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 3n96_1_C 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 XXXXXPYSYc NTTLDQIGTc WPRSAAGALV ERPcPEYFNG VKYNTTRNAY DATA SEQUENCE REcLENGTWA SKINYSQcEP IL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -369 K HA 0.000 nan 4.320 nan 0.000 0.191 -369 K C 0.000 176.566 176.600 -0.057 0.000 0.988 -369 K CA 0.000 56.255 56.287 -0.054 0.000 0.838 -369 K CB 0.000 32.472 32.500 -0.047 0.000 1.064 -368 I N 1.635 122.162 120.570 -0.071 0.000 2.892 -368 I HA 0.049 4.220 4.170 0.000 0.000 0.287 -368 I C 0.344 176.429 176.117 -0.053 0.000 1.205 -368 I CA 0.169 61.424 61.300 -0.074 0.000 1.409 -368 I CB 0.324 38.267 38.000 -0.096 0.000 1.367 -368 I HN 0.333 nan 8.210 nan 0.000 0.597 -367 E N 4.563 124.735 120.200 -0.047 0.000 2.289 -367 E HA 0.094 4.445 4.350 0.000 0.000 0.278 -367 E C -0.319 176.263 176.600 -0.030 0.000 1.032 -367 E CA -0.440 55.940 56.400 -0.033 0.000 0.854 -367 E CB 0.877 30.562 29.700 -0.025 0.000 1.046 -367 E HN 0.472 nan 8.360 nan 0.000 0.409 -366 E N 0.939 121.126 120.200 -0.022 0.000 2.290 -366 E HA 0.162 4.512 4.350 0.000 0.000 0.277 -366 E C 0.443 177.039 176.600 -0.007 0.000 1.035 -366 E CA 0.310 56.701 56.400 -0.015 0.000 0.873 -366 E CB 0.384 30.077 29.700 -0.011 0.000 1.029 -366 E HN 0.801 nan 8.360 nan 0.000 0.419 -365 G N 4.089 112.889 108.800 -0.001 0.000 2.144 -365 G HA2 -0.233 3.728 3.960 0.000 0.000 0.218 -365 G HA3 -0.233 3.728 3.960 0.000 0.000 0.218 -365 G C -0.169 174.740 174.900 0.015 0.000 0.988 -365 G CA 0.458 45.566 45.100 0.012 0.000 0.659 -365 G HN 0.590 nan 8.290 nan 0.000 0.522 -364 K N -0.756 119.642 120.400 -0.003 0.000 2.466 -364 K HA 0.869 5.190 4.320 0.000 0.000 0.260 -364 K C -0.988 175.578 176.600 -0.057 0.000 1.011 -364 K CA -1.315 54.965 56.287 -0.012 0.000 0.871 -364 K CB 1.853 34.343 32.500 -0.016 0.000 1.404 -364 K HN 0.147 nan 8.250 nan 0.000 0.450 -363 L N 1.733 122.892 121.223 -0.108 0.000 2.333 -363 L HA 0.475 4.815 4.340 0.000 0.000 0.280 -363 L C -0.942 175.823 176.870 -0.176 0.000 1.004 -363 L CA -1.298 53.421 54.840 -0.202 0.000 0.820 -363 L CB 2.093 43.910 42.059 -0.402 0.000 1.247 -363 L HN 0.399 nan 8.230 nan 0.000 0.416 -362 V N 4.640 124.461 119.914 -0.156 0.000 2.483 -362 V HA 0.517 4.637 4.120 0.000 0.000 0.295 -362 V C -0.018 176.003 176.094 -0.122 0.000 1.035 -362 V CA -0.387 61.850 62.300 -0.103 0.000 0.896 -362 V CB 2.042 33.816 31.823 -0.082 0.000 0.986 -362 V HN 0.503 nan 8.190 nan 0.000 0.447 -361 I N 3.098 123.675 120.570 0.011 0.000 2.498 -361 I HA 0.408 4.578 4.170 0.000 0.000 0.290 -361 I C -1.341 175.011 176.117 0.392 0.000 1.032 -361 I CA -0.419 60.949 61.300 0.113 0.000 1.073 -361 I CB 2.262 40.333 38.000 0.117 0.000 1.251 -361 I HN 0.521 nan 8.210 nan 0.000 0.426 -360 W N 7.277 128.628 121.300 0.085 0.000 2.314 -360 W HA 0.653 5.313 4.660 0.000 0.000 0.310 -360 W C -0.304 176.340 176.519 0.207 0.000 1.075 -360 W CA -0.886 56.511 57.345 0.086 0.000 1.253 -360 W CB 1.127 30.599 29.460 0.020 0.000 1.238 -360 W HN 0.238 nan 8.180 nan 0.000 0.440 -359 I N 3.087 123.855 120.570 0.329 0.000 2.934 -359 I HA 0.332 4.503 4.170 0.000 0.000 0.306 -359 I C -0.268 175.936 176.117 0.145 0.000 1.110 -359 I CA -1.069 60.385 61.300 0.257 0.000 1.019 -359 I CB 1.876 39.907 38.000 0.053 0.000 1.227 -359 I HN 0.127 nan 8.210 nan 0.000 0.434 -358 N N 2.852 121.616 118.700 0.107 0.000 2.513 -358 N HA 0.174 4.914 4.740 0.000 0.000 0.268 -358 N C 1.022 176.501 175.510 -0.051 0.000 1.180 -358 N CA 0.949 54.010 53.050 0.018 0.000 0.948 -358 N CB 1.611 39.996 38.487 -0.169 0.000 1.083 -358 N HN 0.751 nan 8.380 nan 0.000 0.455 -357 G N 2.011 110.770 108.800 -0.067 0.000 2.499 -357 G HA2 -0.301 3.659 3.960 0.000 0.000 0.221 -357 G HA3 -0.301 3.659 3.960 0.000 0.000 0.221 -357 G C 0.865 175.766 174.900 0.002 0.000 1.109 -357 G CA 1.210 46.242 45.100 -0.112 0.000 0.749 -357 G HN 0.818 nan 8.290 nan 0.000 0.568 -356 D N -0.237 120.079 120.400 -0.141 0.000 2.347 -356 D HA 0.027 4.667 4.640 0.000 0.000 0.213 -356 D C 1.120 177.340 176.300 -0.133 0.000 0.985 -356 D CA 0.396 54.293 54.000 -0.171 0.000 0.879 -356 D CB 0.101 40.626 40.800 -0.458 0.000 0.919 -356 D HN 0.085 nan 8.370 nan 0.000 0.526 -355 K N 0.277 120.597 120.400 -0.134 0.000 2.362 -355 K HA 0.468 4.788 4.320 0.000 0.000 0.245 -355 K C 1.008 177.572 176.600 -0.060 0.000 1.040 -355 K CA -0.452 55.775 56.287 -0.099 0.000 0.961 -355 K CB 0.281 32.689 32.500 -0.153 0.000 1.252 -355 K HN 0.052 nan 8.250 nan 0.000 0.503 -354 G N 1.640 110.387 108.800 -0.089 0.000 3.458 -354 G HA2 0.100 4.061 3.960 0.000 0.000 0.256 -354 G HA3 0.100 4.061 3.960 0.000 0.000 0.256 -354 G C 0.743 175.553 174.900 -0.149 0.000 0.938 -354 G CA -0.209 44.804 45.100 -0.145 0.000 1.890 -354 G HN 0.581 nan 8.290 nan 0.000 0.639 -353 Y N -1.083 119.152 120.300 -0.109 0.000 2.421 -353 Y HA -0.016 4.535 4.550 0.000 0.000 0.292 -353 Y C 1.900 177.782 175.900 -0.030 0.000 1.136 -353 Y CA 0.986 59.036 58.100 -0.083 0.000 1.255 -353 Y CB -0.419 37.996 38.460 -0.074 0.000 0.991 -353 Y HN 0.377 nan 8.280 nan 0.000 0.552 -352 N N 0.418 118.961 118.700 -0.261 0.000 2.333 -352 N HA 0.012 4.752 4.740 0.000 0.000 0.178 -352 N C 2.167 177.653 175.510 -0.040 0.000 1.018 -352 N CA 0.509 53.497 53.050 -0.102 0.000 0.882 -352 N CB -0.275 38.096 38.487 -0.193 0.000 0.984 -352 N HN 0.525 nan 8.380 nan 0.000 0.434 -351 G N 1.712 110.469 108.800 -0.071 0.000 2.433 -351 G HA2 -0.242 3.718 3.960 0.000 0.000 0.216 -351 G HA3 -0.242 3.718 3.960 0.000 0.000 0.216 -351 G C 1.456 176.362 174.900 0.010 0.000 1.186 -351 G CA 0.471 45.555 45.100 -0.026 0.000 0.779 -351 G HN 0.158 nan 8.290 nan 0.000 0.543 -350 L N 1.373 122.599 121.223 0.005 0.000 2.013 -350 L HA -0.009 4.331 4.340 0.000 0.000 0.212 -350 L C 3.072 180.019 176.870 0.129 0.000 1.073 -350 L CA 2.418 57.287 54.840 0.049 0.000 0.753 -350 L CB -0.540 41.511 42.059 -0.014 0.000 0.890 -350 L HN 0.243 nan 8.230 nan 0.000 0.432 -349 A N -1.286 121.605 122.820 0.120 0.000 2.019 -349 A HA -0.160 4.161 4.320 0.000 0.000 0.219 -349 A C 2.160 179.817 177.584 0.121 0.000 1.164 -349 A CA 1.514 53.630 52.037 0.132 0.000 0.644 -349 A CB -0.515 18.565 19.000 0.135 0.000 0.805 -349 A HN 0.556 nan 8.150 nan 0.000 0.449 -348 E N -0.074 120.182 120.200 0.094 0.000 2.106 -348 E HA -0.098 4.252 4.350 0.000 0.000 0.192 -348 E C 2.150 178.818 176.600 0.113 0.000 0.984 -348 E CA 1.309 57.761 56.400 0.087 0.000 0.806 -348 E CB -0.351 29.383 29.700 0.056 0.000 0.750 -348 E HN 0.440 nan 8.360 nan 0.000 0.458 -347 V N 0.691 120.676 119.914 0.119 0.000 2.490 -347 V HA -0.160 3.960 4.120 0.000 0.000 0.250 -347 V C 2.402 178.641 176.094 0.242 0.000 1.061 -347 V CA 1.809 64.190 62.300 0.134 0.000 1.064 -347 V CB -1.005 30.846 31.823 0.047 0.000 0.670 -347 V HN 0.283 nan 8.190 nan 0.000 0.461 -346 G N -0.374 108.616 108.800 0.317 0.000 2.422 -346 G HA2 -0.248 3.712 3.960 0.000 0.000 0.218 -346 G HA3 -0.248 3.712 3.960 0.000 0.000 0.218 -346 G C 1.622 176.666 174.900 0.240 0.000 1.140 -346 G CA 0.735 46.048 45.100 0.355 0.000 0.775 -346 G HN 0.440 nan 8.290 nan 0.000 0.545 -345 K N 0.248 120.752 120.400 0.174 0.000 2.288 -345 K HA 0.131 4.451 4.320 0.000 0.000 0.201 -345 K C 2.263 178.945 176.600 0.136 0.000 1.048 -345 K CA 0.679 57.045 56.287 0.132 0.000 0.956 -345 K CB -0.021 32.539 32.500 0.099 0.000 0.746 -345 K HN 0.274 nan 8.250 nan 0.000 0.461 -344 K N -0.698 119.804 120.400 0.171 0.000 2.031 -344 K HA -0.095 4.225 4.320 0.000 0.000 0.205 -344 K C 1.877 178.581 176.600 0.174 0.000 1.049 -344 K CA 1.086 57.490 56.287 0.195 0.000 0.939 -344 K CB -0.191 32.467 32.500 0.263 0.000 0.717 -344 K HN 0.089 nan 8.250 nan 0.000 0.438 -343 F N 2.416 122.290 119.950 -0.126 0.000 2.126 -343 F HA -0.215 4.312 4.527 0.000 0.000 0.299 -343 F C 2.273 177.975 175.800 -0.162 0.000 1.096 -343 F CA 1.836 59.557 58.000 -0.465 0.000 1.255 -343 F CB -0.034 38.759 39.000 -0.345 0.000 0.997 -343 F HN 0.189 nan 8.300 nan 0.000 0.479 -342 E N 0.083 120.345 120.200 0.103 0.000 2.047 -342 E HA -0.252 4.098 4.350 0.000 0.000 0.191 -342 E C 2.204 178.791 176.600 -0.021 0.000 0.987 -342 E CA 1.156 57.581 56.400 0.041 0.000 0.799 -342 E CB -0.062 29.695 29.700 0.095 0.000 0.752 -342 E HN 0.261 nan 8.360 nan 0.000 0.449 -341 K N 0.739 121.149 120.400 0.017 0.000 2.059 -341 K HA -0.214 4.107 4.320 0.000 0.000 0.212 -341 K C 1.717 178.308 176.600 -0.014 0.000 1.050 -341 K CA 2.273 58.570 56.287 0.016 0.000 0.927 -341 K CB -0.089 32.441 32.500 0.048 0.000 0.714 -341 K HN 0.141 nan 8.250 nan 0.000 0.447 -340 D N -1.581 118.798 120.400 -0.035 0.000 2.091 -340 D HA -0.098 4.542 4.640 0.000 0.000 0.199 -340 D C 1.930 178.149 176.300 -0.135 0.000 0.980 -340 D CA 1.958 55.930 54.000 -0.048 0.000 0.831 -340 D CB -0.330 40.495 40.800 0.041 0.000 0.987 -340 D HN 0.430 nan 8.370 nan 0.000 0.460 -339 T N -3.953 110.424 114.554 -0.295 0.000 3.014 -339 T HA 0.341 4.692 4.350 0.000 0.000 0.250 -339 T C 1.669 176.255 174.700 -0.190 0.000 1.060 -339 T CA 0.732 62.634 62.100 -0.329 0.000 1.040 -339 T CB 0.617 69.067 68.868 -0.697 0.000 0.971 -339 T HN 0.230 nan 8.240 nan 0.000 0.497 -338 G N 1.569 110.286 108.800 -0.139 0.000 2.143 -338 G HA2 -0.153 3.807 3.960 0.000 0.000 0.249 -338 G HA3 -0.153 3.807 3.960 0.000 0.000 0.249 -338 G C -0.078 174.808 174.900 -0.024 0.000 0.981 -338 G CA 0.022 45.087 45.100 -0.058 0.000 0.665 -338 G HN 0.556 nan 8.290 nan 0.000 0.528 -337 I N 1.284 121.844 120.570 -0.017 0.000 2.307 -337 I HA 0.274 4.444 4.170 0.000 0.000 0.289 -337 I C 0.881 177.077 176.117 0.133 0.000 1.021 -337 I CA -1.189 60.161 61.300 0.084 0.000 1.224 -337 I CB 1.207 39.325 38.000 0.198 0.000 1.376 -337 I HN 0.142 nan 8.210 nan 0.000 0.470 -336 K N 5.483 125.925 120.400 0.070 0.000 2.491 -336 K HA 0.154 4.474 4.320 0.000 0.000 0.279 -336 K C -0.898 175.722 176.600 0.032 0.000 1.026 -336 K CA 0.136 56.454 56.287 0.053 0.000 1.070 -336 K CB 0.574 33.090 32.500 0.027 0.000 0.887 -336 K HN 0.370 nan 8.250 nan 0.000 0.481 -335 V N 4.940 124.866 119.914 0.021 0.000 2.326 -335 V HA 0.140 4.260 4.120 0.000 0.000 0.281 -335 V C -0.420 175.650 176.094 -0.040 0.000 1.015 -335 V CA -0.732 61.521 62.300 -0.079 0.000 0.823 -335 V CB 1.572 33.304 31.823 -0.151 0.000 1.009 -335 V HN 0.812 nan 8.190 nan 0.000 0.436 -334 T N 4.633 119.161 114.554 -0.043 0.000 2.799 -334 T HA 0.529 4.879 4.350 0.000 0.000 0.286 -334 T C -0.144 174.571 174.700 0.025 0.000 0.973 -334 T CA -0.357 61.746 62.100 0.006 0.000 1.035 -334 T CB 1.616 70.495 68.868 0.017 0.000 0.932 -334 T HN 0.297 nan 8.240 nan 0.000 0.469 -333 V N 4.181 124.134 119.914 0.065 0.000 2.347 -333 V HA 0.405 4.525 4.120 0.000 0.000 0.280 -333 V C 0.132 176.283 176.094 0.096 0.000 1.021 -333 V CA -0.654 61.711 62.300 0.109 0.000 0.847 -333 V CB 1.186 33.093 31.823 0.140 0.000 0.990 -333 V HN 0.859 nan 8.190 nan 0.000 0.444 -332 E N 2.509 122.768 120.200 0.099 0.000 2.299 -332 E HA 0.649 4.999 4.350 0.000 0.000 0.260 -332 E C -1.089 175.415 176.600 -0.160 0.000 0.944 -332 E CA -0.850 55.491 56.400 -0.098 0.000 0.815 -332 E CB 1.998 31.638 29.700 -0.101 0.000 1.252 -332 E HN 0.978 nan 8.360 nan 0.000 0.418 -331 H N -1.456 117.404 119.070 -0.350 0.000 2.514 -331 H HA 0.377 4.933 4.556 0.000 0.000 0.226 -331 H C -2.770 172.329 175.328 -0.381 0.000 1.421 -331 H CA -2.130 53.690 56.048 -0.379 0.000 1.394 -331 H CB -0.528 28.927 29.762 -0.512 0.000 1.701 -331 H HN 0.133 nan 8.280 nan 0.000 0.515 -330 P HA 0.060 nan 4.420 nan 0.000 0.272 -330 P C 0.144 177.253 177.300 -0.319 0.000 1.223 -330 P CA -0.154 62.636 63.100 -0.516 0.000 0.784 -330 P CB 0.965 32.157 31.700 -0.848 0.000 0.923 -329 D N 1.492 121.757 120.400 -0.224 0.000 2.357 -329 D HA 0.038 4.678 4.640 0.000 0.000 0.242 -329 D C 0.342 176.560 176.300 -0.138 0.000 1.153 -329 D CA 0.029 53.950 54.000 -0.132 0.000 0.918 -329 D CB 0.364 41.109 40.800 -0.091 0.000 1.181 -329 D HN 0.327 nan 8.370 nan 0.000 0.435 -328 K N 0.593 120.943 120.400 -0.082 0.000 3.156 -328 K HA -0.233 4.087 4.320 0.000 0.000 0.266 -328 K C 1.052 177.563 176.600 -0.147 0.000 0.966 -328 K CA -0.270 55.963 56.287 -0.090 0.000 0.719 -328 K CB -0.797 31.663 32.500 -0.068 0.000 1.333 -328 K HN 0.285 nan 8.250 nan 0.000 0.468 -327 L N 1.946 123.072 121.223 -0.160 0.000 2.013 -327 L HA -0.233 4.108 4.340 0.000 0.000 0.212 -327 L C 2.465 179.229 176.870 -0.177 0.000 1.073 -327 L CA 2.550 57.288 54.840 -0.170 0.000 0.753 -327 L CB -0.302 41.745 42.059 -0.020 0.000 0.890 -327 L HN 0.474 nan 8.230 nan 0.000 0.432 -326 E N -0.632 119.267 120.200 -0.502 0.000 2.418 -326 E HA -0.199 4.151 4.350 0.000 0.000 0.197 -326 E C 1.468 177.973 176.600 -0.159 0.000 1.026 -326 E CA 1.340 57.408 56.400 -0.554 0.000 0.862 -326 E CB -0.266 28.628 29.700 -1.343 0.000 0.799 -326 E HN 0.760 nan 8.360 nan 0.000 0.518 -325 E N 0.454 120.581 120.200 -0.123 0.000 2.330 -325 E HA 0.082 4.432 4.350 0.000 0.000 0.200 -325 E C 1.816 178.403 176.600 -0.022 0.000 0.922 -325 E CA 0.044 56.417 56.400 -0.044 0.000 0.935 -325 E CB 0.229 29.901 29.700 -0.048 0.000 0.917 -325 E HN 0.054 nan 8.360 nan 0.000 0.491 -324 K N 0.622 121.014 120.400 -0.013 0.000 2.148 -324 K HA -0.112 4.209 4.320 0.000 0.000 0.204 -324 K C 1.770 178.472 176.600 0.171 0.000 1.050 -324 K CA 0.741 57.053 56.287 0.041 0.000 0.942 -324 K CB -0.046 32.429 32.500 -0.041 0.000 0.724 -324 K HN 0.018 nan 8.250 nan 0.000 0.446 -323 F N 2.054 122.034 119.950 0.051 0.000 2.102 -323 F HA -0.056 4.471 4.527 0.000 0.000 0.298 -323 F C -1.355 174.290 175.800 -0.259 0.000 1.105 -323 F CA 0.694 58.659 58.000 -0.057 0.000 1.239 -323 F CB -0.765 38.078 39.000 -0.262 0.000 0.991 -323 F HN 0.058 nan 8.300 nan 0.000 0.474 -322 P HA -0.123 nan 4.420 nan 0.000 0.218 -322 P C 1.415 178.520 177.300 -0.324 0.000 1.152 -322 P CA 1.548 64.338 63.100 -0.516 0.000 0.826 -322 P CB -0.174 31.415 31.700 -0.186 0.000 0.790 -321 Q N -0.082 119.606 119.800 -0.187 0.000 2.029 -321 Q HA -0.175 4.165 4.340 0.000 0.000 0.209 -321 Q C 2.174 178.082 176.000 -0.154 0.000 0.999 -321 Q CA 2.622 58.349 55.803 -0.127 0.000 0.857 -321 Q CB -1.022 27.675 28.738 -0.068 0.000 0.926 -321 Q HN 0.228 nan 8.270 nan 0.000 0.415 -320 V N -2.599 117.222 119.914 -0.154 0.000 2.488 -320 V HA 0.001 4.121 4.120 0.000 0.000 0.246 -320 V C 2.088 178.018 176.094 -0.272 0.000 1.046 -320 V CA 1.419 63.632 62.300 -0.144 0.000 1.053 -320 V CB -1.087 30.726 31.823 -0.016 0.000 0.679 -320 V HN 0.327 nan 8.190 nan 0.000 0.458 -319 A N 1.178 123.696 122.820 -0.503 0.000 1.883 -319 A HA -0.058 4.262 4.320 0.000 0.000 0.217 -319 A C 2.586 179.941 177.584 -0.383 0.000 1.186 -319 A CA 2.815 54.485 52.037 -0.611 0.000 0.624 -319 A CB -1.363 16.893 19.000 -1.239 0.000 0.822 -319 A HN 1.140 nan 8.150 nan 0.000 0.444 -318 A N -0.502 122.117 122.820 -0.335 0.000 2.009 -318 A HA -0.218 4.102 4.320 0.000 0.000 0.222 -318 A C 2.265 179.760 177.584 -0.148 0.000 1.175 -318 A CA 2.751 54.666 52.037 -0.204 0.000 0.651 -318 A CB -1.341 17.565 19.000 -0.156 0.000 0.815 -318 A HN 1.015 nan 8.150 nan 0.000 0.459 -317 T N -4.939 109.526 114.554 -0.148 0.000 3.086 -317 T HA 0.428 4.778 4.350 0.000 0.000 0.250 -317 T C 1.186 175.826 174.700 -0.100 0.000 1.074 -317 T CA 1.002 63.039 62.100 -0.104 0.000 0.988 -317 T CB 0.047 68.865 68.868 -0.083 0.000 0.988 -317 T HN 1.876 nan 8.240 nan 0.000 0.530 -316 G N 0.610 109.333 108.800 -0.127 0.000 2.142 -316 G HA2 -0.153 3.807 3.960 0.000 0.000 0.225 -316 G HA3 -0.153 3.807 3.960 0.000 0.000 0.225 -316 G C -0.389 174.440 174.900 -0.117 0.000 1.015 -316 G CA 0.055 45.088 45.100 -0.111 0.000 0.716 -316 G HN 0.792 nan 8.290 nan 0.000 0.508 -315 D N -1.681 118.629 120.400 -0.149 0.000 2.614 -315 D HA 0.772 5.412 4.640 0.000 0.000 0.264 -315 D C 0.815 176.984 176.300 -0.218 0.000 1.092 -315 D CA 1.240 55.154 54.000 -0.143 0.000 1.071 -315 D CB 1.278 42.019 40.800 -0.098 0.000 1.443 -315 D HN 1.430 nan 8.370 nan 0.000 0.528 -314 G N -0.028 108.637 108.800 -0.225 0.000 2.512 -314 G HA2 -0.040 3.920 3.960 0.000 0.000 0.210 -314 G HA3 -0.040 3.920 3.960 0.000 0.000 0.210 -314 G C -2.569 171.993 174.900 -0.564 0.000 1.295 -314 G CA -0.428 44.402 45.100 -0.449 0.000 0.934 -314 G HN 0.566 nan 8.290 nan 0.000 0.554 -313 P HA 0.298 nan 4.420 nan 0.000 0.274 -313 P C 0.105 177.171 177.300 -0.389 0.000 1.231 -313 P CA -0.054 62.573 63.100 -0.789 0.000 0.790 -313 P CB 0.890 31.883 31.700 -1.180 0.000 0.951 -312 D N 0.798 121.028 120.400 -0.282 0.000 2.097 -312 D HA -0.015 4.626 4.640 0.000 0.000 0.197 -312 D C 0.736 176.927 176.300 -0.182 0.000 0.984 -312 D CA 1.518 55.402 54.000 -0.192 0.000 0.826 -312 D CB 0.259 40.953 40.800 -0.177 0.000 0.973 -312 D HN 0.379 nan 8.370 nan 0.000 0.460 -311 I N 0.908 121.352 120.570 -0.209 0.000 2.545 -311 I HA 0.346 4.516 4.170 0.000 0.000 0.292 -311 I C -0.499 175.482 176.117 -0.227 0.000 1.040 -311 I CA -0.695 60.490 61.300 -0.191 0.000 1.068 -311 I CB 3.218 41.140 38.000 -0.130 0.000 1.251 -311 I HN -0.149 nan 8.210 nan 0.000 0.424 -310 I N 5.177 125.544 120.570 -0.340 0.000 2.509 -310 I HA 0.465 4.635 4.170 0.000 0.000 0.293 -310 I C -1.594 174.411 176.117 -0.188 0.000 1.020 -310 I CA -0.564 60.543 61.300 -0.322 0.000 1.088 -310 I CB 1.918 39.380 38.000 -0.896 0.000 1.267 -310 I HN 0.401 nan 8.210 nan 0.000 0.430 -309 F N 7.767 127.826 119.950 0.182 0.000 2.411 -309 F HA 0.512 5.039 4.527 0.000 0.000 0.352 -309 F C -0.416 175.654 175.800 0.449 0.000 1.123 -309 F CA -0.091 58.083 58.000 0.291 0.000 1.044 -309 F CB 1.186 40.300 39.000 0.189 0.000 1.135 -309 F HN 0.426 nan 8.300 nan 0.000 0.461 -308 W N 2.068 123.607 121.300 0.398 0.000 3.057 -308 W HA 0.584 5.244 4.660 0.000 0.000 0.328 -308 W C -1.325 175.292 176.519 0.164 0.000 1.232 -308 W CA -1.301 56.216 57.345 0.287 0.000 1.187 -308 W CB 1.428 31.104 29.460 0.360 0.000 1.417 -308 W HN 0.580 nan 8.180 nan 0.000 0.569 -307 A N 2.611 125.287 122.820 -0.240 0.000 2.520 -307 A HA -0.000 4.320 4.320 0.000 0.000 0.235 -307 A C 1.358 178.992 177.584 0.083 0.000 1.065 -307 A CA 0.991 52.955 52.037 -0.121 0.000 0.764 -307 A CB -0.149 18.668 19.000 -0.305 0.000 1.002 -307 A HN 0.751 nan 8.150 nan 0.000 0.502 -306 H N 1.613 120.596 119.070 -0.146 0.000 2.521 -306 H HA -0.137 4.420 4.556 0.000 0.000 0.286 -306 H C 0.977 176.318 175.328 0.022 0.000 1.034 -306 H CA 1.294 57.158 56.048 -0.307 0.000 1.278 -306 H CB -0.329 29.274 29.762 -0.266 0.000 1.386 -306 H HN 0.834 nan 8.280 nan 0.000 0.567 -305 D N 1.827 121.956 120.400 -0.451 0.000 2.263 -305 D HA -0.183 4.457 4.640 0.000 0.000 0.208 -305 D C 1.555 177.822 176.300 -0.055 0.000 0.971 -305 D CA 0.559 54.391 54.000 -0.281 0.000 0.867 -305 D CB -0.365 40.302 40.800 -0.222 0.000 0.929 -305 D HN 0.418 nan 8.370 nan 0.000 0.492 -304 R N -1.200 119.317 120.500 0.027 0.000 2.362 -304 R HA 0.156 4.496 4.340 0.000 0.000 0.227 -304 R C 1.260 177.136 176.300 -0.707 0.000 0.905 -304 R CA -0.286 55.614 56.100 -0.333 0.000 1.067 -304 R CB -0.060 29.949 30.300 -0.485 0.000 1.078 -304 R HN 0.131 nan 8.270 nan 0.000 0.516 -303 F N 0.828 120.512 119.950 -0.443 0.000 2.234 -303 F HA 0.077 4.605 4.527 0.000 0.000 0.296 -303 F C 2.532 178.124 175.800 -0.346 0.000 1.089 -303 F CA 1.082 58.915 58.000 -0.277 0.000 1.343 -303 F CB -0.910 38.079 39.000 -0.018 0.000 1.040 -303 F HN 0.083 nan 8.300 nan 0.000 0.498 -302 G N 0.255 108.915 108.800 -0.234 0.000 2.599 -302 G HA2 -0.310 3.650 3.960 0.000 0.000 0.219 -302 G HA3 -0.310 3.650 3.960 0.000 0.000 0.219 -302 G C 2.118 176.622 174.900 -0.660 0.000 1.193 -302 G CA 1.181 45.869 45.100 -0.686 0.000 0.778 -302 G HN 0.511 nan 8.290 nan 0.000 0.589 -301 G N -0.191 108.366 108.800 -0.404 0.000 2.469 -301 G HA2 -0.240 3.720 3.960 0.000 0.000 0.219 -301 G HA3 -0.240 3.720 3.960 0.000 0.000 0.219 -301 G C 1.654 176.479 174.900 -0.124 0.000 1.150 -301 G CA 1.316 46.256 45.100 -0.266 0.000 0.763 -301 G HN 0.470 nan 8.290 nan 0.000 0.561 -300 Y N 0.915 121.141 120.300 -0.124 0.000 2.263 -300 Y HA 0.259 4.810 4.550 0.000 0.000 0.292 -300 Y C 2.983 178.842 175.900 -0.069 0.000 1.130 -300 Y CA -0.090 57.961 58.100 -0.081 0.000 1.179 -300 Y CB -0.990 37.441 38.460 -0.047 0.000 0.998 -300 Y HN 0.270 nan 8.280 nan 0.000 0.532 -299 A N -0.294 122.539 122.820 0.021 0.000 1.930 -299 A HA -0.167 4.153 4.320 0.000 0.000 0.215 -299 A C 2.170 179.823 177.584 0.114 0.000 1.176 -299 A CA 1.427 53.503 52.037 0.066 0.000 0.632 -299 A CB -0.576 18.466 19.000 0.071 0.000 0.819 -299 A HN 0.341 nan 8.150 nan 0.000 0.445 -298 Q N 0.694 120.515 119.800 0.036 0.000 2.096 -298 Q HA -0.106 4.235 4.340 0.000 0.000 0.204 -298 Q C 1.903 177.965 176.000 0.103 0.000 0.982 -298 Q CA 2.328 58.232 55.803 0.169 0.000 0.850 -298 Q CB -0.590 28.211 28.738 0.105 0.000 0.901 -298 Q HN 0.501 nan 8.270 nan 0.000 0.422 -297 S N -0.812 114.924 115.700 0.061 0.000 2.561 -297 S HA 0.184 4.655 4.470 0.000 0.000 0.225 -297 S C 0.995 175.612 174.600 0.030 0.000 0.977 -297 S CA 0.611 58.835 58.200 0.040 0.000 0.926 -297 S CB -0.255 62.959 63.200 0.022 0.000 0.769 -297 S HN 0.706 nan 8.310 nan 0.000 0.533 -296 G N 1.242 110.075 108.800 0.054 0.000 2.198 -296 G HA2 -0.237 3.723 3.960 0.000 0.000 0.257 -296 G HA3 -0.237 3.723 3.960 0.000 0.000 0.257 -296 G C 0.417 175.326 174.900 0.014 0.000 1.042 -296 G CA 0.374 45.500 45.100 0.044 0.000 0.791 -296 G HN 0.525 nan 8.290 nan 0.000 0.502 -295 L N -1.302 119.929 121.223 0.013 0.000 2.590 -295 L HA 0.417 4.758 4.340 0.000 0.000 0.227 -295 L C 1.292 178.184 176.870 0.037 0.000 1.099 -295 L CA 0.133 54.946 54.840 -0.044 0.000 0.872 -295 L CB 0.158 42.111 42.059 -0.177 0.000 1.088 -295 L HN 0.201 nan 8.230 nan 0.000 0.479 -294 L N 0.604 121.880 121.223 0.088 0.000 2.307 -294 L HA 0.572 4.912 4.340 0.000 0.000 0.284 -294 L C 0.324 177.243 176.870 0.082 0.000 1.023 -294 L CA -0.583 54.318 54.840 0.100 0.000 0.810 -294 L CB 1.674 43.811 42.059 0.130 0.000 1.231 -294 L HN -0.048 nan 8.230 nan 0.000 0.423 -293 A N 2.839 125.699 122.820 0.067 0.000 2.388 -293 A HA 0.172 4.493 4.320 0.000 0.000 0.257 -293 A C 0.114 177.741 177.584 0.072 0.000 1.095 -293 A CA -0.313 51.759 52.037 0.060 0.000 0.791 -293 A CB 0.331 19.359 19.000 0.047 0.000 1.029 -293 A HN 0.776 nan 8.150 nan 0.000 0.489 -292 E N 1.726 121.963 120.200 0.063 0.000 2.351 -292 E HA 0.261 4.611 4.350 0.000 0.000 0.266 -292 E C -0.160 176.464 176.600 0.040 0.000 1.031 -292 E CA -0.204 56.230 56.400 0.056 0.000 0.911 -292 E CB 0.214 29.942 29.700 0.047 0.000 0.986 -292 E HN 0.571 nan 8.360 nan 0.000 0.446 -291 I N 1.933 122.512 120.570 0.015 0.000 2.532 -291 I HA 0.318 4.488 4.170 0.000 0.000 0.292 -291 I C -0.143 175.952 176.117 -0.035 0.000 1.014 -291 I CA -0.420 60.869 61.300 -0.018 0.000 1.340 -291 I CB 1.564 39.439 38.000 -0.209 0.000 1.422 -291 I HN 0.333 nan 8.210 nan 0.000 0.528 -290 T N 2.810 117.363 114.554 -0.002 0.000 3.317 -290 T HA 0.487 4.837 4.350 0.000 0.000 0.361 -290 T C -2.360 172.335 174.700 -0.009 0.000 1.499 -290 T CA -1.220 60.867 62.100 -0.021 0.000 1.529 -290 T CB 0.096 68.961 68.868 -0.005 0.000 0.997 -290 T HN 0.579 nan 8.240 nan 0.000 0.624 -289 P HA 0.362 nan 4.420 nan 0.000 0.278 -289 P C -0.375 176.915 177.300 -0.016 0.000 1.238 -289 P CA -0.263 62.844 63.100 0.011 0.000 0.794 -289 P CB 0.908 32.691 31.700 0.138 0.000 0.955 -288 D N 1.127 121.545 120.400 0.030 0.000 2.398 -288 D HA 0.064 4.704 4.640 0.000 0.000 0.247 -288 D C 1.138 177.458 176.300 0.033 0.000 1.227 -288 D CA -0.406 53.608 54.000 0.023 0.000 0.980 -288 D CB 0.594 41.415 40.800 0.035 0.000 1.106 -288 D HN 0.002 nan 8.370 nan 0.000 0.493 -287 K N 0.272 120.676 120.400 0.006 0.000 2.009 -287 K HA -0.144 4.176 4.320 0.000 0.000 0.210 -287 K C 2.018 178.636 176.600 0.031 0.000 1.049 -287 K CA 1.795 58.077 56.287 -0.009 0.000 0.929 -287 K CB -1.177 31.315 32.500 -0.014 0.000 0.714 -287 K HN 0.598 nan 8.250 nan 0.000 0.440 -286 A N -0.077 122.779 122.820 0.060 0.000 1.997 -286 A HA -0.214 4.106 4.320 0.000 0.000 0.221 -286 A C 2.225 179.882 177.584 0.120 0.000 1.172 -286 A CA 1.784 53.867 52.037 0.076 0.000 0.645 -286 A CB -0.789 18.260 19.000 0.082 0.000 0.813 -286 A HN 0.422 nan 8.150 nan 0.000 0.454 -285 F N -0.050 119.922 119.950 0.037 0.000 2.416 -285 F HA -0.025 4.503 4.527 0.000 0.000 0.296 -285 F C 2.445 178.340 175.800 0.157 0.000 1.099 -285 F CA 1.435 59.495 58.000 0.100 0.000 1.427 -285 F CB -0.016 39.065 39.000 0.136 0.000 1.079 -285 F HN 0.292 nan 8.300 nan 0.000 0.536 -284 Q N -0.345 119.539 119.800 0.139 0.000 2.245 -284 Q HA -0.138 4.203 4.340 0.000 0.000 0.201 -284 Q C 1.269 177.324 176.000 0.091 0.000 0.955 -284 Q CA 1.159 56.978 55.803 0.026 0.000 0.870 -284 Q CB -0.094 28.420 28.738 -0.373 0.000 0.945 -284 Q HN 0.352 nan 8.270 nan 0.000 0.461 -283 D N 0.946 121.355 120.400 0.015 0.000 2.264 -283 D HA -0.089 4.551 4.640 0.000 0.000 0.208 -283 D C 1.300 177.562 176.300 -0.063 0.000 0.966 -283 D CA 0.897 54.893 54.000 -0.008 0.000 0.864 -283 D CB 0.075 40.866 40.800 -0.014 0.000 0.933 -283 D HN 0.178 nan 8.370 nan 0.000 0.499 -282 K N -0.170 120.160 120.400 -0.117 0.000 2.288 -282 K HA 0.047 4.368 4.320 0.000 0.000 0.201 -282 K C 0.742 177.196 176.600 -0.243 0.000 1.048 -282 K CA 0.481 56.637 56.287 -0.219 0.000 0.956 -282 K CB 0.409 32.681 32.500 -0.381 0.000 0.746 -282 K HN 0.146 nan 8.250 nan 0.000 0.461 -281 L N 0.215 121.365 121.223 -0.123 0.000 2.319 -281 L HA 0.338 4.678 4.340 0.000 0.000 0.267 -281 L C -0.364 176.433 176.870 -0.121 0.000 1.011 -281 L CA -1.379 53.362 54.840 -0.166 0.000 0.818 -281 L CB 0.707 42.662 42.059 -0.174 0.000 1.316 -281 L HN -0.086 nan 8.230 nan 0.000 0.432 -280 Y N 1.232 121.473 120.300 -0.099 0.000 2.620 -280 Y HA 0.027 4.577 4.550 0.000 0.000 0.330 -280 Y C -1.382 174.502 175.900 -0.028 0.000 1.186 -280 Y CA -1.093 56.972 58.100 -0.057 0.000 1.467 -280 Y CB -0.085 38.289 38.460 -0.143 0.000 1.262 -280 Y HN 0.440 nan 8.280 nan 0.000 0.550 -279 P HA -0.297 nan 4.420 nan 0.000 0.217 -279 P C 1.450 178.891 177.300 0.235 0.000 1.158 -279 P CA 1.931 65.212 63.100 0.301 0.000 0.887 -279 P CB -0.174 31.681 31.700 0.258 0.000 0.792 -278 F N -0.480 119.561 119.950 0.151 0.000 2.546 -278 F HA -0.080 4.447 4.527 0.000 0.000 0.298 -278 F C 1.688 177.494 175.800 0.010 0.000 1.120 -278 F CA 1.462 59.505 58.000 0.070 0.000 1.456 -278 F CB -1.964 37.052 39.000 0.026 0.000 1.088 -278 F HN -0.071 nan 8.300 nan 0.000 0.572 -277 T N -3.852 110.254 114.554 -0.746 0.000 3.009 -277 T HA -0.090 4.261 4.350 0.000 0.000 0.258 -277 T C 1.542 175.982 174.700 -0.434 0.000 1.063 -277 T CA 0.667 62.343 62.100 -0.707 0.000 1.139 -277 T CB -1.067 67.320 68.868 -0.802 0.000 0.890 -277 T HN 0.525 nan 8.240 nan 0.000 0.471 -276 W N 2.341 123.554 121.300 -0.144 0.000 2.363 -276 W HA 0.022 4.683 4.660 0.000 0.000 0.296 -276 W C 2.155 178.647 176.519 -0.046 0.000 1.212 -276 W CA 0.523 57.825 57.345 -0.071 0.000 1.260 -276 W CB -0.261 29.182 29.460 -0.030 0.000 1.131 -276 W HN 0.202 nan 8.180 nan 0.000 0.530 -275 D N 0.290 120.794 120.400 0.173 0.000 2.106 -275 D HA -0.232 4.408 4.640 0.000 0.000 0.191 -275 D C 2.208 178.555 176.300 0.077 0.000 0.997 -275 D CA 2.112 56.195 54.000 0.139 0.000 0.834 -275 D CB -0.962 39.928 40.800 0.150 0.000 0.956 -275 D HN 0.154 nan 8.370 nan 0.000 0.448 -274 A N 0.698 123.483 122.820 -0.058 0.000 2.019 -274 A HA -0.121 4.200 4.320 0.000 0.000 0.219 -274 A C 2.160 179.684 177.584 -0.101 0.000 1.164 -274 A CA 1.568 53.470 52.037 -0.226 0.000 0.644 -274 A CB -0.423 18.159 19.000 -0.698 0.000 0.805 -274 A HN 0.260 nan 8.150 nan 0.000 0.449 -273 V N -2.884 117.003 119.914 -0.044 0.000 3.421 -273 V HA 0.350 4.471 4.120 0.000 0.000 0.316 -273 V C 0.508 176.697 176.094 0.159 0.000 1.347 -273 V CA -0.125 62.195 62.300 0.034 0.000 1.183 -273 V CB -1.033 30.771 31.823 -0.033 0.000 1.092 -273 V HN 0.413 nan 8.190 nan 0.000 0.433 -272 R N 0.649 121.258 120.500 0.182 0.000 2.346 -272 R HA 0.522 4.862 4.340 0.000 0.000 0.311 -272 R C -1.757 174.711 176.300 0.279 0.000 0.983 -272 R CA -0.770 55.453 56.100 0.205 0.000 0.880 -272 R CB 1.369 31.769 30.300 0.166 0.000 1.100 -272 R HN 0.450 nan 8.270 nan 0.000 0.453 -271 Y N 4.337 124.699 120.300 0.103 0.000 2.332 -271 Y HA 0.197 4.747 4.550 0.000 0.000 0.325 -271 Y C -0.828 175.116 175.900 0.073 0.000 1.054 -271 Y CA -1.025 57.132 58.100 0.096 0.000 1.119 -271 Y CB 1.054 39.579 38.460 0.107 0.000 1.168 -271 Y HN 0.979 nan 8.280 nan 0.000 0.439 -270 N N 3.878 122.378 118.700 -0.335 0.000 2.740 -270 N HA -0.211 4.529 4.740 0.000 0.000 0.248 -270 N C 0.887 176.351 175.510 -0.076 0.000 1.062 -270 N CA 1.034 53.941 53.050 -0.240 0.000 0.704 -270 N CB -0.971 37.333 38.487 -0.306 0.000 0.968 -270 N HN 1.294 nan 8.380 nan 0.000 0.547 -269 G N -1.025 107.763 108.800 -0.019 0.000 2.175 -269 G HA2 -0.395 3.565 3.960 0.000 0.000 0.265 -269 G HA3 -0.395 3.565 3.960 0.000 0.000 0.265 -269 G C -0.013 174.901 174.900 0.024 0.000 0.979 -269 G CA 0.948 46.054 45.100 0.010 0.000 0.663 -269 G HN 0.490 nan 8.290 nan 0.000 0.533 -268 K N 0.013 120.440 120.400 0.046 0.000 2.206 -268 K HA 0.565 4.886 4.320 0.000 0.000 0.264 -268 K C 0.499 177.159 176.600 0.100 0.000 0.967 -268 K CA -0.838 55.486 56.287 0.061 0.000 0.844 -268 K CB 1.477 34.019 32.500 0.070 0.000 1.099 -268 K HN 0.145 nan 8.250 nan 0.000 0.441 -267 L N 5.124 126.388 121.223 0.068 0.000 2.418 -267 L HA 0.074 4.414 4.340 0.000 0.000 0.274 -267 L C 1.000 177.930 176.870 0.099 0.000 1.135 -267 L CA -0.046 54.852 54.840 0.096 0.000 0.870 -267 L CB 0.039 42.120 42.059 0.037 0.000 1.154 -267 L HN 0.674 nan 8.230 nan 0.000 0.462 -266 I N 0.363 121.023 120.570 0.150 0.000 4.082 -266 I HA 0.614 4.784 4.170 0.000 0.000 0.337 -266 I C 0.475 176.708 176.117 0.194 0.000 1.352 -266 I CA 0.003 61.408 61.300 0.175 0.000 1.097 -266 I CB 0.327 38.470 38.000 0.238 0.000 1.048 -266 I HN 0.456 nan 8.210 nan 0.000 0.393 -265 A N -0.516 122.370 122.820 0.110 0.000 2.566 -265 A HA 0.686 5.006 4.320 0.000 0.000 0.290 -265 A C -1.945 175.575 177.584 -0.107 0.000 1.071 -265 A CA -0.584 51.499 52.037 0.078 0.000 0.658 -265 A CB 0.258 19.394 19.000 0.227 0.000 1.285 -265 A HN 0.091 nan 8.150 nan 0.000 0.427 -264 Y N 0.586 120.925 120.300 0.064 0.000 2.313 -264 Y HA 0.459 5.010 4.550 0.000 0.000 0.332 -264 Y C -2.153 173.634 175.900 -0.189 0.000 1.071 -264 Y CA -1.683 56.407 58.100 -0.017 0.000 1.169 -264 Y CB 0.918 39.426 38.460 0.080 0.000 1.192 -264 Y HN 0.367 nan 8.280 nan 0.000 0.487 -263 P HA 0.097 nan 4.420 nan 0.000 0.275 -263 P C -0.002 177.230 177.300 -0.113 0.000 1.227 -263 P CA 0.177 63.094 63.100 -0.305 0.000 0.781 -263 P CB 1.083 32.427 31.700 -0.594 0.000 0.906 -262 I N 0.564 121.114 120.570 -0.034 0.000 3.570 -262 I HA 0.415 4.585 4.170 0.000 0.000 0.270 -262 I C 0.763 176.897 176.117 0.029 0.000 1.162 -262 I CA 0.321 61.657 61.300 0.060 0.000 1.413 -262 I CB -0.677 37.439 38.000 0.194 0.000 1.437 -262 I HN 0.294 nan 8.210 nan 0.000 0.457 -261 A N 0.670 123.495 122.820 0.008 0.000 2.605 -261 A HA 0.638 4.958 4.320 0.000 0.000 0.294 -261 A C -1.335 176.259 177.584 0.018 0.000 1.062 -261 A CA -0.360 51.690 52.037 0.021 0.000 0.682 -261 A CB 1.433 20.462 19.000 0.048 0.000 1.278 -261 A HN -0.161 nan 8.150 nan 0.000 0.410 -260 V N 2.002 121.940 119.914 0.041 0.000 2.439 -260 V HA 0.526 4.647 4.120 0.000 0.000 0.282 -260 V C -0.123 176.028 176.094 0.095 0.000 1.039 -260 V CA -0.197 62.155 62.300 0.088 0.000 0.913 -260 V CB 1.215 33.123 31.823 0.141 0.000 0.983 -260 V HN 0.932 nan 8.190 nan 0.000 0.460 -259 E N 4.008 124.289 120.200 0.136 0.000 2.248 -259 E HA 0.867 5.217 4.350 0.000 0.000 0.267 -259 E C -0.881 175.848 176.600 0.216 0.000 0.877 -259 E CA -0.993 55.511 56.400 0.173 0.000 0.759 -259 E CB 2.593 32.468 29.700 0.292 0.000 1.182 -259 E HN 0.699 nan 8.360 nan 0.000 0.418 -258 A N 3.269 126.188 122.820 0.165 0.000 2.549 -258 A HA 0.509 4.829 4.320 0.000 0.000 0.297 -258 A C -0.795 176.847 177.584 0.096 0.000 1.061 -258 A CA -0.871 51.271 52.037 0.175 0.000 0.690 -258 A CB 1.026 20.106 19.000 0.133 0.000 1.287 -258 A HN 0.621 nan 8.150 nan 0.000 0.402 -257 L N 1.319 122.588 121.223 0.076 0.000 2.467 -257 L HA 0.424 4.764 4.340 0.000 0.000 0.270 -257 L C 0.612 177.494 176.870 0.019 0.000 1.205 -257 L CA 0.188 55.034 54.840 0.009 0.000 0.828 -257 L CB 1.079 43.105 42.059 -0.056 0.000 1.101 -257 L HN 0.737 nan 8.230 nan 0.000 0.479 -256 S N 1.278 116.994 115.700 0.027 0.000 2.667 -256 S HA 0.543 5.013 4.470 0.000 0.000 0.292 -256 S C -0.996 173.610 174.600 0.009 0.000 1.126 -256 S CA -0.664 57.562 58.200 0.042 0.000 0.881 -256 S CB 2.014 65.280 63.200 0.111 0.000 1.132 -256 S HN 0.372 nan 8.310 nan 0.000 0.492 -255 L N 2.337 123.552 121.223 -0.014 0.000 2.319 -255 L HA 0.560 4.900 4.340 0.000 0.000 0.280 -255 L C -1.298 175.602 176.870 0.050 0.000 1.099 -255 L CA 0.321 55.137 54.840 -0.041 0.000 0.828 -255 L CB -0.129 41.863 42.059 -0.111 0.000 1.150 -255 L HN 0.523 nan 8.230 nan 0.000 0.442 -254 I N 6.287 126.860 120.570 0.004 0.000 2.433 -254 I HA 0.434 4.605 4.170 0.000 0.000 0.292 -254 I C -1.109 175.048 176.117 0.067 0.000 1.001 -254 I CA -0.776 60.522 61.300 -0.004 0.000 1.119 -254 I CB 1.504 39.364 38.000 -0.234 0.000 1.289 -254 I HN 0.649 nan 8.210 nan 0.000 0.438 -253 Y N 4.065 124.439 120.300 0.124 0.000 2.571 -253 Y HA 0.516 5.066 4.550 0.000 0.000 0.341 -253 Y C -1.255 174.881 175.900 0.392 0.000 1.076 -253 Y CA -1.382 56.896 58.100 0.295 0.000 1.029 -253 Y CB 1.118 39.644 38.460 0.109 0.000 1.308 -253 Y HN 0.465 nan 8.280 nan 0.000 0.461 -252 N N 2.662 121.533 118.700 0.285 0.000 2.439 -252 N HA 0.189 4.930 4.740 0.000 0.000 0.249 -252 N C -0.053 175.461 175.510 0.006 0.000 1.003 -252 N CA -0.202 52.859 53.050 0.019 0.000 0.942 -252 N CB 1.345 39.743 38.487 -0.149 0.000 1.115 -252 N HN 0.916 nan 8.380 nan 0.000 0.505 -251 K N 1.702 122.037 120.400 -0.109 0.000 2.365 -251 K HA -0.034 4.286 4.320 0.000 0.000 0.199 -251 K C 0.215 176.821 176.600 0.010 0.000 1.045 -251 K CA 0.847 57.113 56.287 -0.036 0.000 0.962 -251 K CB 0.461 32.895 32.500 -0.111 0.000 0.759 -251 K HN 0.502 nan 8.250 nan 0.000 0.469 -250 D N 0.291 120.680 120.400 -0.018 0.000 2.240 -250 D HA -0.012 4.628 4.640 0.000 0.000 0.206 -250 D C 1.676 177.974 176.300 -0.003 0.000 0.963 -250 D CA 0.730 54.720 54.000 -0.016 0.000 0.863 -250 D CB 0.237 41.015 40.800 -0.037 0.000 0.973 -250 D HN 0.123 nan 8.370 nan 0.000 0.501 -249 L N -0.382 120.841 121.223 0.002 0.000 2.307 -249 L HA 0.159 4.499 4.340 0.000 0.000 0.211 -249 L C 0.734 177.633 176.870 0.049 0.000 1.099 -249 L CA 0.482 55.330 54.840 0.013 0.000 0.816 -249 L CB 0.597 42.654 42.059 -0.002 0.000 0.952 -249 L HN -0.106 nan 8.230 nan 0.000 0.455 -248 L N 0.149 121.433 121.223 0.100 0.000 2.489 -248 L HA 0.224 4.565 4.340 0.000 0.000 0.257 -248 L C -1.913 175.065 176.870 0.180 0.000 1.215 -248 L CA -1.123 53.792 54.840 0.124 0.000 0.915 -248 L CB 1.968 44.124 42.059 0.161 0.000 1.146 -248 L HN -0.172 nan 8.230 nan 0.000 0.494 -247 P HA -0.058 nan 4.420 nan 0.000 0.218 -247 P C -0.057 177.299 177.300 0.094 0.000 1.149 -247 P CA 1.121 64.291 63.100 0.118 0.000 0.817 -247 P CB 0.231 31.961 31.700 0.050 0.000 0.785 -246 N N 0.144 118.847 118.700 0.004 0.000 2.706 -246 N HA 0.207 4.947 4.740 0.000 0.000 0.240 -246 N C -2.584 172.818 175.510 -0.180 0.000 1.039 -246 N CA -1.558 51.438 53.050 -0.089 0.000 0.888 -246 N CB 0.623 39.073 38.487 -0.062 0.000 1.128 -246 N HN 0.144 nan 8.380 nan 0.000 0.512 -245 P HA 0.127 nan 4.420 nan 0.000 0.267 -245 P C -2.490 174.636 177.300 -0.290 0.000 1.200 -245 P CA -0.693 62.137 63.100 -0.450 0.000 0.772 -245 P CB -0.026 31.119 31.700 -0.926 0.000 0.855 -244 P HA 0.120 nan 4.420 nan 0.000 0.271 -244 P C 0.598 177.780 177.300 -0.195 0.000 1.218 -244 P CA -0.188 62.807 63.100 -0.175 0.000 0.780 -244 P CB 0.860 32.469 31.700 -0.150 0.000 0.901 -243 K N 0.393 120.707 120.400 -0.144 0.000 2.155 -243 K HA 0.027 4.347 4.320 0.000 0.000 0.203 -243 K C 1.145 177.671 176.600 -0.122 0.000 1.052 -243 K CA 1.160 57.369 56.287 -0.129 0.000 0.948 -243 K CB -0.514 31.932 32.500 -0.090 0.000 0.728 -243 K HN 0.703 nan 8.250 nan 0.000 0.448 -242 T N -4.169 110.324 114.554 -0.102 0.000 2.887 -242 T HA 0.277 4.627 4.350 0.000 0.000 0.288 -242 T C 0.618 175.296 174.700 -0.036 0.000 1.021 -242 T CA -0.881 61.194 62.100 -0.042 0.000 1.000 -242 T CB 1.042 69.914 68.868 0.007 0.000 1.034 -242 T HN 0.134 nan 8.240 nan 0.000 0.467 -241 W N 0.953 122.229 121.300 -0.040 0.000 2.363 -241 W HA 0.028 4.688 4.660 0.000 0.000 0.296 -241 W C 2.087 178.651 176.519 0.074 0.000 1.212 -241 W CA 1.119 58.439 57.345 -0.041 0.000 1.260 -241 W CB -0.232 29.063 29.460 -0.275 0.000 1.131 -241 W HN 0.808 nan 8.180 nan 0.000 0.530 -240 E N 0.087 120.428 120.200 0.235 0.000 2.160 -240 E HA -0.212 4.138 4.350 0.000 0.000 0.195 -240 E C 1.626 178.365 176.600 0.232 0.000 0.991 -240 E CA 1.460 58.035 56.400 0.292 0.000 0.810 -240 E CB -0.459 29.335 29.700 0.157 0.000 0.742 -240 E HN 0.355 nan 8.360 nan 0.000 0.466 -239 E N -0.087 120.188 120.200 0.126 0.000 2.265 -239 E HA -0.142 4.208 4.350 0.000 0.000 0.196 -239 E C 1.800 178.430 176.600 0.049 0.000 0.996 -239 E CA 0.457 56.891 56.400 0.057 0.000 0.832 -239 E CB -0.088 29.611 29.700 -0.001 0.000 0.756 -239 E HN 0.298 nan 8.360 nan 0.000 0.491 -238 I N 0.739 121.369 120.570 0.101 0.000 2.226 -238 I HA -0.194 3.977 4.170 0.000 0.000 0.245 -238 I C -0.951 175.128 176.117 -0.065 0.000 1.100 -238 I CA 0.867 62.199 61.300 0.055 0.000 1.374 -238 I CB -0.802 37.283 38.000 0.141 0.000 1.057 -238 I HN 0.059 nan 8.210 nan 0.000 0.413 -237 P HA -0.241 nan 4.420 nan 0.000 0.215 -237 P C 1.468 178.571 177.300 -0.329 0.000 1.157 -237 P CA 2.102 64.909 63.100 -0.488 0.000 0.874 -237 P CB -0.047 31.524 31.700 -0.216 0.000 0.790 -236 A N -1.277 121.482 122.820 -0.101 0.000 1.969 -236 A HA -0.139 4.181 4.320 0.000 0.000 0.218 -236 A C 2.068 179.635 177.584 -0.029 0.000 1.169 -236 A CA 1.187 53.204 52.037 -0.033 0.000 0.635 -236 A CB -1.462 17.540 19.000 0.003 0.000 0.810 -236 A HN 0.146 nan 8.150 nan 0.000 0.445 -235 L N -0.115 121.083 121.223 -0.042 0.000 2.240 -235 L HA -0.006 4.334 4.340 0.000 0.000 0.211 -235 L C 1.677 178.542 176.870 -0.007 0.000 1.106 -235 L CA 2.355 57.183 54.840 -0.019 0.000 0.793 -235 L CB -0.522 41.525 42.059 -0.020 0.000 0.927 -235 L HN 0.450 nan 8.230 nan 0.000 0.446 -234 D N -0.890 119.491 120.400 -0.032 0.000 2.162 -234 D HA -0.185 4.455 4.640 0.000 0.000 0.203 -234 D C 2.201 178.547 176.300 0.077 0.000 0.967 -234 D CA 0.966 54.983 54.000 0.028 0.000 0.840 -234 D CB 0.083 40.900 40.800 0.029 0.000 0.972 -234 D HN 0.183 nan 8.370 nan 0.000 0.482 -233 K N 0.239 120.681 120.400 0.070 0.000 2.009 -233 K HA -0.203 4.117 4.320 0.000 0.000 0.210 -233 K C 1.933 178.566 176.600 0.055 0.000 1.049 -233 K CA 1.659 58.003 56.287 0.094 0.000 0.929 -233 K CB -0.054 32.501 32.500 0.091 0.000 0.714 -233 K HN 0.305 nan 8.250 nan 0.000 0.440 -232 E N 0.462 120.683 120.200 0.035 0.000 2.110 -232 E HA -0.197 4.153 4.350 0.000 0.000 0.193 -232 E C 2.115 178.730 176.600 0.025 0.000 0.988 -232 E CA 1.063 57.478 56.400 0.025 0.000 0.804 -232 E CB -0.123 29.587 29.700 0.016 0.000 0.745 -232 E HN 0.293 nan 8.360 nan 0.000 0.458 -231 L N 0.668 121.909 121.223 0.030 0.000 2.270 -231 L HA -0.052 4.288 4.340 0.000 0.000 0.210 -231 L C 2.280 179.169 176.870 0.031 0.000 1.104 -231 L CA 0.483 55.340 54.840 0.028 0.000 0.804 -231 L CB -0.096 41.982 42.059 0.032 0.000 0.937 -231 L HN -0.041 nan 8.230 nan 0.000 0.450 -230 K N 0.522 120.948 120.400 0.043 0.000 2.103 -230 K HA -0.099 4.221 4.320 0.000 0.000 0.207 -230 K C 2.141 178.756 176.600 0.025 0.000 1.048 -230 K CA 1.433 57.744 56.287 0.039 0.000 0.930 -230 K CB -0.442 32.089 32.500 0.052 0.000 0.716 -230 K HN 0.267 nan 8.250 nan 0.000 0.444 -229 A N 1.331 124.166 122.820 0.025 0.000 2.019 -229 A HA -0.144 4.176 4.320 0.000 0.000 0.219 -229 A C 1.571 179.161 177.584 0.011 0.000 1.164 -229 A CA 1.384 53.432 52.037 0.017 0.000 0.644 -229 A CB -0.182 18.828 19.000 0.017 0.000 0.805 -229 A HN 0.266 nan 8.150 nan 0.000 0.449 -228 K N -1.057 119.350 120.400 0.011 0.000 2.446 -228 K HA 0.317 4.637 4.320 0.000 0.000 0.203 -228 K C 0.730 177.332 176.600 0.003 0.000 1.027 -228 K CA 0.344 56.634 56.287 0.005 0.000 1.166 -228 K CB 0.043 32.544 32.500 0.003 0.000 0.869 -228 K HN 0.539 nan 8.250 nan 0.000 0.504 -227 G N 1.967 110.770 108.800 0.006 0.000 2.221 -227 G HA2 -0.268 3.692 3.960 0.000 0.000 0.265 -227 G HA3 -0.268 3.692 3.960 0.000 0.000 0.265 -227 G C -0.164 174.737 174.900 0.002 0.000 1.041 -227 G CA 0.450 45.552 45.100 0.003 0.000 0.807 -227 G HN 0.186 nan 8.290 nan 0.000 0.502 -226 K N -1.101 119.304 120.400 0.009 0.000 2.283 -226 K HA 0.817 5.137 4.320 0.000 0.000 0.257 -226 K C -0.457 176.158 176.600 0.026 0.000 1.066 -226 K CA -0.184 56.108 56.287 0.009 0.000 0.891 -226 K CB 1.843 34.344 32.500 0.002 0.000 1.438 -226 K HN 0.518 nan 8.250 nan 0.000 0.464 -225 S N -1.060 114.661 115.700 0.035 0.000 2.546 -225 S HA 0.536 5.006 4.470 0.000 0.000 0.274 -225 S C 0.307 174.952 174.600 0.075 0.000 1.121 -225 S CA -0.016 58.219 58.200 0.059 0.000 0.887 -225 S CB 1.738 64.975 63.200 0.061 0.000 1.094 -225 S HN 0.615 nan 8.310 nan 0.000 0.474 -224 A N 2.408 125.278 122.820 0.085 0.000 1.898 -224 A HA 0.373 4.693 4.320 0.000 0.000 0.216 -224 A C 0.627 178.285 177.584 0.124 0.000 1.181 -224 A CA 1.387 53.475 52.037 0.085 0.000 0.620 -224 A CB -0.523 18.514 19.000 0.061 0.000 0.819 -224 A HN 1.352 nan 8.150 nan 0.000 0.442 -223 L N -1.678 119.637 121.223 0.154 0.000 2.641 -223 L HA 0.644 4.984 4.340 0.000 0.000 0.261 -223 L C -1.457 175.554 176.870 0.235 0.000 0.926 -223 L CA -0.118 54.851 54.840 0.214 0.000 0.917 -223 L CB 1.613 43.809 42.059 0.228 0.000 1.361 -223 L HN 0.262 nan 8.230 nan 0.000 0.417 -222 M N 6.162 125.916 119.600 0.257 0.000 2.267 -222 M HA 0.663 5.143 4.480 0.000 0.000 0.289 -222 M C -1.439 175.014 176.300 0.255 0.000 1.043 -222 M CA -0.424 54.975 55.300 0.165 0.000 0.928 -222 M CB 1.940 34.594 32.600 0.090 0.000 1.613 -222 M HN 0.603 nan 8.290 nan 0.000 0.450 -221 F N 0.198 120.163 119.950 0.026 0.000 2.745 -221 F HA 0.600 5.127 4.527 0.000 0.000 0.316 -221 F C -0.846 174.899 175.800 -0.093 0.000 1.155 -221 F CA -1.375 56.604 58.000 -0.036 0.000 0.937 -221 F CB 0.851 39.900 39.000 0.081 0.000 1.361 -221 F HN 0.447 nan 8.300 nan 0.000 0.472 -220 N N 1.506 120.094 118.700 -0.186 0.000 2.416 -220 N HA 0.185 4.925 4.740 0.000 0.000 0.265 -220 N C 0.048 175.447 175.510 -0.186 0.000 1.195 -220 N CA 0.016 52.879 53.050 -0.312 0.000 0.943 -220 N CB 0.474 38.604 38.487 -0.595 0.000 1.115 -220 N HN 0.808 nan 8.380 nan 0.000 0.481 -219 L N 2.072 123.172 121.223 -0.204 0.000 2.592 -219 L HA 0.103 4.443 4.340 0.000 0.000 0.227 -219 L C 1.277 178.154 176.870 0.011 0.000 1.127 -219 L CA 0.221 54.990 54.840 -0.118 0.000 0.884 -219 L CB 0.050 41.996 42.059 -0.189 0.000 1.065 -219 L HN 0.476 nan 8.230 nan 0.000 0.457 -218 Q N -0.323 119.489 119.800 0.020 0.000 2.360 -218 Q HA 0.178 4.518 4.340 0.000 0.000 0.202 -218 Q C -0.029 176.037 176.000 0.110 0.000 0.915 -218 Q CA 0.469 56.300 55.803 0.046 0.000 0.943 -218 Q CB 0.736 29.489 28.738 0.025 0.000 1.064 -218 Q HN 0.255 nan 8.270 nan 0.000 0.511 -217 E N 1.135 121.463 120.200 0.213 0.000 2.216 -217 E HA 0.196 4.546 4.350 0.000 0.000 0.260 -217 E C -1.967 174.903 176.600 0.450 0.000 0.880 -217 E CA -1.886 54.707 56.400 0.321 0.000 0.765 -217 E CB 2.246 32.202 29.700 0.426 0.000 1.174 -217 E HN -0.131 nan 8.360 nan 0.000 0.417 -216 P HA -0.156 nan 4.420 nan 0.000 0.226 -216 P C 1.291 178.947 177.300 0.594 0.000 1.153 -216 P CA 0.661 64.035 63.100 0.457 0.000 0.777 -216 P CB 0.166 32.148 31.700 0.469 0.000 0.794 -215 Y N 0.244 120.686 120.300 0.237 0.000 2.315 -215 Y HA -0.178 4.372 4.550 0.000 0.000 0.288 -215 Y C 1.736 177.747 175.900 0.185 0.000 1.154 -215 Y CA 1.567 59.724 58.100 0.095 0.000 1.229 -215 Y CB -0.871 37.408 38.460 -0.301 0.000 0.980 -215 Y HN -0.199 nan 8.280 nan 0.000 0.540 -214 F N -1.387 118.780 119.950 0.362 0.000 2.619 -214 F HA -0.011 4.516 4.527 0.000 0.000 0.293 -214 F C 2.245 178.222 175.800 0.294 0.000 1.119 -214 F CA 1.178 59.366 58.000 0.314 0.000 1.445 -214 F CB -0.253 39.065 39.000 0.531 0.000 1.119 -214 F HN -0.009 nan 8.300 nan 0.000 0.573 -213 T N -3.241 111.634 114.554 0.535 0.000 3.037 -213 T HA -0.118 4.233 4.350 0.000 0.000 0.251 -213 T C 1.830 176.672 174.700 0.237 0.000 1.079 -213 T CA -0.165 62.163 62.100 0.378 0.000 1.067 -213 T CB -0.577 68.502 68.868 0.351 0.000 0.948 -213 T HN 0.454 nan 8.240 nan 0.000 0.496 -212 W N 3.306 124.691 121.300 0.142 0.000 2.317 -212 W HA -0.119 4.542 4.660 0.000 0.000 0.318 -212 W C -1.591 174.909 176.519 -0.031 0.000 1.227 -212 W CA 1.519 58.919 57.345 0.092 0.000 1.269 -212 W CB -1.167 28.433 29.460 0.232 0.000 1.155 -212 W HN 0.229 nan 8.180 nan 0.000 0.484 -211 P HA -0.211 nan 4.420 nan 0.000 0.220 -211 P C 1.653 178.805 177.300 -0.248 0.000 1.144 -211 P CA 1.600 64.607 63.100 -0.155 0.000 0.800 -211 P CB -0.500 31.192 31.700 -0.014 0.000 0.772 -210 L N -1.386 119.655 121.223 -0.303 0.000 2.253 -210 L HA 0.136 4.476 4.340 0.000 0.000 0.205 -210 L C 2.222 178.788 176.870 -0.506 0.000 1.078 -210 L CA 1.241 55.775 54.840 -0.511 0.000 0.805 -210 L CB -1.035 40.511 42.059 -0.855 0.000 0.963 -210 L HN -0.229 nan 8.230 nan 0.000 0.459 -209 I N 0.284 120.568 120.570 -0.476 0.000 2.493 -209 I HA -0.195 3.975 4.170 0.000 0.000 0.254 -209 I C 2.386 178.132 176.117 -0.618 0.000 1.160 -209 I CA 1.126 62.139 61.300 -0.479 0.000 1.445 -209 I CB -0.473 37.272 38.000 -0.424 0.000 1.086 -209 I HN 0.375 nan 8.210 nan 0.000 0.433 -208 A N 0.376 122.690 122.820 -0.844 0.000 2.081 -208 A HA 0.193 4.513 4.320 0.000 0.000 0.214 -208 A C 2.515 179.897 177.584 -0.336 0.000 1.158 -208 A CA 0.914 52.503 52.037 -0.746 0.000 0.724 -208 A CB -0.442 17.975 19.000 -0.972 0.000 0.826 -208 A HN 0.347 nan 8.150 nan 0.000 0.463 -207 A N 0.227 122.900 122.820 -0.244 0.000 1.927 -207 A HA -0.232 4.088 4.320 0.000 0.000 0.220 -207 A C 1.549 179.116 177.584 -0.030 0.000 1.185 -207 A CA 2.193 54.189 52.037 -0.070 0.000 0.639 -207 A CB -0.365 18.667 19.000 0.055 0.000 0.820 -207 A HN 0.467 nan 8.150 nan 0.000 0.451 -206 D N -3.280 117.113 120.400 -0.011 0.000 2.696 -206 D HA 0.400 5.040 4.640 0.000 0.000 0.269 -206 D C 0.625 176.904 176.300 -0.034 0.000 1.319 -206 D CA 0.773 54.752 54.000 -0.034 0.000 0.826 -206 D CB -0.198 40.570 40.800 -0.053 0.000 1.086 -206 D HN 0.576 nan 8.370 nan 0.000 0.481 -205 G N -0.778 107.998 108.800 -0.039 0.000 2.192 -205 G HA2 -0.086 3.874 3.960 0.000 0.000 0.193 -205 G HA3 -0.086 3.874 3.960 0.000 0.000 0.193 -205 G C 0.711 175.642 174.900 0.051 0.000 0.999 -205 G CA -0.295 44.816 45.100 0.019 0.000 0.659 -205 G HN 0.617 nan 8.290 nan 0.000 0.503 -204 G N 0.092 108.839 108.800 -0.088 0.000 2.483 -204 G HA2 0.693 4.653 3.960 0.000 0.000 0.248 -204 G HA3 0.693 4.653 3.960 0.000 0.000 0.248 -204 G C -0.302 174.592 174.900 -0.011 0.000 1.248 -204 G CA 0.390 45.399 45.100 -0.152 0.000 0.838 -204 G HN 1.583 nan 8.290 nan 0.000 0.566 -203 Y N -1.644 118.715 120.300 0.098 0.000 2.638 -203 Y HA 0.733 5.283 4.550 0.000 0.000 0.335 -203 Y C 0.549 176.616 175.900 0.277 0.000 1.155 -203 Y CA -0.834 57.416 58.100 0.251 0.000 1.046 -203 Y CB 0.659 39.207 38.460 0.146 0.000 1.303 -203 Y HN 0.729 nan 8.280 nan 0.000 0.460 -202 A N 1.453 124.433 122.820 0.268 0.000 2.260 -202 A HA 0.374 4.695 4.320 0.000 0.000 0.208 -202 A C -0.459 176.853 177.584 -0.453 0.000 1.588 -202 A CA 0.734 52.435 52.037 -0.560 0.000 0.600 -202 A CB -0.600 17.780 19.000 -1.033 0.000 1.142 -202 A HN 0.563 nan 8.150 nan 0.000 0.494 -201 F N -0.438 119.599 119.950 0.146 0.000 2.458 -201 F HA 0.536 5.063 4.527 0.000 0.000 0.336 -201 F C 0.186 176.250 175.800 0.439 0.000 1.114 -201 F CA -1.011 57.161 58.000 0.287 0.000 0.987 -201 F CB 1.396 40.464 39.000 0.113 0.000 1.130 -201 F HN 0.116 nan 8.300 nan 0.000 0.458 -200 K N 2.618 123.329 120.400 0.520 0.000 2.447 -200 K HA 0.005 4.325 4.320 0.000 0.000 0.281 -200 K C -1.227 175.516 176.600 0.237 0.000 1.031 -200 K CA 0.177 56.555 56.287 0.152 0.000 1.019 -200 K CB -0.126 32.389 32.500 0.026 0.000 0.918 -200 K HN 0.554 nan 8.250 nan 0.000 0.476 -199 Y N 3.323 123.657 120.300 0.056 0.000 2.359 -199 Y HA 0.182 4.733 4.550 0.000 0.000 0.334 -199 Y C -0.486 175.351 175.900 -0.104 0.000 1.058 -199 Y CA 0.332 58.359 58.100 -0.122 0.000 1.244 -199 Y CB 0.733 39.091 38.460 -0.170 0.000 1.187 -199 Y HN 0.653 nan 8.280 nan 0.000 0.510 -198 E N 5.708 125.625 120.200 -0.472 0.000 2.317 -198 E HA 0.155 4.506 4.350 0.000 0.000 0.270 -198 E C -1.337 175.047 176.600 -0.359 0.000 0.899 -198 E CA -0.819 55.421 56.400 -0.267 0.000 0.814 -198 E CB 0.645 30.270 29.700 -0.126 0.000 1.296 -198 E HN 0.794 nan 8.360 nan 0.000 0.404 -197 N N 2.389 120.953 118.700 -0.226 0.000 2.614 -197 N HA -0.279 4.461 4.740 0.000 0.000 0.276 -197 N C 0.648 176.007 175.510 -0.253 0.000 1.119 -197 N CA 1.159 54.121 53.050 -0.148 0.000 0.742 -197 N CB -1.646 36.791 38.487 -0.082 0.000 0.900 -197 N HN 0.970 nan 8.380 nan 0.000 0.549 -196 G N -1.179 107.447 108.800 -0.290 0.000 2.328 -196 G HA2 -0.402 3.558 3.960 0.000 0.000 0.256 -196 G HA3 -0.402 3.558 3.960 0.000 0.000 0.256 -196 G C 0.095 174.693 174.900 -0.502 0.000 1.014 -196 G CA 1.208 46.184 45.100 -0.208 0.000 0.620 -196 G HN 0.822 nan 8.290 nan 0.000 0.530 -195 K N 0.098 120.056 120.400 -0.738 0.000 2.345 -195 K HA 0.674 4.995 4.320 0.000 0.000 0.255 -195 K C -0.855 175.382 176.600 -0.606 0.000 0.934 -195 K CA -1.017 54.973 56.287 -0.495 0.000 0.801 -195 K CB 0.663 33.012 32.500 -0.252 0.000 1.137 -195 K HN 0.127 nan 8.250 nan 0.000 0.424 -194 Y N 1.473 121.654 120.300 -0.200 0.000 2.359 -194 Y HA 0.138 4.688 4.550 0.000 0.000 0.334 -194 Y C 0.339 176.200 175.900 -0.064 0.000 1.058 -194 Y CA -0.206 57.853 58.100 -0.069 0.000 1.244 -194 Y CB 0.816 39.278 38.460 0.003 0.000 1.187 -194 Y HN 0.474 nan 8.280 nan 0.000 0.510 -193 D N 4.291 124.791 120.400 0.167 0.000 2.347 -193 D HA 0.112 4.752 4.640 0.000 0.000 0.235 -193 D C 0.854 177.265 176.300 0.186 0.000 1.149 -193 D CA -0.234 53.842 54.000 0.126 0.000 0.850 -193 D CB 0.527 41.398 40.800 0.117 0.000 1.061 -193 D HN 0.606 nan 8.370 nan 0.000 0.487 -192 I N 0.494 121.090 120.570 0.042 0.000 3.444 -192 I HA 0.055 4.225 4.170 0.000 0.000 0.287 -192 I C 1.170 177.395 176.117 0.179 0.000 1.302 -192 I CA 0.333 61.629 61.300 -0.007 0.000 1.368 -192 I CB 0.078 37.961 38.000 -0.195 0.000 1.048 -192 I HN 0.031 nan 8.210 nan 0.000 0.487 -191 K N 0.607 121.102 120.400 0.158 0.000 2.393 -191 K HA 0.081 4.402 4.320 0.000 0.000 0.193 -191 K C -0.016 176.698 176.600 0.189 0.000 1.026 -191 K CA 0.169 56.547 56.287 0.151 0.000 1.064 -191 K CB 0.225 32.785 32.500 0.100 0.000 0.833 -191 K HN 0.196 nan 8.250 nan 0.000 0.521 -190 D N 1.106 121.663 120.400 0.262 0.000 2.404 -190 D HA 0.127 4.767 4.640 0.000 0.000 0.267 -190 D C -1.152 175.375 176.300 0.378 0.000 1.194 -190 D CA -0.342 53.828 54.000 0.283 0.000 0.910 -190 D CB 0.807 41.766 40.800 0.264 0.000 1.090 -190 D HN -0.283 nan 8.370 nan 0.000 0.511 -189 V N 1.615 121.658 119.914 0.215 0.000 2.743 -189 V HA 0.705 4.825 4.120 0.000 0.000 0.301 -189 V C 1.308 177.238 176.094 -0.273 0.000 1.057 -189 V CA -0.487 61.820 62.300 0.011 0.000 1.006 -189 V CB 1.993 33.821 31.823 0.009 0.000 1.024 -189 V HN 0.624 nan 8.190 nan 0.000 0.473 -188 G N 1.930 110.292 108.800 -0.729 0.000 4.757 -188 G HA2 0.371 4.332 3.960 0.000 0.000 0.303 -188 G HA3 0.371 4.332 3.960 0.000 0.000 0.303 -188 G C 0.188 174.801 174.900 -0.479 0.000 1.318 -188 G CA 0.033 44.361 45.100 -1.286 0.000 1.020 -188 G HN 0.496 nan 8.290 nan 0.000 0.589 -187 V N -0.512 119.285 119.914 -0.194 0.000 3.621 -187 V HA 0.103 4.223 4.120 0.000 0.000 0.263 -187 V C 1.287 177.361 176.094 -0.033 0.000 1.272 -187 V CA 1.152 63.440 62.300 -0.020 0.000 1.080 -187 V CB 1.053 32.908 31.823 0.053 0.000 0.816 -187 V HN 0.424 nan 8.190 nan 0.000 0.451 -186 D N 0.199 120.566 120.400 -0.055 0.000 2.535 -186 D HA 0.092 4.732 4.640 0.000 0.000 0.229 -186 D C 0.612 176.896 176.300 -0.027 0.000 1.238 -186 D CA -0.163 53.822 54.000 -0.026 0.000 0.824 -186 D CB 0.026 40.822 40.800 -0.007 0.000 1.045 -186 D HN 0.584 nan 8.370 nan 0.000 0.500 -185 N N -0.451 118.219 118.700 -0.049 0.000 2.327 -185 N HA 0.225 4.965 4.740 0.000 0.000 0.257 -185 N C 1.321 176.827 175.510 -0.008 0.000 1.281 -185 N CA 0.163 53.201 53.050 -0.020 0.000 0.942 -185 N CB 0.382 38.864 38.487 -0.008 0.000 1.199 -185 N HN -0.130 nan 8.380 nan 0.000 0.532 -184 A N -0.618 122.205 122.820 0.006 0.000 1.972 -184 A HA 0.028 4.349 4.320 0.000 0.000 0.219 -184 A C 2.038 179.626 177.584 0.007 0.000 1.169 -184 A CA 1.738 53.780 52.037 0.008 0.000 0.635 -184 A CB -1.661 17.344 19.000 0.008 0.000 0.810 -184 A HN 0.811 nan 8.150 nan 0.000 0.446 -183 G N -0.391 108.409 108.800 -0.000 0.000 2.421 -183 G HA2 -0.006 3.955 3.960 0.000 0.000 0.216 -183 G HA3 -0.006 3.955 3.960 0.000 0.000 0.216 -183 G C 1.777 176.667 174.900 -0.016 0.000 1.171 -183 G CA 1.453 46.550 45.100 -0.004 0.000 0.775 -183 G HN 0.784 nan 8.290 nan 0.000 0.543 -182 A N 0.808 123.594 122.820 -0.057 0.000 1.908 -182 A HA -0.035 4.285 4.320 0.000 0.000 0.218 -182 A C 2.305 179.866 177.584 -0.039 0.000 1.181 -182 A CA 2.013 53.998 52.037 -0.088 0.000 0.627 -182 A CB -0.388 18.562 19.000 -0.083 0.000 0.818 -182 A HN 0.372 nan 8.150 nan 0.000 0.445 -181 K N -0.438 119.958 120.400 -0.008 0.000 2.063 -181 K HA -0.117 4.203 4.320 0.000 0.000 0.208 -181 K C 2.323 178.949 176.600 0.043 0.000 1.048 -181 K CA 1.191 57.486 56.287 0.013 0.000 0.928 -181 K CB -0.325 32.186 32.500 0.018 0.000 0.713 -181 K HN 0.469 nan 8.250 nan 0.000 0.442 -180 A N 1.200 124.070 122.820 0.084 0.000 1.873 -180 A HA -0.061 4.259 4.320 0.000 0.000 0.215 -180 A C 2.416 180.145 177.584 0.242 0.000 1.186 -180 A CA 1.839 53.997 52.037 0.201 0.000 0.616 -180 A CB -1.170 17.961 19.000 0.219 0.000 0.823 -180 A HN 0.411 nan 8.150 nan 0.000 0.442 -179 G N -0.038 108.819 108.800 0.096 0.000 2.480 -179 G HA2 -0.196 3.764 3.960 0.000 0.000 0.216 -179 G HA3 -0.196 3.764 3.960 0.000 0.000 0.216 -179 G C 1.507 176.250 174.900 -0.262 0.000 1.200 -179 G CA 1.304 46.214 45.100 -0.316 0.000 0.782 -179 G HN 0.447 nan 8.290 nan 0.000 0.554 -178 L N 0.795 121.942 121.223 -0.126 0.000 2.012 -178 L HA -0.024 4.316 4.340 0.000 0.000 0.210 -178 L C 3.016 179.863 176.870 -0.038 0.000 1.073 -178 L CA 2.600 57.395 54.840 -0.076 0.000 0.748 -178 L CB -1.030 41.007 42.059 -0.036 0.000 0.891 -178 L HN 0.225 nan 8.230 nan 0.000 0.431 -177 T N -0.718 113.840 114.554 0.006 0.000 2.720 -177 T HA -0.253 4.097 4.350 0.000 0.000 0.268 -177 T C 1.658 176.381 174.700 0.039 0.000 1.037 -177 T CA 1.894 64.013 62.100 0.032 0.000 1.144 -177 T CB -0.548 68.363 68.868 0.072 0.000 0.864 -177 T HN 0.396 nan 8.240 nan 0.000 0.444 -176 F N 1.455 121.348 119.950 -0.096 0.000 2.126 -176 F HA -0.065 4.463 4.527 0.000 0.000 0.299 -176 F C 1.946 177.665 175.800 -0.134 0.000 1.096 -176 F CA 0.880 58.810 58.000 -0.116 0.000 1.255 -176 F CB -0.392 38.428 39.000 -0.299 0.000 0.997 -176 F HN 0.075 nan 8.300 nan 0.000 0.479 -175 L N -0.344 120.823 121.223 -0.093 0.000 2.056 -175 L HA -0.097 4.243 4.340 0.000 0.000 0.207 -175 L C 2.107 178.912 176.870 -0.108 0.000 1.078 -175 L CA 1.513 56.287 54.840 -0.110 0.000 0.749 -175 L CB -0.880 41.133 42.059 -0.078 0.000 0.901 -175 L HN 0.022 nan 8.230 nan 0.000 0.433 -174 V N -0.002 119.860 119.914 -0.085 0.000 2.515 -174 V HA -0.228 3.892 4.120 0.000 0.000 0.250 -174 V C 2.115 178.155 176.094 -0.091 0.000 1.058 -174 V CA 1.791 64.050 62.300 -0.068 0.000 1.064 -174 V CB -0.746 31.052 31.823 -0.043 0.000 0.675 -174 V HN 0.477 nan 8.190 nan 0.000 0.461 -173 D N -0.025 120.294 120.400 -0.135 0.000 2.178 -173 D HA -0.090 4.550 4.640 0.000 0.000 0.202 -173 D C 2.116 178.331 176.300 -0.141 0.000 0.974 -173 D CA 0.956 54.872 54.000 -0.140 0.000 0.841 -173 D CB -0.136 40.571 40.800 -0.156 0.000 0.953 -173 D HN 0.341 nan 8.370 nan 0.000 0.478 -172 L N 0.459 121.565 121.223 -0.195 0.000 2.079 -172 L HA -0.144 4.196 4.340 0.000 0.000 0.210 -172 L C 2.410 179.270 176.870 -0.015 0.000 1.081 -172 L CA 0.780 55.589 54.840 -0.051 0.000 0.752 -172 L CB -0.225 41.812 42.059 -0.036 0.000 0.896 -172 L HN 0.051 nan 8.230 nan 0.000 0.433 -171 I N -0.738 119.799 120.570 -0.055 0.000 2.277 -171 I HA -0.237 3.933 4.170 0.000 0.000 0.243 -171 I C 2.487 178.558 176.117 -0.076 0.000 1.094 -171 I CA 1.053 62.319 61.300 -0.058 0.000 1.393 -171 I CB -0.361 37.606 38.000 -0.056 0.000 1.078 -171 I HN 0.155 nan 8.210 nan 0.000 0.417 -170 K N 1.259 121.614 120.400 -0.075 0.000 2.089 -170 K HA -0.203 4.117 4.320 0.000 0.000 0.210 -170 K C 1.361 177.898 176.600 -0.105 0.000 1.048 -170 K CA 2.016 58.258 56.287 -0.075 0.000 0.926 -170 K CB -0.309 32.155 32.500 -0.060 0.000 0.714 -170 K HN 0.452 nan 8.250 nan 0.000 0.448 -169 N N 0.280 118.894 118.700 -0.143 0.000 2.383 -169 N HA 0.025 4.765 4.740 0.000 0.000 0.192 -169 N C -0.583 174.654 175.510 -0.455 0.000 1.141 -169 N CA 0.034 52.925 53.050 -0.265 0.000 0.851 -169 N CB 0.349 38.692 38.487 -0.240 0.000 0.976 -169 N HN 0.067 nan 8.380 nan 0.000 0.465 -168 K N -0.505 119.733 120.400 -0.271 0.000 3.341 -168 K HA -0.204 4.116 4.320 0.000 0.000 0.305 -168 K C -0.240 176.247 176.600 -0.188 0.000 1.270 -168 K CA 0.466 56.633 56.287 -0.201 0.000 0.897 -168 K CB -1.496 30.904 32.500 -0.167 0.000 1.264 -168 K HN 0.489 nan 8.250 nan 0.000 0.468 -167 H N -0.678 118.382 119.070 -0.017 0.000 2.547 -167 H HA 0.181 4.737 4.556 0.000 0.000 0.272 -167 H C 0.898 176.234 175.328 0.012 0.000 0.989 -167 H CA 0.876 56.926 56.048 0.004 0.000 1.214 -167 H CB 0.207 29.974 29.762 0.009 0.000 1.389 -167 H HN 0.275 nan 8.280 nan 0.000 0.577 -166 M N -0.094 119.550 119.600 0.074 0.000 2.578 -166 M HA 0.210 4.690 4.480 0.000 0.000 0.276 -166 M C -0.719 175.563 176.300 -0.029 0.000 1.245 -166 M CA -0.689 54.623 55.300 0.021 0.000 0.871 -166 M CB 3.020 35.625 32.600 0.009 0.000 1.722 -166 M HN -0.139 nan 8.290 nan 0.000 0.473 -165 N N 0.412 119.082 118.700 -0.050 0.000 2.400 -165 N HA 0.501 5.241 4.740 0.000 0.000 0.288 -165 N C 0.235 175.698 175.510 -0.077 0.000 1.024 -165 N CA 0.116 53.132 53.050 -0.057 0.000 0.894 -165 N CB 2.169 40.628 38.487 -0.046 0.000 1.173 -165 N HN 0.834 nan 8.380 nan 0.000 0.487 -164 A N 3.195 125.975 122.820 -0.066 0.000 1.978 -164 A HA -0.165 4.155 4.320 0.000 0.000 0.220 -164 A C 1.437 178.983 177.584 -0.064 0.000 1.170 -164 A CA 1.497 53.495 52.037 -0.066 0.000 0.636 -164 A CB -0.212 18.758 19.000 -0.049 0.000 0.810 -164 A HN 0.735 nan 8.150 nan 0.000 0.448 -163 D N -0.075 120.292 120.400 -0.054 0.000 2.178 -163 D HA -0.034 4.606 4.640 0.000 0.000 0.201 -163 D C 0.581 176.846 176.300 -0.057 0.000 0.980 -163 D CA 1.089 55.061 54.000 -0.046 0.000 0.842 -163 D CB -0.645 40.134 40.800 -0.035 0.000 0.948 -163 D HN 0.347 nan 8.370 nan 0.000 0.472 -162 T N 2.219 116.725 114.554 -0.080 0.000 2.819 -162 T HA 0.116 4.466 4.350 0.000 0.000 0.282 -162 T C 0.112 174.748 174.700 -0.107 0.000 1.013 -162 T CA 0.192 62.234 62.100 -0.098 0.000 1.159 -162 T CB 0.304 69.090 68.868 -0.138 0.000 1.007 -162 T HN 0.234 nan 8.240 nan 0.000 0.514 -161 D N 1.278 121.634 120.400 -0.073 0.000 2.714 -161 D HA 0.174 4.815 4.640 0.000 0.000 0.278 -161 D C 0.892 177.172 176.300 -0.033 0.000 1.102 -161 D CA -1.071 52.903 54.000 -0.043 0.000 1.108 -161 D CB 0.123 40.927 40.800 0.006 0.000 1.444 -161 D HN 0.317 nan 8.370 nan 0.000 0.568 -160 Y N 0.450 120.692 120.300 -0.097 0.000 2.081 -160 Y HA -0.254 4.296 4.550 0.000 0.000 0.280 -160 Y C 2.556 178.449 175.900 -0.012 0.000 1.163 -160 Y CA 3.463 61.516 58.100 -0.079 0.000 1.135 -160 Y CB -0.149 38.290 38.460 -0.035 0.000 0.970 -160 Y HN 0.457 nan 8.280 nan 0.000 0.498 -159 S N -0.544 115.219 115.700 0.105 0.000 2.414 -159 S HA -0.141 4.329 4.470 0.000 0.000 0.227 -159 S C 1.937 176.526 174.600 -0.018 0.000 1.022 -159 S CA 1.217 59.450 58.200 0.055 0.000 0.958 -159 S CB -0.950 62.319 63.200 0.115 0.000 0.797 -159 S HN 0.521 nan 8.310 nan 0.000 0.493 -158 I N 2.426 122.984 120.570 -0.021 0.000 2.226 -158 I HA -0.149 4.021 4.170 0.000 0.000 0.245 -158 I C 3.104 179.194 176.117 -0.043 0.000 1.100 -158 I CA 1.226 62.510 61.300 -0.026 0.000 1.374 -158 I CB -0.688 37.297 38.000 -0.026 0.000 1.057 -158 I HN 0.437 nan 8.210 nan 0.000 0.413 -157 A N 0.306 123.072 122.820 -0.091 0.000 1.858 -157 A HA -0.271 4.049 4.320 0.000 0.000 0.216 -157 A C 2.333 179.875 177.584 -0.071 0.000 1.190 -157 A CA 1.970 53.959 52.037 -0.081 0.000 0.617 -157 A CB -0.729 18.196 19.000 -0.125 0.000 0.827 -157 A HN 0.485 nan 8.150 nan 0.000 0.443 -156 E N -0.164 119.921 120.200 -0.192 0.000 2.038 -156 E HA -0.183 4.167 4.350 0.000 0.000 0.195 -156 E C 2.204 178.811 176.600 0.011 0.000 1.000 -156 E CA 1.270 57.590 56.400 -0.133 0.000 0.803 -156 E CB -0.302 29.263 29.700 -0.224 0.000 0.750 -156 E HN 0.513 nan 8.360 nan 0.000 0.448 -155 A N 1.260 124.080 122.820 -0.000 0.000 1.883 -155 A HA -0.192 4.128 4.320 0.000 0.000 0.217 -155 A C 2.432 180.033 177.584 0.029 0.000 1.186 -155 A CA 2.301 54.350 52.037 0.020 0.000 0.624 -155 A CB -1.002 18.005 19.000 0.012 0.000 0.822 -155 A HN 0.453 nan 8.150 nan 0.000 0.444 -154 A N -1.389 121.451 122.820 0.033 0.000 1.877 -154 A HA -0.074 4.247 4.320 0.000 0.000 0.216 -154 A C 2.103 179.713 177.584 0.043 0.000 1.186 -154 A CA 1.688 53.744 52.037 0.032 0.000 0.620 -154 A CB -0.779 18.244 19.000 0.039 0.000 0.822 -154 A HN 0.662 nan 8.150 nan 0.000 0.443 -153 F N 1.221 121.153 119.950 -0.031 0.000 2.102 -153 F HA -0.197 4.330 4.527 0.000 0.000 0.298 -153 F C 2.078 177.857 175.800 -0.035 0.000 1.105 -153 F CA 2.220 60.204 58.000 -0.026 0.000 1.239 -153 F CB -0.381 38.600 39.000 -0.032 0.000 0.991 -153 F HN 0.313 nan 8.300 nan 0.000 0.474 -152 N N -0.218 118.543 118.700 0.101 0.000 2.381 -152 N HA -0.130 4.610 4.740 0.000 0.000 0.182 -152 N C 1.178 176.651 175.510 -0.062 0.000 1.025 -152 N CA 0.612 53.677 53.050 0.025 0.000 0.888 -152 N CB -0.096 38.428 38.487 0.062 0.000 0.965 -152 N HN 0.362 nan 8.380 nan 0.000 0.438 -151 K N 0.268 120.629 120.400 -0.065 0.000 2.444 -151 K HA 0.082 4.402 4.320 0.000 0.000 0.193 -151 K C 0.733 177.266 176.600 -0.112 0.000 1.024 -151 K CA 0.178 56.423 56.287 -0.069 0.000 1.077 -151 K CB 0.541 33.018 32.500 -0.039 0.000 0.833 -151 K HN 0.154 nan 8.250 nan 0.000 0.517 -150 G N 2.329 111.009 108.800 -0.201 0.000 2.225 -150 G HA2 -0.265 3.695 3.960 0.000 0.000 0.264 -150 G HA3 -0.265 3.695 3.960 0.000 0.000 0.264 -150 G C 0.242 175.049 174.900 -0.155 0.000 1.060 -150 G CA 0.285 45.247 45.100 -0.230 0.000 0.833 -150 G HN 0.457 nan 8.290 nan 0.000 0.498 -149 E N -1.271 118.853 120.200 -0.127 0.000 2.389 -149 E HA 0.127 4.477 4.350 0.000 0.000 0.199 -149 E C 0.960 177.540 176.600 -0.033 0.000 0.978 -149 E CA 0.694 57.058 56.400 -0.060 0.000 0.912 -149 E CB 0.735 30.417 29.700 -0.030 0.000 0.907 -149 E HN 0.312 nan 8.360 nan 0.000 0.494 -148 T N -0.981 113.552 114.554 -0.036 0.000 2.893 -148 T HA 0.472 4.822 4.350 0.000 0.000 0.291 -148 T C 0.348 175.072 174.700 0.040 0.000 1.028 -148 T CA -0.198 61.932 62.100 0.050 0.000 0.995 -148 T CB 1.725 70.676 68.868 0.138 0.000 1.051 -148 T HN 0.013 nan 8.240 nan 0.000 0.470 -147 A N 4.121 127.004 122.820 0.106 0.000 2.016 -147 A HA 0.414 4.734 4.320 0.000 0.000 0.217 -147 A C 0.760 178.571 177.584 0.378 0.000 1.162 -147 A CA 0.798 52.919 52.037 0.140 0.000 0.662 -147 A CB -0.114 18.954 19.000 0.113 0.000 0.812 -147 A HN 0.720 nan 8.150 nan 0.000 0.450 -146 M N -1.709 118.140 119.600 0.415 0.000 2.484 -146 M HA 0.434 4.914 4.480 0.000 0.000 0.289 -146 M C -0.926 175.525 176.300 0.250 0.000 1.206 -146 M CA -0.175 55.344 55.300 0.365 0.000 0.892 -146 M CB 2.644 35.341 32.600 0.162 0.000 1.712 -146 M HN 0.057 nan 8.290 nan 0.000 0.462 -145 T N 1.748 116.283 114.554 -0.030 0.000 2.883 -145 T HA 0.744 5.094 4.350 0.000 0.000 0.301 -145 T C -1.792 172.854 174.700 -0.090 0.000 1.158 -145 T CA -0.518 61.542 62.100 -0.067 0.000 1.007 -145 T CB 1.419 70.114 68.868 -0.288 0.000 1.186 -145 T HN 0.559 nan 8.240 nan 0.000 0.499 -144 I N 4.227 124.807 120.570 0.017 0.000 2.355 -144 I HA 0.511 4.681 4.170 0.000 0.000 0.288 -144 I C 0.071 176.308 176.117 0.199 0.000 0.999 -144 I CA -0.569 60.741 61.300 0.016 0.000 1.163 -144 I CB 1.263 39.176 38.000 -0.144 0.000 1.316 -144 I HN 0.488 nan 8.210 nan 0.000 0.454 -143 N N 3.255 122.021 118.700 0.111 0.000 3.344 -143 N HA 0.601 5.341 4.740 0.000 0.000 0.296 -143 N C -0.733 174.680 175.510 -0.162 0.000 1.571 -143 N CA -0.380 52.762 53.050 0.152 0.000 0.844 -143 N CB 2.154 40.669 38.487 0.047 0.000 1.718 -143 N HN 0.575 nan 8.380 nan 0.000 0.589 -142 G N -0.202 108.152 108.800 -0.744 0.000 2.820 -142 G HA2 0.467 4.427 3.960 0.000 0.000 0.291 -142 G HA3 0.467 4.427 3.960 0.000 0.000 0.291 -142 G C -1.945 172.058 174.900 -1.495 0.000 1.323 -142 G CA -1.037 43.296 45.100 -1.278 0.000 1.055 -142 G HN 0.329 nan 8.290 nan 0.000 0.520 -141 P HA -0.141 nan 4.420 nan 0.000 0.216 -141 P C 1.476 178.051 177.300 -1.208 0.000 1.153 -141 P CA 2.011 63.965 63.100 -1.909 0.000 0.858 -141 P CB -0.050 30.960 31.700 -1.150 0.000 0.789 -140 W N -0.094 120.942 121.300 -0.440 0.000 2.350 -140 W HA -0.046 4.615 4.660 0.000 0.000 0.289 -140 W C 1.953 178.399 176.519 -0.120 0.000 1.215 -140 W CA 1.018 58.227 57.345 -0.226 0.000 1.236 -140 W CB -1.968 27.404 29.460 -0.146 0.000 1.130 -140 W HN -0.140 nan 8.180 nan 0.000 0.541 -139 A N 0.049 122.561 122.820 -0.513 0.000 2.167 -139 A HA -0.009 4.311 4.320 0.000 0.000 0.214 -139 A C 1.566 179.145 177.584 -0.008 0.000 1.151 -139 A CA 0.946 52.893 52.037 -0.151 0.000 0.735 -139 A CB -1.158 17.714 19.000 -0.213 0.000 0.802 -139 A HN 0.434 nan 8.150 nan 0.000 0.467 -138 W N -0.005 121.182 121.300 -0.187 0.000 2.402 -138 W HA -0.059 4.601 4.660 0.000 0.000 0.286 -138 W C 2.728 179.173 176.519 -0.124 0.000 1.221 -138 W CA 0.483 57.718 57.345 -0.184 0.000 1.257 -138 W CB -1.437 28.006 29.460 -0.028 0.000 1.120 -138 W HN 0.409 nan 8.180 nan 0.000 0.551 -137 S N 0.937 116.750 115.700 0.188 0.000 2.351 -137 S HA -0.207 4.263 4.470 0.000 0.000 0.220 -137 S C 1.752 176.392 174.600 0.067 0.000 1.035 -137 S CA 1.854 60.129 58.200 0.125 0.000 1.031 -137 S CB -0.460 62.795 63.200 0.092 0.000 0.928 -137 S HN 0.135 nan 8.310 nan 0.000 0.433 -136 N N 1.312 120.043 118.700 0.051 0.000 2.348 -136 N HA -0.019 4.722 4.740 0.000 0.000 0.185 -136 N C 1.540 177.050 175.510 0.000 0.000 1.019 -136 N CA 1.151 54.222 53.050 0.034 0.000 0.880 -136 N CB -0.485 38.034 38.487 0.054 0.000 0.965 -136 N HN 0.543 nan 8.380 nan 0.000 0.437 -135 I N 0.247 120.772 120.570 -0.074 0.000 2.480 -135 I HA -0.135 4.035 4.170 0.000 0.000 0.251 -135 I C 1.467 177.535 176.117 -0.081 0.000 1.124 -135 I CA 0.658 61.851 61.300 -0.179 0.000 1.444 -135 I CB -0.126 37.523 38.000 -0.585 0.000 1.098 -135 I HN -0.107 nan 8.210 nan 0.000 0.428 -134 D N 0.804 121.206 120.400 0.004 0.000 2.116 -134 D HA -0.181 4.459 4.640 0.000 0.000 0.193 -134 D C 2.209 178.556 176.300 0.079 0.000 0.998 -134 D CA 1.696 55.775 54.000 0.132 0.000 0.836 -134 D CB -0.410 40.475 40.800 0.141 0.000 0.951 -134 D HN 0.206 nan 8.370 nan 0.000 0.449 -133 T N -0.240 114.344 114.554 0.050 0.000 2.821 -133 T HA -0.122 4.228 4.350 0.000 0.000 0.267 -133 T C 1.985 176.702 174.700 0.029 0.000 1.046 -133 T CA 1.555 63.678 62.100 0.037 0.000 1.139 -133 T CB -0.212 68.675 68.868 0.032 0.000 0.871 -133 T HN 0.234 nan 8.240 nan 0.000 0.454 -132 S N 0.636 116.350 115.700 0.024 0.000 2.489 -132 S HA 0.009 4.480 4.470 0.000 0.000 0.228 -132 S C 1.088 175.695 174.600 0.012 0.000 0.995 -132 S CA 0.732 58.940 58.200 0.013 0.000 0.934 -132 S CB -0.324 62.880 63.200 0.007 0.000 0.771 -132 S HN 0.546 nan 8.310 nan 0.000 0.522 -131 K N -0.602 119.819 120.400 0.035 0.000 3.426 -131 K HA -0.122 4.198 4.320 0.000 0.000 0.315 -131 K C -0.378 176.239 176.600 0.028 0.000 1.293 -131 K CA 0.697 57.007 56.287 0.038 0.000 0.955 -131 K CB -2.387 30.123 32.500 0.017 0.000 1.238 -131 K HN 0.375 nan 8.250 nan 0.000 0.441 -130 V N 2.203 122.128 119.914 0.018 0.000 2.584 -130 V HA -0.099 4.021 4.120 0.000 0.000 0.303 -130 V C 0.816 176.963 176.094 0.089 0.000 1.035 -130 V CA 0.224 62.521 62.300 -0.004 0.000 1.172 -130 V CB 0.489 32.261 31.823 -0.085 0.000 0.896 -130 V HN 0.230 nan 8.190 nan 0.000 0.486 -129 N N 5.445 124.155 118.700 0.017 0.000 2.402 -129 N HA 0.167 4.908 4.740 0.000 0.000 0.259 -129 N C -0.786 174.706 175.510 -0.030 0.000 1.167 -129 N CA -0.228 52.814 53.050 -0.014 0.000 0.949 -129 N CB 0.023 38.471 38.487 -0.064 0.000 1.212 -129 N HN 0.581 nan 8.380 nan 0.000 0.493 -128 Y N 0.804 121.006 120.300 -0.163 0.000 2.446 -128 Y HA 0.845 5.395 4.550 0.000 0.000 0.338 -128 Y C 0.397 176.056 175.900 -0.402 0.000 1.055 -128 Y CA -1.585 56.375 58.100 -0.234 0.000 1.101 -128 Y CB 0.771 39.204 38.460 -0.046 0.000 1.221 -128 Y HN 0.298 nan 8.280 nan 0.000 0.460 -127 G N 1.173 109.540 108.800 -0.723 0.000 2.441 -127 G HA2 0.583 4.543 3.960 0.000 0.000 0.334 -127 G HA3 0.583 4.543 3.960 0.000 0.000 0.334 -127 G C -1.832 172.939 174.900 -0.215 0.000 1.161 -127 G CA -1.133 43.597 45.100 -0.617 0.000 0.935 -127 G HN 0.675 nan 8.290 nan 0.000 0.488 -126 V N 0.531 120.378 119.914 -0.112 0.000 2.407 -126 V HA 0.654 4.774 4.120 0.000 0.000 0.291 -126 V C 0.255 176.386 176.094 0.062 0.000 1.018 -126 V CA -0.453 61.840 62.300 -0.013 0.000 0.842 -126 V CB 1.059 32.763 31.823 -0.198 0.000 0.996 -126 V HN 0.917 nan 8.190 nan 0.000 0.426 -125 T N 2.983 117.607 114.554 0.116 0.000 2.742 -125 T HA 0.572 4.922 4.350 0.000 0.000 0.282 -125 T C -0.719 173.977 174.700 -0.007 0.000 1.025 -125 T CA -0.352 61.771 62.100 0.039 0.000 1.020 -125 T CB 2.030 70.891 68.868 -0.011 0.000 1.317 -125 T HN 0.452 nan 8.240 nan 0.000 0.538 -124 V N 2.658 122.548 119.914 -0.041 0.000 2.811 -124 V HA 0.410 4.530 4.120 0.000 0.000 0.302 -124 V C 0.123 176.170 176.094 -0.079 0.000 1.063 -124 V CA -0.254 62.020 62.300 -0.044 0.000 1.088 -124 V CB 0.207 32.002 31.823 -0.046 0.000 0.982 -124 V HN 0.741 nan 8.190 nan 0.000 0.485 -123 L N 8.843 130.028 121.223 -0.062 0.000 2.485 -123 L HA 0.255 4.595 4.340 0.000 0.000 0.275 -123 L C -1.764 175.029 176.870 -0.129 0.000 1.207 -123 L CA -1.166 53.615 54.840 -0.097 0.000 0.855 -123 L CB 0.180 42.231 42.059 -0.013 0.000 1.114 -123 L HN 0.575 nan 8.230 nan 0.000 0.485 -122 P HA 0.042 nan 4.420 nan 0.000 0.269 -122 P C -0.532 176.754 177.300 -0.024 0.000 1.215 -122 P CA -0.400 62.515 63.100 -0.310 0.000 0.780 -122 P CB 0.324 31.567 31.700 -0.761 0.000 0.898 -121 T N -0.781 113.802 114.554 0.048 0.000 2.882 -121 T HA 0.512 4.862 4.350 0.000 0.000 0.287 -121 T C -0.546 174.364 174.700 0.350 0.000 1.014 -121 T CA -0.400 61.795 62.100 0.159 0.000 1.049 -121 T CB 0.428 69.325 68.868 0.049 0.000 1.001 -121 T HN 0.271 nan 8.240 nan 0.000 0.525 -120 F N 1.206 121.194 119.950 0.063 0.000 2.540 -120 F HA 0.482 5.009 4.527 0.000 0.000 0.317 -120 F C 0.438 176.169 175.800 -0.114 0.000 1.104 -120 F CA -1.803 56.150 58.000 -0.080 0.000 0.913 -120 F CB 1.496 40.349 39.000 -0.245 0.000 1.170 -120 F HN 0.855 nan 8.300 nan 0.000 0.450 -119 K N 4.410 124.349 120.400 -0.769 0.000 3.213 -119 K HA -0.217 4.103 4.320 0.000 0.000 0.266 -119 K C 0.974 177.409 176.600 -0.275 0.000 0.911 -119 K CA 0.941 56.879 56.287 -0.582 0.000 0.684 -119 K CB -1.624 30.403 32.500 -0.787 0.000 1.402 -119 K HN 1.339 nan 8.250 nan 0.000 0.465 -118 G N -0.558 108.148 108.800 -0.156 0.000 2.189 -118 G HA2 -0.329 3.631 3.960 0.000 0.000 0.267 -118 G HA3 -0.329 3.631 3.960 0.000 0.000 0.267 -118 G C -0.087 174.773 174.900 -0.066 0.000 0.975 -118 G CA 0.654 45.700 45.100 -0.091 0.000 0.644 -118 G HN 0.395 nan 8.290 nan 0.000 0.537 -117 Q N 0.376 120.137 119.800 -0.065 0.000 2.274 -117 Q HA 0.455 4.795 4.340 0.000 0.000 0.260 -117 Q C -2.560 173.452 176.000 0.019 0.000 0.974 -117 Q CA -2.051 53.732 55.803 -0.033 0.000 0.876 -117 Q CB 2.027 30.733 28.738 -0.053 0.000 1.297 -117 Q HN 0.179 nan 8.270 nan 0.000 0.446 -116 P HA 0.030 nan 4.420 nan 0.000 0.269 -116 P C -0.472 176.852 177.300 0.039 0.000 1.209 -116 P CA 0.162 63.277 63.100 0.024 0.000 0.776 -116 P CB 0.570 32.270 31.700 0.001 0.000 0.876 -115 S N 1.873 117.618 115.700 0.073 0.000 2.580 -115 S HA 0.184 4.654 4.470 0.000 0.000 0.274 -115 S C 0.294 174.894 174.600 0.000 0.000 1.329 -115 S CA -0.307 57.929 58.200 0.059 0.000 1.036 -115 S CB 0.096 63.392 63.200 0.160 0.000 0.919 -115 S HN 0.289 nan 8.310 nan 0.000 0.515 -114 K N 2.742 123.105 120.400 -0.062 0.000 2.606 -114 K HA 0.263 4.584 4.320 0.000 0.000 0.196 -114 K C -2.686 173.903 176.600 -0.019 0.000 1.048 -114 K CA -1.715 54.538 56.287 -0.057 0.000 1.017 -114 K CB 1.013 33.447 32.500 -0.110 0.000 1.413 -114 K HN 0.398 nan 8.250 nan 0.000 0.568 -113 P HA -0.045 nan 4.420 nan 0.000 0.268 -113 P C -0.428 177.021 177.300 0.248 0.000 1.205 -113 P CA -0.132 63.030 63.100 0.102 0.000 0.771 -113 P CB 0.476 32.207 31.700 0.052 0.000 0.858 -112 F N 1.838 121.988 119.950 0.334 0.000 2.495 -112 F HA 0.082 4.609 4.527 0.000 0.000 0.365 -112 F C 0.649 176.639 175.800 0.316 0.000 1.090 -112 F CA -0.276 57.926 58.000 0.337 0.000 1.235 -112 F CB 0.394 39.615 39.000 0.368 0.000 1.119 -112 F HN -0.005 nan 8.300 nan 0.000 0.562 -111 V N 3.684 123.933 119.914 0.558 0.000 2.481 -111 V HA 0.646 4.767 4.120 0.000 0.000 0.286 -111 V C 0.467 176.804 176.094 0.405 0.000 1.042 -111 V CA -0.731 61.813 62.300 0.407 0.000 0.928 -111 V CB 1.232 33.238 31.823 0.306 0.000 0.986 -111 V HN 0.866 nan 8.190 nan 0.000 0.462 -110 G N 2.865 111.865 108.800 0.333 0.000 2.415 -110 G HA2 0.581 4.542 3.960 0.000 0.000 0.327 -110 G HA3 0.581 4.542 3.960 0.000 0.000 0.327 -110 G C -1.019 174.036 174.900 0.258 0.000 1.182 -110 G CA -0.488 44.782 45.100 0.284 0.000 0.924 -110 G HN 0.543 nan 8.290 nan 0.000 0.470 -109 V N 3.248 123.377 119.914 0.359 0.000 2.364 -109 V HA 0.219 4.339 4.120 0.000 0.000 0.272 -109 V C 0.274 176.394 176.094 0.044 0.000 1.036 -109 V CA -0.730 61.622 62.300 0.086 0.000 0.880 -109 V CB 1.022 32.752 31.823 -0.154 0.000 0.991 -109 V HN 0.690 nan 8.190 nan 0.000 0.460 -108 L N 6.135 127.356 121.223 -0.003 0.000 2.410 -108 L HA 0.476 4.816 4.340 0.000 0.000 0.273 -108 L C 0.250 177.121 176.870 0.001 0.000 1.152 -108 L CA 1.268 56.103 54.840 -0.008 0.000 0.855 -108 L CB 0.767 42.833 42.059 0.012 0.000 1.129 -108 L HN 0.761 nan 8.230 nan 0.000 0.463 -107 S N 3.336 119.023 115.700 -0.022 0.000 2.564 -107 S HA 0.884 5.355 4.470 0.000 0.000 0.274 -107 S C -0.973 173.584 174.600 -0.072 0.000 1.124 -107 S CA -0.412 57.702 58.200 -0.144 0.000 0.869 -107 S CB 1.777 64.650 63.200 -0.545 0.000 1.105 -107 S HN 0.920 nan 8.310 nan 0.000 0.472 -106 A N 1.235 123.991 122.820 -0.107 0.000 2.291 -106 A HA 0.816 5.136 4.320 0.000 0.000 0.311 -106 A C 0.204 177.851 177.584 0.105 0.000 1.224 -106 A CA -0.539 51.307 52.037 -0.319 0.000 0.821 -106 A CB 0.486 19.085 19.000 -0.668 0.000 1.172 -106 A HN 0.971 nan 8.150 nan 0.000 0.494 -105 G N 0.951 109.849 108.800 0.162 0.000 2.454 -105 G HA2 0.612 4.572 3.960 0.000 0.000 0.329 -105 G HA3 0.612 4.572 3.960 0.000 0.000 0.329 -105 G C -0.714 174.180 174.900 -0.009 0.000 1.177 -105 G CA -0.667 44.539 45.100 0.176 0.000 0.951 -105 G HN 0.666 nan 8.290 nan 0.000 0.485 -104 I N 1.480 122.075 120.570 0.042 0.000 2.362 -104 I HA 0.152 4.322 4.170 0.000 0.000 0.289 -104 I C -0.041 176.082 176.117 0.010 0.000 0.994 -104 I CA -0.968 60.337 61.300 0.008 0.000 1.158 -104 I CB 1.665 39.702 38.000 0.061 0.000 1.315 -104 I HN 0.341 nan 8.210 nan 0.000 0.451 -103 N N 4.628 123.321 118.700 -0.010 0.000 2.411 -103 N HA -0.005 4.735 4.740 0.000 0.000 0.261 -103 N C 0.903 176.412 175.510 -0.001 0.000 1.248 -103 N CA 0.427 53.501 53.050 0.039 0.000 0.885 -103 N CB 1.450 39.940 38.487 0.005 0.000 1.062 -103 N HN 0.802 nan 8.380 nan 0.000 0.471 -102 A N 4.074 126.894 122.820 -0.001 0.000 1.972 -102 A HA -0.062 4.258 4.320 0.000 0.000 0.219 -102 A C 1.798 179.365 177.584 -0.029 0.000 1.169 -102 A CA 1.810 53.842 52.037 -0.008 0.000 0.635 -102 A CB -0.481 18.514 19.000 -0.008 0.000 0.810 -102 A HN 0.763 nan 8.150 nan 0.000 0.446 -101 A N -0.720 122.067 122.820 -0.055 0.000 2.275 -101 A HA 0.371 4.692 4.320 0.000 0.000 0.212 -101 A C 1.280 178.829 177.584 -0.060 0.000 1.201 -101 A CA 0.668 52.668 52.037 -0.062 0.000 0.843 -101 A CB -0.461 18.486 19.000 -0.088 0.000 0.873 -101 A HN 0.468 nan 8.150 nan 0.000 0.492 -100 S N 1.363 117.029 115.700 -0.057 0.000 2.531 -100 S HA 0.310 4.781 4.470 0.000 0.000 0.279 -100 S C -1.601 172.977 174.600 -0.037 0.000 1.305 -100 S CA -1.055 57.111 58.200 -0.058 0.000 1.058 -100 S CB 0.706 63.867 63.200 -0.066 0.000 0.899 -100 S HN 0.266 nan 8.310 nan 0.000 0.493 -99 P HA 0.204 nan 4.420 nan 0.000 0.255 -99 P C -0.491 176.801 177.300 -0.013 0.000 1.357 -99 P CA 0.081 63.169 63.100 -0.021 0.000 0.839 -99 P CB -0.195 31.492 31.700 -0.021 0.000 1.356 -98 N N 0.028 118.717 118.700 -0.018 0.000 2.433 -98 N HA 0.110 4.851 4.740 0.000 0.000 0.270 -98 N C 0.930 176.439 175.510 -0.001 0.000 1.354 -98 N CA -0.248 52.797 53.050 -0.010 0.000 0.889 -98 N CB 0.510 38.979 38.487 -0.029 0.000 1.285 -98 N HN 0.158 nan 8.380 nan 0.000 0.503 -97 K N 0.547 120.952 120.400 0.008 0.000 2.280 -97 K HA -0.028 4.292 4.320 0.000 0.000 0.202 -97 K C 1.148 177.775 176.600 0.045 0.000 1.047 -97 K CA 0.836 57.137 56.287 0.025 0.000 0.942 -97 K CB 0.418 32.935 32.500 0.029 0.000 0.739 -97 K HN 0.210 nan 8.250 nan 0.000 0.457 -96 E N 0.842 121.070 120.200 0.048 0.000 2.086 -96 E HA -0.039 4.311 4.350 0.000 0.000 0.190 -96 E C 2.169 178.829 176.600 0.100 0.000 0.975 -96 E CA 0.513 56.953 56.400 0.066 0.000 0.813 -96 E CB -0.004 29.730 29.700 0.057 0.000 0.768 -96 E HN 0.249 nan 8.360 nan 0.000 0.457 -95 L N 0.826 122.114 121.223 0.107 0.000 2.012 -95 L HA -0.197 4.144 4.340 0.000 0.000 0.210 -95 L C 2.644 179.565 176.870 0.085 0.000 1.073 -95 L CA 1.379 56.326 54.840 0.178 0.000 0.748 -95 L CB -0.645 41.507 42.059 0.155 0.000 0.891 -95 L HN 0.066 nan 8.230 nan 0.000 0.431 -94 A N -0.229 122.593 122.820 0.002 0.000 1.933 -94 A HA -0.247 4.073 4.320 0.000 0.000 0.218 -94 A C 2.438 180.048 177.584 0.042 0.000 1.175 -94 A CA 1.907 53.930 52.037 -0.023 0.000 0.628 -94 A CB -0.456 18.526 19.000 -0.031 0.000 0.814 -94 A HN 0.329 nan 8.150 nan 0.000 0.444 -93 K N -0.454 119.981 120.400 0.058 0.000 2.057 -93 K HA -0.168 4.152 4.320 0.000 0.000 0.206 -93 K C 2.075 178.679 176.600 0.006 0.000 1.050 -93 K CA 1.585 57.889 56.287 0.030 0.000 0.935 -93 K CB -0.149 32.394 32.500 0.072 0.000 0.715 -93 K HN 0.642 nan 8.250 nan 0.000 0.439 -92 E N -0.410 119.863 120.200 0.121 0.000 2.152 -92 E HA -0.175 4.176 4.350 0.000 0.000 0.192 -92 E C 1.845 178.656 176.600 0.350 0.000 0.983 -92 E CA 0.639 57.177 56.400 0.230 0.000 0.818 -92 E CB -0.115 29.782 29.700 0.330 0.000 0.758 -92 E HN 0.311 nan 8.360 nan 0.000 0.467 -91 F N 0.965 120.944 119.950 0.048 0.000 2.102 -91 F HA -0.153 4.375 4.527 0.001 0.000 0.298 -91 F C 1.856 177.646 175.800 -0.018 0.000 1.105 -91 F CA 1.380 59.267 58.000 -0.188 0.000 1.239 -91 F CB -0.019 38.554 39.000 -0.712 0.000 0.991 -91 F HN -0.020 nan 8.300 nan 0.000 0.474 -90 L N -0.322 120.875 121.223 -0.044 0.000 2.313 -90 L HA -0.069 4.271 4.340 0.000 0.000 0.214 -90 L C 2.140 178.854 176.870 -0.260 0.000 1.119 -90 L CA 0.996 55.710 54.840 -0.209 0.000 0.809 -90 L CB -0.457 41.392 42.059 -0.349 0.000 0.933 -90 L HN 0.190 nan 8.230 nan 0.000 0.449 -89 E N -0.256 119.797 120.200 -0.246 0.000 2.127 -89 E HA -0.028 4.322 4.350 0.000 0.000 0.191 -89 E C 1.171 177.790 176.600 0.033 0.000 0.964 -89 E CA 0.517 56.764 56.400 -0.254 0.000 0.832 -89 E CB 0.215 29.576 29.700 -0.565 0.000 0.790 -89 E HN 0.431 nan 8.360 nan 0.000 0.465 -88 N N -0.811 117.907 118.700 0.030 0.000 2.254 -88 N HA 0.045 4.785 4.740 0.000 0.000 0.190 -88 N C 0.512 175.864 175.510 -0.264 0.000 1.107 -88 N CA 0.519 53.539 53.050 -0.050 0.000 0.869 -88 N CB 0.472 38.935 38.487 -0.040 0.000 0.983 -88 N HN 0.184 nan 8.380 nan 0.000 0.487 -87 Y N -0.464 119.764 120.300 -0.119 0.000 2.769 -87 Y HA 0.239 4.790 4.550 0.001 0.000 0.266 -87 Y C 1.783 177.520 175.900 -0.272 0.000 1.091 -87 Y CA -0.310 57.674 58.100 -0.193 0.000 1.272 -87 Y CB -0.314 38.004 38.460 -0.237 0.000 1.469 -87 Y HN -0.139 nan 8.280 nan 0.000 0.475 -86 L N 0.372 121.446 121.223 -0.250 0.000 2.007 -86 L HA 0.071 4.411 4.340 0.000 0.000 0.205 -86 L C 0.878 177.714 176.870 -0.056 0.000 1.073 -86 L CA 1.778 56.503 54.840 -0.191 0.000 0.744 -86 L CB -0.649 41.292 42.059 -0.196 0.000 0.898 -86 L HN 0.139 nan 8.230 nan 0.000 0.435 -85 L N 1.352 122.580 121.223 0.009 0.000 2.803 -85 L HA 0.151 4.491 4.340 0.000 0.000 0.241 -85 L C -0.080 176.807 176.870 0.028 0.000 1.404 -85 L CA -0.031 54.852 54.840 0.072 0.000 1.211 -85 L CB -1.427 40.770 42.059 0.232 0.000 1.585 -85 L HN 0.406 nan 8.230 nan 0.000 0.430 -84 T N -6.439 108.087 114.554 -0.046 0.000 2.906 -84 T HA 0.277 4.627 4.350 0.000 0.000 0.295 -84 T C 0.686 175.281 174.700 -0.174 0.000 1.061 -84 T CA -0.928 61.120 62.100 -0.086 0.000 1.000 -84 T CB 2.074 70.883 68.868 -0.099 0.000 1.103 -84 T HN 0.023 nan 8.240 nan 0.000 0.486 -83 D N 1.010 121.286 120.400 -0.205 0.000 2.126 -83 D HA -0.195 4.445 4.640 0.000 0.000 0.190 -83 D C 1.610 177.633 176.300 -0.461 0.000 1.001 -83 D CA 1.788 55.526 54.000 -0.437 0.000 0.841 -83 D CB -0.152 40.504 40.800 -0.241 0.000 0.949 -83 D HN 0.883 nan 8.370 nan 0.000 0.446 -82 E N 0.202 120.257 120.200 -0.242 0.000 2.147 -82 E HA -0.175 4.175 4.350 0.000 0.000 0.199 -82 E C 2.125 178.636 176.600 -0.147 0.000 1.005 -82 E CA 1.470 57.772 56.400 -0.163 0.000 0.810 -82 E CB -0.242 29.396 29.700 -0.104 0.000 0.736 -82 E HN 0.329 nan 8.360 nan 0.000 0.460 -81 G N 0.393 109.103 108.800 -0.149 0.000 2.395 -81 G HA2 -0.169 3.792 3.960 0.000 0.000 0.214 -81 G HA3 -0.169 3.792 3.960 0.000 0.000 0.214 -81 G C 1.523 176.350 174.900 -0.121 0.000 1.177 -81 G CA 0.341 45.375 45.100 -0.110 0.000 0.794 -81 G HN 0.159 nan 8.290 nan 0.000 0.532 -80 L N 0.169 121.278 121.223 -0.191 0.000 2.109 -80 L HA 0.012 4.352 4.340 0.000 0.000 0.207 -80 L C 2.730 179.522 176.870 -0.130 0.000 1.086 -80 L CA 1.330 56.090 54.840 -0.134 0.000 0.760 -80 L CB -0.406 41.597 42.059 -0.093 0.000 0.910 -80 L HN 0.359 nan 8.230 nan 0.000 0.437 -79 E N 0.773 120.743 120.200 -0.383 0.000 2.085 -79 E HA -0.255 4.095 4.350 0.000 0.000 0.194 -79 E C 2.216 178.807 176.600 -0.014 0.000 0.994 -79 E CA 1.298 57.602 56.400 -0.160 0.000 0.801 -79 E CB 0.015 29.556 29.700 -0.265 0.000 0.743 -79 E HN 0.433 nan 8.360 nan 0.000 0.453 -78 A N 0.413 123.204 122.820 -0.049 0.000 1.978 -78 A HA -0.152 4.168 4.320 0.000 0.000 0.220 -78 A C 2.334 179.917 177.584 -0.001 0.000 1.170 -78 A CA 1.585 53.615 52.037 -0.012 0.000 0.636 -78 A CB -0.468 18.526 19.000 -0.010 0.000 0.810 -78 A HN 0.245 nan 8.150 nan 0.000 0.448 -77 V N -0.036 119.876 119.914 -0.004 0.000 2.379 -77 V HA -0.163 3.957 4.120 0.000 0.000 0.243 -77 V C 2.290 178.397 176.094 0.022 0.000 1.035 -77 V CA 2.006 64.301 62.300 -0.008 0.000 1.035 -77 V CB -0.981 30.827 31.823 -0.025 0.000 0.673 -77 V HN 0.677 nan 8.190 nan 0.000 0.457 -76 N N 0.414 119.160 118.700 0.078 0.000 2.223 -76 N HA -0.154 4.586 4.740 0.000 0.000 0.185 -76 N C 1.630 177.199 175.510 0.099 0.000 1.016 -76 N CA 1.137 54.257 53.050 0.117 0.000 0.863 -76 N CB -0.106 38.521 38.487 0.234 0.000 0.983 -76 N HN 0.380 nan 8.380 nan 0.000 0.429 -75 K N -0.599 119.854 120.400 0.087 0.000 2.525 -75 K HA -0.043 4.277 4.320 0.000 0.000 0.192 -75 K C 0.370 176.993 176.600 0.038 0.000 1.029 -75 K CA 0.365 56.695 56.287 0.072 0.000 1.029 -75 K CB 0.271 32.812 32.500 0.067 0.000 0.814 -75 K HN 0.290 nan 8.250 nan 0.000 0.503 -74 D N 0.587 120.996 120.400 0.014 0.000 2.735 -74 D HA 0.025 4.665 4.640 0.000 0.000 0.267 -74 D C -0.249 176.042 176.300 -0.015 0.000 1.081 -74 D CA 0.909 54.892 54.000 -0.028 0.000 0.980 -74 D CB 0.692 41.444 40.800 -0.081 0.000 1.129 -74 D HN -0.206 nan 8.370 nan 0.000 0.459 -73 K N 0.922 121.319 120.400 -0.005 0.000 2.541 -73 K HA 0.411 4.731 4.320 0.000 0.000 0.250 -73 K C -2.721 173.894 176.600 0.026 0.000 0.950 -73 K CA -2.077 54.226 56.287 0.027 0.000 0.805 -73 K CB 1.907 34.433 32.500 0.044 0.000 1.166 -73 K HN -0.026 nan 8.250 nan 0.000 0.430 -72 P HA 0.063 nan 4.420 nan 0.000 0.262 -72 P C 0.650 177.896 177.300 -0.090 0.000 1.182 -72 P CA 0.083 63.163 63.100 -0.033 0.000 0.761 -72 P CB 0.516 32.173 31.700 -0.072 0.000 0.795 -71 L N 2.136 123.345 121.223 -0.023 0.000 2.395 -71 L HA 0.115 4.455 4.340 0.000 0.000 0.218 -71 L C 1.527 178.374 176.870 -0.039 0.000 1.130 -71 L CA 1.134 55.975 54.840 0.001 0.000 0.826 -71 L CB -0.848 41.240 42.059 0.050 0.000 0.941 -71 L HN 0.737 nan 8.230 nan 0.000 0.451 -70 G N -0.291 108.434 108.800 -0.124 0.000 2.466 -70 G HA2 -0.151 3.809 3.960 0.000 0.000 0.218 -70 G HA3 -0.151 3.809 3.960 0.000 0.000 0.218 -70 G C -0.319 174.575 174.900 -0.011 0.000 1.237 -70 G CA -0.404 44.629 45.100 -0.111 0.000 0.954 -70 G HN 0.348 nan 8.290 nan 0.000 0.580 -69 A N 0.537 123.370 122.820 0.021 0.000 2.437 -69 A HA 0.676 4.997 4.320 0.000 0.000 0.303 -69 A C 1.034 178.642 177.584 0.040 0.000 1.324 -69 A CA 0.617 52.671 52.037 0.029 0.000 0.983 -69 A CB -0.508 18.510 19.000 0.031 0.000 1.142 -69 A HN 2.304 nan 8.150 nan 0.000 0.541 -68 V N 0.646 120.595 119.914 0.058 0.000 2.963 -68 V HA 0.435 4.556 4.120 0.000 0.000 0.306 -68 V C 1.218 177.394 176.094 0.137 0.000 1.077 -68 V CA 0.371 62.731 62.300 0.101 0.000 1.124 -68 V CB 0.552 32.477 31.823 0.170 0.000 0.987 -68 V HN 1.057 nan 8.190 nan 0.000 0.487 -67 A N 3.331 126.205 122.820 0.089 0.000 2.119 -67 A HA 0.246 4.566 4.320 0.000 0.000 0.216 -67 A C 1.087 178.732 177.584 0.103 0.000 1.152 -67 A CA 0.412 52.498 52.037 0.083 0.000 0.708 -67 A CB -0.449 18.468 19.000 -0.138 0.000 0.805 -67 A HN 0.999 nan 8.150 nan 0.000 0.460 -66 L N 0.777 122.050 121.223 0.082 0.000 2.315 -66 L HA 0.174 4.514 4.340 0.000 0.000 0.283 -66 L C 1.183 178.053 176.870 -0.000 0.000 1.089 -66 L CA -0.035 54.802 54.840 -0.006 0.000 0.833 -66 L CB 0.411 42.490 42.059 0.033 0.000 1.170 -66 L HN 0.192 nan 8.230 nan 0.000 0.442 -65 K N 1.645 121.904 120.400 -0.234 0.000 2.044 -65 K HA -0.194 4.126 4.320 0.000 0.000 0.210 -65 K C 1.890 178.467 176.600 -0.038 0.000 1.049 -65 K CA 1.894 57.996 56.287 -0.309 0.000 0.927 -65 K CB -0.172 32.072 32.500 -0.427 0.000 0.713 -65 K HN 0.905 nan 8.250 nan 0.000 0.443 -64 S N -0.056 115.636 115.700 -0.012 0.000 2.406 -64 S HA -0.157 4.313 4.470 0.000 0.000 0.228 -64 S C 1.992 176.676 174.600 0.140 0.000 1.020 -64 S CA 0.711 58.939 58.200 0.047 0.000 0.965 -64 S CB -0.425 62.789 63.200 0.023 0.000 0.798 -64 S HN 0.351 nan 8.310 nan 0.000 0.488 -63 Y N 2.239 122.548 120.300 0.014 0.000 2.448 -63 Y HA 0.249 4.799 4.550 0.000 0.000 0.289 -63 Y C 2.276 178.216 175.900 0.066 0.000 1.114 -63 Y CA 0.899 59.019 58.100 0.034 0.000 1.235 -63 Y CB -0.369 38.106 38.460 0.026 0.000 1.045 -63 Y HN 0.336 nan 8.280 nan 0.000 0.554 -62 E N 0.818 121.071 120.200 0.089 0.000 2.204 -62 E HA -0.179 4.172 4.350 0.000 0.000 0.194 -62 E C 1.715 178.336 176.600 0.036 0.000 0.989 -62 E CA 1.663 58.096 56.400 0.054 0.000 0.824 -62 E CB -0.186 29.661 29.700 0.245 0.000 0.756 -62 E HN 0.607 nan 8.360 nan 0.000 0.477 -61 E N 0.221 120.461 120.200 0.066 0.000 2.097 -61 E HA -0.229 4.122 4.350 0.000 0.000 0.196 -61 E C 1.965 178.568 176.600 0.004 0.000 1.000 -61 E CA 1.409 57.838 56.400 0.048 0.000 0.804 -61 E CB -0.095 29.638 29.700 0.055 0.000 0.740 -61 E HN 0.357 nan 8.360 nan 0.000 0.454 -60 E N 0.754 120.935 120.200 -0.031 0.000 2.016 -60 E HA -0.112 4.238 4.350 0.000 0.000 0.190 -60 E C 2.379 178.923 176.600 -0.094 0.000 0.985 -60 E CA 0.660 57.028 56.400 -0.054 0.000 0.802 -60 E CB -0.327 29.348 29.700 -0.043 0.000 0.762 -60 E HN 0.300 nan 8.360 nan 0.000 0.448 -59 L N 0.937 122.044 121.223 -0.193 0.000 2.261 -59 L HA -0.152 4.188 4.340 0.000 0.000 0.216 -59 L C 2.491 179.331 176.870 -0.049 0.000 1.114 -59 L CA 0.816 55.567 54.840 -0.149 0.000 0.777 -59 L CB -0.638 41.286 42.059 -0.225 0.000 0.910 -59 L HN 0.064 nan 8.230 nan 0.000 0.440 -58 A N -0.235 122.565 122.820 -0.032 0.000 2.024 -58 A HA -0.168 4.152 4.320 0.000 0.000 0.220 -58 A C 2.112 179.694 177.584 -0.005 0.000 1.164 -58 A CA 1.312 53.347 52.037 -0.004 0.000 0.643 -58 A CB -0.216 18.791 19.000 0.012 0.000 0.806 -58 A HN 0.183 nan 8.150 nan 0.000 0.451 -57 K N 0.701 121.093 120.400 -0.013 0.000 2.525 -57 K HA -0.012 4.308 4.320 0.000 0.000 0.192 -57 K C -0.070 176.516 176.600 -0.022 0.000 1.029 -57 K CA 0.132 56.410 56.287 -0.015 0.000 1.029 -57 K CB -0.341 32.150 32.500 -0.014 0.000 0.814 -57 K HN 0.487 nan 8.250 nan 0.000 0.503 -56 D N 1.135 121.525 120.400 -0.017 0.000 2.295 -56 D HA 0.089 4.729 4.640 0.000 0.000 0.248 -56 D C -1.801 174.471 176.300 -0.046 0.000 1.154 -56 D CA -2.416 51.565 54.000 -0.031 0.000 0.857 -56 D CB 1.651 42.451 40.800 -0.000 0.000 1.117 -56 D HN -0.190 nan 8.370 nan 0.000 0.468 -55 P HA -0.194 nan 4.420 nan 0.000 0.217 -55 P C 1.181 178.414 177.300 -0.111 0.000 1.158 -55 P CA 1.508 64.552 63.100 -0.093 0.000 0.887 -55 P CB 0.228 31.853 31.700 -0.125 0.000 0.792 -54 R N -0.925 119.444 120.500 -0.219 0.000 2.083 -54 R HA -0.118 4.222 4.340 0.000 0.000 0.237 -54 R C 2.229 178.570 176.300 0.068 0.000 1.137 -54 R CA 1.292 57.193 56.100 -0.331 0.000 0.951 -54 R CB -0.987 28.661 30.300 -1.087 0.000 0.851 -54 R HN 0.193 nan 8.270 nan 0.000 0.434 -53 I N 0.812 121.476 120.570 0.156 0.000 2.394 -53 I HA -0.167 4.004 4.170 0.000 0.000 0.251 -53 I C 2.500 178.680 176.117 0.105 0.000 1.136 -53 I CA 1.129 62.557 61.300 0.213 0.000 1.425 -53 I CB -1.331 36.757 38.000 0.146 0.000 1.079 -53 I HN 0.170 nan 8.210 nan 0.000 0.425 -52 A N 1.015 123.862 122.820 0.046 0.000 1.902 -52 A HA -0.118 4.203 4.320 0.000 0.000 0.217 -52 A C 2.566 180.167 177.584 0.028 0.000 1.181 -52 A CA 1.989 54.037 52.037 0.020 0.000 0.623 -52 A CB -0.644 18.352 19.000 -0.006 0.000 0.818 -52 A HN 0.408 nan 8.150 nan 0.000 0.443 -51 A N -1.202 121.641 122.820 0.037 0.000 1.929 -51 A HA -0.001 4.319 4.320 0.000 0.000 0.216 -51 A C 2.268 179.897 177.584 0.076 0.000 1.176 -51 A CA 2.059 54.120 52.037 0.040 0.000 0.628 -51 A CB -1.208 17.808 19.000 0.027 0.000 0.816 -51 A HN 0.416 nan 8.150 nan 0.000 0.444 -50 T N 0.318 114.954 114.554 0.138 0.000 2.665 -50 T HA -0.203 4.147 4.350 0.000 0.000 0.268 -50 T C 1.925 176.670 174.700 0.075 0.000 1.035 -50 T CA 1.843 64.023 62.100 0.134 0.000 1.151 -50 T CB -0.284 68.686 68.868 0.170 0.000 0.862 -50 T HN 0.259 nan 8.240 nan 0.000 0.438 -49 M N 0.911 120.544 119.600 0.054 0.000 2.229 -49 M HA 0.002 4.482 4.480 0.000 0.000 0.264 -49 M C 2.271 178.570 176.300 -0.001 0.000 1.063 -49 M CA 1.159 56.467 55.300 0.014 0.000 1.114 -49 M CB -1.026 31.570 32.600 -0.006 0.000 1.387 -49 M HN 0.400 nan 8.290 nan 0.000 0.420 -48 E N 0.146 120.350 120.200 0.007 0.000 2.047 -48 E HA -0.185 4.166 4.350 0.000 0.000 0.191 -48 E C 1.704 178.305 176.600 0.001 0.000 0.987 -48 E CA 0.938 57.336 56.400 -0.004 0.000 0.799 -48 E CB 0.147 29.844 29.700 -0.005 0.000 0.752 -48 E HN 0.458 nan 8.360 nan 0.000 0.449 -47 N N 0.592 119.303 118.700 0.017 0.000 2.166 -47 N HA -0.147 4.594 4.740 0.000 0.000 0.186 -47 N C 1.776 177.307 175.510 0.034 0.000 1.019 -47 N CA 1.159 54.223 53.050 0.024 0.000 0.856 -47 N CB -0.324 38.184 38.487 0.035 0.000 0.993 -47 N HN 0.202 nan 8.380 nan 0.000 0.426 -46 A N 1.110 123.954 122.820 0.039 0.000 1.917 -46 A HA -0.236 4.085 4.320 0.000 0.000 0.219 -46 A C 2.245 179.838 177.584 0.014 0.000 1.182 -46 A CA 1.674 53.738 52.037 0.045 0.000 0.633 -46 A CB -0.708 18.312 19.000 0.033 0.000 0.819 -46 A HN 0.231 nan 8.150 nan 0.000 0.448 -45 Q N -0.400 119.389 119.800 -0.018 0.000 2.124 -45 Q HA -0.103 4.237 4.340 0.000 0.000 0.202 -45 Q C 1.866 177.856 176.000 -0.017 0.000 0.977 -45 Q CA 2.063 57.842 55.803 -0.039 0.000 0.850 -45 Q CB -0.173 28.537 28.738 -0.047 0.000 0.901 -45 Q HN 0.700 nan 8.270 nan 0.000 0.429 -44 K N -1.205 119.194 120.400 -0.002 0.000 2.361 -44 K HA 0.149 4.469 4.320 0.000 0.000 0.196 -44 K C 0.927 177.533 176.600 0.011 0.000 1.039 -44 K CA 0.477 56.763 56.287 -0.001 0.000 1.001 -44 K CB 0.333 32.832 32.500 -0.002 0.000 0.795 -44 K HN 0.232 nan 8.250 nan 0.000 0.495 -43 G N 0.683 109.504 108.800 0.035 0.000 2.714 -43 G HA2 0.211 4.171 3.960 0.000 0.000 0.197 -43 G HA3 0.211 4.171 3.960 0.000 0.000 0.197 -43 G C -1.074 173.883 174.900 0.095 0.000 1.449 -43 G CA -0.221 44.919 45.100 0.065 0.000 1.065 -43 G HN 0.124 nan 8.290 nan 0.000 0.575 -42 E N -1.269 119.046 120.200 0.191 0.000 2.335 -42 E HA 0.323 4.673 4.350 0.000 0.000 0.280 -42 E C -0.612 176.237 176.600 0.416 0.000 0.918 -42 E CA -0.813 55.740 56.400 0.255 0.000 0.765 -42 E CB 1.607 31.471 29.700 0.274 0.000 1.218 -42 E HN 0.208 nan 8.360 nan 0.000 0.425 -41 I N 4.077 124.836 120.570 0.316 0.000 2.618 -41 I HA 0.053 4.223 4.170 0.000 0.000 0.284 -41 I C 0.927 177.267 176.117 0.372 0.000 1.146 -41 I CA 0.343 61.851 61.300 0.347 0.000 1.425 -41 I CB 0.033 38.182 38.000 0.249 0.000 1.383 -41 I HN 0.736 nan 8.210 nan 0.000 0.562 -40 M N 7.658 127.411 119.600 0.255 0.000 2.251 -40 M HA 0.095 4.576 4.480 0.000 0.000 0.343 -40 M C -2.021 174.273 176.300 -0.010 0.000 1.245 -40 M CA -1.045 54.107 55.300 -0.247 0.000 1.061 -40 M CB -0.214 32.118 32.600 -0.445 0.000 1.723 -40 M HN 0.300 nan 8.290 nan 0.000 0.449 -39 P HA 0.005 nan 4.420 nan 0.000 0.269 -39 P C -0.365 176.848 177.300 -0.146 0.000 1.209 -39 P CA 0.020 62.931 63.100 -0.315 0.000 0.776 -39 P CB 0.310 31.487 31.700 -0.872 0.000 0.876 -38 N N 2.369 121.085 118.700 0.027 0.000 2.214 -38 N HA 0.022 4.762 4.740 0.000 0.000 0.214 -38 N C 0.504 175.994 175.510 -0.033 0.000 1.132 -38 N CA -0.246 52.829 53.050 0.041 0.000 0.856 -38 N CB -0.707 37.908 38.487 0.214 0.000 1.020 -38 N HN 0.432 nan 8.380 nan 0.000 0.509 -37 I N -2.416 118.117 120.570 -0.062 0.000 3.060 -37 I HA 0.235 4.405 4.170 0.000 0.000 0.285 -37 I C -1.594 174.454 176.117 -0.114 0.000 1.190 -37 I CA -1.443 59.832 61.300 -0.042 0.000 1.363 -37 I CB 0.407 38.331 38.000 -0.126 0.000 1.396 -37 I HN -0.284 nan 8.210 nan 0.000 0.607 -36 P HA -0.075 nan 4.420 nan 0.000 0.221 -36 P C 1.012 178.275 177.300 -0.062 0.000 1.150 -36 P CA 1.149 64.191 63.100 -0.096 0.000 0.800 -36 P CB 0.049 31.721 31.700 -0.048 0.000 0.787 -35 Q N -1.615 118.132 119.800 -0.088 0.000 2.508 -35 Q HA -0.032 4.308 4.340 0.000 0.000 0.214 -35 Q C 1.802 177.890 176.000 0.147 0.000 0.979 -35 Q CA 0.901 56.696 55.803 -0.012 0.000 0.911 -35 Q CB -0.806 27.837 28.738 -0.159 0.000 0.969 -35 Q HN 0.177 nan 8.270 nan 0.000 0.504 -34 M N -0.751 118.896 119.600 0.078 0.000 2.213 -34 M HA -0.137 4.344 4.480 0.000 0.000 0.263 -34 M C 2.032 178.479 176.300 0.245 0.000 1.062 -34 M CA 1.190 56.566 55.300 0.127 0.000 1.105 -34 M CB -1.034 31.585 32.600 0.032 0.000 1.385 -34 M HN 0.198 nan 8.290 nan 0.000 0.417 -33 S N 0.340 116.145 115.700 0.175 0.000 2.353 -33 S HA -0.137 4.333 4.470 0.000 0.000 0.222 -33 S C 1.974 176.713 174.600 0.230 0.000 1.035 -33 S CA 1.727 60.039 58.200 0.187 0.000 1.025 -33 S CB -0.169 63.072 63.200 0.069 0.000 0.902 -33 S HN 0.551 nan 8.310 nan 0.000 0.440 -32 A N 0.295 123.226 122.820 0.184 0.000 1.933 -32 A HA -0.028 4.292 4.320 0.000 0.000 0.218 -32 A C 1.960 179.683 177.584 0.232 0.000 1.175 -32 A CA 1.639 53.790 52.037 0.190 0.000 0.628 -32 A CB -0.938 18.152 19.000 0.149 0.000 0.814 -32 A HN 0.666 nan 8.150 nan 0.000 0.444 -31 F N -0.906 119.088 119.950 0.073 0.000 2.102 -31 F HA -0.178 4.349 4.527 0.000 0.000 0.298 -31 F C 2.008 177.752 175.800 -0.094 0.000 1.105 -31 F CA 1.718 59.651 58.000 -0.112 0.000 1.239 -31 F CB -0.507 38.276 39.000 -0.361 0.000 0.991 -31 F HN 0.390 nan 8.300 nan 0.000 0.474 -30 W N -1.193 120.080 121.300 -0.045 0.000 2.381 -30 W HA -0.204 4.456 4.660 0.000 0.000 0.301 -30 W C 2.477 178.933 176.519 -0.106 0.000 1.205 -30 W CA 1.281 58.528 57.345 -0.163 0.000 1.285 -30 W CB -0.917 28.580 29.460 0.062 0.000 1.133 -30 W HN 0.156 nan 8.180 nan 0.000 0.521 -29 Y N 0.981 121.370 120.300 0.150 0.000 2.207 -29 Y HA -0.268 4.283 4.550 0.000 0.000 0.287 -29 Y C 2.296 178.203 175.900 0.012 0.000 1.156 -29 Y CA 2.154 60.300 58.100 0.077 0.000 1.182 -29 Y CB -0.680 37.818 38.460 0.064 0.000 0.979 -29 Y HN -0.077 nan 8.280 nan 0.000 0.521 -28 A N -0.892 121.961 122.820 0.054 0.000 1.873 -28 A HA -0.125 4.195 4.320 0.000 0.000 0.215 -28 A C 2.277 179.776 177.584 -0.141 0.000 1.186 -28 A CA 1.911 53.926 52.037 -0.038 0.000 0.616 -28 A CB -1.210 17.786 19.000 -0.008 0.000 0.823 -28 A HN 0.304 nan 8.150 nan 0.000 0.442 -27 V N 0.044 119.817 119.914 -0.236 0.000 2.453 -27 V HA -0.214 3.907 4.120 0.000 0.000 0.247 -27 V C 2.573 178.646 176.094 -0.034 0.000 1.048 -27 V CA 2.042 64.244 62.300 -0.163 0.000 1.049 -27 V CB -0.873 30.755 31.823 -0.325 0.000 0.672 -27 V HN 0.652 nan 8.190 nan 0.000 0.457 -26 R N 0.321 120.807 120.500 -0.024 0.000 2.094 -26 R HA -0.221 4.120 4.340 0.000 0.000 0.239 -26 R C 2.380 178.613 176.300 -0.111 0.000 1.137 -26 R CA 2.474 58.555 56.100 -0.032 0.000 0.943 -26 R CB -0.656 29.604 30.300 -0.067 0.000 0.850 -26 R HN 0.556 nan 8.270 nan 0.000 0.433 -25 T N 0.615 115.033 114.554 -0.228 0.000 2.684 -25 T HA -0.180 4.170 4.350 0.000 0.000 0.267 -25 T C 1.864 176.508 174.700 -0.094 0.000 1.036 -25 T CA 1.555 63.535 62.100 -0.200 0.000 1.148 -25 T CB -0.436 68.281 68.868 -0.253 0.000 0.863 -25 T HN 0.507 nan 8.240 nan 0.000 0.436 -24 A N 0.989 123.768 122.820 -0.068 0.000 1.877 -24 A HA -0.044 4.276 4.320 0.000 0.000 0.216 -24 A C 2.640 180.216 177.584 -0.013 0.000 1.186 -24 A CA 1.507 53.525 52.037 -0.032 0.000 0.620 -24 A CB -1.088 17.900 19.000 -0.020 0.000 0.822 -24 A HN 0.346 nan 8.150 nan 0.000 0.443 -23 V N 0.201 120.119 119.914 0.006 0.000 2.295 -23 V HA -0.277 3.843 4.120 0.000 0.000 0.246 -23 V C 2.435 178.532 176.094 0.004 0.000 1.049 -23 V CA 2.118 64.434 62.300 0.026 0.000 1.024 -23 V CB -0.713 31.156 31.823 0.078 0.000 0.648 -23 V HN 0.566 nan 8.190 nan 0.000 0.447 -22 I N 0.309 120.873 120.570 -0.010 0.000 2.252 -22 I HA -0.208 3.963 4.170 0.000 0.000 0.245 -22 I C 2.351 178.454 176.117 -0.025 0.000 1.102 -22 I CA 1.449 62.737 61.300 -0.020 0.000 1.385 -22 I CB -0.527 37.455 38.000 -0.031 0.000 1.064 -22 I HN 0.331 nan 8.210 nan 0.000 0.414 -21 N N 1.160 119.843 118.700 -0.028 0.000 2.104 -21 N HA -0.164 4.577 4.740 0.000 0.000 0.190 -21 N C 1.862 177.360 175.510 -0.019 0.000 1.024 -21 N CA 1.746 54.781 53.050 -0.024 0.000 0.853 -21 N CB -0.430 38.042 38.487 -0.025 0.000 1.008 -21 N HN 0.374 nan 8.380 nan 0.000 0.424 -20 A N 0.506 123.316 122.820 -0.017 0.000 1.898 -20 A HA 0.103 4.424 4.320 0.000 0.000 0.216 -20 A C 2.301 179.873 177.584 -0.020 0.000 1.181 -20 A CA 1.776 53.804 52.037 -0.015 0.000 0.620 -20 A CB -0.937 18.056 19.000 -0.011 0.000 0.819 -20 A HN 0.306 nan 8.150 nan 0.000 0.442 -19 A N 0.396 123.203 122.820 -0.021 0.000 1.902 -19 A HA -0.113 4.207 4.320 0.000 0.000 0.217 -19 A C 2.443 180.008 177.584 -0.031 0.000 1.181 -19 A CA 2.398 54.418 52.037 -0.029 0.000 0.623 -19 A CB -0.911 18.071 19.000 -0.029 0.000 0.818 -19 A HN 1.026 nan 8.150 nan 0.000 0.443 -18 S N -2.268 113.416 115.700 -0.027 0.000 2.527 -18 S HA 0.366 4.837 4.470 0.000 0.000 0.222 -18 S C 1.464 176.050 174.600 -0.024 0.000 0.985 -18 S CA 1.113 59.297 58.200 -0.027 0.000 0.921 -18 S CB -0.128 63.057 63.200 -0.024 0.000 0.772 -18 S HN 1.961 nan 8.310 nan 0.000 0.529 -17 G N 1.559 110.346 108.800 -0.023 0.000 2.175 -17 G HA2 -0.299 3.662 3.960 0.000 0.000 0.244 -17 G HA3 -0.299 3.662 3.960 0.000 0.000 0.244 -17 G C 0.897 175.788 174.900 -0.016 0.000 0.982 -17 G CA 0.287 45.375 45.100 -0.020 0.000 0.641 -17 G HN 0.490 nan 8.290 nan 0.000 0.527 -16 R N -0.206 120.285 120.500 -0.016 0.000 2.120 -16 R HA 0.048 4.388 4.340 0.000 0.000 0.234 -16 R C 1.127 177.420 176.300 -0.010 0.000 1.123 -16 R CA 1.655 57.747 56.100 -0.013 0.000 0.975 -16 R CB -0.004 30.287 30.300 -0.014 0.000 0.866 -16 R HN 0.591 nan 8.270 nan 0.000 0.446 -15 Q N -0.931 118.862 119.800 -0.011 0.000 2.379 -15 Q HA 0.174 4.515 4.340 0.000 0.000 0.278 -15 Q C -0.872 175.123 176.000 -0.008 0.000 1.068 -15 Q CA -0.617 55.182 55.803 -0.008 0.000 0.816 -15 Q CB 2.436 31.170 28.738 -0.007 0.000 1.387 -15 Q HN 0.107 nan 8.270 nan 0.000 0.413 -14 T N -2.369 112.183 114.554 -0.005 0.000 2.748 -14 T HA 0.100 4.451 4.350 0.000 0.000 0.304 -14 T C 1.421 176.119 174.700 -0.003 0.000 1.041 -14 T CA -0.517 61.581 62.100 -0.004 0.000 1.033 -14 T CB 0.437 69.305 68.868 -0.000 0.000 0.995 -14 T HN 0.337 nan 8.240 nan 0.000 0.536 -13 V N 1.548 121.461 119.914 -0.001 0.000 2.252 -13 V HA -0.212 3.908 4.120 0.000 0.000 0.249 -13 V C 2.579 178.675 176.094 0.003 0.000 1.056 -13 V CA 2.379 64.680 62.300 0.000 0.000 1.022 -13 V CB -1.049 30.776 31.823 0.004 0.000 0.641 -13 V HN 0.877 nan 8.190 nan 0.000 0.445 -12 D N -0.051 120.352 120.400 0.006 0.000 2.103 -12 D HA -0.201 4.439 4.640 0.000 0.000 0.190 -12 D C 2.212 178.516 176.300 0.007 0.000 0.997 -12 D CA 1.756 55.760 54.000 0.007 0.000 0.833 -12 D CB -0.380 40.426 40.800 0.009 0.000 0.961 -12 D HN 0.581 nan 8.370 nan 0.000 0.447 -11 E N 0.386 120.589 120.200 0.006 0.000 2.058 -11 E HA -0.182 4.168 4.350 0.000 0.000 0.194 -11 E C 2.104 178.707 176.600 0.005 0.000 0.997 -11 E CA 1.229 57.632 56.400 0.006 0.000 0.801 -11 E CB -0.128 29.575 29.700 0.004 0.000 0.746 -11 E HN 0.246 nan 8.360 nan 0.000 0.450 -10 A N 1.012 123.833 122.820 0.001 0.000 1.858 -10 A HA -0.153 4.167 4.320 0.000 0.000 0.216 -10 A C 2.198 179.782 177.584 -0.001 0.000 1.190 -10 A CA 1.121 53.156 52.037 -0.003 0.000 0.617 -10 A CB -0.659 18.337 19.000 -0.007 0.000 0.827 -10 A HN 0.140 nan 8.150 nan 0.000 0.443 -9 L N -1.038 120.187 121.223 0.002 0.000 2.141 -9 L HA -0.148 4.192 4.340 0.000 0.000 0.209 -9 L C 2.561 179.436 176.870 0.008 0.000 1.094 -9 L CA 1.573 56.415 54.840 0.004 0.000 0.763 -9 L CB -0.306 41.755 42.059 0.003 0.000 0.908 -9 L HN 0.343 nan 8.230 nan 0.000 0.437 -8 K N 0.520 120.926 120.400 0.011 0.000 2.026 -8 K HA -0.188 4.132 4.320 0.000 0.000 0.208 -8 K C 1.643 178.257 176.600 0.024 0.000 1.048 -8 K CA 1.611 57.908 56.287 0.018 0.000 0.929 -8 K CB -0.191 32.320 32.500 0.018 0.000 0.713 -8 K HN 0.134 nan 8.250 nan 0.000 0.439 -7 D N -0.108 120.304 120.400 0.020 0.000 2.117 -7 D HA -0.114 4.526 4.640 0.000 0.000 0.197 -7 D C 1.703 178.021 176.300 0.030 0.000 0.987 -7 D CA 1.503 55.519 54.000 0.025 0.000 0.829 -7 D CB -0.311 40.499 40.800 0.017 0.000 0.961 -7 D HN 0.341 nan 8.370 nan 0.000 0.460 -6 A N 0.691 123.521 122.820 0.015 0.000 1.898 -6 A HA -0.230 4.090 4.320 0.000 0.000 0.216 -6 A C 2.134 179.735 177.584 0.027 0.000 1.181 -6 A CA 1.962 54.005 52.037 0.009 0.000 0.620 -6 A CB -0.667 18.320 19.000 -0.021 0.000 0.819 -6 A HN 0.198 nan 8.150 nan 0.000 0.442 -5 Q N 0.083 119.900 119.800 0.027 0.000 2.014 -5 Q HA -0.184 4.156 4.340 0.000 0.000 0.207 -5 Q C 1.913 177.951 176.000 0.064 0.000 0.993 -5 Q CA 3.155 58.980 55.803 0.037 0.000 0.850 -5 Q CB -1.264 27.490 28.738 0.027 0.000 0.916 -5 Q HN 0.496 nan 8.270 nan 0.000 0.417 -4 T N 0.535 115.128 114.554 0.065 0.000 2.759 -4 T HA -0.135 4.215 4.350 0.000 0.000 0.269 -4 T C 1.460 176.221 174.700 0.103 0.000 1.042 -4 T CA 1.615 63.767 62.100 0.085 0.000 1.140 -4 T CB -0.452 68.464 68.868 0.080 0.000 0.864 -4 T HN 0.500 nan 8.240 nan 0.000 0.455 -3 N N 0.963 119.718 118.700 0.093 0.000 2.135 -3 N HA 0.065 4.805 4.740 0.000 0.000 0.186 -3 N C 2.324 177.913 175.510 0.131 0.000 1.027 -3 N CA 0.791 53.907 53.050 0.110 0.000 0.849 -3 N CB -0.217 38.339 38.487 0.115 0.000 1.002 -3 N HN 0.332 nan 8.380 nan 0.000 0.425 -2 A N 1.569 124.464 122.820 0.125 0.000 1.851 -2 A HA 0.063 4.383 4.320 0.000 0.000 0.216 -2 A C 1.247 178.975 177.584 0.240 0.000 1.195 -2 A CA 1.310 53.451 52.037 0.174 0.000 0.622 -2 A CB -0.926 18.153 19.000 0.132 0.000 0.831 -2 A HN 0.355 nan 8.150 nan 0.000 0.444 -1 A N -0.538 122.405 122.820 0.205 0.000 2.440 -1 A HA 0.534 4.854 4.320 0.000 0.000 0.251 -1 A C 0.690 178.372 177.584 0.163 0.000 1.089 -1 A CA 0.197 52.361 52.037 0.212 0.000 0.779 -1 A CB -0.107 18.999 19.000 0.177 0.000 1.022 -1 A HN 1.458 nan 8.150 nan 0.000 0.492 0 A N 2.202 125.108 122.820 0.143 0.000 3.052 0 A HA 0.267 4.587 4.320 0.000 0.000 0.266 0 A C 1.073 178.740 177.584 0.140 0.000 1.855 0 A CA 0.555 52.670 52.037 0.130 0.000 1.473 0 A CB -0.803 18.252 19.000 0.091 0.000 1.038 0 A HN 1.021 nan 8.150 nan 0.000 0.619 1 E N 1.090 121.380 120.200 0.151 0.000 2.072 1 E HA -0.171 4.179 4.350 0.000 0.000 0.190 1 E C 1.317 177.996 176.600 0.132 0.000 0.982 1 E CA 1.136 57.614 56.400 0.129 0.000 0.803 1 E CB -0.215 29.556 29.700 0.118 0.000 0.755 1 E HN 0.678 nan 8.360 nan 0.000 0.453 2 F N 1.162 121.125 119.950 0.022 0.000 2.091 2 F HA -0.250 4.277 4.527 0.000 0.000 0.299 2 F C 2.106 177.904 175.800 -0.003 0.000 1.103 2 F CA 1.968 59.957 58.000 -0.018 0.000 1.228 2 F CB -0.582 38.388 39.000 -0.050 0.000 0.984 2 F HN 0.157 nan 8.300 nan 0.000 0.477 3 A N -0.073 122.869 122.820 0.205 0.000 1.933 3 A HA -0.049 4.271 4.320 0.000 0.000 0.218 3 A C 2.336 179.968 177.584 0.080 0.000 1.175 3 A CA 1.639 53.766 52.037 0.150 0.000 0.628 3 A CB -1.475 17.629 19.000 0.174 0.000 0.814 3 A HN 0.491 nan 8.150 nan 0.000 0.444 4 A N -0.790 122.068 122.820 0.064 0.000 1.969 4 A HA 0.075 4.395 4.320 0.000 0.000 0.218 4 A C 2.082 179.698 177.584 0.053 0.000 1.169 4 A CA 1.607 53.688 52.037 0.073 0.000 0.635 4 A CB -0.406 18.632 19.000 0.063 0.000 0.810 4 A HN 0.693 nan 8.150 nan 0.000 0.445 5 L N -1.199 120.001 121.223 -0.037 0.000 2.162 5 L HA 0.119 4.459 4.340 0.000 0.000 0.205 5 L C 2.077 178.853 176.870 -0.157 0.000 1.086 5 L CA 1.457 56.235 54.840 -0.103 0.000 0.778 5 L CB -0.454 41.511 42.059 -0.156 0.000 0.928 5 L HN 0.276 nan 8.230 nan 0.000 0.446 6 L N -0.746 120.335 121.223 -0.238 0.000 2.093 6 L HA -0.182 4.158 4.340 0.000 0.000 0.208 6 L C 2.515 179.364 176.870 -0.035 0.000 1.085 6 L CA 2.048 56.764 54.840 -0.206 0.000 0.755 6 L CB -0.841 41.054 42.059 -0.273 0.000 0.904 6 L HN 0.526 nan 8.230 nan 0.000 0.435 7 H N -0.747 118.290 119.070 -0.055 0.000 2.321 7 H HA -0.115 4.441 4.556 0.000 0.000 0.300 7 H C 2.362 177.677 175.328 -0.021 0.000 1.087 7 H CA 1.825 57.868 56.048 -0.008 0.000 1.319 7 H CB -0.134 29.638 29.762 0.017 0.000 1.379 7 H HN 0.559 nan 8.280 nan 0.000 0.501 8 S N -0.174 115.494 115.700 -0.054 0.000 2.428 8 S HA -0.078 4.392 4.470 0.000 0.000 0.230 8 S C 2.258 176.784 174.600 -0.124 0.000 1.014 8 S CA 0.942 59.078 58.200 -0.107 0.000 0.957 8 S CB -0.483 62.701 63.200 -0.027 0.000 0.784 8 S HN 0.408 nan 8.310 nan 0.000 0.499 9 L N 0.683 121.840 121.223 -0.110 0.000 2.027 9 L HA -0.023 4.317 4.340 0.000 0.000 0.206 9 L C 2.595 179.398 176.870 -0.111 0.000 1.074 9 L CA 1.268 56.048 54.840 -0.101 0.000 0.745 9 L CB -0.633 41.365 42.059 -0.102 0.000 0.898 9 L HN 0.330 nan 8.230 nan 0.000 0.433 10 L N -0.778 120.365 121.223 -0.133 0.000 2.056 10 L HA -0.174 4.167 4.340 0.000 0.000 0.207 10 L C 2.646 179.411 176.870 -0.175 0.000 1.078 10 L CA 1.089 55.847 54.840 -0.137 0.000 0.749 10 L CB -0.622 41.369 42.059 -0.114 0.000 0.901 10 L HN 0.288 nan 8.230 nan 0.000 0.433 11 E N 0.680 120.724 120.200 -0.261 0.000 2.038 11 E HA -0.276 4.075 4.350 0.000 0.000 0.195 11 E C 2.334 178.863 176.600 -0.117 0.000 1.000 11 E CA 1.446 57.720 56.400 -0.210 0.000 0.803 11 E CB -0.272 29.286 29.700 -0.237 0.000 0.750 11 E HN 0.500 nan 8.360 nan 0.000 0.448 12 A N 1.851 124.610 122.820 -0.102 0.000 1.903 12 A HA -0.310 4.010 4.320 0.000 0.000 0.219 12 A C 1.980 179.528 177.584 -0.061 0.000 1.191 12 A CA 2.289 54.285 52.037 -0.068 0.000 0.638 12 A CB -0.939 18.024 19.000 -0.062 0.000 0.823 12 A HN 0.290 nan 8.150 nan 0.000 0.451 13 N N -1.550 117.108 118.700 -0.071 0.000 2.396 13 N HA -0.116 4.624 4.740 0.000 0.000 0.180 13 N C 1.487 176.962 175.510 -0.057 0.000 1.028 13 N CA 1.399 54.413 53.050 -0.061 0.000 0.893 13 N CB -0.386 38.061 38.487 -0.067 0.000 0.967 13 N HN 0.483 nan 8.380 nan 0.000 0.440 14 c N -1.179 117.382 118.600 -0.064 0.000 2.512 14 c HA 0.295 4.865 4.570 0.000 0.000 0.276 14 c C 2.523 176.596 174.090 -0.028 0.000 1.368 14 c CA 0.295 56.592 56.329 -0.054 0.000 1.755 14 c CB -1.268 41.202 42.510 -0.066 0.000 2.008 14 c HN 0.426 nan 8.230 nan 0.000 0.511 15 S N 0.867 116.549 115.700 -0.029 0.000 2.371 15 S HA -0.029 4.441 4.470 0.000 0.000 0.224 15 S C 1.617 176.210 174.600 -0.012 0.000 1.029 15 S CA 1.119 59.311 58.200 -0.014 0.000 0.978 15 S CB -0.311 62.878 63.200 -0.018 0.000 0.833 15 S HN 0.614 nan 8.310 nan 0.000 0.466 16 L N 1.154 122.364 121.223 -0.022 0.000 2.083 16 L HA -0.093 4.247 4.340 0.000 0.000 0.209 16 L C 2.580 179.441 176.870 -0.015 0.000 1.083 16 L CA 1.235 56.063 54.840 -0.020 0.000 0.752 16 L CB -0.456 41.587 42.059 -0.027 0.000 0.899 16 L HN 0.328 nan 8.230 nan 0.000 0.433 17 A N -0.823 121.987 122.820 -0.017 0.000 1.969 17 A HA -0.177 4.143 4.320 0.000 0.000 0.218 17 A C 2.123 179.706 177.584 -0.002 0.000 1.169 17 A CA 1.321 53.350 52.037 -0.013 0.000 0.635 17 A CB -0.558 18.429 19.000 -0.021 0.000 0.810 17 A HN 0.327 nan 8.150 nan 0.000 0.445 18 L N -0.148 121.078 121.223 0.005 0.000 2.027 18 L HA -0.011 4.330 4.340 0.000 0.000 0.206 18 L C 2.671 179.552 176.870 0.017 0.000 1.074 18 L CA 2.076 56.925 54.840 0.016 0.000 0.745 18 L CB -1.003 41.072 42.059 0.027 0.000 0.898 18 L HN 0.339 nan 8.230 nan 0.000 0.433 19 A N -0.557 122.271 122.820 0.014 0.000 1.873 19 A HA -0.300 4.020 4.320 0.000 0.000 0.218 19 A C 2.199 179.796 177.584 0.023 0.000 1.193 19 A CA 2.189 54.236 52.037 0.017 0.000 0.629 19 A CB -0.857 18.143 19.000 -0.001 0.000 0.826 19 A HN 0.598 nan 8.150 nan 0.000 0.447 20 E N -0.913 119.293 120.200 0.011 0.000 2.085 20 E HA -0.214 4.136 4.350 0.000 0.000 0.194 20 E C 2.111 178.726 176.600 0.025 0.000 0.994 20 E CA 1.423 57.831 56.400 0.014 0.000 0.801 20 E CB -0.127 29.574 29.700 0.002 0.000 0.743 20 E HN 0.778 nan 8.360 nan 0.000 0.453 21 E N 0.415 120.622 120.200 0.011 0.000 2.031 21 E HA -0.173 4.177 4.350 0.000 0.000 0.193 21 E C 2.069 178.674 176.600 0.008 0.000 0.994 21 E CA 0.811 57.207 56.400 -0.007 0.000 0.800 21 E CB 0.021 29.701 29.700 -0.034 0.000 0.752 21 E HN 0.164 nan 8.360 nan 0.000 0.447 22 L N 0.867 122.111 121.223 0.034 0.000 2.042 22 L HA -0.205 4.135 4.340 0.000 0.000 0.210 22 L C 2.574 179.570 176.870 0.211 0.000 1.076 22 L CA 0.647 55.537 54.840 0.084 0.000 0.749 22 L CB -0.475 41.650 42.059 0.110 0.000 0.893 22 L HN 0.333 nan 8.230 nan 0.000 0.432 23 L N 0.021 121.373 121.223 0.215 0.000 2.046 23 L HA -0.224 4.117 4.340 0.000 0.000 0.208 23 L C 2.429 179.489 176.870 0.317 0.000 1.077 23 L CA 1.917 56.939 54.840 0.304 0.000 0.747 23 L CB -0.313 41.805 42.059 0.099 0.000 0.896 23 L HN 0.286 nan 8.230 nan 0.000 0.432 24 L N -0.018 121.298 121.223 0.156 0.000 1.988 24 L HA -0.216 4.124 4.340 0.000 0.000 0.207 24 L C 2.296 179.209 176.870 0.071 0.000 1.071 24 L CA 1.687 56.590 54.840 0.105 0.000 0.744 24 L CB -0.963 41.126 42.059 0.049 0.000 0.893 24 L HN 0.347 nan 8.230 nan 0.000 0.433 25 D N -0.050 120.363 120.400 0.022 0.000 2.411 25 D HA -0.127 4.513 4.640 0.000 0.000 0.226 25 D C 1.295 177.522 176.300 -0.121 0.000 0.988 25 D CA 1.245 55.218 54.000 -0.045 0.000 0.938 25 D CB 0.300 41.051 40.800 -0.081 0.000 0.883 25 D HN 0.403 nan 8.370 nan 0.000 0.525 26 G N -0.647 108.067 108.800 -0.144 0.000 2.766 26 G HA2 0.003 3.963 3.960 0.000 0.000 0.201 26 G HA3 0.003 3.963 3.960 0.000 0.000 0.201 26 G C 1.086 175.685 174.900 -0.502 0.000 1.177 26 G CA -0.207 44.556 45.100 -0.562 0.000 0.773 26 G HN 0.302 nan 8.290 nan 0.000 0.648 27 W N 2.196 123.489 121.300 -0.013 0.000 3.127 27 W HA 0.394 5.054 4.660 0.000 0.000 0.344 27 W C 1.061 177.575 176.519 -0.008 0.000 1.151 27 W CA -0.615 56.724 57.345 -0.009 0.000 1.765 27 W CB 0.316 29.771 29.460 -0.008 0.000 1.085 27 W HN 0.238 nan 8.180 nan 0.000 0.596 28 G N 2.013 110.921 108.800 0.180 0.000 2.606 28 G HA2 0.307 4.267 3.960 0.000 0.000 0.252 28 G HA3 0.307 4.267 3.960 0.000 0.000 0.252 28 G C -2.301 172.631 174.900 0.053 0.000 1.206 28 G CA -0.659 44.501 45.100 0.100 0.000 0.861 28 G HN -0.242 nan 8.290 nan 0.000 0.561 29 P HA 0.122 nan 4.420 nan 0.000 0.267 29 P C -1.596 175.707 177.300 0.005 0.000 1.201 29 P CA -0.650 62.462 63.100 0.021 0.000 0.775 29 P CB -0.272 31.440 31.700 0.020 0.000 0.854 37 Y N 0.956 121.107 120.300 -0.248 0.000 2.471 37 Y HA 0.239 4.789 4.550 0.000 0.000 0.286 37 Y C 0.518 176.288 175.900 -0.216 0.000 1.188 37 Y CA 0.923 58.923 58.100 -0.166 0.000 1.286 37 Y CB 0.590 38.990 38.460 -0.100 0.000 1.072 37 Y HN 0.333 nan 8.280 nan 0.000 0.517 38 S N -0.750 114.785 115.700 -0.276 0.000 2.204 38 S HA 0.332 4.802 4.470 0.000 0.000 0.178 38 S C -1.127 173.258 174.600 -0.358 0.000 1.493 38 S CA -0.674 57.404 58.200 -0.203 0.000 1.266 38 S CB -0.932 62.161 63.200 -0.179 0.000 1.232 38 S HN 0.147 nan 8.310 nan 0.000 0.406 39 Y N 0.106 120.384 120.300 -0.036 0.000 2.354 39 Y HA 0.489 5.039 4.550 0.000 0.000 0.322 39 Y C 0.980 176.789 175.900 -0.152 0.000 1.253 39 Y CA -1.433 56.613 58.100 -0.089 0.000 1.272 39 Y CB 0.522 38.952 38.460 -0.049 0.000 1.255 39 Y HN 0.401 nan 8.280 nan 0.000 0.500 40 c N 2.414 120.941 118.600 -0.123 0.000 2.499 40 c HA 0.214 4.785 4.570 0.000 0.000 0.386 40 c C 0.327 174.463 174.090 0.076 0.000 1.293 40 c CA -1.056 55.046 56.329 -0.378 0.000 1.884 40 c CB -1.480 40.144 42.510 -1.475 0.000 2.509 40 c HN 0.774 nan 8.230 nan 0.000 0.566 41 N N 1.280 120.129 118.700 0.249 0.000 2.529 41 N HA 0.221 4.961 4.740 0.000 0.000 0.278 41 N C -0.063 175.721 175.510 0.457 0.000 1.146 41 N CA -0.038 53.192 53.050 0.299 0.000 0.980 41 N CB 0.617 39.228 38.487 0.207 0.000 1.124 41 N HN 0.632 nan 8.380 nan 0.000 0.458 42 T N 1.753 116.485 114.554 0.296 0.000 2.867 42 T HA -0.017 4.333 4.350 0.000 0.000 0.290 42 T C -0.022 174.794 174.700 0.193 0.000 1.025 42 T CA 0.547 62.790 62.100 0.239 0.000 1.146 42 T CB 0.018 68.961 68.868 0.126 0.000 1.024 42 T HN 0.361 nan 8.240 nan 0.000 0.519 43 T N 2.695 117.323 114.554 0.123 0.000 2.894 43 T HA 0.527 4.877 4.350 0.000 0.000 0.309 43 T C -1.394 173.323 174.700 0.029 0.000 1.208 43 T CA -0.691 61.439 62.100 0.051 0.000 1.016 43 T CB 1.569 70.407 68.868 -0.050 0.000 1.192 43 T HN 0.449 nan 8.240 nan 0.000 0.491 44 L N 4.008 125.251 121.223 0.034 0.000 2.319 44 L HA 0.567 4.907 4.340 0.000 0.000 0.281 44 L C -0.310 176.611 176.870 0.085 0.000 1.005 44 L CA -0.492 54.365 54.840 0.029 0.000 0.828 44 L CB 0.865 42.923 42.059 -0.002 0.000 1.227 44 L HN 0.735 nan 8.230 nan 0.000 0.415 45 D N 2.817 123.295 120.400 0.131 0.000 2.414 45 D HA 0.049 4.690 4.640 0.000 0.000 0.251 45 D C 0.440 176.807 176.300 0.111 0.000 1.252 45 D CA -0.250 53.840 54.000 0.151 0.000 0.999 45 D CB 0.507 41.479 40.800 0.287 0.000 1.093 45 D HN 0.576 nan 8.370 nan 0.000 0.515 46 Q N -0.243 119.602 119.800 0.074 0.000 2.466 46 Q HA 0.074 4.414 4.340 0.000 0.000 0.210 46 Q C 1.113 177.142 176.000 0.048 0.000 0.961 46 Q CA 0.652 56.492 55.803 0.061 0.000 0.953 46 Q CB -0.350 28.411 28.738 0.038 0.000 1.011 46 Q HN 0.650 nan 8.270 nan 0.000 0.516 47 I N -0.712 119.841 120.570 -0.028 0.000 4.139 47 I HA 0.224 4.394 4.170 0.000 0.000 0.335 47 I C 0.883 177.003 176.117 0.004 0.000 1.327 47 I CA 0.410 61.600 61.300 -0.183 0.000 1.112 47 I CB 0.684 38.237 38.000 -0.745 0.000 1.058 47 I HN 0.329 nan 8.210 nan 0.000 0.396 48 G N 1.429 110.271 108.800 0.069 0.000 2.176 48 G HA2 -0.217 3.744 3.960 0.000 0.000 0.232 48 G HA3 -0.217 3.744 3.960 0.000 0.000 0.232 48 G C 0.310 175.180 174.900 -0.050 0.000 0.986 48 G CA 0.114 45.259 45.100 0.075 0.000 0.643 48 G HN 0.266 nan 8.290 nan 0.000 0.522 49 T N 0.629 115.112 114.554 -0.118 0.000 2.832 49 T HA 0.418 4.768 4.350 0.000 0.000 0.296 49 T C 0.510 174.929 174.700 -0.468 0.000 0.968 49 T CA 0.392 62.279 62.100 -0.356 0.000 1.107 49 T CB 1.863 70.402 68.868 -0.548 0.000 0.916 49 T HN 0.884 nan 8.240 nan 0.000 0.517 50 c N 6.216 124.538 118.600 -0.464 0.000 2.265 50 c HA 0.543 5.113 4.570 0.000 0.000 0.332 50 c C -0.461 173.339 174.090 -0.483 0.000 1.248 50 c CA -1.331 54.797 56.329 -0.335 0.000 1.727 50 c CB -1.564 40.831 42.510 -0.192 0.000 2.348 50 c HN 0.915 nan 8.230 nan 0.000 0.519 51 W N 8.200 129.371 121.300 -0.215 0.000 2.335 51 W HA 0.379 5.039 4.660 0.000 0.000 0.306 51 W C -1.824 174.660 176.519 -0.057 0.000 1.216 51 W CA -2.347 54.834 57.345 -0.274 0.000 1.237 51 W CB 0.412 29.389 29.460 -0.805 0.000 1.243 51 W HN 0.587 nan 8.180 nan 0.000 0.493 52 P HA 0.105 nan 4.420 nan 0.000 0.276 52 P C -0.306 177.227 177.300 0.387 0.000 1.244 52 P CA -0.674 62.567 63.100 0.235 0.000 0.801 52 P CB 0.759 32.544 31.700 0.141 0.000 1.006 53 R N 1.313 121.956 120.500 0.237 0.000 2.485 53 R HA 0.163 4.504 4.340 0.000 0.000 0.304 53 R C -0.404 175.973 176.300 0.128 0.000 0.934 53 R CA 0.950 57.150 56.100 0.168 0.000 1.102 53 R CB -0.317 29.963 30.300 -0.033 0.000 0.906 53 R HN 0.474 nan 8.270 nan 0.000 0.407 54 S N 2.045 117.839 115.700 0.157 0.000 2.569 54 S HA 0.567 5.037 4.470 0.000 0.000 0.280 54 S C -0.978 173.730 174.600 0.180 0.000 1.111 54 S CA -0.699 57.582 58.200 0.136 0.000 0.887 54 S CB 2.045 65.308 63.200 0.106 0.000 1.095 54 S HN 0.778 nan 8.310 nan 0.000 0.476 55 A N 1.463 124.402 122.820 0.199 0.000 2.425 55 A HA 0.644 4.964 4.320 0.000 0.000 0.249 55 A C 0.580 178.122 177.584 -0.071 0.000 1.084 55 A CA -0.195 51.900 52.037 0.097 0.000 0.781 55 A CB -0.274 18.779 19.000 0.088 0.000 1.019 55 A HN 1.195 nan 8.150 nan 0.000 0.490 56 A N 1.350 124.084 122.820 -0.143 0.000 2.548 56 A HA 0.467 4.787 4.320 0.000 0.000 0.247 56 A C 1.599 179.116 177.584 -0.111 0.000 1.067 56 A CA 0.912 52.854 52.037 -0.158 0.000 0.757 56 A CB -0.814 18.093 19.000 -0.155 0.000 0.996 56 A HN 2.734 nan 8.150 nan 0.000 0.504 57 G N 1.014 109.749 108.800 -0.108 0.000 2.232 57 G HA2 0.168 4.128 3.960 0.000 0.000 0.226 57 G HA3 0.168 4.128 3.960 0.000 0.000 0.226 57 G C 0.604 175.478 174.900 -0.043 0.000 0.996 57 G CA 0.277 45.337 45.100 -0.067 0.000 0.626 57 G HN 2.210 nan 8.290 nan 0.000 0.509 58 A N 1.349 124.141 122.820 -0.046 0.000 2.440 58 A HA 0.619 4.939 4.320 0.000 0.000 0.251 58 A C 0.438 178.040 177.584 0.031 0.000 1.089 58 A CA 0.080 52.121 52.037 0.005 0.000 0.779 58 A CB 0.566 19.583 19.000 0.029 0.000 1.022 58 A HN 1.065 nan 8.150 nan 0.000 0.492 59 L N 4.452 125.716 121.223 0.070 0.000 2.264 59 L HA 0.522 4.862 4.340 0.000 0.000 0.289 59 L C -0.912 176.069 176.870 0.184 0.000 1.044 59 L CA -0.169 54.739 54.840 0.114 0.000 0.807 59 L CB 1.177 43.295 42.059 0.097 0.000 1.192 59 L HN 0.464 nan 8.230 nan 0.000 0.425 60 V N 5.119 125.181 119.914 0.246 0.000 2.459 60 V HA 0.408 4.528 4.120 0.000 0.000 0.295 60 V C -0.211 176.087 176.094 0.340 0.000 1.029 60 V CA -0.823 61.666 62.300 0.316 0.000 0.874 60 V CB 2.068 34.176 31.823 0.474 0.000 0.985 60 V HN 0.729 nan 8.190 nan 0.000 0.438 61 E N 4.650 124.968 120.200 0.196 0.000 2.179 61 E HA 0.699 5.049 4.350 0.000 0.000 0.275 61 E C -0.882 175.674 176.600 -0.072 0.000 0.945 61 E CA -0.935 55.435 56.400 -0.049 0.000 0.792 61 E CB 2.047 31.658 29.700 -0.147 0.000 1.125 61 E HN 0.372 nan 8.360 nan 0.000 0.397 62 R N 2.130 122.474 120.500 -0.260 0.000 2.725 62 R HA 0.411 4.752 4.340 0.000 0.000 0.277 62 R C -2.744 173.345 176.300 -0.352 0.000 0.987 62 R CA -2.428 53.449 56.100 -0.371 0.000 0.901 62 R CB 1.625 31.485 30.300 -0.733 0.000 1.207 62 R HN 0.386 nan 8.270 nan 0.000 0.463 63 P HA 0.089 nan 4.420 nan 0.000 0.269 63 P C -0.088 177.105 177.300 -0.179 0.000 1.215 63 P CA -0.317 62.677 63.100 -0.177 0.000 0.780 63 P CB 0.440 32.074 31.700 -0.110 0.000 0.898 64 c N 4.043 122.581 118.600 -0.104 0.000 2.665 64 c HA 0.104 4.674 4.570 0.000 0.000 0.416 64 c C -1.584 172.496 174.090 -0.017 0.000 1.305 64 c CA -0.589 55.715 56.329 -0.043 0.000 1.903 64 c CB -1.230 41.295 42.510 0.025 0.000 2.704 64 c HN 0.555 nan 8.230 nan 0.000 0.629 65 P HA -0.045 nan 4.420 nan 0.000 0.264 65 P C 0.349 177.733 177.300 0.139 0.000 1.179 65 P CA 0.725 63.840 63.100 0.026 0.000 0.763 65 P CB 0.460 32.132 31.700 -0.047 0.000 0.806 66 E N 1.488 121.795 120.200 0.179 0.000 2.230 66 E HA -0.094 4.256 4.350 0.000 0.000 0.192 66 E C -0.239 176.582 176.600 0.368 0.000 0.987 66 E CA 0.449 56.988 56.400 0.232 0.000 0.841 66 E CB 0.204 30.007 29.700 0.172 0.000 0.783 66 E HN 0.523 nan 8.360 nan 0.000 0.481 67 Y N -0.783 119.668 120.300 0.251 0.000 2.504 67 Y HA 0.423 4.973 4.550 0.000 0.000 0.344 67 Y C -1.917 174.215 175.900 0.386 0.000 1.023 67 Y CA -1.216 57.070 58.100 0.311 0.000 1.020 67 Y CB 1.501 40.120 38.460 0.266 0.000 1.282 67 Y HN -0.112 nan 8.280 nan 0.000 0.454 68 F N 5.793 125.409 119.950 -0.556 0.000 2.639 68 F HA 0.308 4.835 4.527 0.000 0.000 0.326 68 F C -0.952 174.552 175.800 -0.494 0.000 1.150 68 F CA -1.032 56.730 58.000 -0.396 0.000 1.057 68 F CB 1.007 39.871 39.000 -0.228 0.000 1.300 68 F HN 0.673 nan 8.300 nan 0.000 0.486 69 N N 4.319 122.331 118.700 -1.146 0.000 2.691 69 N HA -0.154 4.587 4.740 0.000 0.000 0.277 69 N C 1.028 176.248 175.510 -0.483 0.000 1.029 69 N CA 1.889 54.499 53.050 -0.735 0.000 0.798 69 N CB -0.770 37.246 38.487 -0.784 0.000 0.922 69 N HN 1.486 nan 8.380 nan 0.000 0.562 70 G N -2.464 106.046 108.800 -0.483 0.000 2.175 70 G HA2 -0.308 3.652 3.960 0.000 0.000 0.265 70 G HA3 -0.308 3.652 3.960 0.000 0.000 0.265 70 G C 0.065 174.839 174.900 -0.210 0.000 0.979 70 G CA 0.620 45.613 45.100 -0.178 0.000 0.663 70 G HN 0.599 nan 8.290 nan 0.000 0.533 71 V N 0.717 120.422 119.914 -0.349 0.000 2.604 71 V HA 0.517 4.637 4.120 0.000 0.000 0.305 71 V C 0.238 176.237 176.094 -0.159 0.000 1.043 71 V CA -1.276 60.896 62.300 -0.214 0.000 0.888 71 V CB 1.987 33.695 31.823 -0.191 0.000 0.995 71 V HN 0.187 nan 8.190 nan 0.000 0.429 72 K N 3.026 123.339 120.400 -0.145 0.000 2.172 72 K HA 0.523 4.843 4.320 0.000 0.000 0.276 72 K C -1.482 174.967 176.600 -0.253 0.000 1.013 72 K CA -0.302 55.975 56.287 -0.016 0.000 0.913 72 K CB 1.469 33.988 32.500 0.032 0.000 1.055 72 K HN 0.549 nan 8.250 nan 0.000 0.461 73 Y N 0.571 120.907 120.300 0.060 0.000 2.468 73 Y HA 0.110 4.660 4.550 0.000 0.000 0.342 73 Y C 0.641 176.568 175.900 0.045 0.000 1.021 73 Y CA -1.090 57.039 58.100 0.048 0.000 1.079 73 Y CB 1.156 39.648 38.460 0.052 0.000 1.226 73 Y HN 0.523 nan 8.280 nan 0.000 0.460 74 N N 1.199 119.992 118.700 0.155 0.000 2.400 74 N HA -0.053 4.688 4.740 0.000 0.000 0.278 74 N C 0.877 176.453 175.510 0.110 0.000 1.247 74 N CA 0.423 53.536 53.050 0.104 0.000 0.970 74 N CB 0.515 39.045 38.487 0.073 0.000 1.312 74 N HN 0.800 nan 8.380 nan 0.000 0.488 75 T N -0.827 113.782 114.554 0.092 0.000 3.077 75 T HA -0.151 4.199 4.350 0.000 0.000 0.269 75 T C 1.346 176.062 174.700 0.026 0.000 1.146 75 T CA 1.352 63.487 62.100 0.059 0.000 1.091 75 T CB -0.637 68.260 68.868 0.048 0.000 0.892 75 T HN 0.508 nan 8.240 nan 0.000 0.533 76 T N -1.478 113.096 114.554 0.033 0.000 3.188 76 T HA 0.355 4.706 4.350 0.000 0.000 0.250 76 T C 0.579 175.293 174.700 0.024 0.000 1.077 76 T CA -0.704 61.408 62.100 0.021 0.000 0.967 76 T CB -0.089 68.793 68.868 0.023 0.000 1.006 76 T HN 0.325 nan 8.240 nan 0.000 0.552 77 R N 0.890 121.408 120.500 0.030 0.000 2.828 77 R HA 0.639 4.979 4.340 0.000 0.000 0.264 77 R C -0.695 175.589 176.300 -0.026 0.000 1.022 77 R CA -0.852 55.267 56.100 0.033 0.000 1.021 77 R CB 0.814 31.155 30.300 0.069 0.000 1.163 77 R HN 0.147 nan 8.270 nan 0.000 0.494 78 N N -0.153 118.508 118.700 -0.066 0.000 2.319 78 N HA 0.458 5.198 4.740 0.000 0.000 0.305 78 N C -1.182 174.101 175.510 -0.379 0.000 1.103 78 N CA -0.608 52.264 53.050 -0.296 0.000 0.815 78 N CB 2.123 40.282 38.487 -0.546 0.000 1.288 78 N HN 0.620 nan 8.380 nan 0.000 0.493 79 A N 1.172 123.719 122.820 -0.456 0.000 2.293 79 A HA 0.674 4.994 4.320 0.000 0.000 0.302 79 A C -1.296 176.028 177.584 -0.433 0.000 1.119 79 A CA -0.218 51.556 52.037 -0.439 0.000 0.823 79 A CB 0.202 18.829 19.000 -0.622 0.000 1.097 79 A HN 0.604 nan 8.150 nan 0.000 0.491 80 Y N 0.009 120.319 120.300 0.016 0.000 2.361 80 Y HA 0.647 5.198 4.550 0.000 0.000 0.337 80 Y C 0.272 176.058 175.900 -0.190 0.000 0.965 80 Y CA -0.445 57.679 58.100 0.041 0.000 1.091 80 Y CB 1.880 40.337 38.460 -0.005 0.000 1.182 80 Y HN 0.772 nan 8.280 nan 0.000 0.450 81 R N 2.028 122.348 120.500 -0.300 0.000 2.628 81 R HA 0.339 4.679 4.340 0.000 0.000 0.288 81 R C -1.212 175.040 176.300 -0.081 0.000 0.980 81 R CA -0.733 55.056 56.100 -0.518 0.000 0.891 81 R CB 1.724 31.074 30.300 -1.583 0.000 1.188 81 R HN 0.845 nan 8.270 nan 0.000 0.450 82 E N 3.429 123.630 120.200 0.002 0.000 2.200 82 E HA 0.096 4.447 4.350 0.000 0.000 0.283 82 E C -1.135 175.492 176.600 0.046 0.000 1.015 82 E CA -0.458 55.971 56.400 0.047 0.000 0.819 82 E CB 1.153 30.855 29.700 0.004 0.000 1.081 82 E HN 0.538 nan 8.360 nan 0.000 0.397 83 c N 7.593 126.121 118.600 -0.119 0.000 2.322 83 c HA 0.345 4.915 4.570 0.000 0.000 0.343 83 c C 0.371 174.322 174.090 -0.232 0.000 1.190 83 c CA -0.697 55.378 56.329 -0.424 0.000 1.704 83 c CB -1.558 40.578 42.510 -0.624 0.000 2.293 83 c HN 0.692 nan 8.230 nan 0.000 0.523 84 L N 5.263 126.370 121.223 -0.192 0.000 2.476 84 L HA 0.142 4.482 4.340 0.000 0.000 0.264 84 L C 1.653 178.448 176.870 -0.125 0.000 1.224 84 L CA 0.210 54.979 54.840 -0.118 0.000 0.821 84 L CB 0.396 42.406 42.059 -0.082 0.000 1.101 84 L HN 0.693 nan 8.230 nan 0.000 0.488 85 E N 0.736 120.882 120.200 -0.090 0.000 2.401 85 E HA -0.190 4.160 4.350 0.000 0.000 0.199 85 E C 1.018 177.563 176.600 -0.090 0.000 1.023 85 E CA 0.893 57.241 56.400 -0.086 0.000 0.859 85 E CB 0.004 29.665 29.700 -0.064 0.000 0.780 85 E HN 0.589 nan 8.360 nan 0.000 0.523 86 N N -0.912 117.735 118.700 -0.088 0.000 2.280 86 N HA 0.029 4.769 4.740 0.000 0.000 0.192 86 N C 0.973 176.430 175.510 -0.088 0.000 1.109 86 N CA 0.821 53.825 53.050 -0.078 0.000 0.855 86 N CB 0.960 39.412 38.487 -0.058 0.000 0.974 86 N HN 0.096 nan 8.380 nan 0.000 0.482 87 G N -0.597 108.127 108.800 -0.126 0.000 2.163 87 G HA2 -0.218 3.742 3.960 0.000 0.000 0.213 87 G HA3 -0.218 3.742 3.960 0.000 0.000 0.213 87 G C -0.057 174.743 174.900 -0.167 0.000 0.991 87 G CA 0.295 45.310 45.100 -0.142 0.000 0.653 87 G HN 0.815 nan 8.290 nan 0.000 0.518 88 T N -2.531 111.925 114.554 -0.163 0.000 2.912 88 T HA 0.588 4.939 4.350 0.000 0.000 0.288 88 T C -0.071 174.520 174.700 -0.182 0.000 1.030 88 T CA -0.862 61.162 62.100 -0.128 0.000 1.020 88 T CB 1.705 70.560 68.868 -0.021 0.000 1.056 88 T HN 0.369 nan 8.240 nan 0.000 0.480 89 W N 1.616 122.897 121.300 -0.032 0.000 2.253 89 W HA 0.515 5.176 4.660 0.000 0.000 0.322 89 W C 1.011 177.479 176.519 -0.084 0.000 1.342 89 W CA -0.567 56.729 57.345 -0.081 0.000 1.218 89 W CB 0.323 29.722 29.460 -0.101 0.000 1.205 89 W HN 1.026 nan 8.180 nan 0.000 0.551 90 A N 2.262 125.175 122.820 0.154 0.000 2.555 90 A HA 0.075 4.395 4.320 0.000 0.000 0.233 90 A C 1.479 179.098 177.584 0.058 0.000 1.060 90 A CA 0.640 52.717 52.037 0.067 0.000 0.759 90 A CB 0.281 19.298 19.000 0.027 0.000 0.995 90 A HN 0.824 nan 8.150 nan 0.000 0.506 91 S N 1.228 116.947 115.700 0.032 0.000 2.458 91 S HA 0.034 4.504 4.470 0.000 0.000 0.223 91 S C 0.813 175.416 174.600 0.005 0.000 1.019 91 S CA 0.777 58.992 58.200 0.024 0.000 0.937 91 S CB -0.131 63.086 63.200 0.028 0.000 0.788 91 S HN 0.686 nan 8.310 nan 0.000 0.511 92 K N 0.900 121.300 120.400 0.000 0.000 2.174 92 K HA 0.515 4.836 4.320 0.000 0.000 0.275 92 K C -1.212 175.374 176.600 -0.024 0.000 1.015 92 K CA -0.428 55.861 56.287 0.003 0.000 0.933 92 K CB 0.626 33.132 32.500 0.009 0.000 1.025 92 K HN 0.323 nan 8.250 nan 0.000 0.463 93 I N 3.155 123.736 120.570 0.019 0.000 2.406 93 I HA 0.121 4.291 4.170 0.000 0.000 0.290 93 I C -0.150 176.009 176.117 0.070 0.000 0.999 93 I CA -0.925 60.373 61.300 -0.003 0.000 1.124 93 I CB 1.670 39.725 38.000 0.092 0.000 1.289 93 I HN 0.506 nan 8.210 nan 0.000 0.441 94 N N 5.438 124.130 118.700 -0.012 0.000 2.415 94 N HA 0.084 4.824 4.740 0.000 0.000 0.250 94 N C -0.344 175.130 175.510 -0.060 0.000 1.127 94 N CA 0.332 53.402 53.050 0.034 0.000 0.945 94 N CB 0.271 38.801 38.487 0.073 0.000 1.196 94 N HN 0.453 nan 8.380 nan 0.000 0.499 95 Y N 0.674 121.010 120.300 0.060 0.000 2.524 95 Y HA 0.021 4.571 4.550 0.000 0.000 0.266 95 Y C 2.145 178.064 175.900 0.031 0.000 1.180 95 Y CA -0.129 57.983 58.100 0.019 0.000 1.244 95 Y CB 0.202 38.615 38.460 -0.078 0.000 1.125 95 Y HN 0.573 nan 8.280 nan 0.000 0.524 96 S N -0.765 115.020 115.700 0.142 0.000 2.440 96 S HA -0.202 4.268 4.470 0.000 0.000 0.238 96 S C 1.456 176.123 174.600 0.112 0.000 1.010 96 S CA 1.151 59.416 58.200 0.108 0.000 0.972 96 S CB -0.051 63.191 63.200 0.069 0.000 0.774 96 S HN 0.381 nan 8.310 nan 0.000 0.501 97 Q N -0.067 119.812 119.800 0.132 0.000 2.319 97 Q HA 0.282 4.623 4.340 0.000 0.000 0.202 97 Q C -0.055 176.025 176.000 0.133 0.000 0.896 97 Q CA -0.029 55.852 55.803 0.129 0.000 0.942 97 Q CB -0.236 28.602 28.738 0.166 0.000 1.083 97 Q HN 0.565 nan 8.270 nan 0.000 0.510 98 c N 2.787 121.477 118.600 0.150 0.000 2.311 98 c HA 0.297 4.867 4.570 0.000 0.000 0.357 98 c C 0.825 175.101 174.090 0.311 0.000 1.086 98 c CA -0.918 55.527 56.329 0.193 0.000 1.486 98 c CB -1.545 41.021 42.510 0.093 0.000 1.974 98 c HN 0.276 nan 8.230 nan 0.000 0.508 99 E N 3.952 124.300 120.200 0.246 0.000 2.259 99 E HA 0.344 4.695 4.350 0.000 0.000 0.281 99 E C -2.224 174.456 176.600 0.134 0.000 1.027 99 E CA -1.297 55.209 56.400 0.176 0.000 0.838 99 E CB 0.824 30.578 29.700 0.091 0.000 1.066 99 E HN 0.381 nan 8.360 nan 0.000 0.401 100 P HA 0.138 nan 4.420 nan 0.000 0.272 100 P C -0.843 176.321 177.300 -0.227 0.000 1.240 100 P CA -0.057 62.755 63.100 -0.480 0.000 0.791 100 P CB 0.556 31.993 31.700 -0.439 0.000 0.978 101 I N 1.514 121.946 120.570 -0.230 0.000 2.436 101 I HA 0.327 4.498 4.170 0.000 0.000 0.289 101 I C -0.834 175.219 176.117 -0.108 0.000 1.010 101 I CA -0.800 60.432 61.300 -0.114 0.000 1.098 101 I CB 0.737 38.704 38.000 -0.055 0.000 1.266 101 I HN 0.142 nan 8.210 nan 0.000 0.434 102 L N 0.000 121.176 121.223 -0.078 0.000 2.949 102 L HA 0.000 4.340 4.340 0.000 0.000 0.249 102 L CA 0.000 54.798 54.840 -0.069 0.000 0.813 102 L CB 0.000 42.020 42.059 -0.066 0.000 0.961 102 L HN 0.000 nan 8.230 nan 0.000 0.502