38.487 -0.051 0.000 1.161 -165 N HN 0.834 nan 8.380 nan 0.000 0.488 -164 A N 3.252 126.029 122.820 -0.072 0.000 1.986 -164 A HA -0.168 4.150 4.320 -0.004 0.000 0.220 -164 A C 1.188 178.729 177.584 -0.073 0.000 1.171 -164 A CA 1.511 53.504 52.037 -0.073 0.000 0.640 -164 A CB -0.126 18.840 19.000 -0.057 0.000 0.811 -164 A HN 0.725 nan 8.150 nan 0.000 0.451 -163 D N -0.351 120.011 120.400 -0.062 0.000 2.355 -163 D HA 0.039 4.677 4.640 -0.004 0.000 0.218 -163 D C 0.249 176.514 176.300 -0.058 0.000 1.004 -163 D CA 0.460 54.429 54.000 -0.052 0.000 0.880 -163 D CB -0.434 40.343 40.800 -0.040 0.000 0.911 -163 D HN 0.263 nan 8.370 nan 0.000 0.528 -162 T N 2.294 116.798 114.554 -0.084 0.000 2.908 -162 T HA 0.151 4.498 4.350 -0.004 0.000 0.301 -162 T C 0.212 174.852 174.700 -0.101 0.000 1.019 -162 T CA 0.083 62.124 62.100 -0.099 0.000 1.152 -162 T CB 0.639 69.421 68.868 -0.144 0.000 0.966 -162 T HN 0.230 nan 8.240 nan 0.000 0.540 -161 D N 1.121 121.481 120.400 -0.068 0.000 2.687 -161 D HA 0.172 4.810 4.640 -0.004 0.000 0.264 -161 D C 0.884 177.163 176.300 -0.034 0.000 1.091 -161 D CA -1.015 52.965 54.000 -0.034 0.000 1.123 -161 D CB 0.115 40.925 40.800 0.017 0.000 1.407 -161 D HN 0.331 nan 8.370 nan 0.000 0.591 -160 Y N 0.275 120.519 120.300 -0.093 0.000 2.114 -160 Y HA -0.258 4.290 4.550 -0.004 0.000 0.282 -160 Y C 2.548 178.435 175.900 -0.022 0.000 1.165 -160 Y CA 3.320 61.366 58.100 -0.089 0.000 1.148 -160 Y CB -0.164 38.279 38.460 -0.027 0.000 0.972 -160 Y HN 0.454 nan 8.280 nan 0.000 0.504 -159 S N -0.673 115.118 115.700 0.153 0.000 2.414 -159 S HA -0.108 4.359 4.470 -0.004 0.000 0.227 -159 S C 1.952 176.563 174.600 0.019 0.000 1.022 -159 S CA 1.072 59.338 58.200 0.110 0.000 0.958 -159 S CB -0.758 62.529 63.200 0.146 0.000 0.797 -159 S HN 0.497 nan 8.310 nan 0.000 0.493 -158 I N 2.199 122.770 120.570 0.001 0.000 2.179 -158 I HA -0.113 4.055 4.170 -0.004 0.000 0.242 -158 I C 3.083 179.180 176.117 -0.032 0.000 1.088 -158 I CA 1.232 62.525 61.300 -0.013 0.000 1.357 -158 I CB -0.603 37.386 38.000 -0.018 0.000 1.051 -158 I HN 0.457 nan 8.210 nan 0.000 0.409 -157 A N 0.228 123.000 122.820 -0.079 0.000 1.877 -157 A HA -0.279 4.039 4.320 -0.004 0.000 0.216 -157 A C 2.309 179.857 177.584 -0.059 0.000 1.186 -157 A CA 2.025 54.015 52.037 -0.079 0.000 0.620 -157 A CB -0.730 18.184 19.000 -0.143 0.000 0.822 -157 A HN 0.506 nan 8.150 nan 0.000 0.443 -156 E N -0.096 120.012 120.200 -0.155 0.000 2.038 -156 E HA -0.163 4.185 4.350 -0.004 0.000 0.195 -156 E C 2.133 178.750 176.600 0.028 0.000 1.000 -156 E CA 1.307 57.651 56.400 -0.094 0.000 0.803 -156 E CB -0.315 29.290 29.700 -0.158 0.000 0.750 -156 E HN 0.508 nan 8.360 nan 0.000 0.448 -155 A N 1.090 123.921 122.820 0.018 0.000 1.902 -155 A HA -0.111 4.207 4.320 -0.004 0.000 0.217 -155 A C 2.402 180.005 177.584 0.031 0.000 1.181 -155 A CA 1.930 53.985 52.037 0.029 0.000 0.623 -155 A CB -0.824 18.191 19.000 0.024 0.000 0.818 -155 A HN 0.445 nan 8.150 nan 0.000 0.443 -154 A N -1.650 121.192 122.820 0.038 0.000 1.969 -154 A HA -0.001 4.317 4.320 -0.004 0.000 0.218 -154 A C 2.039 179.662 177.584 0.066 0.000 1.169 -154 A CA 1.470 53.532 52.037 0.041 0.000 0.635 -154 A CB -0.600 18.426 19.000 0.043 0.000 0.810 -154 A HN 0.638 nan 8.150 nan 0.000 0.445 -153 F N 0.920 120.849 119.950 -0.034 0.000 2.187 -153 F HA -0.067 4.458 4.527 -0.004 0.000 0.295 -153 F C 1.967 177.743 175.800 -0.039 0.000 1.091 -153 F CA 1.778 59.758 58.000 -0.032 0.000 1.308 -153 F CB -0.204 38.769 39.000 -0.044 0.000 1.030 -153 F HN 0.278 nan 8.300 nan 0.000 0.487 -152 N N -0.177 118.543 118.700 0.034 0.000 2.459 -152 N HA -0.102 4.635 4.740 -0.004 0.000 0.181 -152 N C 1.107 176.557 175.510 -0.099 0.000 1.046 -152 N CA 0.426 53.452 53.050 -0.041 0.000 0.904 -152 N CB -0.033 38.476 38.487 0.037 0.000 0.964 -152 N HN 0.286 nan 8.380 nan 0.000 0.444 -151 K N 0.147 120.496 120.400 -0.086 0.000 2.404 -151 K HA 0.092 4.410 4.320 -0.004 0.000 0.194 -151 K C 0.740 177.274 176.600 -0.110 0.000 1.023 -151 K CA 0.115 56.357 56.287 -0.075 0.000 1.094 -151 K CB 0.745 33.223 32.500 -0.037 0.000 0.841 -151 K HN 0.192 nan 8.250 nan 0.000 0.523 -150 G N 1.992 110.675 108.800 -0.195 0.000 2.143 -150 G HA2 -0.287 3.670 3.960 -0.004 0.000 0.248 -150 G HA3 -0.287 3.670 3.960 -0.004 0.000 0.248 -150 G C 0.482 175.306 174.900 -0.127 0.000 0.991 -150 G CA 0.504 45.482 45.100 -0.204 0.000 0.689 -150 G HN 0.441 nan 8.290 nan 0.000 0.522 -149 E N -0.997 119.150 120.200 -0.089 0.000 2.276 -149 E HA 0.159 4.507 4.350 -0.004 0.000 0.193 -149 E C 1.055 177.654 176.600 -0.001 0.000 0.983 -149 E CA 1.003 57.383 56.400 -0.032 0.000 0.861 -149 E CB 0.437 30.130 29.700 -0.012 0.000 0.817 -149 E HN 0.308 nan 8.360 nan 0.000 0.485 -148 T N -1.264 113.299 114.554 0.016 0.000 2.861 -148 T HA 0.473 4.820 4.350 -0.004 0.000 0.287 -148 T C 0.277 175.056 174.700 0.131 0.000 1.003 -148 T CA -0.279 61.877 62.100 0.093 0.000 0.977 -148 T CB 1.638 70.597 68.868 0.151 0.000 0.996 -148 T HN 0.010 nan 8.240 nan 0.000 0.448 -147 A N 4.683 127.592 122.820 0.148 0.000 2.119 -147 A HA 0.428 4.746 4.320 -0.004 0.000 0.216 -147 A C 0.755 178.570 177.584 0.386 0.000 1.152 -147 A CA 0.711 52.860 52.037 0.186 0.000 0.708 -147 A CB -0.173 18.903 19.000 0.126 0.000 0.805 -147 A HN 0.744 nan 8.150 nan 0.000 0.460 -146 M N -2.121 117.698 119.600 0.364 0.000 2.520 -146 M HA 0.457 4.935 4.480 -0.004 0.000 0.283 -146 M C -0.636 175.740 176.300 0.126 0.000 1.237 -146 M CA -0.234 55.222 55.300 0.260 0.000 0.885 -146 M CB 2.547 35.208 32.600 0.102 0.000 1.727 -146 M HN 0.068 nan 8.290 nan 0.000 0.468 -145 T N 1.042 115.506 114.554 -0.149 0.000 2.787 -145 T HA 0.808 5.155 4.350 -0.004 0.000 0.297 -145 T C -1.987 172.624 174.700 -0.148 0.000 1.221 -145 T CA -0.539 61.473 62.100 -0.146 0.000 1.006 -145 T CB 1.512 70.184 68.868 -0.326 0.000 1.328 -145 T HN 0.586 nan 8.240 nan 0.000 0.509 -144 I N 3.194 123.736 120.570 -0.046 0.000 2.447 -144 I HA 0.567 4.735 4.170 -0.004 0.000 0.287 -144 I C -0.418 175.790 176.117 0.152 0.000 1.023 -144 I CA -0.747 60.539 61.300 -0.023 0.000 1.083 -144 I CB 1.821 39.722 38.000 -0.166 0.000 1.245 -144 I HN 0.506 nan 8.210 nan 0.000 0.434 -143 N N 2.785 121.544 118.700 0.097 0.000 3.227 -143 N HA 0.464 5.202 4.740 -0.004 0.000 0.241 -143 N C -0.943 174.437 175.510 -0.217 0.000 1.480 -143 N CA -0.336 52.785 53.050 0.119 0.000 0.886 -143 N CB 2.295 40.776 38.487 -0.009 0.000 1.406 -143 N HN 0.665 nan 8.380 nan 0.000 0.514 -142 G N 0.075 108.388 108.800 -0.811 0.000 2.557 -142 G HA2 0.464 4.421 3.960 -0.004 0.000 0.302 -142 G HA3 0.464 4.421 3.960 -0.004 0.000 0.302 -142 G C -1.875 172.112 174.900 -1.521 0.000 1.311 -142 G CA -1.007 43.290 45.100 -1.339 0.000 1.030 -142 G HN 0.351 nan 8.290 nan 0.000 0.509 -141 P HA -0.098 nan 4.420 nan 0.000 0.218 -141 P C 1.366 177.843 177.300 -1.372 0.000 1.148 -141 P CA 1.510 63.337 63.100 -2.123 0.000 0.822 -141 P CB -0.023 30.850 31.700 -1.378 0.000 0.784 -140 W N -0.097 120.894 121.300 -0.514 0.000 2.421 -140 W HA 0.058 4.715 4.660 -0.004 0.000 0.270 -140 W C 1.843 178.272 176.519 -0.149 0.000 1.233 -140 W CA 0.886 58.074 57.345 -0.263 0.000 1.226 -140 W CB -1.896 27.469 29.460 -0.158 0.000 1.121 -140 W HN -0.135 nan 8.180 nan 0.000 0.579 -139 A N 0.089 122.651 122.820 -0.429 0.000 2.119 -139 A HA 0.019 4.336 4.320 -0.004 0.000 0.216 -139 A C 1.557 179.157 177.584 0.027 0.000 1.152 -139 A CA 0.833 52.816 52.037 -0.090 0.000 0.708 -139 A CB -1.148 17.761 19.000 -0.151 0.000 0.805 -139 A HN 0.410 nan 8.150 nan 0.000 0.460 -138 W N 0.106 121.336 121.300 -0.117 0.000 2.374 -138 W HA -0.086 4.572 4.660 -0.004 0.000 0.288 -138 W C 2.678 179.158 176.519 -0.066 0.000 1.218 -138 W CA 0.545 57.818 57.345 -0.120 0.000 1.245 -138 W CB -1.502 27.967 29.460 0.016 0.000 1.126 -138 W HN 0.399 nan 8.180 nan 0.000 0.545 -137 S N 0.777 116.603 115.700 0.211 0.000 2.359 -137 S HA -0.207 4.261 4.470 -0.004 0.000 0.223 -137 S C 1.737 176.391 174.600 0.090 0.000 1.039 -137 S CA 1.861 60.145 58.200 0.141 0.000 1.042 -137 S CB -0.355 62.905 63.200 0.101 0.000 0.915 -137 S HN 0.162 nan 8.310 nan 0.000 0.439 -136 N N 1.081 119.826 118.700 0.076 0.000 2.381 -136 N HA 0.079 4.816 4.740 -0.004 0.000 0.182 -136 N C 1.604 177.130 175.510 0.027 0.000 1.025 -136 N CA 0.864 53.948 53.050 0.057 0.000 0.888 -136 N CB -0.394 38.138 38.487 0.076 0.000 0.965 -136 N HN 0.518 nan 8.380 nan 0.000 0.438 -135 I N 0.637 121.195 120.570 -0.020 0.000 2.353 -135 I HA -0.170 3.998 4.170 -0.004 0.000 0.248 -135 I C 1.481 177.571 176.117 -0.045 0.000 1.119 -135 I CA 0.819 62.050 61.300 -0.113 0.000 1.417 -135 I CB -0.158 37.578 38.000 -0.440 0.000 1.078 -135 I HN -0.074 nan 8.210 nan 0.000 0.421 -134 D N 0.883 121.306 120.400 0.038 0.000 2.104 -134 D HA -0.159 4.478 4.640 -0.004 0.000 0.194 -134 D C 2.217 178.562 176.300 0.075 0.000 0.994 -134 D CA 1.780 55.856 54.000 0.125 0.000 0.830 -134 D CB -0.475 40.412 40.800 0.145 0.000 0.959 -134 D HN 0.253 nan 8.370 nan 0.000 0.452 -133 T N 1.002 115.588 114.554 0.053 0.000 2.684 -133 T HA -0.115 4.232 4.350 -0.004 0.000 0.267 -133 T C 1.342 176.057 174.700 0.026 0.000 1.036 -133 T CA 1.249 63.371 62.100 0.038 0.000 1.148 -133 T CB -0.254 68.635 68.868 0.035 0.000 0.863 -133 T HN 0.273 nan 8.240 nan 0.000 0.436 -132 S N 1.020 116.730 115.700 0.017 0.000 2.596 -132 S HA 0.157 4.624 4.470 -0.004 0.000 0.260 -132 S C 1.267 175.868 174.600 0.002 0.000 1.336 -132 S CA -0.736 57.463 58.200 -0.001 0.000 0.993 -132 S CB 0.722 63.911 63.200 -0.019 0.000 0.923 -132 S HN -0.010 nan 8.310 nan 0.000 0.567 -131 K N 0.607 120.997 120.400 -0.016 0.000 2.057 -131 K HA 0.058 4.375 4.320 -0.004 0.000 0.207 -131 K C 0.582 177.180 176.600 -0.004 0.000 1.049 -131 K CA 0.500 56.779 56.287 -0.013 0.000 0.931 -131 K CB -1.334 31.148 32.500 -0.029 0.000 0.714 -131 K HN 0.563 nan 8.250 nan 0.000 0.440 -130 V N 3.663 123.556 119.914 -0.035 0.000 2.644 -130 V HA -0.151 3.966 4.120 -0.004 0.000 0.303 -130 V C 0.675 176.812 176.094 0.071 0.000 1.058 -130 V CA -0.080 62.188 62.300 -0.053 0.000 1.228 -130 V CB -0.442 31.256 31.823 -0.208 0.000 0.861 -130 V HN 0.281 nan 8.190 nan 0.000 0.484 -129 N N 5.701 124.405 118.700 0.007 0.000 2.421 -129 N HA 0.157 4.895 4.740 -0.004 0.000 0.260 -129 N C -0.743 174.752 175.510 -0.026 0.000 1.173 -129 N CA -0.240 52.801 53.050 -0.015 0.000 0.960 -129 N CB -0.088 38.365 38.487 -0.057 0.000 1.273 -129 N HN 0.607 nan 8.380 nan 0.000 0.497 -128 Y N 0.562 120.766 120.300 -0.159 0.000 2.487 -128 Y HA 0.864 5.412 4.550 -0.004 0.000 0.337 -128 Y C 0.344 176.016 175.900 -0.380 0.000 1.076 -128 Y CA -1.537 56.435 58.100 -0.214 0.000 1.115 -128 Y CB 0.822 39.284 38.460 0.003 0.000 1.235 -128 Y HN 0.252 nan 8.280 nan 0.000 0.468 -127 G N 1.015 109.395 108.800 -0.702 0.000 2.511 -127 G HA2 0.610 4.567 3.960 -0.004 0.000 0.318 -127 G HA3 0.610 4.567 3.960 -0.004 0.000 0.318 -127 G C -1.890 172.847 174.900 -0.272 0.000 1.210 -127 G CA -1.168 43.528 45.100 -0.673 0.000 0.969 -127 G HN 0.696 nan 8.290 nan 0.000 0.484 -126 V N 0.030 119.869 119.914 -0.125 0.000 2.540 -126 V HA 0.783 4.901 4.120 -0.004 0.000 0.302 -126 V C 0.179 176.319 176.094 0.077 0.000 1.035 -126 V CA -0.530 61.771 62.300 0.001 0.000 0.873 -126 V CB 1.370 33.101 31.823 -0.153 0.000 0.992 -126 V HN 0.930 nan 8.190 nan 0.000 0.428 -125 T N 2.246 116.870 114.554 0.118 0.000 2.787 -125 T HA 0.495 4.843 4.350 -0.004 0.000 0.297 -125 T C -0.937 173.768 174.700 0.007 0.000 1.221 -125 T CA -0.329 61.806 62.100 0.059 0.000 1.006 -125 T CB 2.003 70.897 68.868 0.043 0.000 1.328 -125 T HN 0.634 nan 8.240 nan 0.000 0.509 -124 V N 3.607 123.507 119.914 -0.024 0.000 2.694 -124 V HA 0.315 4.433 4.120 -0.004 0.000 0.306 -124 V C 0.311 176.367 176.094 -0.062 0.000 1.054 -124 V CA 0.122 62.402 62.300 -0.033 0.000 1.161 -124 V CB -0.223 31.577 31.823 -0.039 0.000 0.916 -124 V HN 0.745 nan 8.190 nan 0.000 0.490 -123 L N 8.260 129.456 121.223 -0.045 0.000 2.482 -123 L HA 0.262 4.600 4.340 -0.004 0.000 0.273 -123 L C -1.940 174.873 176.870 -0.095 0.000 1.228 -123 L CA -1.187 53.612 54.840 -0.070 0.000 0.827 -123 L CB 0.124 42.188 42.059 0.007 0.000 1.099 -123 L HN 0.575 nan 8.230 nan 0.000 0.494 -122 P HA 0.137 nan 4.420 nan 0.000 0.277 -122 P C -0.729 176.605 177.300 0.057 0.000 1.240 -122 P CA -0.603 62.349 63.100 -0.246 0.000 0.798 -122 P CB 0.662 31.941 31.700 -0.702 0.000 0.979 -121 T N -0.926 113.679 114.554 0.084 0.000 2.868 -121 T HA 0.448 4.795 4.350 -0.004 0.000 0.292 -121 T C -0.647 174.260 174.700 0.345 0.000 1.028 -121 T CA -0.242 61.959 62.100 0.168 0.000 1.059 -121 T CB 0.083 68.981 68.868 0.050 0.000 0.991 -121 T HN 0.192 nan 8.240 nan 0.000 0.531 -120 F N 1.743 121.711 119.950 0.030 0.000 2.507 -120 F HA 0.475 5.000 4.527 -0.004 0.000 0.328 -120 F C 0.481 176.208 175.800 -0.122 0.000 1.136 -120 F CA -1.534 56.396 58.000 -0.117 0.000 0.930 -120 F CB 1.111 39.928 39.000 -0.306 0.000 1.166 -120 F HN 0.907 nan 8.300 nan 0.000 0.436 -119 K N 4.366 124.411 120.400 -0.592 0.000 3.035 -119 K HA -0.203 4.115 4.320 -0.004 0.000 0.262 -119 K C 0.962 177.417 176.600 -0.242 0.000 1.024 -119 K CA 0.844 56.834 56.287 -0.496 0.000 0.748 -119 K CB -1.682 30.404 32.500 -0.690 0.000 1.247 -119 K HN 1.386 nan 8.250 nan 0.000 0.482 -118 G N -0.846 107.869 108.800 -0.141 0.000 2.234 -118 G HA2 -0.330 3.628 3.960 -0.004 0.000 0.260 -118 G HA3 -0.330 3.628 3.960 -0.004 0.000 0.260 -118 G C -0.074 174.792 174.900 -0.056 0.000 0.987 -118 G CA 0.516 45.567 45.100 -0.082 0.000 0.625 -118 G HN 0.298 nan 8.290 nan 0.000 0.532 -117 Q N 0.991 120.756 119.800 -0.059 0.000 2.235 -117 Q HA 0.441 4.778 4.340 -0.004 0.000 0.250 -117 Q C -2.507 173.501 176.000 0.014 0.000 0.909 -117 Q CA -1.983 53.802 55.803 -0.030 0.000 0.910 -117 Q CB 1.349 30.060 28.738 -0.044 0.000 1.223 -117 Q HN 0.199 nan 8.270 nan 0.000 0.432 -116 P HA -0.004 nan 4.420 nan 0.000 0.266 -116 P C -0.417 176.900 177.300 0.029 0.000 1.195 -116 P CA 0.345 63.457 63.100 0.020 0.000 0.768 -116 P CB 0.564 32.264 31.700 -0.001 0.000 0.838 -115 S N 2.418 118.157 115.700 0.065 0.000 2.562 -115 S HA 0.109 4.576 4.470 -0.004 0.000 0.281 -115 S C 0.298 174.892 174.600 -0.010 0.000 1.333 -115 S CA -0.031 58.194 58.200 0.043 0.000 1.052 -115 S CB -0.040 63.249 63.200 0.149 0.000 0.884 -115 S HN 0.277 nan 8.310 nan 0.000 0.506 -114 K N 3.183 123.540 120.400 -0.072 0.000 2.679 -114 K HA 0.275 4.593 4.320 -0.004 0.000 0.188 -114 K C -2.695 173.890 176.600 -0.025 0.000 1.055 -114 K CA -1.652 54.599 56.287 -0.060 0.000 1.006 -114 K CB 1.129 33.569 32.500 -0.100 0.000 1.317 -114 K HN 0.385 nan 8.250 nan 0.000 0.584 -113 P HA 0.041 nan 4.420 nan 0.000 0.272 -113 P C -0.546 176.893 177.300 0.232 0.000 1.223 -113 P CA -0.336 62.823 63.100 0.099 0.000 0.784 -113 P CB 0.537 32.252 31.700 0.025 0.000 0.923 -112 F N 1.395 121.511 119.950 0.277 0.000 2.445 -112 F HA 0.098 4.623 4.527 -0.004 0.000 0.359 -112 F C 0.496 176.451 175.800 0.258 0.000 1.101 -112 F CA -0.590 57.586 58.000 0.293 0.000 1.177 -112 F CB 0.323 39.530 39.000 0.346 0.000 1.110 -112 F HN -0.034 nan 8.300 nan 0.000 0.522 -111 V N 4.692 124.906 119.914 0.500 0.000 2.461 -111 V HA 0.487 4.605 4.120 -0.004 0.000 0.275 -111 V C 0.645 176.978 176.094 0.399 0.000 1.047 -111 V CA -0.539 61.981 62.300 0.366 0.000 0.955 -111 V CB 0.794 32.778 31.823 0.269 0.000 0.988 -111 V HN 0.851 nan 8.190 nan 0.000 0.471 -110 G N 3.456 112.466 108.800 0.350 0.000 2.400 -110 G HA2 0.572 4.529 3.960 -0.004 0.000 0.333 -110 G HA3 0.572 4.529 3.960 -0.004 0.000 0.333 -110 G C -0.980 174.069 174.900 0.249 0.000 1.143 -110 G CA -0.468 44.806 45.100 0.289 0.000 0.914 -110 G HN 0.539 nan 8.290 nan 0.000 0.480 -109 V N 3.246 123.362 119.914 0.337 0.000 2.311 -109 V HA 0.195 4.313 4.120 -0.004 0.000 0.275 -109 V C 0.212 176.314 176.094 0.014 0.000 1.022 -109 V CA -0.747 61.616 62.300 0.105 0.000 0.830 -109 V CB 0.975 32.758 31.823 -0.067 0.000 1.012 -109 V HN 0.710 nan 8.190 nan 0.000 0.452 -108 L N 5.861 127.068 121.223 -0.028 0.000 2.513 -108 L HA 0.312 4.649 4.340 -0.004 0.000 0.272 -108 L C 0.333 177.169 176.870 -0.057 0.000 1.187 -108 L CA 1.424 56.229 54.840 -0.059 0.000 0.895 -108 L CB 0.522 42.584 42.059 0.004 0.000 1.147 -108 L HN 0.723 nan 8.230 nan 0.000 0.483 -107 S N 3.237 118.847 115.700 -0.149 0.000 2.569 -107 S HA 0.888 5.356 4.470 -0.004 0.000 0.280 -107 S C -0.895 173.569 174.600 -0.227 0.000 1.111 -107 S CA -0.353 57.715 58.200 -0.220 0.000 0.887 -107 S CB 1.853 64.781 63.200 -0.454 0.000 1.095 -107 S HN 0.920 nan 8.310 nan 0.000 0.476 -106 A N 1.250 123.930 122.820 -0.232 0.000 2.291 -106 A HA 0.800 5.118 4.320 -0.004 0.000 0.311 -106 A C 0.180 177.798 177.584 0.057 0.000 1.224 -106 A CA -0.570 51.171 52.037 -0.492 0.000 0.821 -106 A CB 0.527 18.954 19.000 -0.954 0.000 1.172 -106 A HN 0.909 nan 8.150 nan 0.000 0.494 -105 G N 1.106 109.968 108.800 0.102 0.000 2.417 -105 G HA2 0.594 4.552 3.960 -0.004 0.000 0.334 -105 G HA3 0.594 4.552 3.960 -0.004 0.000 0.334 -105 G C -0.611 174.256 174.900 -0.055 0.000 1.150 -105 G CA -0.655 44.480 45.100 0.058 0.000 0.923 -105 G HN 0.680 nan 8.290 nan 0.000 0.485 -104 I N 1.677 122.249 120.570 0.003 0.000 2.336 -104 I HA 0.130 4.298 4.170 -0.004 0.000 0.292 -104 I C 0.060 176.167 176.117 -0.015 0.000 0.991 -104 I CA -0.958 60.342 61.300 -0.001 0.000 1.227 -104 I CB 1.541 39.575 38.000 0.057 0.000 1.366 -104 I HN 0.349 nan 8.210 nan 0.000 0.466 -103 N N 4.594 123.285 118.700 -0.015 0.000 2.411 -103 N HA 0.003 4.740 4.740 -0.004 0.000 0.261 -103 N C 0.875 176.381 175.510 -0.007 0.000 1.248 -103 N CA 0.327 53.393 53.050 0.026 0.000 0.885 -103 N CB 1.494 39.976 38.487 -0.009 0.000 1.062 -103 N HN 0.798 nan 8.380 nan 0.000 0.471 -102 A N 3.936 126.751 122.820 -0.008 0.000 2.024 -102 A HA -0.074 4.243 4.320 -0.004 0.000 0.220 -102 A C 1.728 179.293 177.584 -0.031 0.000 1.164 -102 A CA 1.801 53.828 52.037 -0.015 0.000 0.643 -102 A CB -0.373 18.618 19.000 -0.016 0.000 0.806 -102 A HN 0.748 nan 8.150 nan 0.000 0.451 -101 A N -0.718 122.068 122.820 -0.056 0.000 2.307 -101 A HA 0.401 4.719 4.320 -0.004 0.000 0.218 -101 A C 1.184 178.735 177.584 -0.056 0.000 1.228 -101 A CA 0.612 52.612 52.037 -0.062 0.000 0.857 -101 A CB -0.437 18.509 19.000 -0.091 0.000 0.897 -101 A HN 0.428 nan 8.150 nan 0.000 0.495 -100 S N 1.273 116.944 115.700 -0.048 0.000 2.528 -100 S HA 0.323 4.790 4.470 -0.004 0.000 0.277 -100 S C -1.336 173.248 174.600 -0.027 0.000 1.297 -100 S CA -1.053 57.120 58.200 -0.045 0.000 1.052 -100 S CB 0.827 64.001 63.200 -0.043 0.000 0.917 -100 S HN 0.293 nan 8.310 nan 0.000 0.492 -99 P HA 0.145 nan 4.420 nan 0.000 0.249 -99 P C -0.286 177.012 177.300 -0.003 0.000 1.229 -99 P CA 0.212 63.304 63.100 -0.013 0.000 0.788 -99 P CB -0.001 31.690 31.700 -0.015 0.000 1.072 -98 N N 0.275 118.971 118.700 -0.006 0.000 2.401 -98 N HA 0.119 4.857 4.740 -0.004 0.000 0.264 -98 N C 0.957 176.475 175.510 0.014 0.000 1.238 -98 N CA -0.247 52.808 53.050 0.007 0.000 0.889 -98 N CB 0.500 38.986 38.487 -0.002 0.000 1.196 -98 N HN 0.176 nan 8.380 nan 0.000 0.511 -97 K N 0.732 121.141 120.400 0.016 0.000 2.160 -97 K HA -0.195 4.123 4.320 -0.004 0.000 0.206 -97 K C 1.653 178.282 176.600 0.047 0.000 1.047 -97 K CA 1.264 57.569 56.287 0.029 0.000 0.930 -97 K CB 0.284 32.802 32.500 0.029 0.000 0.720 -97 K HN 0.067 nan 8.250 nan 0.000 0.450 -96 E N 1.206 121.437 120.200 0.051 0.000 2.076 -96 E HA -0.049 4.298 4.350 -0.004 0.000 0.190 -96 E C 1.766 178.424 176.600 0.097 0.000 0.979 -96 E CA 0.821 57.261 56.400 0.067 0.000 0.807 -96 E CB -0.115 29.620 29.700 0.058 0.000 0.761 -96 E HN 0.180 nan 8.360 nan 0.000 0.454 -95 L N 0.133 121.421 121.223 0.108 0.000 2.012 -95 L HA -0.172 4.165 4.340 -0.004 0.000 0.210 -95 L C 2.547 179.478 176.870 0.101 0.000 1.073 -95 L CA 1.256 56.205 54.840 0.183 0.000 0.748 -95 L CB -0.791 41.374 42.059 0.177 0.000 0.891 -95 L HN 0.192 nan 8.230 nan 0.000 0.431 -94 A N 0.380 123.214 122.820 0.024 0.000 1.873 -94 A HA -0.307 4.010 4.320 -0.004 0.000 0.218 -94 A C 2.425 180.022 177.584 0.022 0.000 1.193 -94 A CA 2.337 54.368 52.037 -0.010 0.000 0.629 -94 A CB -0.643 18.355 19.000 -0.003 0.000 0.826 -94 A HN 0.368 nan 8.150 nan 0.000 0.447 -93 K N -0.406 120.018 120.400 0.040 0.000 2.044 -93 K HA -0.255 4.063 4.320 -0.004 0.000 0.210 -93 K C 2.101 178.683 176.600 -0.029 0.000 1.049 -93 K CA 1.993 58.284 56.287 0.008 0.000 0.927 -93 K CB -0.233 32.309 32.500 0.069 0.000 0.713 -93 K HN 0.646 nan 8.250 nan 0.000 0.443 -92 E N -0.580 119.674 120.200 0.089 0.000 2.110 -92 E HA -0.195 4.153 4.350 -0.004 0.000 0.193 -92 E C 1.869 178.626 176.600 0.261 0.000 0.988 -92 E CA 1.003 57.520 56.400 0.195 0.000 0.804 -92 E CB -0.155 29.743 29.700 0.330 0.000 0.745 -92 E HN 0.406 nan 8.360 nan 0.000 0.458 -91 F N 0.821 120.724 119.950 -0.079 0.000 2.113 -91 F HA -0.117 4.407 4.527 -0.004 0.000 0.297 -91 F C 1.842 177.574 175.800 -0.112 0.000 1.103 -91 F CA 1.221 59.031 58.000 -0.317 0.000 1.248 -91 F CB -0.063 38.437 39.000 -0.833 0.000 0.999 -91 F HN -0.037 nan 8.300 nan 0.000 0.475 -90 L N 0.054 121.182 121.223 -0.159 0.000 2.056 -90 L HA -0.150 4.187 4.340 -0.004 0.000 0.207 -90 L C 2.400 179.050 176.870 -0.367 0.000 1.078 -90 L CA 1.545 56.181 54.840 -0.340 0.000 0.749 -90 L CB -0.736 41.010 42.059 -0.522 0.000 0.901 -90 L HN 0.170 nan 8.230 nan 0.000 0.433 -89 E N -0.005 119.955 120.200 -0.400 0.000 2.046 -89 E HA -0.122 4.225 4.350 -0.004 0.000 0.190 -89 E C 1.523 178.080 176.600 -0.072 0.000 0.982 -89 E CA 0.965 57.131 56.400 -0.391 0.000 0.800 -89 E CB 0.035 29.353 29.700 -0.637 0.000 0.756 -89 E HN 0.467 nan 8.360 nan 0.000 0.449 -88 N N -0.969 117.704 118.700 -0.045 0.000 2.325 -88 N HA 0.019 4.757 4.740 -0.004 0.000 0.182 -88 N C 0.697 176.036 175.510 -0.285 0.000 1.088 -88 N CA 0.632 53.634 53.050 -0.080 0.000 0.879 -88 N CB 0.365 38.836 38.487 -0.027 0.000 0.983 -88 N HN 0.200 nan 8.380 nan 0.000 0.471 -87 Y N -0.424 119.777 120.300 -0.165 0.000 2.697 -87 Y HA 0.229 4.777 4.550 -0.004 0.000 0.268 -87 Y C 1.811 177.523 175.900 -0.313 0.000 1.092 -87 Y CA -0.301 57.663 58.100 -0.226 0.000 1.304 -87 Y CB -0.375 37.929 38.460 -0.260 0.000 1.446 -87 Y HN -0.150 nan 8.280 nan 0.000 0.491 -86 L N 0.401 121.414 121.223 -0.348 0.000 2.023 -86 L HA 0.012 4.350 4.340 -0.004 0.000 0.205 -86 L C 0.891 177.704 176.870 -0.095 0.000 1.073 -86 L CA 1.758 56.446 54.840 -0.255 0.000 0.745 -86 L CB -0.651 41.239 42.059 -0.282 0.000 0.900 -86 L HN 0.145 nan 8.230 nan 0.000 0.435 -85 L N 1.252 122.451 121.223 -0.040 0.000 2.858 -85 L HA 0.125 4.463 4.340 -0.004 0.000 0.243 -85 L C 0.078 176.963 176.870 0.026 0.000 1.416 -85 L CA 0.078 54.951 54.840 0.054 0.000 1.182 -85 L CB -1.493 40.708 42.059 0.237 0.000 1.564 -85 L HN 0.430 nan 8.230 nan 0.000 0.436 -84 T N -6.598 107.927 114.554 -0.050 0.000 2.901 -84 T HA 0.289 4.636 4.350 -0.004 0.000 0.293 -84 T C 0.667 175.274 174.700 -0.155 0.000 1.084 -84 T CA -0.900 61.153 62.100 -0.079 0.000 1.008 -84 T CB 1.962 70.770 68.868 -0.101 0.000 1.170 -84 T HN -0.015 nan 8.240 nan 0.000 0.509 -83 D N 1.028 121.331 120.400 -0.162 0.000 2.126 -83 D HA -0.146 4.492 4.640 -0.004 0.000 0.190 -83 D C 1.765 177.830 176.300 -0.392 0.000 1.001 -83 D CA 1.925 55.736 54.000 -0.315 0.000 0.841 -83 D CB -0.195 40.523 40.800 -0.136 0.000 0.949 -83 D HN 0.812 nan 8.370 nan 0.000 0.446 -82 E N 0.122 120.197 120.200 -0.209 0.000 2.085 -82 E HA -0.085 4.263 4.350 -0.004 0.000 0.194 -82 E C 2.203 178.717 176.600 -0.144 0.000 0.994 -82 E CA 1.338 57.648 56.400 -0.150 0.000 0.801 -82 E CB -0.456 29.196 29.700 -0.079 0.000 0.743 -82 E HN 0.358 nan 8.360 nan 0.000 0.453 -81 G N 0.636 109.353 108.800 -0.137 0.000 2.404 -81 G HA2 -0.175 3.782 3.960 -0.004 0.000 0.214 -81 G HA3 -0.175 3.782 3.960 -0.004 0.000 0.214 -81 G C 1.541 176.375 174.900 -0.110 0.000 1.189 -81 G CA 0.379 45.422 45.100 -0.095 0.000 0.789 -81 G HN 0.089 nan 8.290 nan 0.000 0.533 -80 L N 0.368 121.490 121.223 -0.168 0.000 2.042 -80 L HA -0.113 4.225 4.340 -0.004 0.000 0.210 -80 L C 2.780 179.551 176.870 -0.166 0.000 1.076 -80 L CA 1.698 56.457 54.840 -0.136 0.000 0.749 -80 L CB -0.435 41.562 42.059 -0.104 0.000 0.893 -80 L HN 0.385 nan 8.230 nan 0.000 0.432 -79 E N 0.452 120.407 120.200 -0.408 0.000 2.085 -79 E HA -0.258 4.090 4.350 -0.004 0.000 0.194 -79 E C 2.211 178.790 176.600 -0.036 0.000 0.994 -79 E CA 1.259 57.528 56.400 -0.218 0.000 0.801 -79 E CB 0.017 29.552 29.700 -0.276 0.000 0.743 -79 E HN 0.463 nan 8.360 nan 0.000 0.453 -78 A N 0.479 123.268 122.820 -0.051 0.000 1.902 -78 A HA -0.143 4.175 4.320 -0.004 0.000 0.217 -78 A C 2.383 179.969 177.584 0.004 0.000 1.181 -78 A CA 1.579 53.611 52.037 -0.008 0.000 0.623 -78 A CB -0.588 18.412 19.000 -0.001 0.000 0.818 -78 A HN 0.234 nan 8.150 nan 0.000 0.443 -77 V N 0.360 120.275 119.914 0.001 0.000 2.379 -77 V HA -0.209 3.909 4.120 -0.004 0.000 0.245 -77 V C 2.352 178.463 176.094 0.028 0.000 1.044 -77 V CA 2.153 64.454 62.300 0.002 0.000 1.036 -77 V CB -1.104 30.718 31.823 -0.003 0.000 0.664 -77 V HN 0.699 nan 8.190 nan 0.000 0.453 -76 N N 0.341 119.087 118.700 0.076 0.000 2.149 -76 N HA -0.187 4.551 4.740 -0.004 0.000 0.188 -76 N C 1.793 177.369 175.510 0.110 0.000 1.019 -76 N CA 1.386 54.512 53.050 0.127 0.000 0.857 -76 N CB -0.156 38.480 38.487 0.247 0.000 0.997 -76 N HN 0.398 nan 8.380 nan 0.000 0.426 -75 K N -0.370 120.083 120.400 0.089 0.000 2.211 -75 K HA -0.126 4.191 4.320 -0.004 0.000 0.203 -75 K C 1.123 177.752 176.600 0.047 0.000 1.050 -75 K CA 1.076 57.409 56.287 0.076 0.000 0.945 -75 K CB -0.060 32.475 32.500 0.059 0.000 0.732 -75 K HN 0.307 nan 8.250 nan 0.000 0.451 -74 D N 0.668 121.078 120.400 0.016 0.000 2.113 -74 D HA -0.040 4.598 4.640 -0.004 0.000 0.206 -74 D C -0.045 176.248 176.300 -0.013 0.000 0.979 -74 D CA 1.277 55.261 54.000 -0.027 0.000 0.862 -74 D CB 0.429 41.180 40.800 -0.082 0.000 1.013 -74 D HN -0.179 nan 8.370 nan 0.000 0.455 -73 K N 0.751 121.147 120.400 -0.007 0.000 2.426 -73 K HA 0.423 4.741 4.320 -0.004 0.000 0.254 -73 K C -2.598 174.030 176.600 0.047 0.000 0.936 -73 K CA -2.241 54.065 56.287 0.032 0.000 0.801 -73 K CB 1.762 34.283 32.500 0.035 0.000 1.139 -73 K HN 0.008 nan 8.250 nan 0.000 0.424 -72 P HA 0.063 nan 4.420 nan 0.000 0.264 -72 P C 0.568 177.849 177.300 -0.032 0.000 1.183 -72 P CA 0.085 63.197 63.100 0.019 0.000 0.763 -72 P CB 0.595 32.285 31.700 -0.016 0.000 0.807 -71 L N 1.640 122.878 121.223 0.024 0.000 2.375 -71 L HA 0.211 4.548 4.340 -0.004 0.000 0.215 -71 L C 1.487 178.368 176.870 0.019 0.000 1.108 -71 L CA 1.117 55.986 54.840 0.048 0.000 0.830 -71 L CB -0.605 41.510 42.059 0.093 0.000 0.959 -71 L HN 0.757 nan 8.230 nan 0.000 0.457 -70 G N -0.129 108.650 108.800 -0.035 0.000 2.443 -70 G HA2 -0.117 3.840 3.960 -0.004 0.000 0.209 -70 G HA3 -0.117 3.840 3.960 -0.004 0.000 0.209 -70 G C -0.557 174.378 174.900 0.059 0.000 1.176 -70 G CA -0.334 44.756 45.100 -0.017 0.000 1.074 -70 G HN 0.314 nan 8.290 nan 0.000 0.577 -69 A N 0.563 123.428 122.820 0.075 0.000 2.294 -69 A HA 0.751 5.068 4.320 -0.004 0.000 0.316 -69 A C 0.773 178.415 177.584 0.096 0.000 1.359 -69 A CA 0.489 52.573 52.037 0.079 0.000 0.956 -69 A CB 0.009 19.053 19.000 0.074 0.000 1.155 -69 A HN 2.273 nan 8.150 nan 0.000 0.544 -68 V N 0.719 120.697 119.914 0.107 0.000 2.924 -68 V HA 0.495 4.613 4.120 -0.004 0.000 0.305 -68 V C 1.268 177.449 176.094 0.145 0.000 1.073 -68 V CA 0.298 62.675 62.300 0.128 0.000 1.098 -68 V CB 0.595 32.535 31.823 0.195 0.000 1.000 -68 V HN 1.087 nan 8.190 nan 0.000 0.484 -67 A N 3.304 126.156 122.820 0.054 0.000 2.067 -67 A HA 0.111 4.429 4.320 -0.004 0.000 0.219 -67 A C 1.223 178.767 177.584 -0.067 0.000 1.158 -67 A CA 0.787 52.809 52.037 -0.024 0.000 0.661 -67 A CB -0.519 18.349 19.000 -0.220 0.000 0.801 -67 A HN 1.041 nan 8.150 nan 0.000 0.452 -66 L N 0.950 122.154 121.223 -0.032 0.000 2.385 -66 L HA 0.151 4.488 4.340 -0.004 0.000 0.281 -66 L C 1.134 177.953 176.870 -0.086 0.000 1.106 -66 L CA 0.138 54.924 54.840 -0.091 0.000 0.856 -66 L CB 0.153 42.210 42.059 -0.004 0.000 1.186 -66 L HN 0.252 nan 8.230 nan 0.000 0.453 -65 K N 1.658 121.861 120.400 -0.328 0.000 2.059 -65 K HA -0.234 4.083 4.320 -0.004 0.000 0.212 -65 K C 1.941 178.494 176.600 -0.077 0.000 1.050 -65 K CA 2.013 58.075 56.287 -0.376 0.000 0.927 -65 K CB -0.214 31.994 32.500 -0.487 0.000 0.714 -65 K HN 0.904 nan 8.250 nan 0.000 0.447 -64 S N -0.042 115.635 115.700 -0.037 0.000 2.402 -64 S HA -0.174 4.294 4.470 -0.004 0.000 0.229 -64 S C 1.988 176.666 174.600 0.129 0.000 1.021 -64 S CA 0.824 59.044 58.200 0.035 0.000 0.974 -64 S CB -0.390 62.824 63.200 0.023 0.000 0.800 -64 S HN 0.369 nan 8.310 nan 0.000 0.484 -63 Y N 2.018 122.316 120.300 -0.002 0.000 2.448 -63 Y HA 0.276 4.823 4.550 -0.003 0.000 0.289 -63 Y C 2.291 178.227 175.900 0.060 0.000 1.114 -63 Y CA 0.903 59.018 58.100 0.026 0.000 1.235 -63 Y CB -0.344 38.128 38.460 0.020 0.000 1.045 -63 Y HN 0.303 nan 8.280 nan 0.000 0.554 -62 E N 0.879 121.108 120.200 0.048 0.000 2.204 -62 E HA -0.173 4.174 4.350 -0.004 0.000 0.194 -62 E C 1.714 178.330 176.600 0.027 0.000 0.989 -62 E CA 1.583 58.009 56.400 0.043 0.000 0.824 -62 E CB -0.158 29.709 29.700 0.279 0.000 0.756 -62 E HN 0.589 nan 8.360 nan 0.000 0.477 -61 E N -0.038 120.192 120.200 0.051 0.000 2.204 -61 E HA -0.171 4.177 4.350 -0.004 0.000 0.195 -61 E C 1.787 178.384 176.600 -0.004 0.000 0.990 -61 E CA 1.156 57.581 56.400 0.042 0.000 0.821 -61 E CB 0.016 29.748 29.700 0.054 0.000 0.750 -61 E HN 0.441 nan 8.360 nan 0.000 0.477 -60 E N 0.252 120.421 120.200 -0.053 0.000 2.086 -60 E HA -0.046 4.302 4.350 -0.004 0.000 0.190 -60 E C 2.117 178.644 176.600 -0.122 0.000 0.975 -60 E CA 0.440 56.796 56.400 -0.074 0.000 0.813 -60 E CB 0.102 29.762 29.700 -0.068 0.000 0.768 -60 E HN 0.224 nan 8.360 nan 0.000 0.457 -59 L N 0.831 121.921 121.223 -0.222 0.000 2.156 -59 L HA -0.035 4.303 4.340 -0.004 0.000 0.208 -59 L C 2.548 179.382 176.870 -0.059 0.000 1.095 -59 L CA 0.579 55.315 54.840 -0.172 0.000 0.770 -59 L CB -0.480 41.425 42.059 -0.257 0.000 0.914 -59 L HN 0.118 nan 8.230 nan 0.000 0.439 -58 A N 0.362 123.158 122.820 -0.039 0.000 2.139 -58 A HA -0.218 4.099 4.320 -0.004 0.000 0.221 -58 A C 2.133 179.711 177.584 -0.011 0.000 1.159 -58 A CA 1.568 53.601 52.037 -0.007 0.000 0.662 -58 A CB -0.352 18.653 19.000 0.008 0.000 0.796 -58 A HN 0.355 nan 8.150 nan 0.000 0.463 -57 K N -0.186 120.202 120.400 -0.020 0.000 2.404 -57 K HA 0.034 4.351 4.320 -0.004 0.000 0.194 -57 K C -0.152 176.430 176.600 -0.031 0.000 1.023 -57 K CA 0.004 56.278 56.287 -0.021 0.000 1.094 -57 K CB 0.247 32.736 32.500 -0.019 0.000 0.841 -57 K HN 0.345 nan 8.250 nan 0.000 0.523 -56 D N 1.260 121.643 120.400 -0.029 0.000 2.295 -56 D HA 0.041 4.678 4.640 -0.004 0.000 0.248 -56 D C -1.616 174.644 176.300 -0.066 0.000 1.154 -56 D CA -2.328 51.643 54.000 -0.048 0.000 0.857 -56 D CB 1.498 42.285 40.800 -0.020 0.000 1.117 -56 D HN -0.087 nan 8.370 nan 0.000 0.468 -55 P HA -0.125 nan 4.420 nan 0.000 0.221 -55 P C 0.994 178.216 177.300 -0.131 0.000 1.145 -55 P CA 0.875 63.913 63.100 -0.104 0.000 0.795 -55 P CB 0.461 32.088 31.700 -0.123 0.000 0.775 -54 R N -0.681 119.681 120.500 -0.231 0.000 2.075 -54 R HA -0.008 4.329 4.340 -0.004 0.000 0.232 -54 R C 2.388 178.686 176.300 -0.003 0.000 1.126 -54 R CA 0.928 56.815 56.100 -0.356 0.000 0.963 -54 R CB -0.626 29.032 30.300 -1.070 0.000 0.858 -54 R HN 0.164 nan 8.270 nan 0.000 0.435 -53 I N 1.001 121.632 120.570 0.102 0.000 2.315 -53 I HA -0.146 4.022 4.170 -0.004 0.000 0.248 -53 I C 2.509 178.682 176.117 0.093 0.000 1.117 -53 I CA 1.137 62.555 61.300 0.196 0.000 1.404 -53 I CB -1.353 36.735 38.000 0.146 0.000 1.071 -53 I HN 0.136 nan 8.210 nan 0.000 0.419 -52 A N 1.119 123.957 122.820 0.031 0.000 1.908 -52 A HA -0.173 4.145 4.320 -0.004 0.000 0.218 -52 A C 2.582 180.175 177.584 0.016 0.000 1.181 -52 A CA 2.216 54.258 52.037 0.008 0.000 0.627 -52 A CB -0.771 18.219 19.000 -0.016 0.000 0.818 -52 A HN 0.415 nan 8.150 nan 0.000 0.445 -51 A N -1.138 121.694 122.820 0.020 0.000 1.898 -51 A HA -0.053 4.264 4.320 -0.004 0.000 0.216 -51 A C 2.294 179.918 177.584 0.066 0.000 1.181 -51 A CA 2.221 54.276 52.037 0.030 0.000 0.620 -51 A CB -1.321 17.690 19.000 0.020 0.000 0.819 -51 A HN 0.438 nan 8.150 nan 0.000 0.442 -50 T N 0.251 114.880 114.554 0.125 0.000 2.665 -50 T HA -0.187 4.161 4.350 -0.004 0.000 0.268 -50 T C 1.906 176.652 174.700 0.076 0.000 1.035 -50 T CA 1.814 63.995 62.100 0.135 0.000 1.151 -50 T CB -0.266 68.720 68.868 0.197 0.000 0.862 -50 T HN 0.291 nan 8.240 nan 0.000 0.438 -49 M N 0.821 120.453 119.600 0.053 0.000 2.254 -49 M HA 0.057 4.535 4.480 -0.004 0.000 0.265 -49 M C 2.316 178.613 176.300 -0.005 0.000 1.066 -49 M CA 1.062 56.370 55.300 0.014 0.000 1.123 -49 M CB -1.012 31.582 32.600 -0.009 0.000 1.388 -49 M HN 0.422 nan 8.290 nan 0.000 0.425 -48 E N 0.701 120.901 120.200 0.001 0.000 2.051 -48 E HA -0.211 4.136 4.350 -0.004 0.000 0.192 -48 E C 1.716 178.316 176.600 0.000 0.000 0.991 -48 E CA 1.275 57.670 56.400 -0.008 0.000 0.799 -48 E CB 0.086 29.780 29.700 -0.009 0.000 0.748 -48 E HN 0.418 nan 8.360 nan 0.000 0.449 -47 N N 0.544 119.254 118.700 0.015 0.000 2.120 -47 N HA -0.159 4.579 4.740 -0.004 0.000 0.188 -47 N C 1.772 177.300 175.510 0.030 0.000 1.024 -47 N CA 1.299 54.362 53.050 0.022 0.000 0.852 -47 N CB -0.395 38.111 38.487 0.031 0.000 1.003 -47 N HN 0.290 nan 8.380 nan 0.000 0.424 -46 A N 1.222 124.064 122.820 0.036 0.000 1.883 -46 A HA -0.243 4.075 4.320 -0.004 0.000 0.217 -46 A C 2.242 179.834 177.584 0.013 0.000 1.186 -46 A CA 1.931 53.994 52.037 0.043 0.000 0.624 -46 A CB -0.783 18.241 19.000 0.039 0.000 0.822 -46 A HN 0.378 nan 8.150 nan 0.000 0.444 -45 Q N -0.008 119.780 119.800 -0.019 0.000 2.124 -45 Q HA -0.149 4.188 4.340 -0.004 0.000 0.202 -45 Q C 1.734 177.722 176.000 -0.021 0.000 0.977 -45 Q CA 2.233 58.011 55.803 -0.042 0.000 0.850 -45 Q CB -0.256 28.448 28.738 -0.056 0.000 0.901 -45 Q HN 0.651 nan 8.270 nan 0.000 0.429 -44 K N -0.382 120.013 120.400 -0.007 0.000 2.366 -44 K HA 0.126 4.444 4.320 -0.004 0.000 0.198 -44 K C 0.993 177.598 176.600 0.009 0.000 1.044 -44 K CA 0.525 56.810 56.287 -0.003 0.000 0.973 -44 K CB 0.173 32.670 32.500 -0.004 0.000 0.767 -44 K HN 0.315 nan 8.250 nan 0.000 0.475 -43 G N 0.689 109.507 108.800 0.031 0.000 2.630 -43 G HA2 0.234 4.192 3.960 -0.004 0.000 0.223 -43 G HA3 0.234 4.192 3.960 -0.004 0.000 0.223 -43 G C -0.726 174.231 174.900 0.094 0.000 1.434 -43 G CA -0.446 44.692 45.100 0.062 0.000 1.057 -43 G HN 0.020 nan 8.290 nan 0.000 0.570 -42 E N -0.689 119.624 120.200 0.189 0.000 2.331 -42 E HA 0.239 4.587 4.350 -0.004 0.000 0.275 -42 E C -0.752 176.076 176.600 0.380 0.000 0.895 -42 E CA -0.811 55.739 56.400 0.250 0.000 0.753 -42 E CB 2.563 32.452 29.700 0.316 0.000 1.216 -42 E HN 0.122 nan 8.360 nan 0.000 0.434 -41 I N 2.771 123.504 120.570 0.271 0.000 2.752 -41 I HA -0.020 4.147 4.170 -0.004 0.000 0.289 -41 I C 0.922 177.249 176.117 0.351 0.000 1.197 -41 I CA 0.595 62.071 61.300 0.294 0.000 1.432 -41 I CB -0.002 38.103 38.000 0.174 0.000 1.359 -41 I HN 0.545 nan 8.210 nan 0.000 0.571 -40 M N 7.994 127.771 119.600 0.296 0.000 2.252 -40 M HA 0.126 4.603 4.480 -0.004 0.000 0.333 -40 M C -2.013 174.316 176.300 0.049 0.000 1.111 -40 M CA -1.130 54.082 55.300 -0.146 0.000 1.140 -40 M CB -0.131 32.248 32.600 -0.369 0.000 1.538 -40 M HN 0.287 nan 8.290 nan 0.000 0.448 -39 P HA 0.030 nan 4.420 nan 0.000 0.271 -39 P C -0.397 176.829 177.300 -0.122 0.000 1.244 -39 P CA -0.015 62.910 63.100 -0.292 0.000 0.793 -39 P CB 0.349 31.571 31.700 -0.797 0.000 0.984 -38 N N 0.326 119.021 118.700 -0.008 0.000 2.238 -38 N HA 0.063 4.800 4.740 -0.004 0.000 0.235 -38 N C 0.224 175.729 175.510 -0.007 0.000 1.209 -38 N CA -0.335 52.733 53.050 0.029 0.000 0.879 -38 N CB -0.850 37.755 38.487 0.197 0.000 1.136 -38 N HN 0.379 nan 8.380 nan 0.000 0.517 -37 I N -2.386 118.140 120.570 -0.073 0.000 2.892 -37 I HA 0.270 4.438 4.170 -0.004 0.000 0.287 -37 I C -1.582 174.476 176.117 -0.099 0.000 1.205 -37 I CA -1.525 59.748 61.300 -0.045 0.000 1.409 -37 I CB 0.447 38.332 38.000 -0.192 0.000 1.367 -37 I HN -0.276 nan 8.210 nan 0.000 0.597 -36 P HA -0.081 nan 4.420 nan 0.000 0.226 -36 P C 0.958 178.230 177.300 -0.047 0.000 1.153 -36 P CA 1.091 64.149 63.100 -0.070 0.000 0.777 -36 P CB 0.072 31.756 31.700 -0.026 0.000 0.794 -35 Q N -1.781 117.966 119.800 -0.089 0.000 2.488 -35 Q HA 0.036 4.374 4.340 -0.004 0.000 0.211 -35 Q C 1.825 177.885 176.000 0.101 0.000 0.967 -35 Q CA 0.827 56.608 55.803 -0.037 0.000 0.926 -35 Q CB -0.646 27.963 28.738 -0.214 0.000 0.992 -35 Q HN 0.158 nan 8.270 nan 0.000 0.506 -34 M N -0.594 119.031 119.600 0.041 0.000 2.149 -34 M HA -0.161 4.317 4.480 -0.004 0.000 0.261 -34 M C 2.123 178.573 176.300 0.250 0.000 1.064 -34 M CA 1.367 56.734 55.300 0.112 0.000 1.102 -34 M CB -1.162 31.449 32.600 0.018 0.000 1.369 -34 M HN 0.227 nan 8.290 nan 0.000 0.408 -33 S N 0.215 116.044 115.700 0.215 0.000 2.356 -33 S HA -0.074 4.394 4.470 -0.004 0.000 0.223 -33 S C 1.997 176.747 174.600 0.251 0.000 1.032 -33 S CA 1.505 59.851 58.200 0.243 0.000 1.005 -33 S CB -0.103 63.171 63.200 0.122 0.000 0.867 -33 S HN 0.504 nan 8.310 nan 0.000 0.449 -32 A N 0.419 123.361 122.820 0.203 0.000 1.969 -32 A HA 0.045 4.363 4.320 -0.004 0.000 0.218 -32 A C 1.961 179.696 177.584 0.251 0.000 1.169 -32 A CA 1.472 53.629 52.037 0.200 0.000 0.635 -32 A CB -0.930 18.168 19.000 0.163 0.000 0.810 -32 A HN 0.730 nan 8.150 nan 0.000 0.445 -31 F N -0.953 119.058 119.950 0.102 0.000 2.113 -31 F HA -0.125 4.399 4.527 -0.004 0.000 0.297 -31 F C 2.000 177.772 175.800 -0.047 0.000 1.103 -31 F CA 1.468 59.437 58.000 -0.052 0.000 1.248 -31 F CB -0.589 38.269 39.000 -0.238 0.000 0.999 -31 F HN 0.354 nan 8.300 nan 0.000 0.475 -30 W N -0.870 120.300 121.300 -0.217 0.000 2.338 -30 W HA -0.246 4.412 4.660 -0.004 0.000 0.304 -30 W C 2.475 178.892 176.519 -0.171 0.000 1.212 -30 W CA 1.420 58.579 57.345 -0.309 0.000 1.264 -30 W CB -0.857 28.593 29.460 -0.016 0.000 1.142 -30 W HN 0.201 nan 8.180 nan 0.000 0.512 -29 Y N 0.839 121.206 120.300 0.110 0.000 2.145 -29 Y HA -0.261 4.286 4.550 -0.004 0.000 0.286 -29 Y C 2.365 178.270 175.900 0.009 0.000 1.145 -29 Y CA 2.278 60.417 58.100 0.064 0.000 1.148 -29 Y CB -0.771 37.730 38.460 0.068 0.000 0.981 -29 Y HN -0.087 nan 8.280 nan 0.000 0.507 -28 A N -0.820 122.067 122.820 0.113 0.000 1.902 -28 A HA -0.154 4.164 4.320 -0.004 0.000 0.217 -28 A C 2.262 179.793 177.584 -0.089 0.000 1.181 -28 A CA 2.041 54.095 52.037 0.029 0.000 0.623 -28 A CB -1.251 17.784 19.000 0.059 0.000 0.818 -28 A HN 0.329 nan 8.150 nan 0.000 0.443 -27 V N -0.058 119.741 119.914 -0.191 0.000 2.453 -27 V HA -0.198 3.920 4.120 -0.004 0.000 0.247 -27 V C 2.570 178.649 176.094 -0.024 0.000 1.048 -27 V CA 1.994 64.219 62.300 -0.125 0.000 1.049 -27 V CB -0.857 30.807 31.823 -0.265 0.000 0.672 -27 V HN 0.667 nan 8.190 nan 0.000 0.457 -26 R N 0.329 120.806 120.500 -0.038 0.000 2.083 -26 R HA -0.196 4.141 4.340 -0.004 0.000 0.237 -26 R C 2.302 178.538 176.300 -0.106 0.000 1.137 -26 R CA 2.354 58.428 56.100 -0.043 0.000 0.951 -26 R CB -0.490 29.751 30.300 -0.098 0.000 0.851 -26 R HN 0.547 nan 8.270 nan 0.000 0.434 -25 T N 0.414 114.850 114.554 -0.196 0.000 2.812 -25 T HA -0.022 4.325 4.350 -0.004 0.000 0.264 -25 T C 1.861 176.510 174.700 -0.085 0.000 1.042 -25 T CA 1.141 63.132 62.100 -0.182 0.000 1.140 -25 T CB -0.286 68.436 68.868 -0.243 0.000 0.870 -25 T HN 0.452 nan 8.240 nan 0.000 0.445 -24 A N 1.181 123.969 122.820 -0.054 0.000 1.877 -24 A HA -0.053 4.265 4.320 -0.004 0.000 0.216 -24 A C 2.594 180.174 177.584 -0.007 0.000 1.186 -24 A CA 1.418 53.444 52.037 -0.020 0.000 0.620 -24 A CB -1.084 17.916 19.000 -0.000 0.000 0.822 -24 A HN 0.341 nan 8.150 nan 0.000 0.443 -23 V N 0.095 120.016 119.914 0.011 0.000 2.295 -23 V HA -0.259 3.858 4.120 -0.004 0.000 0.246 -23 V C 2.432 178.528 176.094 0.003 0.000 1.049 -23 V CA 2.036 64.353 62.300 0.029 0.000 1.024 -23 V CB -0.677 31.196 31.823 0.082 0.000 0.648 -23 V HN 0.566 nan 8.190 nan 0.000 0.447 -22 I N 0.481 121.043 120.570 -0.014 0.000 2.226 -22 I HA -0.227 3.940 4.170 -0.004 0.000 0.245 -22 I C 2.361 178.455 176.117 -0.037 0.000 1.100 -22 I CA 1.494 62.776 61.300 -0.031 0.000 1.374 -22 I CB -0.472 37.498 38.000 -0.049 0.000 1.057 -22 I HN 0.354 nan 8.210 nan 0.000 0.413 -21 N N 1.043 119.719 118.700 -0.040 0.000 2.142 -21 N HA -0.115 4.622 4.740 -0.004 0.000 0.186 -21 N C 1.859 177.351 175.510 -0.030 0.000 1.023 -21 N CA 1.583 54.610 53.050 -0.038 0.000 0.852 -21 N CB -0.422 38.041 38.487 -0.039 0.000 0.998 -21 N HN 0.352 nan 8.380 nan 0.000 0.424 -20 A N 0.762 123.568 122.820 -0.023 0.000 1.898 -20 A HA 0.090 4.408 4.320 -0.004 0.000 0.216 -20 A C 2.299 179.867 177.584 -0.025 0.000 1.181 -20 A CA 1.767 53.792 52.037 -0.020 0.000 0.620 -20 A CB -0.816 18.176 19.000 -0.014 0.000 0.819 -20 A HN 0.296 nan 8.150 nan 0.000 0.442 -19 A N 0.177 122.981 122.820 -0.026 0.000 1.972 -19 A HA -0.054 4.263 4.320 -0.004 0.000 0.219 -19 A C 2.387 179.948 177.584 -0.039 0.000 1.169 -19 A CA 2.159 54.175 52.037 -0.034 0.000 0.635 -19 A CB -0.709 18.269 19.000 -0.037 0.000 0.810 -19 A HN 1.005 nan 8.150 nan 0.000 0.446 -18 S N -2.430 113.247 115.700 -0.037 0.000 2.528 -18 S HA 0.379 4.847 4.470 -0.004 0.000 0.219 -18 S C 1.464 176.042 174.600 -0.035 0.000 0.985 -18 S CA 1.115 59.292 58.200 -0.039 0.000 0.914 -18 S CB -0.073 63.103 63.200 -0.040 0.000 0.776 -18 S HN 1.885 nan 8.310 nan 0.000 0.526 -17 G N 1.712 110.492 108.800 -0.033 0.000 2.176 -17 G HA2 -0.327 3.631 3.960 -0.004 0.000 0.253 -17 G HA3 -0.327 3.631 3.960 -0.004 0.000 0.253 -17 G C 0.871 175.755 174.900 -0.027 0.000 0.979 -17 G CA 0.365 45.448 45.100 -0.029 0.000 0.641 -17 G HN 0.507 nan 8.290 nan 0.000 0.530 -16 R N -0.063 120.419 120.500 -0.030 0.000 2.127 -16 R HA 0.023 4.360 4.340 -0.004 0.000 0.238 -16 R C 1.111 177.394 176.300 -0.028 0.000 1.134 -16 R CA 1.757 57.838 56.100 -0.030 0.000 0.975 -16 R CB -0.027 30.252 30.300 -0.036 0.000 0.865 -16 R HN 0.609 nan 8.270 nan 0.000 0.447 -15 Q N -1.000 118.784 119.800 -0.026 0.000 2.451 -15 Q HA 0.196 4.534 4.340 -0.004 0.000 0.281 -15 Q C -0.827 175.162 176.000 -0.017 0.000 1.099 -15 Q CA -0.681 55.109 55.803 -0.021 0.000 0.806 -15 Q CB 2.335 31.060 28.738 -0.021 0.000 1.419 -15 Q HN 0.133 nan 8.270 nan 0.000 0.427 -14 T N -2.523 112.023 114.554 -0.013 0.000 2.813 -14 T HA 0.138 4.486 4.350 -0.004 0.000 0.297 -14 T C 1.351 176.046 174.700 -0.008 0.000 1.036 -14 T CA -0.635 61.459 62.100 -0.010 0.000 1.044 -14 T CB 0.535 69.400 68.868 -0.006 0.000 0.993 -14 T HN 0.324 nan 8.240 nan 0.000 0.535 -13 V N 1.416 121.326 119.914 -0.006 0.000 2.282 -13 V HA -0.192 3.926 4.120 -0.004 0.000 0.249 -13 V C 2.526 178.620 176.094 -0.000 0.000 1.057 -13 V CA 2.309 64.607 62.300 -0.004 0.000 1.032 -13 V CB -0.892 30.931 31.823 -0.001 0.000 0.645 -13 V HN 0.877 nan 8.190 nan 0.000 0.447 -12 D N -0.373 120.028 120.400 0.002 0.000 2.117 -12 D HA -0.163 4.474 4.640 -0.004 0.000 0.197 -12 D C 2.237 178.540 176.300 0.004 0.000 0.987 -12 D CA 1.343 55.346 54.000 0.004 0.000 0.829 -12 D CB -0.198 40.605 40.800 0.005 0.000 0.961 -12 D HN 0.564 nan 8.370 nan 0.000 0.460 -11 E N 0.296 120.497 120.200 0.001 0.000 2.072 -11 E HA -0.075 4.272 4.350 -0.004 0.000 0.191 -11 E C 2.079 178.679 176.600 0.001 0.000 0.985 -11 E CA 1.037 57.438 56.400 0.001 0.000 0.801 -11 E CB -0.021 29.677 29.700 -0.004 0.000 0.750 -11 E HN 0.208 nan 8.360 nan 0.000 0.452 -10 A N 0.716 123.535 122.820 -0.002 0.000 1.897 -10 A HA -0.103 4.214 4.320 -0.004 0.000 0.215 -10 A C 2.126 179.714 177.584 0.006 0.000 1.181 -10 A CA 0.912 52.947 52.037 -0.002 0.000 0.620 -10 A CB -0.469 18.527 19.000 -0.007 0.000 0.821 -10 A HN 0.133 nan 8.150 nan 0.000 0.443 -9 L N -0.878 120.349 121.223 0.007 0.000 2.156 -9 L HA -0.099 4.239 4.340 -0.004 0.000 0.208 -9 L C 2.603 179.482 176.870 0.015 0.000 1.095 -9 L CA 1.228 56.075 54.840 0.012 0.000 0.770 -9 L CB -0.343 41.720 42.059 0.006 0.000 0.914 -9 L HN 0.391 nan 8.230 nan 0.000 0.439 -8 K N 0.283 120.691 120.400 0.014 0.000 2.026 -8 K HA -0.198 4.120 4.320 -0.004 0.000 0.208 -8 K C 1.640 178.257 176.600 0.028 0.000 1.048 -8 K CA 1.678 57.977 56.287 0.020 0.000 0.929 -8 K CB -0.028 32.483 32.500 0.018 0.000 0.713 -8 K HN 0.217 nan 8.250 nan 0.000 0.439 -7 D N 0.410 120.826 120.400 0.026 0.000 2.133 -7 D HA -0.180 4.458 4.640 -0.004 0.000 0.195 -7 D C 1.708 178.037 176.300 0.050 0.000 0.997 -7 D CA 1.376 55.398 54.000 0.037 0.000 0.840 -7 D CB -0.181 40.636 40.800 0.028 0.000 0.947 -7 D HN 0.315 nan 8.370 nan 0.000 0.452 -6 A N 0.630 123.474 122.820 0.038 0.000 1.877 -6 A HA -0.256 4.062 4.320 -0.004 0.000 0.216 -6 A C 2.167 179.784 177.584 0.056 0.000 1.186 -6 A CA 2.001 54.064 52.037 0.043 0.000 0.620 -6 A CB -0.722 18.293 19.000 0.026 0.000 0.822 -6 A HN 0.150 nan 8.150 nan 0.000 0.443 -5 Q N 0.237 120.064 119.800 0.045 0.000 2.077 -5 Q HA -0.171 4.167 4.340 -0.004 0.000 0.206 -5 Q C 1.947 177.986 176.000 0.065 0.000 0.989 -5 Q CA 2.864 58.694 55.803 0.045 0.000 0.853 -5 Q CB -0.744 28.012 28.738 0.031 0.000 0.907 -5 Q HN 0.718 nan 8.270 nan 0.000 0.418 -4 T N -3.188 111.405 114.554 0.065 0.000 3.107 -4 T HA 0.128 4.475 4.350 -0.004 0.000 0.249 -4 T C 0.534 175.288 174.700 0.089 0.000 1.096 -4 T CA 0.449 62.593 62.100 0.073 0.000 1.012 -4 T CB -0.174 68.732 68.868 0.063 0.000 0.977 -4 T HN 0.474 nan 8.240 nan 0.000 0.527 -3 N N 0.435 119.196 118.700 0.101 0.000 2.747 -3 N HA -0.229 4.508 4.740 -0.004 0.000 0.249 -3 N C 0.908 176.497 175.510 0.132 0.000 1.107 -3 N CA 0.771 53.895 53.050 0.124 0.000 0.707 -3 N CB -1.417 37.145 38.487 0.126 0.000 1.054 -3 N HN 0.647 nan 8.380 nan 0.000 0.555 -2 A N -0.453 122.440 122.820 0.122 0.000 1.933 -2 A HA 0.199 4.517 4.320 -0.004 0.000 0.218 -2 A C 2.440 180.136 177.584 0.186 0.000 1.175 -2 A CA 2.168 54.285 52.037 0.133 0.000 0.628 -2 A CB -0.924 18.135 19.000 0.099 0.000 0.814 -2 A HN 0.758 nan 8.150 nan 0.000 0.444 -1 A N 0.016 122.957 122.820 0.202 0.000 1.858 -1 A HA 0.150 4.468 4.320 -0.004 0.000 0.216 -1 A C 2.527 180.349 177.584 0.397 0.000 1.190 -1 A CA 2.155 54.370 52.037 0.296 0.000 0.617 -1 A CB -1.132 18.030 19.000 0.270 0.000 0.827 -1 A HN 1.098 nan 8.150 nan 0.000 0.443 0 A N -0.477 122.536 122.820 0.321 0.000 1.972 0 A HA -0.178 4.139 4.320 -0.004 0.000 0.219 0 A C 1.935 179.546 177.584 0.045 0.000 1.169 0 A CA 1.704 53.751 52.037 0.018 0.000 0.635 0 A CB -0.489 18.487 19.000 -0.040 0.000 0.810 0 A HN 0.660 nan 8.150 nan 0.000 0.446 1 E N -1.615 118.657 120.200 0.120 0.000 2.072 1 E HA -0.119 4.228 4.350 -0.004 0.000 0.190 1 E C 1.738 178.407 176.600 0.114 0.000 0.982 1 E CA 1.012 57.470 56.400 0.097 0.000 0.803 1 E CB -0.218 29.545 29.700 0.105 0.000 0.755 1 E HN 0.721 nan 8.360 nan 0.000 0.453 2 F N 1.464 121.449 119.950 0.058 0.000 2.134 2 F HA -0.168 4.356 4.527 -0.004 0.000 0.299 2 F C 2.197 178.035 175.800 0.064 0.000 1.097 2 F CA 1.418 59.451 58.000 0.056 0.000 1.264 2 F CB -0.103 38.938 39.000 0.069 0.000 1.001 2 F HN -0.061 nan 8.300 nan 0.000 0.479 3 A N 0.172 123.141 122.820 0.249 0.000 1.930 3 A HA -0.028 4.290 4.320 -0.004 0.000 0.217 3 A C 2.317 179.921 177.584 0.032 0.000 1.175 3 A CA 1.506 53.638 52.037 0.159 0.000 0.627 3 A CB -1.417 17.659 19.000 0.128 0.000 0.815 3 A HN 0.472 nan 8.150 nan 0.000 0.443 4 A N -0.669 122.147 122.820 -0.006 0.000 1.968 4 A HA 0.109 4.427 4.320 -0.004 0.000 0.217 4 A C 2.047 179.623 177.584 -0.013 0.000 1.169 4 A CA 1.486 53.525 52.037 0.002 0.000 0.638 4 A CB -0.460 18.531 19.000 -0.015 0.000 0.812 4 A HN 0.605 nan 8.150 nan 0.000 0.446 5 L N -0.365 120.796 121.223 -0.104 0.000 1.988 5 L HA -0.092 4.245 4.340 -0.004 0.000 0.207 5 L C 2.245 178.986 176.870 -0.214 0.000 1.071 5 L CA 2.282 57.012 54.840 -0.183 0.000 0.744 5 L CB -0.905 40.977 42.059 -0.296 0.000 0.893 5 L HN 0.352 nan 8.230 nan 0.000 0.433 6 L N -0.738 120.297 121.223 -0.313 0.000 2.012 6 L HA -0.256 4.082 4.340 -0.004 0.000 0.210 6 L C 2.566 179.396 176.870 -0.067 0.000 1.073 6 L CA 2.347 57.059 54.840 -0.213 0.000 0.748 6 L CB -1.067 40.880 42.059 -0.187 0.000 0.891 6 L HN 0.579 nan 8.230 nan 0.000 0.431 7 H N -0.409 118.616 119.070 -0.076 0.000 2.319 7 H HA -0.155 4.399 4.556 -0.004 0.000 0.299 7 H C 2.329 177.629 175.328 -0.046 0.000 1.092 7 H CA 2.127 58.154 56.048 -0.035 0.000 1.302 7 H CB -0.215 29.534 29.762 -0.022 0.000 1.373 7 H HN 0.614 nan 8.280 nan 0.000 0.497 8 S N -0.005 115.664 115.700 -0.052 0.000 2.423 8 S HA -0.104 4.364 4.470 -0.004 0.000 0.231 8 S C 2.267 176.792 174.600 -0.125 0.000 1.014 8 S CA 1.115 59.261 58.200 -0.090 0.000 0.965 8 S CB -0.400 62.782 63.200 -0.030 0.000 0.785 8 S HN 0.387 nan 8.310 nan 0.000 0.495 9 L N 0.782 121.930 121.223 -0.125 0.000 2.027 9 L HA -0.025 4.312 4.340 -0.004 0.000 0.206 9 L C 2.551 179.343 176.870 -0.130 0.000 1.074 9 L CA 1.134 55.905 54.840 -0.115 0.000 0.745 9 L CB -0.725 41.267 42.059 -0.112 0.000 0.898 9 L HN 0.304 nan 8.230 nan 0.000 0.433 10 L N -0.478 120.645 121.223 -0.166 0.000 2.027 10 L HA -0.192 4.146 4.340 -0.004 0.000 0.206 10 L C 2.539 179.288 176.870 -0.201 0.000 1.074 10 L CA 1.329 56.063 54.840 -0.176 0.000 0.745 10 L CB -0.637 41.315 42.059 -0.179 0.000 0.898 10 L HN 0.284 nan 8.230 nan 0.000 0.433 11 E N 0.424 120.450 120.200 -0.290 0.000 2.058 11 E HA -0.256 4.092 4.350 -0.004 0.000 0.194 11 E C 2.296 178.824 176.600 -0.120 0.000 0.997 11 E CA 1.359 57.630 56.400 -0.215 0.000 0.801 11 E CB -0.191 29.378 29.700 -0.219 0.000 0.746 11 E HN 0.513 nan 8.360 nan 0.000 0.450 12 A N 1.252 124.008 122.820 -0.108 0.000 1.898 12 A HA -0.230 4.088 4.320 -0.004 0.000 0.216 12 A C 1.910 179.455 177.584 -0.065 0.000 1.181 12 A CA 1.788 53.782 52.037 -0.072 0.000 0.620 12 A CB -0.685 18.276 19.000 -0.065 0.000 0.819 12 A HN 0.213 nan 8.150 nan 0.000 0.442 13 N N -1.126 117.529 118.700 -0.076 0.000 2.166 13 N HA -0.168 4.570 4.740 -0.004 0.000 0.186 13 N C 1.645 177.120 175.510 -0.059 0.000 1.019 13 N CA 1.643 54.654 53.050 -0.066 0.000 0.856 13 N CB -0.387 38.055 38.487 -0.074 0.000 0.993 13 N HN 0.469 nan 8.380 nan 0.000 0.426 14 c N -0.784 117.775 118.600 -0.068 0.000 2.467 14 c HA 0.166 4.733 4.570 -0.004 0.000 0.279 14 c C 2.705 176.778 174.090 -0.027 0.000 1.347 14 c CA 0.567 56.865 56.329 -0.051 0.000 1.748 14 c CB -1.343 41.130 42.510 -0.062 0.000 1.977 14 c HN 0.438 nan 8.230 nan 0.000 0.501 15 S N 0.767 116.448 115.700 -0.031 0.000 2.382 15 S HA -0.091 4.377 4.470 -0.004 0.000 0.228 15 S C 1.670 176.262 174.600 -0.014 0.000 1.027 15 S CA 1.314 59.504 58.200 -0.017 0.000 0.991 15 S CB -0.323 62.864 63.200 -0.022 0.000 0.823 15 S HN 0.629 nan 8.310 nan 0.000 0.469 16 L N 1.008 122.217 121.223 -0.024 0.000 2.017 16 L HA -0.174 4.163 4.340 -0.004 0.000 0.208 16 L C 2.794 179.655 176.870 -0.014 0.000 1.073 16 L CA 1.357 56.184 54.840 -0.021 0.000 0.745 16 L CB -0.675 41.367 42.059 -0.029 0.000 0.894 16 L HN 0.336 nan 8.230 nan 0.000 0.432 17 A N -0.329 122.482 122.820 -0.014 0.000 1.940 17 A HA -0.241 4.076 4.320 -0.004 0.000 0.219 17 A C 2.170 179.759 177.584 0.009 0.000 1.176 17 A CA 1.712 53.746 52.037 -0.005 0.000 0.631 17 A CB -0.698 18.298 19.000 -0.008 0.000 0.814 17 A HN 0.341 nan 8.150 nan 0.000 0.446 18 L N -0.196 121.036 121.223 0.015 0.000 2.046 18 L HA -0.070 4.268 4.340 -0.004 0.000 0.208 18 L C 2.682 179.566 176.870 0.023 0.000 1.077 18 L CA 2.183 57.039 54.840 0.027 0.000 0.747 18 L CB -0.948 41.130 42.059 0.033 0.000 0.896 18 L HN 0.352 nan 8.230 nan 0.000 0.432 19 A N -0.700 122.128 122.820 0.013 0.000 1.883 19 A HA -0.257 4.060 4.320 -0.004 0.000 0.217 19 A C 2.142 179.737 177.584 0.017 0.000 1.186 19 A CA 1.964 54.008 52.037 0.012 0.000 0.624 19 A CB -0.676 18.320 19.000 -0.006 0.000 0.822 19 A HN 0.623 nan 8.150 nan 0.000 0.444 20 E N -0.388 119.817 120.200 0.008 0.000 2.031 20 E HA -0.189 4.159 4.350 -0.004 0.000 0.193 20 E C 2.066 178.676 176.600 0.018 0.000 0.994 20 E CA 1.226 57.632 56.400 0.010 0.000 0.800 20 E CB -0.179 29.521 29.700 -0.000 0.000 0.752 20 E HN 0.546 nan 8.360 nan 0.000 0.447 21 E N 0.800 121.004 120.200 0.007 0.000 2.085 21 E HA -0.181 4.167 4.350 -0.004 0.000 0.194 21 E C 2.312 178.913 176.600 0.002 0.000 0.994 21 E CA 0.823 57.214 56.400 -0.015 0.000 0.801 21 E CB -0.275 29.406 29.700 -0.031 0.000 0.743 21 E HN 0.320 nan 8.360 nan 0.000 0.453 22 L N 0.341 121.589 121.223 0.042 0.000 2.017 22 L HA -0.197 4.140 4.340 -0.004 0.000 0.208 22 L C 2.610 179.617 176.870 0.228 0.000 1.073 22 L CA 0.626 55.527 54.840 0.102 0.000 0.745 22 L CB -0.497 41.636 42.059 0.123 0.000 0.894 22 L HN 0.145 nan 8.230 nan 0.000 0.432 23 L N 0.008 121.351 121.223 0.201 0.000 1.990 23 L HA -0.249 4.089 4.340 -0.004 0.000 0.213 23 L C 2.361 179.401 176.870 0.283 0.000 1.072 23 L CA 1.863 56.862 54.840 0.265 0.000 0.755 23 L CB -0.543 41.565 42.059 0.082 0.000 0.889 23 L HN 0.090 nan 8.230 nan 0.000 0.432 24 L N -0.619 120.680 121.223 0.127 0.000 2.046 24 L HA -0.241 4.097 4.340 -0.004 0.000 0.208 24 L C 2.311 179.198 176.870 0.028 0.000 1.077 24 L CA 1.778 56.660 54.840 0.070 0.000 0.747 24 L CB -0.631 41.437 42.059 0.015 0.000 0.896 24 L HN 0.427 nan 8.230 nan 0.000 0.432 25 D N -0.562 119.830 120.400 -0.013 0.000 2.144 25 D HA -0.140 4.497 4.640 -0.004 0.000 0.200 25 D C 2.059 178.256 176.300 -0.171 0.000 0.978 25 D CA 1.355 55.292 54.000 -0.105 0.000 0.833 25 D CB 0.038 40.749 40.800 -0.148 0.000 0.961 25 D HN 0.224 nan 8.370 nan 0.000 0.470 26 G N -1.436 107.236 108.800 -0.214 0.000 2.545 26 G HA2 -0.067 3.891 3.960 -0.004 0.000 0.212 26 G HA3 -0.067 3.891 3.960 -0.004 0.000 0.212 26 G C 0.936 175.319 174.900 -0.862 0.000 1.144 26 G CA -0.005 44.633 45.100 -0.769 0.000 0.813 26 G HN 0.310 nan 8.290 nan 0.000 0.531 27 W N 0.648 121.934 121.300 -0.023 0.000 2.534 27 W HA 0.359 5.017 4.660 -0.004 0.000 0.339 27 W C 1.029 177.538 176.519 -0.016 0.000 0.961 27 W CA -0.646 56.689 57.345 -0.016 0.000 1.545 27 W CB 0.310 29.761 29.460 -0.015 0.000 1.104 27 W HN 0.169 nan 8.180 nan 0.000 0.538 28 G N 2.053 110.939 108.800 0.143 0.000 2.563 28 G HA2 0.383 4.341 3.960 -0.004 0.000 0.283 28 G HA3 0.383 4.341 3.960 -0.004 0.000 0.283 28 G C -2.128 172.794 174.900 0.038 0.000 1.309 28 G CA -0.627 44.523 45.100 0.082 0.000 1.022 28 G HN -0.324 nan 8.290 nan 0.000 0.501 29 P HA 0.173 nan 4.420 nan 0.000 0.266 29 P C -2.453 174.847 177.300 0.000 0.000 1.195 29 P CA -0.737 62.371 63.100 0.014 0.000 0.768 29 P CB -0.342 31.367 31.700 0.014 0.000 0.838 30 P HA -0.005 nan 4.420 nan 0.000 0.257 30 P C -0.114 177.186 177.300 -0.000 0.000 1.162 30 P CA 0.355 63.451 63.100 -0.006 0.000 0.762 30 P CB 0.012 31.712 31.700 -0.000 0.000 0.753 31 L N 2.589 123.810 121.223 -0.003 0.000 2.482 31 L HA 0.071 4.408 4.340 -0.004 0.000 0.273 31 L C 1.064 177.951 176.870 0.027 0.000 1.228 31 L CA 0.360 55.205 54.840 0.008 0.000 0.827 31 L CB -0.172 41.888 42.059 0.002 0.000 1.099 31 L HN 0.333 nan 8.230 nan 0.000 0.494 32 D N 2.408 122.830 120.400 0.037 0.000 2.382 32 D HA 0.056 4.693 4.640 -0.004 0.000 0.259 32 D C -1.356 174.973 176.300 0.049 0.000 1.224 32 D CA -1.153 52.870 54.000 0.038 0.000 0.894 32 D CB 0.847 41.669 40.800 0.037 0.000 1.127 32 D HN 0.275 nan 8.370 nan 0.000 0.487 33 P HA -0.173 nan 4.420 nan 0.000 0.219 33 P C 0.960 178.282 177.300 0.036 0.000 1.146 33 P CA 0.914 64.038 63.100 0.040 0.000 0.808 33 P CB 0.361 32.074 31.700 0.021 0.000 0.779 34 E N 0.116 120.333 120.200 0.029 0.000 2.230 34 E HA 0.055 4.403 4.350 -0.004 0.000 0.192 34 E C 1.348 177.963 176.600 0.026 0.000 0.987 34 E CA 0.153 56.566 56.400 0.020 0.000 0.841 34 E CB -0.278 29.429 29.700 0.013 0.000 0.783 34 E HN 0.160 nan 8.360 nan 0.000 0.481 35 G N 1.615 110.440 108.800 0.042 0.000 2.621 35 G HA2 0.204 4.162 3.960 -0.004 0.000 0.271 35 G HA3 0.204 4.162 3.960 -0.004 0.000 0.271 35 G C -2.139 172.790 174.900 0.049 0.000 1.236 35 G CA -0.920 44.206 45.100 0.043 0.000 0.958 35 G HN 0.127 nan 8.290 nan 0.000 0.512 36 P HA 0.016 nan 4.420 nan 0.000 0.268 36 P C -0.634 176.656 177.300 -0.016 0.000 1.205 36 P CA -0.039 63.007 63.100 -0.089 0.000 0.771 36 P CB 0.990 32.509 31.700 -0.301 0.000 0.858 37 Y N 1.416 121.648 120.300 -0.114 0.000 2.476 37 Y HA 0.108 4.656 4.550 -0.004 0.000 0.283 37 Y C 1.304 177.188 175.900 -0.028 0.000 1.109 37 Y CA 0.469 58.559 58.100 -0.015 0.000 1.246 37 Y CB 0.467 38.915 38.460 -0.021 0.000 1.068 37 Y HN 0.328 nan 8.280 nan 0.000 0.552 38 S N 0.332 115.937 115.700 -0.158 0.000 2.480 38 S HA 0.471 4.939 4.470 -0.004 0.000 0.286 38 S C -1.592 172.730 174.600 -0.463 0.000 1.180 38 S CA -0.261 57.821 58.200 -0.197 0.000 1.075 38 S CB 0.067 63.204 63.200 -0.105 0.000 0.996 38 S HN 0.202 nan 8.310 nan 0.000 0.487 39 Y N 1.736 121.934 120.300 -0.169 0.000 2.477 39 Y HA 0.421 4.969 4.550 -0.004 0.000 0.347 39 Y C 0.170 175.925 175.900 -0.241 0.000 0.981 39 Y CA -0.908 57.079 58.100 -0.189 0.000 1.033 39 Y CB 1.355 39.723 38.460 -0.153 0.000 1.245 39 Y HN 0.589 nan 8.280 nan 0.000 0.455 40 c N 2.677 121.134 118.600 -0.238 0.000 2.527 40 c HA 0.331 4.899 4.570 -0.004 0.000 0.396 40 c C 0.283 174.310 174.090 -0.104 0.000 1.289 40 c CA -0.813 55.230 56.329 -0.476 0.000 2.047 40 c CB -0.871 40.746 42.510 -1.490 0.000 2.568 40 c HN 0.766 nan 8.230 nan 0.000 0.573 41 N N 0.474 119.223 118.700 0.082 0.000 2.482 41 N HA 0.365 5.102 4.740 -0.004 0.000 0.279 41 N C -0.294 175.462 175.510 0.410 0.000 1.182 41 N CA -0.149 53.023 53.050 0.203 0.000 0.969 41 N CB 0.519 39.078 38.487 0.119 0.000 1.201 41 N HN 0.614 nan 8.380 nan 0.000 0.523 42 T N 1.321 116.040 114.554 0.274 0.000 2.822 42 T HA 0.164 4.511 4.350 -0.004 0.000 0.288 42 T C -0.246 174.576 174.700 0.202 0.000 0.991 42 T CA 0.197 62.444 62.100 0.245 0.000 1.176 42 T CB -0.519 68.425 68.868 0.127 0.000 0.951 42 T HN 0.462 nan 8.240 nan 0.000 0.526 43 T N 2.691 117.345 114.554 0.166 0.000 2.896 43 T HA 0.582 4.929 4.350 -0.004 0.000 0.297 43 T C -0.875 173.840 174.700 0.026 0.000 1.108 43 T CA -0.928 61.213 62.100 0.068 0.000 1.004 43 T CB 1.704 70.576 68.868 0.007 0.000 1.159 43 T HN 0.377 nan 8.240 nan 0.000 0.499 44 L N 3.122 124.355 121.223 0.016 0.000 2.296 44 L HA 0.554 4.891 4.340 -0.004 0.000 0.286 44 L C -0.492 176.405 176.870 0.046 0.000 1.023 44 L CA -0.357 54.486 54.840 0.006 0.000 0.812 44 L CB 0.678 42.722 42.059 -0.025 0.000 1.223 44 L HN 0.799 nan 8.230 nan 0.000 0.421 45 D N 3.133 123.590 120.400 0.095 0.000 2.383 45 D HA 0.067 4.704 4.640 -0.004 0.000 0.248 45 D C 0.755 177.101 176.300 0.075 0.000 1.170 45 D CA -0.372 53.691 54.000 0.105 0.000 0.977 45 D CB 0.539 41.476 40.800 0.229 0.000 1.120 45 D HN 0.605 nan 8.370 nan 0.000 0.481 46 Q N 0.407 120.238 119.800 0.052 0.000 2.297 46 Q HA -0.145 4.192 4.340 -0.004 0.000 0.208 46 Q C 1.606 177.627 176.000 0.035 0.000 0.981 46 Q CA 1.310 57.142 55.803 0.048 0.000 0.876 46 Q CB -0.420 28.331 28.738 0.021 0.000 0.921 46 Q HN 0.701 nan 8.270 nan 0.000 0.446 47 I N -0.271 120.253 120.570 -0.077 0.000 3.603 47 I HA 0.130 4.297 4.170 -0.004 0.000 0.297 47 I C 1.134 177.179 176.117 -0.121 0.000 1.269 47 I CA 0.688 61.801 61.300 -0.311 0.000 1.361 47 I CB 0.241 37.749 38.000 -0.820 0.000 1.063 47 I HN 0.451 nan 8.210 nan 0.000 0.448 48 G N 0.878 109.674 108.800 -0.006 0.000 2.192 48 G HA2 -0.194 3.764 3.960 -0.004 0.000 0.193 48 G HA3 -0.194 3.764 3.960 -0.004 0.000 0.193 48 G C 0.358 175.211 174.900 -0.078 0.000 0.999 48 G CA -0.144 44.962 45.100 0.009 0.000 0.659 48 G HN 0.242 nan 8.290 nan 0.000 0.503 49 T N 0.950 115.430 114.554 -0.123 0.000 2.832 49 T HA 0.420 4.768 4.350 -0.004 0.000 0.296 49 T C 0.368 174.837 174.700 -0.386 0.000 0.968 49 T CA 0.378 62.279 62.100 -0.333 0.000 1.107 49 T CB 1.777 70.322 68.868 -0.539 0.000 0.916 49 T HN 0.693 nan 8.240 nan 0.000 0.517 50 c N 6.214 124.579 118.600 -0.391 0.000 2.246 50 c HA 0.495 5.063 4.570 -0.004 0.000 0.329 50 c C -0.420 173.432 174.090 -0.397 0.000 1.221 50 c CA -1.286 54.874 56.329 -0.282 0.000 1.697 50 c CB -1.572 40.840 42.510 -0.162 0.000 2.312 50 c HN 0.908 nan 8.230 nan 0.000 0.509 51 W N 8.429 129.609 121.300 -0.201 0.000 2.335 51 W HA 0.363 5.021 4.660 -0.004 0.000 0.306 51 W C -1.786 174.729 176.519 -0.007 0.000 1.216 51 W CA -2.197 55.004 57.345 -0.241 0.000 1.237 51 W CB 0.542 29.557 29.460 -0.741 0.000 1.243 51 W HN 0.584 nan 8.180 nan 0.000 0.493 52 P HA 0.088 nan 4.420 nan 0.000 0.276 52 P C -0.311 177.224 177.300 0.392 0.000 1.244 52 P CA -0.690 62.566 63.100 0.261 0.000 0.801 52 P CB 0.771 32.568 31.700 0.161 0.000 1.006 53 R N 1.411 122.061 120.500 0.251 0.000 2.481 53 R HA 0.125 4.463 4.340 -0.004 0.000 0.291 53 R C -0.652 175.781 176.300 0.221 0.000 0.934 53 R CA 0.980 57.197 56.100 0.194 0.000 1.116 53 R CB -0.364 29.952 30.300 0.027 0.000 0.895 53 R HN 0.465 nan 8.270 nan 0.000 0.410 54 S N 2.085 117.923 115.700 0.230 0.000 2.541 54 S HA 0.536 5.004 4.470 -0.004 0.000 0.271 54 S C -1.110 173.551 174.600 0.102 0.000 1.133 54 S CA -0.543 57.763 58.200 0.177 0.000 0.876 54 S CB 2.004 65.266 63.200 0.102 0.000 1.105 54 S HN 0.812 nan 8.310 nan 0.000 0.470 55 A N 1.618 124.428 122.820 -0.017 0.000 2.407 55 A HA 0.700 5.018 4.320 -0.004 0.000 0.248 55 A C 0.594 177.983 177.584 -0.325 0.000 1.082 55 A CA -0.166 51.637 52.037 -0.390 0.000 0.785 55 A CB -0.170 18.624 19.000 -0.343 0.000 1.020 55 A HN 1.295 nan 8.150 nan 0.000 0.489 56 A N 1.030 123.620 122.820 -0.382 0.000 2.573 56 A HA 0.443 4.760 4.320 -0.004 0.000 0.250 56 A C 1.603 179.065 177.584 -0.202 0.000 1.049 56 A CA 1.054 52.925 52.037 -0.277 0.000 0.767 56 A CB -0.936 17.922 19.000 -0.237 0.000 0.965 56 A HN 2.744 nan 8.150 nan 0.000 0.514 57 G N 1.012 109.709 108.800 -0.172 0.000 2.213 57 G HA2 0.185 4.142 3.960 -0.004 0.000 0.226 57 G HA3 0.185 4.142 3.960 -0.004 0.000 0.226 57 G C 0.566 175.415 174.900 -0.086 0.000 0.992 57 G CA 0.279 45.310 45.100 -0.115 0.000 0.632 57 G HN 2.224 nan 8.290 nan 0.000 0.511 58 A N 0.512 123.276 122.820 -0.094 0.000 2.440 58 A HA 0.674 4.992 4.320 -0.004 0.000 0.251 58 A C 0.206 177.798 177.584 0.014 0.000 1.089 58 A CA 0.043 52.061 52.037 -0.031 0.000 0.779 58 A CB 0.781 19.773 19.000 -0.013 0.000 1.022 58 A HN 1.387 nan 8.150 nan 0.000 0.492 59 L N 4.398 125.651 121.223 0.050 0.000 2.278 59 L HA 0.478 4.816 4.340 -0.004 0.000 0.287 59 L C -0.399 176.575 176.870 0.174 0.000 1.072 59 L CA 0.226 55.126 54.840 0.099 0.000 0.819 59 L CB 0.791 42.898 42.059 0.080 0.000 1.176 59 L HN 0.394 nan 8.230 nan 0.000 0.435 60 V N 4.931 124.986 119.914 0.235 0.000 2.435 60 V HA 0.454 4.571 4.120 -0.004 0.000 0.290 60 V C -0.015 176.303 176.094 0.374 0.000 1.030 60 V CA -0.773 61.721 62.300 0.324 0.000 0.881 60 V CB 1.483 33.599 31.823 0.489 0.000 0.983 60 V HN 0.762 nan 8.190 nan 0.000 0.445 61 E N 4.197 124.539 120.200 0.237 0.000 2.151 61 E HA 0.595 4.943 4.350 -0.004 0.000 0.275 61 E C -0.919 175.633 176.600 -0.081 0.000 0.936 61 E CA -0.794 55.608 56.400 0.002 0.000 0.777 61 E CB 0.957 30.650 29.700 -0.011 0.000 1.108 61 E HN 0.490 nan 8.360 nan 0.000 0.401 62 R N 3.800 124.129 120.500 -0.286 0.000 2.725 62 R HA 0.428 4.766 4.340 -0.004 0.000 0.277 62 R C -2.727 173.349 176.300 -0.374 0.000 0.987 62 R CA -2.574 53.270 56.100 -0.427 0.000 0.901 62 R CB 1.340 31.095 30.300 -0.909 0.000 1.207 62 R HN 0.458 nan 8.270 nan 0.000 0.463 63 P HA 0.147 nan 4.420 nan 0.000 0.271 63 P C -0.075 177.124 177.300 -0.168 0.000 1.216 63 P CA -0.382 62.611 63.100 -0.180 0.000 0.771 63 P CB 0.412 32.040 31.700 -0.121 0.000 0.864 64 c N 5.472 124.012 118.600 -0.100 0.000 2.692 64 c HA 0.063 4.631 4.570 -0.004 0.000 0.409 64 c C -1.649 172.435 174.090 -0.010 0.000 1.284 64 c CA -0.358 55.951 56.329 -0.033 0.000 1.909 64 c CB -1.341 41.184 42.510 0.026 0.000 2.713 64 c HN 0.547 nan 8.230 nan 0.000 0.649 65 P HA 0.072 nan 4.420 nan 0.000 0.269 65 P C 0.607 177.985 177.300 0.130 0.000 1.209 65 P CA 0.141 63.258 63.100 0.030 0.000 0.776 65 P CB 0.354 32.050 31.700 -0.005 0.000 0.876 66 E N 1.023 121.317 120.200 0.157 0.000 2.274 66 E HA -0.123 4.224 4.350 -0.004 0.000 0.194 66 E C -0.597 176.210 176.600 0.345 0.000 0.996 66 E CA 0.753 57.276 56.400 0.207 0.000 0.840 66 E CB 0.152 29.942 29.700 0.151 0.000 0.772 66 E HN 0.454 nan 8.360 nan 0.000 0.491 67 Y N -0.684 119.739 120.300 0.203 0.000 2.390 67 Y HA 0.333 4.881 4.550 -0.004 0.000 0.324 67 Y C -2.042 174.059 175.900 0.335 0.000 1.151 67 Y CA -1.161 57.087 58.100 0.247 0.000 1.053 67 Y CB 1.174 39.746 38.460 0.188 0.000 1.277 67 Y HN -0.102 nan 8.280 nan 0.000 0.432 68 F N 6.950 126.837 119.950 -0.105 0.000 2.617 68 F HA 0.406 4.931 4.527 -0.004 0.000 0.325 68 F C -0.249 175.437 175.800 -0.190 0.000 1.179 68 F CA -1.084 56.857 58.000 -0.098 0.000 0.965 68 F CB 1.034 39.986 39.000 -0.081 0.000 1.232 68 F HN 0.679 nan 8.300 nan 0.000 0.461 69 N N 4.397 122.644 118.700 -0.756 0.000 2.696 69 N HA -0.142 4.595 4.740 -0.004 0.000 0.256 69 N C 0.854 176.085 175.510 -0.465 0.000 1.031 69 N CA 1.643 54.287 53.050 -0.676 0.000 0.730 69 N CB -0.831 37.014 38.487 -1.071 0.000 0.894 69 N HN 1.486 nan 8.380 nan 0.000 0.544 70 G N -2.116 106.366 108.800 -0.529 0.000 2.166 70 G HA2 -0.260 3.697 3.960 -0.004 0.000 0.260 70 G HA3 -0.260 3.697 3.960 -0.004 0.000 0.260 70 G C -0.037 174.641 174.900 -0.369 0.000 0.986 70 G CA 0.467 45.345 45.100 -0.371 0.000 0.683 70 G HN 0.742 nan 8.290 nan 0.000 0.527 71 V N 0.556 120.189 119.914 -0.468 0.000 2.577 71 V HA 0.435 4.552 4.120 -0.004 0.000 0.303 71 V C 0.195 176.183 176.094 -0.177 0.000 1.042 71 V CA -1.123 61.023 62.300 -0.257 0.000 0.872 71 V CB 1.890 33.602 31.823 -0.186 0.000 0.998 71 V HN 0.272 nan 8.190 nan 0.000 0.423 72 K N 3.837 124.176 120.400 -0.101 0.000 2.205 72 K HA 0.578 4.895 4.320 -0.004 0.000 0.279 72 K C -1.396 175.170 176.600 -0.056 0.000 1.027 72 K CA -0.337 55.988 56.287 0.063 0.000 0.932 72 K CB 1.330 33.907 32.500 0.128 0.000 1.032 72 K HN 0.523 nan 8.250 nan 0.000 0.466 73 Y N 0.471 120.820 120.300 0.081 0.000 2.587 73 Y HA 0.146 4.694 4.550 -0.004 0.000 0.337 73 Y C 0.427 176.365 175.900 0.063 0.000 1.065 73 Y CA -1.029 57.113 58.100 0.070 0.000 1.126 73 Y CB 1.176 39.683 38.460 0.078 0.000 1.279 73 Y HN 0.529 nan 8.280 nan 0.000 0.489 74 N N 0.460 119.294 118.700 0.223 0.000 2.405 74 N HA 0.020 4.758 4.740 -0.004 0.000 0.260 74 N C 0.531 176.114 175.510 0.123 0.000 1.152 74 N CA 0.153 53.285 53.050 0.136 0.000 0.948 74 N CB 0.731 39.281 38.487 0.104 0.000 1.111 74 N HN 0.737 nan 8.380 nan 0.000 0.485 75 T N -1.027 113.580 114.554 0.089 0.000 3.160 75 T HA -0.062 4.286 4.350 -0.004 0.000 0.257 75 T C 1.191 175.904 174.700 0.021 0.000 1.147 75 T CA 0.927 63.058 62.100 0.052 0.000 1.064 75 T CB -0.498 68.395 68.868 0.041 0.000 0.949 75 T HN 0.521 nan 8.240 nan 0.000 0.526 76 T N -1.809 112.764 114.554 0.031 0.000 3.092 76 T HA 0.399 4.746 4.350 -0.004 0.000 0.258 76 T C 0.674 175.387 174.700 0.022 0.000 1.031 76 T CA -0.708 61.403 62.100 0.018 0.000 0.925 76 T CB 0.342 69.224 68.868 0.023 0.000 1.036 76 T HN 0.252 nan 8.240 nan 0.000 0.544 77 R N 0.964 121.482 120.500 0.030 0.000 2.700 77 R HA 0.605 4.943 4.340 -0.004 0.000 0.253 77 R C -0.428 175.857 176.300 -0.026 0.000 1.091 77 R CA -0.824 55.295 56.100 0.033 0.000 1.104 77 R CB 0.650 30.992 30.300 0.070 0.000 1.202 77 R HN 0.187 nan 8.270 nan 0.000 0.532 78 N N -0.745 117.914 118.700 -0.069 0.000 2.312 78 N HA 0.486 5.224 4.740 -0.004 0.000 0.296 78 N C -1.321 173.944 175.510 -0.408 0.000 1.193 78 N CA -0.579 52.300 53.050 -0.285 0.000 0.773 78 N CB 2.149 40.372 38.487 -0.441 0.000 1.435 78 N HN 0.562 nan 8.380 nan 0.000 0.484 79 A N 0.589 123.095 122.820 -0.522 0.000 2.311 79 A HA 0.783 5.100 4.320 -0.004 0.000 0.334 79 A C -1.548 175.736 177.584 -0.500 0.000 1.139 79 A CA -0.367 51.372 52.037 -0.497 0.000 0.830 79 A CB 0.619 19.221 19.000 -0.663 0.000 1.234 79 A HN 0.613 nan 8.150 nan 0.000 0.483 80 Y N -0.377 119.922 120.300 -0.001 0.000 2.477 80 Y HA 0.740 5.288 4.550 -0.004 0.000 0.347 80 Y C 0.190 175.954 175.900 -0.226 0.000 0.981 80 Y CA -0.534 57.576 58.100 0.017 0.000 1.033 80 Y CB 2.235 40.679 38.460 -0.026 0.000 1.245 80 Y HN 0.781 nan 8.280 nan 0.000 0.455 81 R N 1.983 122.351 120.500 -0.220 0.000 2.515 81 R HA 0.237 4.575 4.340 -0.004 0.000 0.278 81 R C -1.542 174.713 176.300 -0.074 0.000 1.107 81 R CA -0.637 55.195 56.100 -0.447 0.000 0.945 81 R CB 1.802 31.268 30.300 -1.390 0.000 1.219 81 R HN 0.892 nan 8.270 nan 0.000 0.434 82 E N 3.243 123.441 120.200 -0.003 0.000 2.316 82 E HA 0.079 4.427 4.350 -0.004 0.000 0.275 82 E C -0.957 175.685 176.600 0.070 0.000 1.029 82 E CA -0.339 56.085 56.400 0.040 0.000 0.871 82 E CB 0.983 30.678 29.700 -0.008 0.000 1.022 82 E HN 0.523 nan 8.360 nan 0.000 0.418 83 c N 7.340 125.883 118.600 -0.096 0.000 2.303 83 c HA 0.371 4.938 4.570 -0.004 0.000 0.341 83 c C 0.334 174.274 174.090 -0.251 0.000 1.244 83 c CA -0.731 55.342 56.329 -0.428 0.000 1.765 83 c CB -1.447 40.660 42.510 -0.671 0.000 2.379 83 c HN 0.694 nan 8.230 nan 0.000 0.530 84 L N 4.887 125.983 121.223 -0.212 0.000 2.475 84 L HA 0.221 4.559 4.340 -0.004 0.000 0.250 84 L C 1.606 178.389 176.870 -0.145 0.000 1.224 84 L CA -0.115 54.645 54.840 -0.135 0.000 0.821 84 L CB 0.333 42.337 42.059 -0.092 0.000 1.141 84 L HN 0.645 nan 8.230 nan 0.000 0.494 85 E N 0.469 120.606 120.200 -0.105 0.000 2.267 85 E HA -0.210 4.138 4.350 -0.004 0.000 0.197 85 E C 1.040 177.579 176.600 -0.102 0.000 0.998 85 E CA 1.523 57.864 56.400 -0.098 0.000 0.830 85 E CB -0.180 29.477 29.700 -0.071 0.000 0.751 85 E HN 0.640 nan 8.360 nan 0.000 0.491 86 N N -1.650 116.990 118.700 -0.101 0.000 2.230 86 N HA 0.161 4.898 4.740 -0.004 0.000 0.202 86 N C 0.780 176.226 175.510 -0.106 0.000 1.119 86 N CA 0.439 53.437 53.050 -0.086 0.000 0.851 86 N CB 1.058 39.508 38.487 -0.062 0.000 0.990 86 N HN 0.083 nan 8.380 nan 0.000 0.497 87 G N -0.266 108.437 108.800 -0.162 0.000 2.132 87 G HA2 -0.266 3.692 3.960 -0.004 0.000 0.234 87 G HA3 -0.266 3.692 3.960 -0.004 0.000 0.234 87 G C -0.032 174.733 174.900 -0.224 0.000 0.989 87 G CA 0.409 45.387 45.100 -0.204 0.000 0.676 87 G HN 0.748 nan 8.290 nan 0.000 0.522 88 T N -2.388 112.046 114.554 -0.200 0.000 2.824 88 T HA 0.546 4.893 4.350 -0.004 0.000 0.280 88 T C 0.214 174.800 174.700 -0.191 0.000 0.995 88 T CA -0.776 61.230 62.100 -0.156 0.000 1.009 88 T CB 1.448 70.283 68.868 -0.055 0.000 0.955 88 T HN 0.351 nan 8.240 nan 0.000 0.452 89 W N 2.081 123.345 121.300 -0.060 0.000 2.264 89 W HA 0.451 5.109 4.660 -0.004 0.000 0.331 89 W C 1.077 177.530 176.519 -0.110 0.000 1.364 89 W CA -0.603 56.680 57.345 -0.104 0.000 1.253 89 W CB 0.291 29.682 29.460 -0.116 0.000 1.215 89 W HN 1.019 nan 8.180 nan 0.000 0.561 90 A N 2.540 125.466 122.820 0.177 0.000 2.507 90 A HA 0.072 4.390 4.320 -0.004 0.000 0.235 90 A C 1.430 179.035 177.584 0.035 0.000 1.070 90 A CA 0.477 52.550 52.037 0.060 0.000 0.768 90 A CB 0.249 19.259 19.000 0.017 0.000 1.011 90 A HN 0.799 nan 8.150 nan 0.000 0.502 91 S N 1.208 116.913 115.700 0.009 0.000 2.357 91 S HA -0.066 4.402 4.470 -0.004 0.000 0.221 91 S C 1.000 175.583 174.600 -0.028 0.000 1.031 91 S CA 1.288 59.486 58.200 -0.003 0.000 0.982 91 S CB -0.315 62.888 63.200 0.005 0.000 0.853 91 S HN 0.751 nan 8.310 nan 0.000 0.458 92 K N 1.151 121.531 120.400 -0.034 0.000 2.218 92 K HA 0.464 4.781 4.320 -0.004 0.000 0.276 92 K C -1.267 175.284 176.600 -0.081 0.000 1.022 92 K CA -0.343 55.920 56.287 -0.040 0.000 0.946 92 K CB 0.373 32.855 32.500 -0.030 0.000 1.000 92 K HN 0.306 nan 8.250 nan 0.000 0.468 93 I N 3.235 123.774 120.570 -0.052 0.000 2.466 93 I HA 0.134 4.301 4.170 -0.004 0.000 0.289 93 I C -0.316 175.787 176.117 -0.023 0.000 1.026 93 I CA -0.954 60.286 61.300 -0.100 0.000 1.078 93 I CB 1.707 39.678 38.000 -0.049 0.000 1.249 93 I HN 0.510 nan 8.210 nan 0.000 0.429 94 N N 5.389 124.038 118.700 -0.084 0.000 2.439 94 N HA 0.145 4.883 4.740 -0.004 0.000 0.243 94 N C -0.477 174.982 175.510 -0.085 0.000 1.088 94 N CA 0.223 53.271 53.050 -0.004 0.000 0.940 94 N CB 0.302 38.827 38.487 0.062 0.000 1.180 94 N HN 0.487 nan 8.380 nan 0.000 0.505 95 Y N 0.635 120.960 120.300 0.042 0.000 2.555 95 Y HA 0.036 4.584 4.550 -0.004 0.000 0.259 95 Y C 2.108 178.017 175.900 0.015 0.000 1.179 95 Y CA -0.177 57.920 58.100 -0.005 0.000 1.230 95 Y CB 0.330 38.725 38.460 -0.108 0.000 1.146 95 Y HN 0.581 nan 8.280 nan 0.000 0.526 96 S N -0.793 114.999 115.700 0.153 0.000 2.469 96 S HA -0.181 4.287 4.470 -0.004 0.000 0.238 96 S C 1.546 176.222 174.600 0.127 0.000 0.998 96 S CA 1.016 59.288 58.200 0.121 0.000 0.957 96 S CB -0.003 63.246 63.200 0.082 0.000 0.764 96 S HN 0.383 nan 8.310 nan 0.000 0.514 97 Q N 0.151 120.039 119.800 0.146 0.000 2.402 97 Q HA 0.228 4.566 4.340 -0.004 0.000 0.206 97 Q C 0.386 176.474 176.000 0.146 0.000 0.919 97 Q CA 0.139 56.029 55.803 0.145 0.000 0.923 97 Q CB -0.393 28.457 28.738 0.186 0.000 1.048 97 Q HN 0.592 nan 8.270 nan 0.000 0.515 98 c N 3.117 121.808 118.600 0.151 0.000 2.492 98 c HA 0.282 4.850 4.570 -0.004 0.000 0.362 98 c C 0.647 174.943 174.090 0.345 0.000 1.207 98 c CA -0.610 55.825 56.329 0.176 0.000 1.626 98 c CB -1.224 41.298 42.510 0.020 0.000 2.239 98 c HN 0.201 nan 8.230 nan 0.000 0.547 99 E N 3.783 124.198 120.200 0.358 0.000 2.195 99 E HA 0.424 4.771 4.350 -0.004 0.000 0.271 99 E C -2.234 174.475 176.600 0.182 0.000 0.923 99 E CA -1.337 55.245 56.400 0.304 0.000 0.790 99 E CB 1.946 31.737 29.700 0.150 0.000 1.155 99 E HN 0.391 nan 8.360 nan 0.000 0.402 100 P HA 0.120 nan 4.420 nan 0.000 0.289 100 P C 0.038 177.251 177.300 -0.146 0.000 1.299 100 P CA -0.564 62.294 63.100 -0.404 0.000 0.766 100 P CB 0.382 31.700 31.700 -0.637 0.000 1.226 101 I N 0.000 120.490 120.570 -0.133 0.000 2.984 101 I HA 0.000 4.168 4.170 -0.004 0.000 0.288 101 I CA 0.000 61.264 61.300 -0.060 0.000 1.566 101 I CB 0.000 37.976 38.000 -0.039 0.000 1.214 101 I HN 0.000 nan 8.210 nan 0.000 0.494