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 3c7o_1_A DATA FIRST_RESID 1 DATA SEQUENCE ATSTTIAKHI GNSNPLIDHH LGADPVALTY NGRVYIYMSS DDYEYNSNGT DATA SEQUENCE IKDNSFANLN RVFVISSADM VNWTDHGAIP VAGANGANGG RGIAKWAGAS DATA SEQUENCE WAPSIAVKKI NGKDKFFLYF ANSGGGIGVL TADSPIGPWT DPIGKPLVTP DATA SEQUENCE STPGMSGVVW LFDPAVFVDD DGTGYLYAGG GVPGVSNPTQ GQWANPKTAR DATA SEQUENCE VIKLGPDMTS VVGSASTIDA PFMFEDSGLH KYNGTYYYSY CINFGGTHPA DATA SEQUENCE DKPPGEIGYM TSSSPMGPFT YRGHFLKNPG AFFGGGGNNH HAVFNFKNEW DATA SEQUENCE YVVYHAQTVS SALFGAGKGY RSPHINKLVH NADGSIQEVA ANYAGVTQIS DATA SEQUENCE NLNPYNRVEA ETFAWNGRIL TEKSTAPGGP VNNQHVTSIQ NGDWIAVGNA DATA SEQUENCE DFGAGGARSF KANVASTLGG KIEVRLDSAD GKLVGTLNVP STGGAQTWRE DATA SEQUENCE IETAVSGATG VHKVFFVFTG TGTGNLFNFD YWQFTQR 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.611 177.584 0.045 0.000 1.274 1 A CA 0.000 52.058 52.037 0.035 0.000 0.836 1 A CB 0.000 19.028 19.000 0.047 0.000 0.831 2 T N -0.944 113.646 114.554 0.059 0.000 3.834 2 T HA 0.525 4.886 4.350 0.019 0.000 0.201 2 T C 0.262 174.987 174.700 0.042 0.000 0.626 2 T CA 1.304 63.428 62.100 0.040 0.000 1.298 2 T CB -0.930 67.940 68.868 0.004 0.000 1.064 2 T HN 2.588 nan 8.240 nan 0.000 0.564 3 S N 1.101 116.869 115.700 0.112 0.000 1.402 3 S HA -0.204 4.277 4.470 0.019 0.000 0.247 3 S C 0.464 175.306 174.600 0.403 0.000 0.661 3 S CA 2.735 61.110 58.200 0.291 0.000 1.198 3 S CB -1.969 61.342 63.200 0.185 0.000 1.282 3 S HN 1.991 nan 8.310 nan 0.000 0.501 4 T N 1.869 116.556 114.554 0.222 0.000 2.929 4 T HA 0.647 5.009 4.350 0.019 0.000 0.284 4 T C 0.170 175.001 174.700 0.219 0.000 1.014 4 T CA 0.326 62.577 62.100 0.253 0.000 1.051 4 T CB 1.413 70.371 68.868 0.150 0.000 1.028 4 T HN 0.934 nan 8.240 nan 0.000 0.485 5 T N 1.185 115.937 114.554 0.330 0.000 2.930 5 T HA 0.313 4.674 4.350 0.019 0.000 0.306 5 T C 1.550 176.393 174.700 0.238 0.000 1.045 5 T CA -0.750 61.526 62.100 0.293 0.000 1.134 5 T CB 0.146 69.293 68.868 0.466 0.000 0.961 5 T HN 0.579 nan 8.240 nan 0.000 0.545 6 I N 1.534 122.179 120.570 0.126 0.000 2.193 6 I HA 0.032 4.213 4.170 0.019 0.000 0.240 6 I C 2.386 178.540 176.117 0.062 0.000 1.084 6 I CA 1.641 62.997 61.300 0.092 0.000 1.365 6 I CB -0.354 37.680 38.000 0.056 0.000 1.064 6 I HN 0.867 nan 8.210 nan 0.000 0.410 7 A N -1.171 121.581 122.820 -0.114 0.000 2.189 7 A HA 0.154 4.485 4.320 0.019 0.000 0.177 7 A C 0.908 178.142 177.584 -0.584 0.000 1.745 7 A CA -0.295 51.557 52.037 -0.308 0.000 1.284 7 A CB 0.282 19.264 19.000 -0.031 0.000 1.508 7 A HN 0.090 nan 8.150 nan 0.000 0.440 8 K N 2.035 122.279 120.400 -0.259 0.000 2.266 8 K HA 0.365 4.697 4.320 0.019 0.000 0.274 8 K C -1.222 175.484 176.600 0.177 0.000 1.090 8 K CA -0.413 55.843 56.287 -0.052 0.000 0.925 8 K CB 0.036 32.609 32.500 0.122 0.000 1.225 8 K HN 0.420 nan 8.250 nan 0.000 0.458 9 H N 3.313 122.544 119.070 0.268 0.000 2.499 9 H HA 0.274 4.842 4.556 0.019 0.000 0.340 9 H C 0.298 175.574 175.328 -0.087 0.000 1.148 9 H CA -0.905 55.210 56.048 0.112 0.000 1.215 9 H CB 1.210 30.988 29.762 0.027 0.000 1.529 9 H HN 0.524 nan 8.280 nan 0.000 0.510 10 I N 1.227 121.666 120.570 -0.218 0.000 2.752 10 I HA -0.050 4.132 4.170 0.019 0.000 0.289 10 I C 1.432 177.162 176.117 -0.645 0.000 1.197 10 I CA 1.564 62.286 61.300 -0.964 0.000 1.432 10 I CB 0.200 37.876 38.000 -0.540 0.000 1.359 10 I HN 0.982 nan 8.210 nan 0.000 0.571 11 G N 3.778 112.078 108.800 -0.834 0.000 2.195 11 G HA2 -0.244 3.728 3.960 0.019 0.000 0.246 11 G HA3 -0.244 3.728 3.960 0.019 0.000 0.246 11 G C 0.140 175.174 174.900 0.223 0.000 0.984 11 G CA -0.385 44.642 45.100 -0.121 0.000 0.633 11 G HN 0.560 nan 8.290 nan 0.000 0.525 12 N N -0.065 118.837 118.700 0.336 0.000 2.466 12 N HA 0.676 5.428 4.740 0.019 0.000 0.294 12 N C 0.738 176.544 175.510 0.495 0.000 1.129 12 N CA 0.047 53.324 53.050 0.378 0.000 0.931 12 N CB 1.704 40.380 38.487 0.315 0.000 1.193 12 N HN 0.009 nan 8.380 nan 0.000 0.500 13 S N -0.062 115.827 115.700 0.315 0.000 2.523 13 S HA 0.250 4.731 4.470 0.019 0.000 0.217 13 S C -0.081 174.575 174.600 0.093 0.000 0.996 13 S CA -0.215 58.123 58.200 0.230 0.000 0.921 13 S CB 0.093 63.414 63.200 0.203 0.000 0.829 13 S HN 0.460 nan 8.310 nan 0.000 0.495 14 N N 2.142 120.858 118.700 0.026 0.000 2.272 14 N HA 0.452 5.204 4.740 0.019 0.000 0.305 14 N C -2.975 172.398 175.510 -0.228 0.000 1.103 14 N CA -1.678 51.194 53.050 -0.297 0.000 0.791 14 N CB 1.583 39.745 38.487 -0.542 0.000 1.356 14 N HN 0.013 nan 8.380 nan 0.000 0.486 15 P HA 0.123 nan 4.420 nan 0.000 0.273 15 P C 0.940 178.054 177.300 -0.311 0.000 1.250 15 P CA -0.316 62.456 63.100 -0.545 0.000 0.793 15 P CB 1.250 32.808 31.700 -0.236 0.000 1.011 16 L N -0.104 120.886 121.223 -0.388 0.000 2.083 16 L HA -0.035 4.317 4.340 0.019 0.000 0.209 16 L C 1.395 177.994 176.870 -0.451 0.000 1.083 16 L CA 1.555 56.078 54.840 -0.528 0.000 0.752 16 L CB -0.648 40.791 42.059 -1.032 0.000 0.899 16 L HN 0.414 nan 8.230 nan 0.000 0.433 17 I N -4.036 116.313 120.570 -0.368 0.000 2.969 17 I HA 0.374 4.556 4.170 0.019 0.000 0.307 17 I C -0.796 175.234 176.117 -0.145 0.000 1.149 17 I CA -0.798 60.372 61.300 -0.216 0.000 1.008 17 I CB 2.177 39.950 38.000 -0.379 0.000 1.232 17 I HN -0.111 nan 8.210 nan 0.000 0.435 18 D N 0.766 121.170 120.400 0.007 0.000 2.538 18 D HA -0.038 4.613 4.640 0.019 0.000 0.241 18 D C 0.977 177.304 176.300 0.045 0.000 1.297 18 D CA 0.135 54.134 54.000 -0.002 0.000 0.804 18 D CB -0.431 40.388 40.800 0.032 0.000 1.122 18 D HN 0.788 nan 8.370 nan 0.000 0.519 19 H N 0.281 119.326 119.070 -0.042 0.000 2.539 19 H HA 0.215 4.783 4.556 0.019 0.000 0.267 19 H C -0.214 175.153 175.328 0.065 0.000 0.982 19 H CA 0.945 57.010 56.048 0.029 0.000 1.146 19 H CB -0.335 29.503 29.762 0.126 0.000 1.382 19 H HN 0.485 nan 8.280 nan 0.000 0.577 20 H N -2.156 116.686 119.070 -0.380 0.000 2.865 20 H HA 0.542 5.110 4.556 0.019 0.000 0.265 20 H C -1.690 173.512 175.328 -0.211 0.000 1.477 20 H CA -0.946 54.947 56.048 -0.258 0.000 1.157 20 H CB 0.567 30.098 29.762 -0.385 0.000 1.858 20 H HN 0.029 nan 8.280 nan 0.000 0.594 21 L N -0.599 120.723 121.223 0.166 0.000 2.299 21 L HA 0.862 5.214 4.340 0.019 0.000 0.268 21 L C -0.164 176.849 176.870 0.237 0.000 1.012 21 L CA -0.672 54.213 54.840 0.075 0.000 0.816 21 L CB 2.195 44.250 42.059 -0.006 0.000 1.355 21 L HN 1.084 nan 8.230 nan 0.000 0.457 22 G N 0.425 109.287 108.800 0.102 0.000 2.193 22 G HA2 0.545 4.516 3.960 0.019 0.000 0.305 22 G HA3 0.545 4.516 3.960 0.019 0.000 0.305 22 G C -1.484 173.410 174.900 -0.010 0.000 1.427 22 G CA 0.087 45.250 45.100 0.105 0.000 1.137 22 G HN 0.743 nan 8.290 nan 0.000 0.576 23 A N 2.123 124.897 122.820 -0.077 0.000 2.282 23 A HA 0.839 5.170 4.320 0.019 0.000 0.324 23 A C 0.466 178.042 177.584 -0.013 0.000 1.119 23 A CA -0.136 51.866 52.037 -0.059 0.000 0.880 23 A CB 0.554 19.411 19.000 -0.239 0.000 1.294 23 A HN 1.101 nan 8.150 nan 0.000 0.493 24 D N -0.412 120.065 120.400 0.129 0.000 2.735 24 D HA -0.108 4.543 4.640 0.019 0.000 0.235 24 D C -2.307 173.958 176.300 -0.058 0.000 1.175 24 D CA 1.067 54.862 54.000 -0.343 0.000 0.683 24 D CB -1.655 38.700 40.800 -0.740 0.000 1.008 24 D HN 0.402 nan 8.370 nan 0.000 0.416 25 P HA 0.226 nan 4.420 nan 0.000 0.275 25 P C -0.034 177.355 177.300 0.149 0.000 1.228 25 P CA -0.308 62.846 63.100 0.091 0.000 0.786 25 P CB 1.791 33.519 31.700 0.048 0.000 0.927 26 V N 1.553 121.556 119.914 0.148 0.000 3.040 26 V HA 0.778 4.910 4.120 0.019 0.000 0.312 26 V C -1.168 175.011 176.094 0.141 0.000 1.115 26 V CA -0.995 61.400 62.300 0.158 0.000 0.998 26 V CB 2.168 34.096 31.823 0.175 0.000 1.042 26 V HN 0.780 nan 8.190 nan 0.000 0.433 27 A N 4.547 127.402 122.820 0.059 0.000 2.350 27 A HA 0.887 5.219 4.320 0.019 0.000 0.324 27 A C -1.415 176.225 177.584 0.093 0.000 1.118 27 A CA -0.558 51.417 52.037 -0.103 0.000 0.783 27 A CB 1.513 20.000 19.000 -0.855 0.000 1.236 27 A HN 1.239 nan 8.150 nan 0.000 0.457 28 L N 2.234 123.586 121.223 0.215 0.000 2.356 28 L HA 0.713 5.064 4.340 0.019 0.000 0.277 28 L C 0.166 177.230 176.870 0.323 0.000 0.996 28 L CA 0.121 55.153 54.840 0.319 0.000 0.822 28 L CB 2.064 44.384 42.059 0.435 0.000 1.256 28 L HN 0.749 nan 8.230 nan 0.000 0.413 29 T N 1.888 116.648 114.554 0.343 0.000 2.767 29 T HA 0.553 4.914 4.350 0.019 0.000 0.284 29 T C -0.908 174.100 174.700 0.513 0.000 0.973 29 T CA -0.389 61.952 62.100 0.402 0.000 0.996 29 T CB 0.793 69.939 68.868 0.463 0.000 0.927 29 T HN 0.556 nan 8.240 nan 0.000 0.456 30 Y N 3.115 123.647 120.300 0.386 0.000 2.298 30 Y HA 0.315 4.876 4.550 0.018 0.000 0.322 30 Y C -0.408 175.689 175.900 0.328 0.000 1.138 30 Y CA -0.960 57.355 58.100 0.359 0.000 1.127 30 Y CB 0.808 39.507 38.460 0.398 0.000 1.178 30 Y HN 0.838 nan 8.280 nan 0.000 0.428 31 N N 4.271 122.792 118.700 -0.298 0.000 2.705 31 N HA -0.182 4.569 4.740 0.019 0.000 0.255 31 N C 0.888 176.384 175.510 -0.022 0.000 1.008 31 N CA 2.054 54.935 53.050 -0.281 0.000 0.742 31 N CB -1.076 37.069 38.487 -0.569 0.000 0.906 31 N HN 1.493 nan 8.380 nan 0.000 0.541 32 G N -1.531 107.328 108.800 0.099 0.000 2.157 32 G HA2 -0.339 3.632 3.960 0.019 0.000 0.248 32 G HA3 -0.339 3.632 3.960 0.019 0.000 0.248 32 G C 0.080 175.165 174.900 0.309 0.000 0.979 32 G CA 0.472 45.661 45.100 0.148 0.000 0.650 32 G HN 0.621 nan 8.290 nan 0.000 0.529 33 R N -1.006 119.680 120.500 0.311 0.000 2.795 33 R HA 0.676 5.028 4.340 0.019 0.000 0.275 33 R C -0.994 175.185 176.300 -0.201 0.000 0.981 33 R CA -0.730 55.378 56.100 0.013 0.000 0.917 33 R CB 2.800 32.942 30.300 -0.263 0.000 1.202 33 R HN 0.291 nan 8.270 nan 0.000 0.469 34 V N 3.379 122.803 119.914 -0.817 0.000 2.398 34 V HA 0.433 4.564 4.120 0.019 0.000 0.286 34 V C -1.402 174.438 176.094 -0.424 0.000 1.026 34 V CA -0.459 61.440 62.300 -0.668 0.000 0.868 34 V CB 0.884 32.066 31.823 -1.070 0.000 0.982 34 V HN 0.575 nan 8.190 nan 0.000 0.443 35 Y N 6.641 126.888 120.300 -0.088 0.000 2.341 35 Y HA 0.599 5.161 4.550 0.020 0.000 0.337 35 Y C 0.307 176.134 175.900 -0.121 0.000 1.014 35 Y CA -0.945 57.104 58.100 -0.084 0.000 1.111 35 Y CB 1.574 39.995 38.460 -0.066 0.000 1.194 35 Y HN 0.370 nan 8.280 nan 0.000 0.462 36 I N 4.602 125.120 120.570 -0.087 0.000 2.378 36 I HA 0.249 4.430 4.170 0.019 0.000 0.291 36 I C -0.892 175.113 176.117 -0.187 0.000 0.992 36 I CA -1.348 59.892 61.300 -0.099 0.000 1.154 36 I CB 0.715 38.587 38.000 -0.213 0.000 1.315 36 I HN 0.581 nan 8.210 nan 0.000 0.448 37 Y N 6.211 126.531 120.300 0.033 0.000 2.360 37 Y HA 0.666 5.229 4.550 0.021 0.000 0.337 37 Y C 0.202 176.101 175.900 -0.002 0.000 1.039 37 Y CA -0.689 57.429 58.100 0.031 0.000 1.109 37 Y CB 2.077 40.552 38.460 0.024 0.000 1.201 37 Y HN 0.421 nan 8.280 nan 0.000 0.458 38 M N 1.268 120.932 119.600 0.107 0.000 2.433 38 M HA 0.337 4.829 4.480 0.019 0.000 0.290 38 M C -0.643 175.571 176.300 -0.143 0.000 1.173 38 M CA -0.671 54.627 55.300 -0.003 0.000 0.905 38 M CB 2.348 34.962 32.600 0.024 0.000 1.692 38 M HN 0.519 nan 8.290 nan 0.000 0.462 39 S N 1.229 116.805 115.700 -0.206 0.000 2.558 39 S HA 0.054 4.536 4.470 0.019 0.000 0.288 39 S C 0.450 174.733 174.600 -0.529 0.000 1.318 39 S CA -0.332 57.671 58.200 -0.327 0.000 1.056 39 S CB 0.247 63.233 63.200 -0.356 0.000 0.853 39 S HN 0.716 nan 8.310 nan 0.000 0.505 40 S N 1.768 117.035 115.700 -0.721 0.000 4.069 40 S HA 0.142 4.623 4.470 0.019 0.000 0.192 40 S C -0.377 173.873 174.600 -0.583 0.000 1.441 40 S CA -0.856 56.585 58.200 -1.265 0.000 0.994 40 S CB -0.492 61.983 63.200 -1.209 0.000 1.456 40 S HN 0.556 nan 8.310 nan 0.000 0.458 41 D N 2.374 122.570 120.400 -0.340 0.000 2.488 41 D HA 0.348 5.000 4.640 0.019 0.000 0.238 41 D C -0.273 175.980 176.300 -0.079 0.000 1.138 41 D CA 1.135 55.060 54.000 -0.124 0.000 0.873 41 D CB 0.592 41.355 40.800 -0.062 0.000 1.183 41 D HN 0.561 nan 8.370 nan 0.000 0.458 42 D N 1.056 121.395 120.400 -0.101 0.000 2.878 42 D HA 0.078 4.729 4.640 0.019 0.000 0.211 42 D C -1.194 174.931 176.300 -0.292 0.000 1.271 42 D CA -0.536 53.342 54.000 -0.203 0.000 0.845 42 D CB 0.345 41.130 40.800 -0.024 0.000 1.679 42 D HN 0.092 nan 8.370 nan 0.000 0.536 43 Y N 1.289 121.395 120.300 -0.323 0.000 2.610 43 Y HA 0.194 4.756 4.550 0.020 0.000 0.332 43 Y C 1.255 176.870 175.900 -0.476 0.000 1.201 43 Y CA 0.441 58.075 58.100 -0.778 0.000 1.465 43 Y CB 0.419 38.347 38.460 -0.886 0.000 1.283 43 Y HN 0.097 nan 8.280 nan 0.000 0.563 44 E N 2.160 122.209 120.200 -0.251 0.000 2.202 44 E HA 0.449 4.811 4.350 0.019 0.000 0.272 44 E C -1.487 174.887 176.600 -0.377 0.000 0.951 44 E CA -0.772 55.547 56.400 -0.135 0.000 0.813 44 E CB 1.328 31.047 29.700 0.031 0.000 1.151 44 E HN 0.489 nan 8.360 nan 0.000 0.398 45 Y N 0.472 120.790 120.300 0.031 0.000 2.536 45 Y HA 0.264 4.826 4.550 0.019 0.000 0.347 45 Y C 0.522 176.428 175.900 0.010 0.000 1.000 45 Y CA -1.186 56.918 58.100 0.006 0.000 1.051 45 Y CB 1.318 39.783 38.460 0.009 0.000 1.259 45 Y HN 0.399 nan 8.280 nan 0.000 0.468 46 N N 0.063 118.863 118.700 0.167 0.000 2.371 46 N HA -0.016 4.735 4.740 0.019 0.000 0.243 46 N C 1.054 176.625 175.510 0.102 0.000 1.287 46 N CA 0.689 53.801 53.050 0.102 0.000 0.911 46 N CB 0.936 39.466 38.487 0.072 0.000 1.142 46 N HN 0.805 nan 8.380 nan 0.000 0.451 47 S N 0.263 116.002 115.700 0.064 0.000 2.442 47 S HA -0.186 4.295 4.470 0.019 0.000 0.236 47 S C 1.077 175.696 174.600 0.032 0.000 1.007 47 S CA 0.991 59.219 58.200 0.046 0.000 0.965 47 S CB -0.365 62.855 63.200 0.033 0.000 0.773 47 S HN 0.724 nan 8.310 nan 0.000 0.504 48 N N 1.478 120.200 118.700 0.037 0.000 2.449 48 N HA 0.191 4.942 4.740 0.019 0.000 0.191 48 N C 1.181 176.703 175.510 0.020 0.000 1.161 48 N CA 0.676 53.740 53.050 0.024 0.000 0.863 48 N CB -0.645 37.858 38.487 0.027 0.000 0.980 48 N HN 0.640 nan 8.380 nan 0.000 0.458 49 G N -0.430 108.386 108.800 0.028 0.000 2.159 49 G HA2 -0.287 3.684 3.960 0.019 0.000 0.256 49 G HA3 -0.287 3.684 3.960 0.019 0.000 0.256 49 G C 0.092 175.048 174.900 0.093 0.000 0.977 49 G CA 0.590 45.671 45.100 -0.032 0.000 0.652 49 G HN 0.816 nan 8.290 nan 0.000 0.531 50 T N -1.111 113.538 114.554 0.157 0.000 2.889 50 T HA 0.654 5.016 4.350 0.019 0.000 0.291 50 T C 0.687 175.529 174.700 0.237 0.000 0.995 50 T CA -0.418 61.795 62.100 0.189 0.000 1.092 50 T CB 2.368 71.296 68.868 0.102 0.000 0.954 50 T HN 1.001 nan 8.240 nan 0.000 0.506 51 I N 2.377 123.021 120.570 0.123 0.000 2.815 51 I HA 0.236 4.418 4.170 0.019 0.000 0.291 51 I C 0.416 176.444 176.117 -0.147 0.000 1.209 51 I CA 0.460 61.612 61.300 -0.246 0.000 1.431 51 I CB 0.115 37.685 38.000 -0.717 0.000 1.351 51 I HN 0.929 nan 8.210 nan 0.000 0.585 52 K N 4.871 125.175 120.400 -0.159 0.000 2.433 52 K HA 0.508 4.839 4.320 0.019 0.000 0.252 52 K C -1.151 175.435 176.600 -0.023 0.000 1.015 52 K CA -1.011 55.236 56.287 -0.065 0.000 0.860 52 K CB 0.830 33.308 32.500 -0.035 0.000 1.359 52 K HN 0.338 nan 8.250 nan 0.000 0.452 53 D N 1.524 121.879 120.400 -0.076 0.000 2.443 53 D HA -0.038 4.613 4.640 0.019 0.000 0.239 53 D C -0.187 175.940 176.300 -0.289 0.000 1.136 53 D CA 0.196 54.089 54.000 -0.179 0.000 0.879 53 D CB 0.425 41.107 40.800 -0.197 0.000 1.195 53 D HN 0.459 nan 8.370 nan 0.000 0.443 54 N N 0.390 118.677 118.700 -0.688 0.000 2.411 54 N HA -0.100 4.651 4.740 0.019 0.000 0.265 54 N C 0.421 175.540 175.510 -0.651 0.000 1.266 54 N CA 0.268 52.850 53.050 -0.781 0.000 0.889 54 N CB 0.383 38.164 38.487 -1.176 0.000 1.069 54 N HN 0.254 nan 8.380 nan 0.000 0.476 55 S N 3.239 118.653 115.700 -0.477 0.000 2.578 55 S HA 0.175 4.657 4.470 0.019 0.000 0.231 55 S C 0.064 174.385 174.600 -0.466 0.000 0.994 55 S CA -0.422 57.462 58.200 -0.526 0.000 0.956 55 S CB -0.348 62.713 63.200 -0.232 0.000 0.870 55 S HN 0.468 nan 8.310 nan 0.000 0.494 56 F N -0.364 119.471 119.950 -0.191 0.000 2.914 56 F HA -0.296 4.243 4.527 0.020 0.000 0.304 56 F C 1.700 177.485 175.800 -0.025 0.000 0.712 56 F CA -0.219 57.651 58.000 -0.215 0.000 1.211 56 F CB -2.163 36.579 39.000 -0.430 0.000 1.515 56 F HN 0.418 nan 8.300 nan 0.000 0.350 57 A N -0.167 122.725 122.820 0.120 0.000 2.024 57 A HA -0.169 4.163 4.320 0.019 0.000 0.220 57 A C 2.011 179.652 177.584 0.095 0.000 1.164 57 A CA 2.066 54.169 52.037 0.110 0.000 0.643 57 A CB -0.346 18.692 19.000 0.063 0.000 0.806 57 A HN 0.467 nan 8.150 nan 0.000 0.451 58 N N -0.556 118.186 118.700 0.071 0.000 2.270 58 N HA 0.115 4.866 4.740 0.019 0.000 0.198 58 N C -0.541 174.957 175.510 -0.020 0.000 1.117 58 N CA 0.098 53.164 53.050 0.026 0.000 0.845 58 N CB 0.313 38.810 38.487 0.017 0.000 0.980 58 N HN 0.212 nan 8.380 nan 0.000 0.486 59 L N 2.307 123.546 121.223 0.028 0.000 2.480 59 L HA 0.133 4.484 4.340 0.019 0.000 0.243 59 L C 0.619 177.518 176.870 0.048 0.000 1.315 59 L CA 0.148 54.980 54.840 -0.014 0.000 1.231 59 L CB -0.758 41.250 42.059 -0.085 0.000 1.444 59 L HN 0.155 nan 8.230 nan 0.000 0.409 60 N N -0.833 117.825 118.700 -0.069 0.000 2.160 60 N HA 0.168 4.920 4.740 0.019 0.000 0.226 60 N C 0.261 175.661 175.510 -0.184 0.000 1.256 60 N CA -0.390 52.596 53.050 -0.107 0.000 0.890 60 N CB 0.639 39.083 38.487 -0.072 0.000 1.116 60 N HN 0.183 nan 8.380 nan 0.000 0.517 61 R N -0.771 119.595 120.500 -0.223 0.000 2.905 61 R HA 0.740 5.091 4.340 0.019 0.000 0.260 61 R C -1.388 174.727 176.300 -0.310 0.000 1.086 61 R CA -1.006 54.951 56.100 -0.238 0.000 0.978 61 R CB 2.228 32.444 30.300 -0.140 0.000 1.215 61 R HN -0.143 nan 8.270 nan 0.000 0.480 62 V N 2.224 122.001 119.914 -0.229 0.000 2.444 62 V HA 0.434 4.565 4.120 0.019 0.000 0.294 62 V C -1.055 175.060 176.094 0.035 0.000 1.022 62 V CA -0.671 61.524 62.300 -0.174 0.000 0.850 62 V CB 1.275 33.005 31.823 -0.154 0.000 0.992 62 V HN 0.445 nan 8.190 nan 0.000 0.426 63 F N 4.027 123.936 119.950 -0.068 0.000 2.384 63 F HA 0.652 5.190 4.527 0.019 0.000 0.338 63 F C 0.285 176.050 175.800 -0.059 0.000 1.103 63 F CA -1.065 56.896 58.000 -0.066 0.000 1.157 63 F CB 1.577 40.547 39.000 -0.050 0.000 1.167 63 F HN 0.136 nan 8.300 nan 0.000 0.529 64 V N 4.823 124.817 119.914 0.133 0.000 2.638 64 V HA 0.566 4.697 4.120 0.019 0.000 0.306 64 V C -0.191 175.937 176.094 0.057 0.000 1.052 64 V CA -0.819 61.455 62.300 -0.043 0.000 0.885 64 V CB 1.948 33.693 31.823 -0.130 0.000 0.999 64 V HN 0.617 nan 8.190 nan 0.000 0.424 65 I N 1.774 122.349 120.570 0.009 0.000 3.002 65 I HA 1.039 5.220 4.170 0.019 0.000 0.310 65 I C -0.255 175.978 176.117 0.194 0.000 1.087 65 I CA -0.598 60.754 61.300 0.087 0.000 1.017 65 I CB 2.623 40.590 38.000 -0.056 0.000 1.226 65 I HN 0.677 nan 8.210 nan 0.000 0.443 66 S N 2.002 117.826 115.700 0.208 0.000 2.579 66 S HA 0.799 5.280 4.470 0.019 0.000 0.272 66 S C -0.928 173.516 174.600 -0.260 0.000 1.141 66 S CA -0.607 57.567 58.200 -0.045 0.000 0.843 66 S CB 1.772 64.700 63.200 -0.454 0.000 1.122 66 S HN 0.999 nan 8.310 nan 0.000 0.468 67 S N -0.417 114.896 115.700 -0.644 0.000 2.537 67 S HA 0.709 5.191 4.470 0.019 0.000 0.270 67 S C 0.203 174.461 174.600 -0.571 0.000 1.142 67 S CA -0.084 57.577 58.200 -0.898 0.000 0.870 67 S CB 1.399 63.445 63.200 -1.924 0.000 1.112 67 S HN 1.630 nan 8.310 nan 0.000 0.466 68 A N 2.144 124.757 122.820 -0.344 0.000 2.267 68 A HA 0.268 4.600 4.320 0.019 0.000 0.213 68 A C 0.728 178.327 177.584 0.026 0.000 1.192 68 A CA 1.042 53.051 52.037 -0.047 0.000 0.851 68 A CB -0.304 18.662 19.000 -0.057 0.000 0.881 68 A HN 0.870 nan 8.150 nan 0.000 0.494 69 D N -4.386 115.909 120.400 -0.174 0.000 2.516 69 D HA 0.139 4.791 4.640 0.019 0.000 0.241 69 D C 0.683 176.879 176.300 -0.173 0.000 1.246 69 D CA 0.248 54.176 54.000 -0.121 0.000 0.808 69 D CB 0.146 40.859 40.800 -0.144 0.000 1.147 69 D HN -0.014 nan 8.370 nan 0.000 0.527 70 M N -0.700 118.664 119.600 -0.393 0.000 2.990 70 M HA -0.187 4.304 4.480 0.019 0.000 0.206 70 M C 0.335 176.509 176.300 -0.210 0.000 0.594 70 M CA 0.654 55.776 55.300 -0.298 0.000 0.787 70 M CB -2.006 30.558 32.600 -0.059 0.000 2.812 70 M HN 0.237 nan 8.290 nan 0.000 0.300 71 V N -1.193 118.483 119.914 -0.397 0.000 3.103 71 V HA 0.208 4.340 4.120 0.019 0.000 0.229 71 V C 0.912 176.728 176.094 -0.462 0.000 1.304 71 V CA 0.549 62.689 62.300 -0.267 0.000 1.298 71 V CB 0.410 32.135 31.823 -0.164 0.000 1.093 71 V HN 0.368 nan 8.190 nan 0.000 0.489 72 N N 0.555 118.924 118.700 -0.552 0.000 2.422 72 N HA 0.234 4.986 4.740 0.019 0.000 0.264 72 N C -1.533 173.559 175.510 -0.697 0.000 1.063 72 N CA 0.011 52.777 53.050 -0.474 0.000 0.959 72 N CB 0.931 39.237 38.487 -0.301 0.000 1.087 72 N HN 0.334 nan 8.380 nan 0.000 0.483 73 W N 0.643 121.721 121.300 -0.370 0.000 2.587 73 W HA 0.271 4.942 4.660 0.018 0.000 0.324 73 W C 0.128 176.360 176.519 -0.479 0.000 1.040 73 W CA -0.592 56.518 57.345 -0.393 0.000 1.222 73 W CB 1.213 30.445 29.460 -0.381 0.000 1.381 73 W HN 0.165 nan 8.180 nan 0.000 0.483 74 T N 2.698 117.108 114.554 -0.240 0.000 2.780 74 T HA 0.032 4.393 4.350 0.019 0.000 0.294 74 T C -0.480 173.946 174.700 -0.457 0.000 0.949 74 T CA -0.339 61.521 62.100 -0.400 0.000 1.074 74 T CB 0.519 69.097 68.868 -0.485 0.000 0.910 74 T HN 0.205 nan 8.240 nan 0.000 0.501 75 D N 1.673 121.838 120.400 -0.393 0.000 2.316 75 D HA 0.047 4.699 4.640 0.019 0.000 0.245 75 D C 0.591 176.709 176.300 -0.303 0.000 1.171 75 D CA -0.229 53.625 54.000 -0.243 0.000 0.856 75 D CB 0.542 41.319 40.800 -0.039 0.000 1.090 75 D HN 0.571 nan 8.370 nan 0.000 0.476 76 H N 2.747 121.795 119.070 -0.036 0.000 2.529 76 H HA 0.222 4.790 4.556 0.020 0.000 0.277 76 H C 1.452 176.760 175.328 -0.034 0.000 1.004 76 H CA 0.482 56.513 56.048 -0.029 0.000 1.167 76 H CB 0.680 30.442 29.762 -0.001 0.000 1.445 76 H HN 0.702 nan 8.280 nan 0.000 0.554 77 G N 0.969 109.773 108.800 0.007 0.000 2.553 77 G HA2 -0.138 3.833 3.960 0.019 0.000 0.242 77 G HA3 -0.138 3.833 3.960 0.019 0.000 0.242 77 G C -0.473 174.418 174.900 -0.016 0.000 1.277 77 G CA -0.192 44.867 45.100 -0.069 0.000 0.910 77 G HN 0.609 nan 8.290 nan 0.000 0.576 78 A N -0.729 122.103 122.820 0.020 0.000 2.342 78 A HA 0.791 5.123 4.320 0.019 0.000 0.323 78 A C -0.078 177.552 177.584 0.077 0.000 1.125 78 A CA -0.459 51.663 52.037 0.141 0.000 0.785 78 A CB 0.971 20.093 19.000 0.204 0.000 1.221 78 A HN 1.148 nan 8.150 nan 0.000 0.463 79 I N 3.667 124.260 120.570 0.039 0.000 2.325 79 I HA 0.288 4.470 4.170 0.019 0.000 0.291 79 I C -1.862 174.188 176.117 -0.110 0.000 1.019 79 I CA -1.888 59.385 61.300 -0.045 0.000 1.302 79 I CB 1.845 39.716 38.000 -0.214 0.000 1.401 79 I HN 0.422 nan 8.210 nan 0.000 0.485 80 P HA 0.085 nan 4.420 nan 0.000 0.231 80 P C 0.912 178.089 177.300 -0.205 0.000 1.811 80 P CA -0.031 62.999 63.100 -0.117 0.000 1.051 80 P CB 0.488 32.149 31.700 -0.065 0.000 1.951 81 V N 1.952 121.673 119.914 -0.322 0.000 2.261 81 V HA -0.162 3.969 4.120 0.019 0.000 0.246 81 V C 1.553 177.349 176.094 -0.497 0.000 1.047 81 V CA 2.061 64.054 62.300 -0.512 0.000 1.015 81 V CB -1.059 30.276 31.823 -0.813 0.000 0.642 81 V HN 0.423 nan 8.190 nan 0.000 0.446 82 A N 0.063 122.632 122.820 -0.418 0.000 2.409 82 A HA 0.533 4.865 4.320 0.019 0.000 0.262 82 A C 1.101 178.536 177.584 -0.249 0.000 1.113 82 A CA 0.436 52.258 52.037 -0.359 0.000 0.790 82 A CB 0.507 19.350 19.000 -0.261 0.000 1.046 82 A HN 0.504 nan 8.150 nan 0.000 0.496 83 G N 0.887 109.539 108.800 -0.246 0.000 3.342 83 G HA2 0.461 4.432 3.960 0.019 0.000 0.252 83 G HA3 0.461 4.432 3.960 0.019 0.000 0.252 83 G C 0.555 175.393 174.900 -0.103 0.000 1.011 83 G CA 0.792 45.801 45.100 -0.150 0.000 0.869 83 G HN 1.163 nan 8.290 nan 0.000 0.514 84 A N 0.594 123.345 122.820 -0.115 0.000 2.304 84 A HA 0.524 4.856 4.320 0.019 0.000 0.271 84 A C 0.904 178.465 177.584 -0.039 0.000 1.091 84 A CA -0.086 51.918 52.037 -0.055 0.000 0.812 84 A CB 0.110 19.085 19.000 -0.041 0.000 1.056 84 A HN 0.436 nan 8.150 nan 0.000 0.489 85 N N -0.251 118.440 118.700 -0.014 0.000 2.747 85 N HA -0.208 4.544 4.740 0.019 0.000 0.249 85 N C 0.875 176.380 175.510 -0.008 0.000 1.107 85 N CA 2.035 55.081 53.050 -0.006 0.000 0.707 85 N CB -1.695 36.790 38.487 -0.004 0.000 1.054 85 N HN 2.136 nan 8.380 nan 0.000 0.555 86 G N -1.185 107.608 108.800 -0.011 0.000 2.186 86 G HA2 -0.232 3.739 3.960 0.019 0.000 0.266 86 G HA3 -0.232 3.739 3.960 0.019 0.000 0.266 86 G C 0.467 175.356 174.900 -0.019 0.000 0.982 86 G CA 1.212 46.305 45.100 -0.011 0.000 0.670 86 G HN 1.443 nan 8.290 nan 0.000 0.533 87 A N -0.093 122.708 122.820 -0.031 0.000 2.587 87 A HA 0.405 4.736 4.320 0.019 0.000 0.233 87 A C 1.403 178.960 177.584 -0.047 0.000 1.049 87 A CA 1.256 53.268 52.037 -0.041 0.000 0.754 87 A CB -0.038 18.922 19.000 -0.066 0.000 0.977 87 A HN 1.374 nan 8.150 nan 0.000 0.509 88 N N 0.181 118.859 118.700 -0.038 0.000 2.741 88 N HA -0.196 4.556 4.740 0.019 0.000 0.250 88 N C 0.787 176.283 175.510 -0.023 0.000 1.115 88 N CA 2.141 55.170 53.050 -0.035 0.000 0.724 88 N CB -1.496 36.956 38.487 -0.058 0.000 1.090 88 N HN 2.190 nan 8.380 nan 0.000 0.558 89 G N -0.905 107.886 108.800 -0.015 0.000 2.249 89 G HA2 -0.022 3.950 3.960 0.019 0.000 0.273 89 G HA3 -0.022 3.950 3.960 0.019 0.000 0.273 89 G C 1.148 176.044 174.900 -0.008 0.000 1.036 89 G CA 1.298 46.394 45.100 -0.007 0.000 0.824 89 G HN 1.612 nan 8.290 nan 0.000 0.504 90 G N -0.565 108.227 108.800 -0.013 0.000 2.179 90 G HA2 -0.261 3.710 3.960 0.019 0.000 0.260 90 G HA3 -0.261 3.710 3.960 0.019 0.000 0.260 90 G C 1.067 175.959 174.900 -0.014 0.000 0.977 90 G CA 1.238 46.331 45.100 -0.011 0.000 0.641 90 G HN 1.871 nan 8.290 nan 0.000 0.533 91 R N 0.656 121.144 120.500 -0.019 0.000 2.432 91 R HA 0.439 4.790 4.340 0.019 0.000 0.260 91 R C 1.060 177.340 176.300 -0.033 0.000 0.935 91 R CA 0.408 56.497 56.100 -0.018 0.000 1.080 91 R CB 0.143 30.436 30.300 -0.011 0.000 1.155 91 R HN 0.569 nan 8.270 nan 0.000 0.531 92 G N 1.174 109.942 108.800 -0.054 0.000 2.554 92 G HA2 0.210 4.181 3.960 0.019 0.000 0.238 92 G HA3 0.210 4.181 3.960 0.019 0.000 0.238 92 G C 0.547 175.395 174.900 -0.087 0.000 1.259 92 G CA -0.525 44.519 45.100 -0.093 0.000 0.843 92 G HN 0.155 nan 8.290 nan 0.000 0.582 93 I N 1.357 121.856 120.570 -0.118 0.000 2.556 93 I HA 0.096 4.278 4.170 0.019 0.000 0.251 93 I C 2.032 178.108 176.117 -0.068 0.000 1.105 93 I CA 0.660 61.920 61.300 -0.066 0.000 1.436 93 I CB 0.038 38.010 38.000 -0.045 0.000 1.139 93 I HN 0.440 nan 8.210 nan 0.000 0.438 94 A N 1.600 124.302 122.820 -0.196 0.000 2.650 94 A HA 0.215 4.547 4.320 0.019 0.000 0.320 94 A C 0.942 178.286 177.584 -0.400 0.000 1.466 94 A CA -0.387 51.469 52.037 -0.303 0.000 1.099 94 A CB -0.025 18.662 19.000 -0.522 0.000 1.136 94 A HN 0.043 nan 8.150 nan 0.000 0.532 95 K N 1.995 122.323 120.400 -0.119 0.000 2.362 95 K HA -0.108 4.223 4.320 0.019 0.000 0.200 95 K C 1.459 178.055 176.600 -0.006 0.000 1.046 95 K CA 1.114 57.376 56.287 -0.042 0.000 0.952 95 K CB -0.089 32.447 32.500 0.060 0.000 0.753 95 K HN 1.039 nan 8.250 nan 0.000 0.466 96 W N 0.399 121.723 121.300 0.039 0.000 3.003 96 W HA 0.350 5.022 4.660 0.020 0.000 0.257 96 W C 0.090 176.631 176.519 0.038 0.000 1.308 96 W CA -0.358 57.007 57.345 0.034 0.000 1.529 96 W CB -0.232 29.250 29.460 0.035 0.000 1.115 96 W HN -0.195 nan 8.180 nan 0.000 0.659 97 A N 1.467 123.920 122.820 -0.611 0.000 2.288 97 A HA 0.617 4.948 4.320 0.019 0.000 0.320 97 A C 1.048 178.454 177.584 -0.298 0.000 1.217 97 A CA 0.062 51.748 52.037 -0.584 0.000 0.840 97 A CB 1.093 19.466 19.000 -1.044 0.000 1.179 97 A HN 0.215 nan 8.150 nan 0.000 0.504 98 G N 0.824 109.527 108.800 -0.162 0.000 2.939 98 G HA2 0.468 4.439 3.960 0.019 0.000 0.210 98 G HA3 0.468 4.439 3.960 0.019 0.000 0.210 98 G C 0.454 175.287 174.900 -0.111 0.000 1.160 98 G CA 0.963 45.998 45.100 -0.109 0.000 0.770 98 G HN 1.457 nan 8.290 nan 0.000 0.543 99 A N -0.317 122.408 122.820 -0.159 0.000 2.606 99 A HA 0.704 5.036 4.320 0.019 0.000 0.293 99 A C -0.487 177.017 177.584 -0.132 0.000 1.082 99 A CA -0.040 51.922 52.037 -0.125 0.000 0.685 99 A CB 1.221 20.083 19.000 -0.230 0.000 1.284 99 A HN 0.786 nan 8.150 nan 0.000 0.408 100 S N 0.246 115.926 115.700 -0.033 0.000 2.293 100 S HA 0.484 4.966 4.470 0.019 0.000 0.154 100 S C -1.369 173.338 174.600 0.178 0.000 1.602 100 S CA -0.423 57.757 58.200 -0.034 0.000 1.260 100 S CB -0.264 62.663 63.200 -0.456 0.000 1.270 100 S HN 0.592 nan 8.310 nan 0.000 0.416 101 W N 1.633 122.916 121.300 -0.028 0.000 2.316 101 W HA 0.662 5.333 4.660 0.019 0.000 0.321 101 W C 0.846 177.304 176.519 -0.103 0.000 1.203 101 W CA -0.564 56.698 57.345 -0.139 0.000 1.214 101 W CB 0.322 29.677 29.460 -0.175 0.000 1.169 101 W HN 1.212 nan 8.180 nan 0.000 0.561 102 A N 3.159 125.982 122.820 0.005 0.000 2.360 102 A HA -0.151 4.181 4.320 0.019 0.000 0.289 102 A C -2.127 175.511 177.584 0.090 0.000 1.437 102 A CA -0.272 51.725 52.037 -0.067 0.000 0.734 102 A CB -1.947 16.979 19.000 -0.123 0.000 1.145 102 A HN 0.282 nan 8.150 nan 0.000 0.374 103 P HA 0.384 nan 4.420 nan 0.000 0.272 103 P C 0.170 177.561 177.300 0.153 0.000 1.230 103 P CA 0.220 63.398 63.100 0.131 0.000 0.788 103 P CB 1.457 33.198 31.700 0.069 0.000 0.949 104 S N 0.801 116.614 115.700 0.188 0.000 2.599 104 S HA 0.747 5.228 4.470 0.019 0.000 0.287 104 S C -1.155 173.559 174.600 0.190 0.000 1.105 104 S CA -0.662 57.657 58.200 0.199 0.000 0.899 104 S CB 0.718 64.053 63.200 0.226 0.000 1.100 104 S HN 0.382 nan 8.310 nan 0.000 0.482 105 I N 2.072 122.732 120.570 0.150 0.000 2.686 105 I HA 0.872 5.054 4.170 0.019 0.000 0.295 105 I C -0.980 175.285 176.117 0.246 0.000 1.114 105 I CA -0.191 61.148 61.300 0.065 0.000 1.038 105 I CB 1.749 39.541 38.000 -0.348 0.000 1.238 105 I HN 0.855 nan 8.210 nan 0.000 0.420 106 A N 5.453 128.474 122.820 0.335 0.000 2.572 106 A HA 0.849 5.181 4.320 0.019 0.000 0.295 106 A C -1.964 175.790 177.584 0.283 0.000 1.072 106 A CA -0.609 51.623 52.037 0.325 0.000 0.691 106 A CB 1.835 21.053 19.000 0.364 0.000 1.291 106 A HN 0.955 nan 8.150 nan 0.000 0.404 107 V N 0.984 120.978 119.914 0.134 0.000 2.656 107 V HA 0.849 4.980 4.120 0.019 0.000 0.307 107 V C -0.753 175.327 176.094 -0.024 0.000 1.051 107 V CA -0.513 61.706 62.300 -0.135 0.000 0.893 107 V CB 1.740 33.315 31.823 -0.414 0.000 0.999 107 V HN 1.038 nan 8.190 nan 0.000 0.426 108 K N 4.557 124.942 120.400 -0.026 0.000 2.525 108 K HA 0.464 4.795 4.320 0.019 0.000 0.254 108 K C -1.129 175.461 176.600 -0.016 0.000 0.934 108 K CA -0.812 55.489 56.287 0.023 0.000 0.802 108 K CB 2.005 34.550 32.500 0.076 0.000 1.295 108 K HN 0.694 nan 8.250 nan 0.000 0.433 109 K N 4.718 125.112 120.400 -0.011 0.000 2.349 109 K HA 0.253 4.584 4.320 0.019 0.000 0.289 109 K C -0.862 175.745 176.600 0.012 0.000 1.064 109 K CA -0.075 56.207 56.287 -0.009 0.000 0.947 109 K CB 0.349 32.854 32.500 0.008 0.000 1.007 109 K HN 0.472 nan 8.250 nan 0.000 0.478 110 I N 4.564 125.143 120.570 0.014 0.000 2.436 110 I HA 0.113 4.294 4.170 0.019 0.000 0.289 110 I C -0.338 175.789 176.117 0.016 0.000 1.010 110 I CA -0.850 60.468 61.300 0.031 0.000 1.098 110 I CB 1.671 39.717 38.000 0.076 0.000 1.266 110 I HN 0.778 nan 8.210 nan 0.000 0.434 111 N N 5.160 123.868 118.700 0.014 0.000 2.714 111 N HA -0.207 4.544 4.740 0.019 0.000 0.252 111 N C 0.914 176.428 175.510 0.007 0.000 1.014 111 N CA 1.285 54.340 53.050 0.009 0.000 0.735 111 N CB -1.006 37.486 38.487 0.009 0.000 0.924 111 N HN 1.173 nan 8.380 nan 0.000 0.540 112 G N -1.260 107.545 108.800 0.008 0.000 2.184 112 G HA2 -0.373 3.599 3.960 0.019 0.000 0.264 112 G HA3 -0.373 3.599 3.960 0.019 0.000 0.264 112 G C 0.028 174.934 174.900 0.010 0.000 0.975 112 G CA 1.021 46.126 45.100 0.009 0.000 0.642 112 G HN 0.690 nan 8.290 nan 0.000 0.536 113 K N 0.669 121.070 120.400 0.003 0.000 2.378 113 K HA 0.444 4.775 4.320 0.019 0.000 0.252 113 K C -1.128 175.453 176.600 -0.032 0.000 0.931 113 K CA -0.919 55.367 56.287 -0.001 0.000 0.794 113 K CB 0.988 33.484 32.500 -0.006 0.000 1.181 113 K HN -0.015 nan 8.250 nan 0.000 0.425 114 D N 3.252 123.631 120.400 -0.036 0.000 2.417 114 D HA 0.057 4.708 4.640 0.019 0.000 0.250 114 D C -0.491 175.602 176.300 -0.345 0.000 1.166 114 D CA 0.602 54.492 54.000 -0.183 0.000 0.881 114 D CB 1.033 41.761 40.800 -0.121 0.000 1.164 114 D HN 0.299 nan 8.370 nan 0.000 0.467 115 K N 2.040 122.150 120.400 -0.482 0.000 2.318 115 K HA 0.490 4.821 4.320 0.019 0.000 0.249 115 K C -1.269 174.780 176.600 -0.919 0.000 0.942 115 K CA -0.657 55.309 56.287 -0.535 0.000 0.808 115 K CB 1.056 33.356 32.500 -0.333 0.000 1.189 115 K HN 0.152 nan 8.250 nan 0.000 0.428 116 F N 2.920 122.482 119.950 -0.648 0.000 2.508 116 F HA 0.514 5.055 4.527 0.023 0.000 0.325 116 F C -0.693 174.748 175.800 -0.598 0.000 1.090 116 F CA -0.732 56.995 58.000 -0.455 0.000 0.945 116 F CB 1.229 40.021 39.000 -0.346 0.000 1.156 116 F HN 0.289 nan 8.300 nan 0.000 0.463 117 F N 3.439 123.518 119.950 0.216 0.000 2.536 117 F HA 0.509 5.052 4.527 0.027 0.000 0.322 117 F C -0.867 174.879 175.800 -0.090 0.000 1.144 117 F CA -0.872 57.151 58.000 0.039 0.000 0.924 117 F CB 1.787 40.762 39.000 -0.042 0.000 1.181 117 F HN 0.183 nan 8.300 nan 0.000 0.438 118 L N 5.239 126.406 121.223 -0.093 0.000 2.298 118 L HA 0.563 4.915 4.340 0.019 0.000 0.284 118 L C -1.531 175.206 176.870 -0.221 0.000 1.013 118 L CA -0.632 54.056 54.840 -0.253 0.000 0.824 118 L CB 0.225 41.882 42.059 -0.669 0.000 1.221 118 L HN 0.446 nan 8.230 nan 0.000 0.418 119 Y N 5.502 125.870 120.300 0.114 0.000 2.419 119 Y HA 0.719 5.281 4.550 0.020 0.000 0.328 119 Y C -0.213 175.803 175.900 0.193 0.000 1.162 119 Y CA -0.372 57.797 58.100 0.114 0.000 1.174 119 Y CB 1.518 40.021 38.460 0.071 0.000 1.228 119 Y HN 0.574 nan 8.280 nan 0.000 0.473 120 F N -0.902 119.157 119.950 0.182 0.000 2.693 120 F HA 0.880 5.419 4.527 0.021 0.000 0.309 120 F C -1.483 174.392 175.800 0.125 0.000 1.129 120 F CA -1.887 56.171 58.000 0.098 0.000 0.948 120 F CB 0.833 39.825 39.000 -0.014 0.000 1.315 120 F HN 0.504 nan 8.300 nan 0.000 0.447 121 A N 1.777 124.740 122.820 0.238 0.000 2.292 121 A HA 0.523 4.854 4.320 0.019 0.000 0.319 121 A C -0.772 176.839 177.584 0.045 0.000 1.206 121 A CA -0.705 51.404 52.037 0.119 0.000 0.835 121 A CB 0.521 19.634 19.000 0.189 0.000 1.164 121 A HN 0.761 nan 8.150 nan 0.000 0.505 122 N N 2.454 121.156 118.700 0.004 0.000 2.968 122 N HA 0.274 5.026 4.740 0.019 0.000 0.271 122 N C 0.487 175.773 175.510 -0.374 0.000 1.174 122 N CA 1.044 54.035 53.050 -0.099 0.000 1.096 122 N CB -0.797 37.759 38.487 0.115 0.000 1.403 122 N HN 0.687 nan 8.380 nan 0.000 0.522 123 S N 1.254 116.377 115.700 -0.962 0.000 3.938 123 S HA -0.242 4.239 4.470 0.019 0.000 0.624 123 S C 1.100 175.298 174.600 -0.670 0.000 2.186 123 S CA 1.188 58.463 58.200 -1.541 0.000 4.144 123 S CB -1.326 61.287 63.200 -0.978 0.000 0.230 123 S HN 0.677 nan 8.310 nan 0.000 0.755 124 G N 0.363 108.901 108.800 -0.435 0.000 3.371 124 G HA2 0.478 4.449 3.960 0.019 0.000 0.248 124 G HA3 0.478 4.449 3.960 0.019 0.000 0.248 124 G C 0.664 175.506 174.900 -0.096 0.000 1.161 124 G CA 0.709 45.671 45.100 -0.229 0.000 0.796 124 G HN 1.028 nan 8.290 nan 0.000 0.539 125 G N -0.835 107.916 108.800 -0.082 0.000 2.848 125 G HA2 0.501 4.473 3.960 0.019 0.000 0.213 125 G HA3 0.501 4.473 3.960 0.019 0.000 0.213 125 G C 0.519 175.422 174.900 0.005 0.000 1.101 125 G CA 0.524 45.609 45.100 -0.025 0.000 0.778 125 G HN 0.786 nan 8.290 nan 0.000 0.536 126 G N -0.608 108.207 108.800 0.026 0.000 2.387 126 G HA2 0.451 4.422 3.960 0.019 0.000 0.294 126 G HA3 0.451 4.422 3.960 0.019 0.000 0.294 126 G C -1.888 173.042 174.900 0.049 0.000 1.509 126 G CA -0.848 44.271 45.100 0.032 0.000 0.806 126 G HN 0.138 nan 8.290 nan 0.000 0.546 127 I N 0.693 121.264 120.570 0.001 0.000 2.474 127 I HA 0.671 4.852 4.170 0.019 0.000 0.294 127 I C 0.834 176.876 176.117 -0.125 0.000 1.005 127 I CA -0.603 60.667 61.300 -0.049 0.000 1.113 127 I CB 2.233 40.240 38.000 0.012 0.000 1.289 127 I HN 0.709 nan 8.210 nan 0.000 0.436 128 G N 3.944 112.483 108.800 -0.435 0.000 2.644 128 G HA2 0.716 4.688 3.960 0.019 0.000 0.307 128 G HA3 0.716 4.688 3.960 0.019 0.000 0.307 128 G C -1.681 172.967 174.900 -0.421 0.000 1.250 128 G CA -0.618 44.246 45.100 -0.393 0.000 0.996 128 G HN 0.417 nan 8.290 nan 0.000 0.489 129 V N -0.091 119.799 119.914 -0.041 0.000 2.808 129 V HA 0.714 4.846 4.120 0.019 0.000 0.308 129 V C -1.112 175.089 176.094 0.179 0.000 1.099 129 V CA -0.764 61.503 62.300 -0.054 0.000 0.920 129 V CB 1.719 33.422 31.823 -0.199 0.000 1.014 129 V HN 0.650 nan 8.190 nan 0.000 0.425 130 L N 4.696 126.006 121.223 0.146 0.000 2.319 130 L HA 0.845 5.196 4.340 0.019 0.000 0.267 130 L C -0.078 176.959 176.870 0.277 0.000 1.011 130 L CA -0.602 54.371 54.840 0.222 0.000 0.818 130 L CB 2.532 44.686 42.059 0.158 0.000 1.316 130 L HN 0.820 nan 8.230 nan 0.000 0.432 131 T N -1.214 113.517 114.554 0.295 0.000 2.907 131 T HA 0.916 5.278 4.350 0.019 0.000 0.292 131 T C -0.699 173.966 174.700 -0.058 0.000 1.043 131 T CA -0.686 61.448 62.100 0.057 0.000 1.003 131 T CB 2.479 71.291 68.868 -0.094 0.000 1.084 131 T HN 0.888 nan 8.240 nan 0.000 0.483 132 A N 0.831 123.427 122.820 -0.374 0.000 2.610 132 A HA 0.674 5.006 4.320 0.019 0.000 0.291 132 A C -0.464 176.908 177.584 -0.353 0.000 1.086 132 A CA -0.753 50.923 52.037 -0.601 0.000 0.677 132 A CB 1.094 19.198 19.000 -1.494 0.000 1.278 132 A HN 0.730 nan 8.150 nan 0.000 0.414 133 D N 0.551 120.760 120.400 -0.318 0.000 2.349 133 D HA 0.179 4.830 4.640 0.019 0.000 0.214 133 D C 0.581 176.797 176.300 -0.140 0.000 1.063 133 D CA 1.395 55.318 54.000 -0.127 0.000 0.847 133 D CB 0.566 41.288 40.800 -0.130 0.000 0.933 133 D HN 0.635 nan 8.370 nan 0.000 0.513 134 S N -0.637 114.729 115.700 -0.557 0.000 2.588 134 S HA 0.453 4.934 4.470 0.019 0.000 0.275 134 S C -2.483 171.133 174.600 -1.639 0.000 1.130 134 S CA -1.178 56.440 58.200 -0.970 0.000 0.855 134 S CB 2.694 65.556 63.200 -0.564 0.000 1.116 134 S HN -0.355 nan 8.310 nan 0.000 0.472 135 P HA 0.062 nan 4.420 nan 0.000 0.225 135 P C 1.018 177.990 177.300 -0.546 0.000 1.148 135 P CA 0.885 63.164 63.100 -1.368 0.000 0.779 135 P CB -0.385 30.349 31.700 -1.611 0.000 0.780 136 I N -6.336 113.909 120.570 -0.542 0.000 3.974 136 I HA 0.561 4.742 4.170 0.019 0.000 0.334 136 I C 0.711 176.697 176.117 -0.219 0.000 1.437 136 I CA -0.311 60.873 61.300 -0.193 0.000 1.113 136 I CB -0.004 37.816 38.000 -0.299 0.000 1.063 136 I HN -0.035 nan 8.210 nan 0.000 0.400 137 G N 2.268 110.575 108.800 -0.821 0.000 2.548 137 G HA2 -0.140 3.832 3.960 0.019 0.000 0.208 137 G HA3 -0.140 3.832 3.960 0.019 0.000 0.208 137 G C -2.965 171.555 174.900 -0.634 0.000 1.308 137 G CA -0.532 43.852 45.100 -1.194 0.000 0.924 137 G HN 0.217 nan 8.290 nan 0.000 0.540 138 P HA 0.428 nan 4.420 nan 0.000 0.272 138 P C -0.802 176.214 177.300 -0.473 0.000 1.230 138 P CA 0.006 62.900 63.100 -0.343 0.000 0.788 138 P CB 0.401 32.011 31.700 -0.151 0.000 0.949 139 W N -0.281 120.975 121.300 -0.073 0.000 2.627 139 W HA 0.486 5.156 4.660 0.017 0.000 0.339 139 W C -0.026 176.466 176.519 -0.045 0.000 1.058 139 W CA -0.132 57.172 57.345 -0.069 0.000 1.223 139 W CB 1.426 30.845 29.460 -0.069 0.000 1.389 139 W HN 0.087 nan 8.180 nan 0.000 0.541 140 T N 1.645 116.329 114.554 0.216 0.000 2.861 140 T HA 0.129 4.490 4.350 0.019 0.000 0.287 140 T C -1.421 173.384 174.700 0.175 0.000 1.003 140 T CA -0.600 61.583 62.100 0.137 0.000 0.977 140 T CB 1.386 70.293 68.868 0.066 0.000 0.996 140 T HN 0.221 nan 8.240 nan 0.000 0.448 141 D N 3.626 124.124 120.400 0.164 0.000 2.428 141 D HA 0.287 4.939 4.640 0.019 0.000 0.221 141 D C -1.249 175.153 176.300 0.169 0.000 1.123 141 D CA -2.214 51.911 54.000 0.210 0.000 0.869 141 D CB 1.265 42.221 40.800 0.259 0.000 1.032 141 D HN 0.157 nan 8.370 nan 0.000 0.506 142 P HA 0.134 nan 4.420 nan 0.000 0.249 142 P C 1.121 178.472 177.300 0.085 0.000 1.229 142 P CA 0.202 63.366 63.100 0.106 0.000 0.788 142 P CB 0.593 32.358 31.700 0.107 0.000 1.072 143 I N -0.737 119.891 120.570 0.096 0.000 2.810 143 I HA 0.130 4.311 4.170 0.019 0.000 0.262 143 I C 1.512 177.638 176.117 0.014 0.000 1.131 143 I CA 0.309 61.625 61.300 0.027 0.000 1.453 143 I CB -0.747 37.234 38.000 -0.032 0.000 1.161 143 I HN -0.112 nan 8.210 nan 0.000 0.444 144 G N 3.713 112.566 108.800 0.087 0.000 2.563 144 G HA2 0.222 4.193 3.960 0.019 0.000 0.295 144 G HA3 0.222 4.193 3.960 0.019 0.000 0.295 144 G C -0.215 174.551 174.900 -0.224 0.000 0.874 144 G CA 0.120 45.320 45.100 0.167 0.000 1.642 144 G HN 0.237 nan 8.290 nan 0.000 0.483 145 K N 2.223 122.227 120.400 -0.660 0.000 2.439 145 K HA 0.442 4.773 4.320 0.019 0.000 0.260 145 K C -2.784 172.909 176.600 -1.511 0.000 1.032 145 K CA -2.089 53.556 56.287 -1.070 0.000 0.882 145 K CB 2.175 34.377 32.500 -0.496 0.000 1.420 145 K HN 0.043 nan 8.250 nan 0.000 0.455 146 P HA -0.051 nan 4.420 nan 0.000 0.267 146 P C 0.275 177.291 177.300 -0.473 0.000 1.200 146 P CA -0.132 62.340 63.100 -1.047 0.000 0.772 146 P CB 0.467 31.801 31.700 -0.611 0.000 0.855 147 L N 3.948 125.013 121.223 -0.263 0.000 2.044 147 L HA 0.039 4.390 4.340 0.019 0.000 0.205 147 L C 0.310 177.115 176.870 -0.108 0.000 1.075 147 L CA 1.884 56.648 54.840 -0.126 0.000 0.747 147 L CB 0.053 42.101 42.059 -0.017 0.000 0.903 147 L HN 0.088 nan 8.230 nan 0.000 0.435 148 V N 0.027 119.884 119.914 -0.095 0.000 2.540 148 V HA 0.568 4.699 4.120 0.019 0.000 0.302 148 V C -0.087 175.963 176.094 -0.072 0.000 1.035 148 V CA 0.008 62.267 62.300 -0.068 0.000 0.873 148 V CB 1.508 33.311 31.823 -0.033 0.000 0.992 148 V HN 0.504 nan 8.190 nan 0.000 0.428 149 T N 2.017 116.530 114.554 -0.068 0.000 2.831 149 T HA 0.533 4.894 4.350 0.019 0.000 0.287 149 T C -2.504 172.173 174.700 -0.038 0.000 1.070 149 T CA -2.017 60.049 62.100 -0.056 0.000 1.010 149 T CB 2.121 70.944 68.868 -0.076 0.000 1.264 149 T HN 0.313 nan 8.240 nan 0.000 0.532 150 P HA 0.089 nan 4.420 nan 0.000 0.228 150 P C 1.196 178.476 177.300 -0.033 0.000 1.151 150 P CA 0.622 63.706 63.100 -0.027 0.000 0.770 150 P CB -0.040 31.646 31.700 -0.023 0.000 0.786 151 S N -2.038 113.638 115.700 -0.040 0.000 2.527 151 S HA 0.025 4.507 4.470 0.019 0.000 0.222 151 S C 0.821 175.394 174.600 -0.044 0.000 0.985 151 S CA 0.451 58.627 58.200 -0.041 0.000 0.921 151 S CB -0.752 62.421 63.200 -0.045 0.000 0.772 151 S HN 0.202 nan 8.310 nan 0.000 0.529 152 T N 4.707 119.233 114.554 -0.047 0.000 2.902 152 T HA 0.145 4.507 4.350 0.019 0.000 0.301 152 T C -2.557 172.118 174.700 -0.042 0.000 1.012 152 T CA -0.791 61.281 62.100 -0.047 0.000 1.151 152 T CB 0.423 69.261 68.868 -0.049 0.000 0.946 152 T HN 0.023 nan 8.240 nan 0.000 0.542 153 P HA 0.165 nan 4.420 nan 0.000 0.260 153 P C 1.019 178.296 177.300 -0.038 0.000 1.185 153 P CA 0.946 64.023 63.100 -0.038 0.000 0.763 153 P CB 0.135 31.813 31.700 -0.038 0.000 0.776 154 G N 3.281 112.059 108.800 -0.036 0.000 2.195 154 G HA2 -0.265 3.707 3.960 0.019 0.000 0.246 154 G HA3 -0.265 3.707 3.960 0.019 0.000 0.246 154 G C 0.727 175.605 174.900 -0.036 0.000 0.984 154 G CA -0.088 44.990 45.100 -0.037 0.000 0.633 154 G HN 0.440 nan 8.290 nan 0.000 0.525 155 M N 1.747 121.327 119.600 -0.034 0.000 2.428 155 M HA 0.177 4.668 4.480 0.019 0.000 0.239 155 M C 2.431 178.714 176.300 -0.029 0.000 1.121 155 M CA 1.306 56.589 55.300 -0.028 0.000 1.019 155 M CB -0.146 32.440 32.600 -0.024 0.000 1.485 155 M HN 0.539 nan 8.290 nan 0.000 0.484 156 S N 0.280 115.959 115.700 -0.034 0.000 2.382 156 S HA -0.068 4.413 4.470 0.019 0.000 0.228 156 S C 1.820 176.396 174.600 -0.040 0.000 1.027 156 S CA 1.413 59.592 58.200 -0.035 0.000 0.991 156 S CB -0.982 62.197 63.200 -0.035 0.000 0.823 156 S HN 0.532 nan 8.310 nan 0.000 0.469 157 G N 1.040 109.812 108.800 -0.046 0.000 3.181 157 G HA2 0.376 4.348 3.960 0.019 0.000 0.219 157 G HA3 0.376 4.348 3.960 0.019 0.000 0.219 157 G C 0.105 174.965 174.900 -0.066 0.000 1.182 157 G CA -0.304 44.761 45.100 -0.058 0.000 0.791 157 G HN 0.404 nan 8.290 nan 0.000 0.537 158 V N 1.041 120.924 119.914 -0.051 0.000 2.508 158 V HA 0.040 4.171 4.120 0.019 0.000 0.281 158 V C 1.567 177.617 176.094 -0.074 0.000 1.041 158 V CA -0.235 62.035 62.300 -0.050 0.000 1.016 158 V CB 1.485 33.302 31.823 -0.011 0.000 0.984 158 V HN 0.074 nan 8.190 nan 0.000 0.478 159 V N 4.081 123.911 119.914 -0.139 0.000 2.273 159 V HA -0.021 4.111 4.120 0.019 0.000 0.242 159 V C 0.359 176.378 176.094 -0.126 0.000 1.035 159 V CA 1.197 63.365 62.300 -0.221 0.000 1.013 159 V CB -0.050 31.511 31.823 -0.437 0.000 0.652 159 V HN 0.809 nan 8.190 nan 0.000 0.452 160 W N 0.686 121.825 121.300 -0.267 0.000 2.336 160 W HA 0.488 5.159 4.660 0.018 0.000 0.315 160 W C -0.625 175.656 176.519 -0.396 0.000 1.016 160 W CA -1.734 55.285 57.345 -0.544 0.000 1.318 160 W CB 0.871 29.619 29.460 -1.187 0.000 1.247 160 W HN -0.007 nan 8.180 nan 0.000 0.414 161 L N 7.688 128.914 121.223 0.005 0.000 2.384 161 L HA 0.295 4.646 4.340 0.019 0.000 0.258 161 L C -0.376 176.640 176.870 0.242 0.000 1.266 161 L CA -0.129 54.774 54.840 0.105 0.000 1.162 161 L CB -1.535 40.557 42.059 0.056 0.000 1.375 161 L HN 0.302 nan 8.230 nan 0.000 0.420 162 F N -0.892 119.151 119.950 0.155 0.000 3.049 162 F HA 0.458 4.995 4.527 0.018 0.000 0.329 162 F C -0.472 175.445 175.800 0.195 0.000 1.208 162 F CA -1.506 56.584 58.000 0.151 0.000 0.956 162 F CB 0.684 39.774 39.000 0.149 0.000 1.469 162 F HN -0.050 nan 8.300 nan 0.000 0.516 163 D N 1.619 122.074 120.400 0.091 0.000 2.803 163 D HA -0.098 4.554 4.640 0.019 0.000 0.233 163 D C -2.503 173.904 176.300 0.180 0.000 1.182 163 D CA 0.499 54.519 54.000 0.032 0.000 0.726 163 D CB -1.112 39.609 40.800 -0.130 0.000 0.987 163 D HN 0.334 nan 8.370 nan 0.000 0.412 164 P HA 0.366 nan 4.420 nan 0.000 0.275 164 P C -0.879 176.525 177.300 0.173 0.000 1.228 164 P CA -0.349 62.854 63.100 0.173 0.000 0.786 164 P CB 1.412 33.199 31.700 0.144 0.000 0.927 165 A N 2.896 125.837 122.820 0.202 0.000 2.353 165 A HA 0.547 4.879 4.320 0.019 0.000 0.299 165 A C -0.904 176.834 177.584 0.258 0.000 1.089 165 A CA -0.642 51.524 52.037 0.216 0.000 0.736 165 A CB 1.164 20.286 19.000 0.202 0.000 1.195 165 A HN 0.299 nan 8.150 nan 0.000 0.447 166 V N 2.786 122.795 119.914 0.159 0.000 2.459 166 V HA 0.575 4.706 4.120 0.019 0.000 0.295 166 V C -0.934 175.366 176.094 0.344 0.000 1.029 166 V CA -0.376 61.989 62.300 0.108 0.000 0.874 166 V CB 1.340 32.931 31.823 -0.386 0.000 0.985 166 V HN 0.798 nan 8.190 nan 0.000 0.438 167 F N 5.360 125.481 119.950 0.285 0.000 2.507 167 F HA 0.722 5.256 4.527 0.012 0.000 0.325 167 F C -0.505 175.486 175.800 0.318 0.000 1.116 167 F CA -0.770 57.437 58.000 0.345 0.000 0.930 167 F CB 1.803 41.088 39.000 0.475 0.000 1.146 167 F HN 0.243 nan 8.300 nan 0.000 0.447 168 V N 5.975 125.687 119.914 -0.337 0.000 2.350 168 V HA 0.211 4.342 4.120 0.019 0.000 0.276 168 V C -0.041 175.637 176.094 -0.694 0.000 1.028 168 V CA -0.616 61.481 62.300 -0.339 0.000 0.860 168 V CB 0.969 32.710 31.823 -0.137 0.000 0.990 168 V HN 0.704 nan 8.190 nan 0.000 0.453 169 D N 2.832 122.997 120.400 -0.392 0.000 2.398 169 D HA 0.072 4.723 4.640 0.019 0.000 0.247 169 D C 1.096 177.400 176.300 0.006 0.000 1.227 169 D CA -0.333 53.589 54.000 -0.131 0.000 0.980 169 D CB 1.068 42.128 40.800 0.432 0.000 1.106 169 D HN 0.530 nan 8.370 nan 0.000 0.493 170 D N -0.350 120.130 120.400 0.133 0.000 2.218 170 D HA -0.158 4.493 4.640 0.019 0.000 0.204 170 D C 0.975 177.326 176.300 0.085 0.000 0.976 170 D CA 0.899 54.961 54.000 0.104 0.000 0.853 170 D CB -0.004 40.871 40.800 0.126 0.000 0.939 170 D HN 0.534 nan 8.370 nan 0.000 0.481 171 D N -0.754 119.712 120.400 0.110 0.000 2.349 171 D HA 0.049 4.700 4.640 0.019 0.000 0.224 171 D C 1.524 177.852 176.300 0.048 0.000 1.029 171 D CA 0.826 54.875 54.000 0.082 0.000 0.879 171 D CB -0.066 40.796 40.800 0.103 0.000 0.906 171 D HN 0.226 nan 8.370 nan 0.000 0.528 172 G N -0.468 108.350 108.800 0.030 0.000 2.176 172 G HA2 -0.257 3.715 3.960 0.019 0.000 0.253 172 G HA3 -0.257 3.715 3.960 0.019 0.000 0.253 172 G C 0.344 175.216 174.900 -0.047 0.000 0.979 172 G CA 0.307 45.400 45.100 -0.011 0.000 0.641 172 G HN 0.450 nan 8.290 nan 0.000 0.530 173 T N 1.599 116.135 114.554 -0.030 0.000 2.814 173 T HA 0.534 4.895 4.350 0.019 0.000 0.297 173 T C 0.914 175.477 174.700 -0.228 0.000 0.956 173 T CA 0.472 62.482 62.100 -0.150 0.000 1.123 173 T CB 1.554 70.344 68.868 -0.130 0.000 0.902 173 T HN 0.982 nan 8.240 nan 0.000 0.528 174 G N 2.045 110.648 108.800 -0.327 0.000 2.420 174 G HA2 0.557 4.528 3.960 0.019 0.000 0.284 174 G HA3 0.557 4.528 3.960 0.019 0.000 0.284 174 G C -1.437 173.172 174.900 -0.485 0.000 1.177 174 G CA -0.426 44.520 45.100 -0.257 0.000 0.841 174 G HN 0.650 nan 8.290 nan 0.000 0.527 175 Y N -0.176 120.163 120.300 0.066 0.000 2.457 175 Y HA 0.457 5.004 4.550 -0.005 0.000 0.343 175 Y C -0.316 175.560 175.900 -0.041 0.000 0.994 175 Y CA -0.936 57.165 58.100 0.002 0.000 1.031 175 Y CB 2.594 41.120 38.460 0.110 0.000 1.246 175 Y HN 0.532 nan 8.280 nan 0.000 0.449 176 L N 4.027 125.195 121.223 -0.091 0.000 2.313 176 L HA 0.610 4.961 4.340 0.019 0.000 0.283 176 L C -1.917 174.828 176.870 -0.208 0.000 1.013 176 L CA -0.816 53.961 54.840 -0.105 0.000 0.816 176 L CB 0.371 42.334 42.059 -0.160 0.000 1.236 176 L HN 0.508 nan 8.230 nan 0.000 0.419 177 Y N 4.396 124.761 120.300 0.107 0.000 2.387 177 Y HA 0.869 5.431 4.550 0.021 0.000 0.336 177 Y C 0.401 176.386 175.900 0.143 0.000 1.067 177 Y CA -0.127 58.057 58.100 0.140 0.000 1.114 177 Y CB 1.960 40.571 38.460 0.252 0.000 1.208 177 Y HN 0.881 nan 8.280 nan 0.000 0.458 178 A N 1.226 124.205 122.820 0.264 0.000 2.540 178 A HA 0.855 5.187 4.320 0.019 0.000 0.291 178 A C -0.234 177.500 177.584 0.250 0.000 1.083 178 A CA -0.169 52.017 52.037 0.249 0.000 0.650 178 A CB 1.030 20.134 19.000 0.174 0.000 1.292 178 A HN 1.595 nan 8.150 nan 0.000 0.435 179 G N -1.423 107.571 108.800 0.324 0.000 2.409 179 G HA2 0.649 4.620 3.960 0.019 0.000 0.421 179 G HA3 0.649 4.620 3.960 0.019 0.000 0.421 179 G C 0.783 175.922 174.900 0.399 0.000 1.259 179 G CA 0.895 46.167 45.100 0.287 0.000 1.011 179 G HN 3.136 nan 8.290 nan 0.000 0.497 180 G N -2.340 106.606 108.800 0.243 0.000 2.315 180 G HA2 0.597 4.568 3.960 0.019 0.000 0.296 180 G HA3 0.597 4.568 3.960 0.019 0.000 0.296 180 G C 0.998 175.878 174.900 -0.034 0.000 1.289 180 G CA 1.288 46.538 45.100 0.251 0.000 0.996 180 G HN 3.210 nan 8.290 nan 0.000 0.487 181 G N -2.641 106.020 108.800 -0.231 0.000 2.781 181 G HA2 0.367 4.339 3.960 0.019 0.000 0.683 181 G HA3 0.367 4.339 3.960 0.019 0.000 0.683 181 G C -0.509 174.116 174.900 -0.460 0.000 1.390 181 G CA 0.326 44.826 45.100 -1.001 0.000 0.850 181 G HN 1.920 nan 8.290 nan 0.000 0.557 182 V N 2.866 122.469 119.914 -0.519 0.000 2.487 182 V HA 0.659 4.791 4.120 0.019 0.000 0.298 182 V C -1.535 174.307 176.094 -0.420 0.000 1.028 182 V CA -0.977 61.099 62.300 -0.374 0.000 0.860 182 V CB 1.980 33.534 31.823 -0.447 0.000 0.991 182 V HN 0.869 nan 8.190 nan 0.000 0.427 183 P HA 0.405 nan 4.420 nan 0.000 0.274 183 P C 0.675 177.798 177.300 -0.296 0.000 1.237 183 P CA 0.497 63.431 63.100 -0.276 0.000 0.793 183 P CB 1.265 32.839 31.700 -0.210 0.000 0.977 184 G N -0.837 107.832 108.800 -0.218 0.000 2.175 184 G HA2 -0.129 3.843 3.960 0.019 0.000 0.182 184 G HA3 -0.129 3.843 3.960 0.019 0.000 0.182 184 G C 0.306 175.116 174.900 -0.149 0.000 1.003 184 G CA -0.077 44.911 45.100 -0.187 0.000 0.666 184 G HN 0.506 nan 8.290 nan 0.000 0.506 185 V N -0.254 119.575 119.914 -0.142 0.000 0.689 185 V HA -0.397 3.734 4.120 0.019 0.000 0.092 185 V C 2.248 178.315 176.094 -0.045 0.000 0.807 185 V CA 2.981 65.237 62.300 -0.074 0.000 3.104 185 V CB -1.954 29.848 31.823 -0.036 0.000 0.206 185 V HN 1.452 nan 8.190 nan 0.000 0.123 186 S N 0.532 116.231 115.700 -0.002 0.000 2.428 186 S HA -0.023 4.459 4.470 0.019 0.000 0.230 186 S C 0.796 175.428 174.600 0.053 0.000 1.014 186 S CA 1.671 59.896 58.200 0.041 0.000 0.957 186 S CB -0.439 62.789 63.200 0.046 0.000 0.784 186 S HN 0.853 nan 8.310 nan 0.000 0.499 187 N N 1.017 119.722 118.700 0.009 0.000 2.675 187 N HA 0.423 5.175 4.740 0.019 0.000 0.254 187 N C -3.256 172.222 175.510 -0.053 0.000 1.224 187 N CA -1.629 51.443 53.050 0.037 0.000 0.777 187 N CB 1.346 39.868 38.487 0.058 0.000 1.256 187 N HN 0.026 nan 8.380 nan 0.000 0.531 188 P HA 0.135 nan 4.420 nan 0.000 0.271 188 P C 0.024 177.227 177.300 -0.163 0.000 1.218 188 P CA -0.169 62.690 63.100 -0.402 0.000 0.780 188 P CB 0.487 31.509 31.700 -1.130 0.000 0.901 189 T N -1.076 113.408 114.554 -0.117 0.000 2.813 189 T HA 0.045 4.406 4.350 0.019 0.000 0.297 189 T C 1.281 176.054 174.700 0.120 0.000 1.036 189 T CA -0.255 61.856 62.100 0.019 0.000 1.044 189 T CB 0.553 69.411 68.868 -0.016 0.000 0.993 189 T HN 0.285 nan 8.240 nan 0.000 0.535 190 Q N 1.625 121.543 119.800 0.197 0.000 2.096 190 Q HA -0.065 4.286 4.340 0.019 0.000 0.208 190 Q C 2.325 178.391 176.000 0.110 0.000 0.993 190 Q CA 2.657 58.602 55.803 0.238 0.000 0.862 190 Q CB -1.247 27.574 28.738 0.138 0.000 0.915 190 Q HN 0.986 nan 8.270 nan 0.000 0.416 191 G N -0.573 108.231 108.800 0.006 0.000 2.422 191 G HA2 -0.257 3.714 3.960 0.019 0.000 0.218 191 G HA3 -0.257 3.714 3.960 0.019 0.000 0.218 191 G C 1.245 176.064 174.900 -0.135 0.000 1.140 191 G CA 0.701 45.754 45.100 -0.079 0.000 0.775 191 G HN 0.474 nan 8.290 nan 0.000 0.545 192 Q N -0.731 118.986 119.800 -0.138 0.000 2.079 192 Q HA -0.108 4.243 4.340 0.019 0.000 0.200 192 Q C 2.330 178.187 176.000 -0.237 0.000 0.974 192 Q CA 1.135 56.804 55.803 -0.223 0.000 0.840 192 Q CB -0.201 28.360 28.738 -0.295 0.000 0.898 192 Q HN 0.741 nan 8.270 nan 0.000 0.430 193 W N 0.564 121.784 121.300 -0.134 0.000 2.338 193 W HA -0.185 4.486 4.660 0.019 0.000 0.304 193 W C 2.487 178.713 176.519 -0.487 0.000 1.212 193 W CA 0.919 58.187 57.345 -0.129 0.000 1.264 193 W CB -0.180 29.297 29.460 0.028 0.000 1.142 193 W HN 0.151 nan 8.180 nan 0.000 0.512 194 A N -0.582 121.905 122.820 -0.556 0.000 1.968 194 A HA -0.047 4.284 4.320 0.019 0.000 0.217 194 A C 0.861 177.969 177.584 -0.792 0.000 1.169 194 A CA 1.046 52.220 52.037 -1.438 0.000 0.638 194 A CB -0.326 18.093 19.000 -0.969 0.000 0.812 194 A HN 0.252 nan 8.150 nan 0.000 0.446 195 N N -0.911 117.545 118.700 -0.406 0.000 2.726 195 N HA 0.201 4.952 4.740 0.019 0.000 0.253 195 N C -2.604 172.794 175.510 -0.186 0.000 1.530 195 N CA -0.803 52.093 53.050 -0.257 0.000 0.772 195 N CB 1.359 39.724 38.487 -0.202 0.000 1.220 195 N HN 0.023 nan 8.380 nan 0.000 0.508 196 P HA -0.094 nan 4.420 nan 0.000 0.218 196 P C -0.172 177.054 177.300 -0.122 0.000 1.149 196 P CA 1.051 64.069 63.100 -0.137 0.000 0.817 196 P CB 0.274 31.926 31.700 -0.080 0.000 0.785 197 K N -1.333 119.002 120.400 -0.108 0.000 3.077 197 K HA -0.153 4.179 4.320 0.019 0.000 0.264 197 K C 0.382 176.934 176.600 -0.080 0.000 1.008 197 K CA 1.016 57.247 56.287 -0.094 0.000 0.740 197 K CB -2.518 29.928 32.500 -0.091 0.000 1.273 197 K HN 0.397 nan 8.250 nan 0.000 0.477 198 T N -3.358 111.156 114.554 -0.066 0.000 3.054 198 T HA 0.398 4.760 4.350 0.019 0.000 0.255 198 T C 0.670 175.371 174.700 0.002 0.000 1.035 198 T CA 0.101 62.174 62.100 -0.046 0.000 0.941 198 T CB 0.541 69.368 68.868 -0.067 0.000 1.026 198 T HN 0.373 nan 8.240 nan 0.000 0.533 199 A N 2.085 124.898 122.820 -0.010 0.000 2.354 199 A HA 0.751 5.083 4.320 0.019 0.000 0.269 199 A C 0.097 177.655 177.584 -0.044 0.000 1.109 199 A CA -0.688 51.354 52.037 0.009 0.000 0.800 199 A CB 0.498 19.473 19.000 -0.041 0.000 1.045 199 A HN 0.308 nan 8.150 nan 0.000 0.489 200 R N 0.432 120.926 120.500 -0.011 0.000 2.771 200 R HA 0.640 4.992 4.340 0.019 0.000 0.274 200 R C -1.694 174.560 176.300 -0.075 0.000 0.987 200 R CA -0.705 55.368 56.100 -0.045 0.000 0.908 200 R CB 1.751 32.039 30.300 -0.020 0.000 1.213 200 R HN 0.633 nan 8.270 nan 0.000 0.468 201 V N 3.456 123.284 119.914 -0.144 0.000 2.588 201 V HA 0.652 4.784 4.120 0.019 0.000 0.304 201 V C -0.856 175.125 176.094 -0.188 0.000 1.042 201 V CA -0.778 61.335 62.300 -0.312 0.000 0.877 201 V CB 1.941 33.490 31.823 -0.458 0.000 0.996 201 V HN 0.727 nan 8.190 nan 0.000 0.425 202 I N 5.177 125.636 120.570 -0.186 0.000 2.647 202 I HA 0.524 4.706 4.170 0.019 0.000 0.295 202 I C -0.257 175.811 176.117 -0.082 0.000 1.078 202 I CA -0.866 60.374 61.300 -0.098 0.000 1.048 202 I CB 1.833 39.781 38.000 -0.087 0.000 1.239 202 I HN 0.716 nan 8.210 nan 0.000 0.421 203 K N 6.621 126.983 120.400 -0.064 0.000 2.350 203 K HA 0.381 4.712 4.320 0.019 0.000 0.279 203 K C -1.140 175.327 176.600 -0.222 0.000 1.027 203 K CA -0.282 55.879 56.287 -0.209 0.000 0.969 203 K CB 0.687 33.079 32.500 -0.180 0.000 0.954 203 K HN 0.545 nan 8.250 nan 0.000 0.474 204 L N 2.470 123.512 121.223 -0.301 0.000 2.379 204 L HA 0.346 4.697 4.340 0.019 0.000 0.269 204 L C 1.053 177.798 176.870 -0.208 0.000 1.084 204 L CA -0.772 53.937 54.840 -0.218 0.000 0.802 204 L CB 1.379 43.306 42.059 -0.220 0.000 1.175 204 L HN 0.790 nan 8.230 nan 0.000 0.448 205 G N 0.955 109.665 108.800 -0.149 0.000 2.667 205 G HA2 0.178 4.149 3.960 0.019 0.000 0.250 205 G HA3 0.178 4.149 3.960 0.019 0.000 0.250 205 G C -1.904 172.912 174.900 -0.140 0.000 1.212 205 G CA -0.817 44.208 45.100 -0.125 0.000 0.874 205 G HN 0.488 nan 8.290 nan 0.000 0.561 206 P HA -0.108 nan 4.420 nan 0.000 0.217 206 P C 1.244 178.482 177.300 -0.104 0.000 1.148 206 P CA 1.624 64.666 63.100 -0.098 0.000 0.828 206 P CB 0.114 31.778 31.700 -0.060 0.000 0.783 207 D N -2.240 118.107 120.400 -0.088 0.000 2.363 207 D HA -0.091 4.560 4.640 0.019 0.000 0.220 207 D C 0.970 177.140 176.300 -0.216 0.000 0.994 207 D CA 0.443 54.405 54.000 -0.063 0.000 0.890 207 D CB -0.692 40.108 40.800 0.001 0.000 0.906 207 D HN -0.041 nan 8.370 nan 0.000 0.530 208 M N -0.678 118.734 119.600 -0.313 0.000 2.907 208 M HA -0.167 4.325 4.480 0.019 0.000 0.186 208 M C 0.428 176.576 176.300 -0.254 0.000 0.631 208 M CA 1.554 56.560 55.300 -0.490 0.000 0.700 208 M CB -3.060 28.743 32.600 -1.327 0.000 2.523 208 M HN 0.474 nan 8.290 nan 0.000 0.323 209 T N -2.096 112.399 114.554 -0.099 0.000 3.380 209 T HA 0.535 4.897 4.350 0.019 0.000 0.289 209 T C 0.279 174.982 174.700 0.004 0.000 1.012 209 T CA 0.497 62.611 62.100 0.023 0.000 0.944 209 T CB 0.333 69.260 68.868 0.097 0.000 1.172 209 T HN 0.577 nan 8.240 nan 0.000 0.502 210 S N 0.046 115.729 115.700 -0.028 0.000 2.588 210 S HA 0.779 5.261 4.470 0.019 0.000 0.269 210 S C -0.782 173.781 174.600 -0.062 0.000 1.157 210 S CA -0.477 57.699 58.200 -0.041 0.000 0.824 210 S CB 1.437 64.611 63.200 -0.044 0.000 1.126 210 S HN 0.967 nan 8.310 nan 0.000 0.464 211 V N -0.807 119.069 119.914 -0.064 0.000 2.919 211 V HA 1.006 5.138 4.120 0.019 0.000 0.316 211 V C -0.049 176.000 176.094 -0.076 0.000 1.077 211 V CA -0.594 61.659 62.300 -0.079 0.000 0.977 211 V CB 1.095 32.875 31.823 -0.072 0.000 1.039 211 V HN 1.710 nan 8.190 nan 0.000 0.441 212 V N 0.305 120.167 119.914 -0.086 0.000 2.680 212 V HA 1.051 5.182 4.120 0.019 0.000 0.309 212 V C 0.668 176.727 176.094 -0.060 0.000 1.052 212 V CA 0.300 62.557 62.300 -0.071 0.000 0.908 212 V CB 0.515 32.291 31.823 -0.078 0.000 1.001 212 V HN 2.565 nan 8.190 nan 0.000 0.431 213 G N 3.659 112.431 108.800 -0.047 0.000 2.552 213 G HA2 -0.047 3.925 3.960 0.019 0.000 0.265 213 G HA3 -0.047 3.925 3.960 0.019 0.000 0.265 213 G C 0.130 175.006 174.900 -0.040 0.000 1.234 213 G CA 0.482 45.558 45.100 -0.038 0.000 0.944 213 G HN 2.473 nan 8.290 nan 0.000 0.568 214 S N -0.609 115.069 115.700 -0.036 0.000 2.648 214 S HA 0.884 5.366 4.470 0.019 0.000 0.305 214 S C 0.229 174.805 174.600 -0.040 0.000 1.094 214 S CA 0.491 58.668 58.200 -0.038 0.000 0.983 214 S CB 1.847 65.027 63.200 -0.034 0.000 1.101 214 S HN 2.411 nan 8.310 nan 0.000 0.514 215 A N 1.307 124.101 122.820 -0.044 0.000 2.407 215 A HA 0.631 4.962 4.320 0.019 0.000 0.248 215 A C 0.305 177.862 177.584 -0.045 0.000 1.082 215 A CA -0.441 51.566 52.037 -0.050 0.000 0.785 215 A CB -0.063 18.907 19.000 -0.050 0.000 1.020 215 A HN 0.774 nan 8.150 nan 0.000 0.489 216 S N 0.275 115.945 115.700 -0.049 0.000 2.509 216 S HA 0.496 4.978 4.470 0.019 0.000 0.297 216 S C 0.160 174.731 174.600 -0.050 0.000 1.118 216 S CA -0.385 57.790 58.200 -0.041 0.000 1.074 216 S CB 1.314 64.497 63.200 -0.029 0.000 1.038 216 S HN 0.752 nan 8.310 nan 0.000 0.498 217 T N 3.124 117.650 114.554 -0.046 0.000 2.884 217 T HA 0.360 4.721 4.350 0.019 0.000 0.298 217 T C 0.066 174.728 174.700 -0.064 0.000 0.998 217 T CA -0.017 62.048 62.100 -0.059 0.000 1.124 217 T CB -0.024 68.812 68.868 -0.055 0.000 0.931 217 T HN 0.384 nan 8.240 nan 0.000 0.531 218 I N 3.049 123.548 120.570 -0.119 0.000 2.312 218 I HA 0.169 4.350 4.170 0.019 0.000 0.290 218 I C 0.307 176.333 176.117 -0.152 0.000 1.008 218 I CA -0.595 60.606 61.300 -0.166 0.000 1.226 218 I CB 1.167 38.886 38.000 -0.468 0.000 1.371 218 I HN 0.500 nan 8.210 nan 0.000 0.468 219 D N 6.833 127.185 120.400 -0.082 0.000 2.608 219 D HA 0.220 4.872 4.640 0.019 0.000 0.224 219 D C 0.174 176.422 176.300 -0.087 0.000 1.123 219 D CA -0.109 53.843 54.000 -0.080 0.000 1.030 219 D CB 0.310 41.081 40.800 -0.048 0.000 1.093 219 D HN 0.537 nan 8.370 nan 0.000 0.497 220 A N 3.634 126.350 122.820 -0.174 0.000 2.404 220 A HA 0.435 4.767 4.320 0.019 0.000 0.273 220 A C -2.230 175.259 177.584 -0.158 0.000 1.144 220 A CA -1.234 50.647 52.037 -0.261 0.000 0.806 220 A CB 0.235 18.761 19.000 -0.790 0.000 1.080 220 A HN 0.323 nan 8.150 nan 0.000 0.509 221 P HA 0.193 nan 4.420 nan 0.000 0.267 221 P C -0.205 177.212 177.300 0.195 0.000 1.205 221 P CA 0.322 63.403 63.100 -0.033 0.000 0.765 221 P CB -0.214 31.416 31.700 -0.117 0.000 0.828 222 F N -1.417 118.531 119.950 -0.003 0.000 3.091 222 F HA -0.232 4.307 4.527 0.019 0.000 0.288 222 F C 0.894 176.858 175.800 0.273 0.000 0.907 222 F CA 0.090 58.140 58.000 0.083 0.000 1.028 222 F CB -1.967 37.005 39.000 -0.047 0.000 1.022 222 F HN 0.261 nan 8.300 nan 0.000 0.665 223 M N 0.128 119.891 119.600 0.272 0.000 2.245 223 M HA 0.157 4.648 4.480 0.019 0.000 0.335 223 M C 0.441 177.054 176.300 0.521 0.000 1.155 223 M CA 0.753 56.230 55.300 0.294 0.000 1.055 223 M CB 0.214 32.842 32.600 0.047 0.000 1.670 223 M HN 0.229 nan 8.290 nan 0.000 0.447 224 F N 2.164 122.358 119.950 0.407 0.000 2.347 224 F HA 0.379 4.917 4.527 0.019 0.000 0.266 224 F C 0.201 176.325 175.800 0.541 0.000 0.884 224 F CA 1.118 59.379 58.000 0.436 0.000 1.123 224 F CB 0.174 39.462 39.000 0.481 0.000 1.098 224 F HN 0.748 nan 8.300 nan 0.000 0.803 225 E N -1.252 119.260 120.200 0.521 0.000 2.281 225 E HA 0.232 4.594 4.350 0.019 0.000 0.255 225 E C -1.212 175.574 176.600 0.311 0.000 1.229 225 E CA -0.159 56.498 56.400 0.427 0.000 0.908 225 E CB 0.872 30.765 29.700 0.323 0.000 1.670 225 E HN -0.112 nan 8.360 nan 0.000 0.480 226 D N -0.003 120.475 120.400 0.130 0.000 2.716 226 D HA -0.135 4.517 4.640 0.019 0.000 0.239 226 D C -1.126 175.162 176.300 -0.020 0.000 1.125 226 D CA 1.086 55.019 54.000 -0.111 0.000 0.681 226 D CB -1.341 39.381 40.800 -0.130 0.000 1.070 226 D HN 0.535 nan 8.370 nan 0.000 0.432 227 S N 0.118 115.872 115.700 0.089 0.000 2.558 227 S HA 0.489 4.970 4.470 0.019 0.000 0.293 227 S C 0.716 175.262 174.600 -0.089 0.000 1.292 227 S CA 0.482 58.726 58.200 0.073 0.000 1.063 227 S CB 1.296 64.701 63.200 0.342 0.000 0.831 227 S HN 0.636 nan 8.310 nan 0.000 0.499 228 G N 1.628 110.289 108.800 -0.231 0.000 2.659 228 G HA2 0.611 4.582 3.960 0.019 0.000 0.296 228 G HA3 0.611 4.582 3.960 0.019 0.000 0.296 228 G C -1.859 172.936 174.900 -0.175 0.000 1.369 228 G CA -0.413 44.587 45.100 -0.167 0.000 0.937 228 G HN 0.551 nan 8.290 nan 0.000 0.485 229 L N 2.728 123.907 121.223 -0.073 0.000 2.438 229 L HA 0.616 4.967 4.340 0.019 0.000 0.270 229 L C -1.062 175.865 176.870 0.094 0.000 0.972 229 L CA -0.694 54.059 54.840 -0.144 0.000 0.831 229 L CB 1.656 43.406 42.059 -0.513 0.000 1.273 229 L HN 0.920 nan 8.230 nan 0.000 0.405 230 H N 2.702 121.782 119.070 0.016 0.000 2.946 230 H HA 0.537 5.106 4.556 0.021 0.000 0.365 230 H C -1.779 173.594 175.328 0.076 0.000 1.197 230 H CA -0.962 55.155 56.048 0.115 0.000 1.131 230 H CB 2.784 32.677 29.762 0.220 0.000 1.849 230 H HN 0.545 nan 8.280 nan 0.000 0.555 231 K N 1.656 122.181 120.400 0.207 0.000 2.413 231 K HA 0.307 4.638 4.320 0.019 0.000 0.257 231 K C -2.173 174.531 176.600 0.173 0.000 0.946 231 K CA -0.779 55.546 56.287 0.064 0.000 0.823 231 K CB 1.550 34.125 32.500 0.125 0.000 1.109 231 K HN 0.578 nan 8.250 nan 0.000 0.427 232 Y N 4.583 124.788 120.300 -0.157 0.000 2.346 232 Y HA 0.218 4.780 4.550 0.019 0.000 0.332 232 Y C -0.247 175.575 175.900 -0.130 0.000 0.985 232 Y CA -0.647 57.279 58.100 -0.291 0.000 1.112 232 Y CB 1.202 39.026 38.460 -1.059 0.000 1.170 232 Y HN 0.911 nan 8.280 nan 0.000 0.447 233 N N 4.309 122.578 118.700 -0.720 0.000 2.714 233 N HA -0.202 4.550 4.740 0.019 0.000 0.252 233 N C 0.787 176.160 175.510 -0.228 0.000 1.014 233 N CA 1.988 54.725 53.050 -0.521 0.000 0.735 233 N CB -1.120 36.948 38.487 -0.699 0.000 0.924 233 N HN 1.606 nan 8.380 nan 0.000 0.540 234 G N -2.361 106.330 108.800 -0.182 0.000 2.184 234 G HA2 -0.285 3.687 3.960 0.019 0.000 0.264 234 G HA3 -0.285 3.687 3.960 0.019 0.000 0.264 234 G C 0.258 175.020 174.900 -0.228 0.000 0.975 234 G CA 0.748 45.747 45.100 -0.168 0.000 0.642 234 G HN 0.723 nan 8.290 nan 0.000 0.536 235 T N 0.348 114.797 114.554 -0.174 0.000 2.823 235 T HA 0.582 4.943 4.350 0.019 0.000 0.279 235 T C -0.589 174.021 174.700 -0.149 0.000 0.998 235 T CA -0.314 61.711 62.100 -0.125 0.000 0.994 235 T CB 1.138 69.993 68.868 -0.022 0.000 0.960 235 T HN 0.201 nan 8.240 nan 0.000 0.448 236 Y N 1.684 121.981 120.300 -0.004 0.000 2.327 236 Y HA 0.381 4.945 4.550 0.023 0.000 0.336 236 Y C -0.240 175.711 175.900 0.085 0.000 1.035 236 Y CA -0.724 57.398 58.100 0.038 0.000 1.165 236 Y CB 0.523 38.993 38.460 0.015 0.000 1.181 236 Y HN 0.596 nan 8.280 nan 0.000 0.494 237 Y N 3.281 123.581 120.300 -0.001 0.000 2.402 237 Y HA 0.201 4.762 4.550 0.018 0.000 0.332 237 Y C -0.675 175.274 175.900 0.082 0.000 0.960 237 Y CA -1.096 57.012 58.100 0.013 0.000 1.228 237 Y CB 0.636 38.806 38.460 -0.483 0.000 1.120 237 Y HN 0.561 nan 8.280 nan 0.000 0.491 238 Y N 4.391 124.756 120.300 0.109 0.000 2.350 238 Y HA 0.430 4.992 4.550 0.020 0.000 0.340 238 Y C -0.029 175.989 175.900 0.197 0.000 1.006 238 Y CA -0.794 57.217 58.100 -0.148 0.000 1.166 238 Y CB 0.549 38.523 38.460 -0.810 0.000 1.168 238 Y HN 0.564 nan 8.280 nan 0.000 0.502 239 S N 6.130 121.638 115.700 -0.319 0.000 2.607 239 S HA 0.849 5.331 4.470 0.019 0.000 0.303 239 S C -1.355 173.130 174.600 -0.193 0.000 1.086 239 S CA -0.591 57.588 58.200 -0.035 0.000 0.995 239 S CB 1.995 65.414 63.200 0.365 0.000 1.084 239 S HN 0.812 nan 8.310 nan 0.000 0.507 240 Y N -2.443 117.762 120.300 -0.159 0.000 2.713 240 Y HA 0.671 5.233 4.550 0.019 0.000 0.335 240 Y C -0.959 174.947 175.900 0.010 0.000 1.222 240 Y CA -1.616 56.452 58.100 -0.054 0.000 1.061 240 Y CB 0.362 38.824 38.460 0.003 0.000 1.314 240 Y HN 0.870 nan 8.280 nan 0.000 0.453 241 C N 3.474 122.882 119.300 0.179 0.000 2.415 241 C HA 0.638 5.110 4.460 0.019 0.000 0.369 241 C C 0.350 175.495 174.990 0.258 0.000 1.279 241 C CA -0.555 58.523 59.018 0.101 0.000 1.886 241 C CB -1.511 26.384 27.740 0.258 0.000 2.468 241 C HN 0.669 nan 8.230 nan 0.000 0.553 242 I N 6.733 127.303 120.570 -0.000 0.000 2.588 242 I HA 0.136 4.317 4.170 0.019 0.000 0.283 242 I C 0.765 176.879 176.117 -0.005 0.000 1.119 242 I CA 0.152 61.526 61.300 0.122 0.000 1.419 242 I CB 0.608 38.577 38.000 -0.052 0.000 1.394 242 I HN 0.821 nan 8.210 nan 0.000 0.562 243 N N 4.793 123.607 118.700 0.191 0.000 2.263 243 N HA 0.060 4.811 4.740 0.019 0.000 0.239 243 N C -0.127 175.124 175.510 -0.431 0.000 1.317 243 N CA 0.268 53.235 53.050 -0.138 0.000 0.909 243 N CB 0.263 38.885 38.487 0.225 0.000 1.171 243 N HN 0.446 nan 8.380 nan 0.000 0.492 244 F N -2.762 116.959 119.950 -0.382 0.000 2.682 244 F HA 0.464 5.003 4.527 0.019 0.000 0.308 244 F C 1.344 176.807 175.800 -0.563 0.000 1.093 244 F CA -0.224 57.511 58.000 -0.441 0.000 1.244 244 F CB 0.427 39.220 39.000 -0.346 0.000 1.052 244 F HN 0.622 nan 8.300 nan 0.000 0.573 245 G N -0.600 107.791 108.800 -0.682 0.000 2.537 245 G HA2 0.541 4.512 3.960 0.019 0.000 0.323 245 G HA3 0.541 4.512 3.960 0.019 0.000 0.323 245 G C 0.060 174.162 174.900 -1.329 0.000 1.207 245 G CA -0.218 43.922 45.100 -1.601 0.000 0.976 245 G HN 0.443 nan 8.290 nan 0.000 0.487 246 G N -0.843 107.213 108.800 -1.240 0.000 2.855 246 G HA2 0.249 4.221 3.960 0.019 0.000 0.352 246 G HA3 0.249 4.221 3.960 0.019 0.000 0.352 246 G C 0.270 175.126 174.900 -0.073 0.000 1.415 246 G CA 0.176 45.003 45.100 -0.455 0.000 0.871 246 G HN 1.934 nan 8.290 nan 0.000 0.543 247 T N -1.503 113.072 114.554 0.036 0.000 2.897 247 T HA 0.612 4.974 4.350 0.019 0.000 0.294 247 T C 0.150 174.874 174.700 0.040 0.000 1.004 247 T CA 0.001 62.127 62.100 0.045 0.000 1.106 247 T CB 1.162 70.044 68.868 0.024 0.000 0.949 247 T HN 0.725 nan 8.240 nan 0.000 0.520 248 H N 2.190 121.088 119.070 -0.287 0.000 2.622 248 H HA 0.452 5.020 4.556 0.019 0.000 0.363 248 H C -1.970 173.152 175.328 -0.342 0.000 1.151 248 H CA -1.765 53.945 56.048 -0.563 0.000 1.184 248 H CB 2.048 31.386 29.762 -0.707 0.000 1.643 248 H HN 0.621 nan 8.280 nan 0.000 0.531 249 P HA 0.131 nan 4.420 nan 0.000 0.276 249 P C 0.490 177.716 177.300 -0.123 0.000 1.261 249 P CA -0.369 62.660 63.100 -0.117 0.000 0.800 249 P CB 0.870 32.529 31.700 -0.068 0.000 1.066 250 A N 1.245 124.025 122.820 -0.066 0.000 1.948 250 A HA -0.206 4.126 4.320 0.019 0.000 0.220 250 A C 1.600 179.170 177.584 -0.024 0.000 1.177 250 A CA 2.124 54.131 52.037 -0.050 0.000 0.636 250 A CB -1.230 17.764 19.000 -0.009 0.000 0.815 250 A HN 0.731 nan 8.150 nan 0.000 0.449 251 D N -1.205 119.213 120.400 0.030 0.000 2.355 251 D HA 0.031 4.683 4.640 0.019 0.000 0.218 251 D C 0.076 176.465 176.300 0.149 0.000 1.004 251 D CA 0.565 54.671 54.000 0.176 0.000 0.880 251 D CB -0.063 40.873 40.800 0.227 0.000 0.911 251 D HN 0.278 nan 8.370 nan 0.000 0.528 252 K N 1.600 121.934 120.400 -0.109 0.000 2.877 252 K HA 0.306 4.637 4.320 0.019 0.000 0.176 252 K C -2.648 173.783 176.600 -0.282 0.000 1.075 252 K CA -1.646 54.521 56.287 -0.201 0.000 0.939 252 K CB 1.844 34.147 32.500 -0.328 0.000 1.237 252 K HN 0.060 nan 8.250 nan 0.000 0.607 253 P HA 0.084 nan 4.420 nan 0.000 0.271 253 P C -2.527 174.484 177.300 -0.481 0.000 1.216 253 P CA -1.402 61.434 63.100 -0.440 0.000 0.771 253 P CB 0.154 31.545 31.700 -0.515 0.000 0.864 254 P HA -0.012 nan 4.420 nan 0.000 0.268 254 P C 0.953 177.805 177.300 -0.746 0.000 1.204 254 P CA 0.992 63.571 63.100 -0.869 0.000 0.768 254 P CB 0.011 31.128 31.700 -0.970 0.000 0.842 255 G N 1.785 109.974 108.800 -1.018 0.000 2.148 255 G HA2 -0.222 3.749 3.960 0.019 0.000 0.254 255 G HA3 -0.222 3.749 3.960 0.019 0.000 0.254 255 G C -0.055 174.611 174.900 -0.391 0.000 0.981 255 G CA -0.027 44.454 45.100 -1.032 0.000 0.670 255 G HN 0.615 nan 8.290 nan 0.000 0.528 256 E N -0.489 119.489 120.200 -0.371 0.000 2.232 256 E HA 0.569 4.930 4.350 0.019 0.000 0.264 256 E C 0.065 176.458 176.600 -0.345 0.000 0.973 256 E CA -1.215 55.006 56.400 -0.298 0.000 0.849 256 E CB 1.212 30.727 29.700 -0.308 0.000 1.198 256 E HN 0.048 nan 8.360 nan 0.000 0.407 257 I N 2.235 122.535 120.570 -0.451 0.000 2.322 257 I HA 0.181 4.362 4.170 0.019 0.000 0.292 257 I C 0.748 176.444 176.117 -0.701 0.000 1.060 257 I CA 0.222 61.095 61.300 -0.712 0.000 1.309 257 I CB -0.128 37.184 38.000 -1.146 0.000 1.415 257 I HN 0.489 nan 8.210 nan 0.000 0.492 258 G N 6.581 114.976 108.800 -0.675 0.000 2.502 258 G HA2 0.569 4.541 3.960 0.019 0.000 0.305 258 G HA3 0.569 4.541 3.960 0.019 0.000 0.305 258 G C -1.202 173.535 174.900 -0.271 0.000 1.190 258 G CA -0.304 44.545 45.100 -0.418 0.000 0.933 258 G HN 0.612 nan 8.290 nan 0.000 0.503 259 Y N -2.101 118.089 120.300 -0.184 0.000 2.597 259 Y HA 0.778 5.338 4.550 0.017 0.000 0.340 259 Y C -0.818 175.101 175.900 0.033 0.000 1.097 259 Y CA -1.638 56.500 58.100 0.063 0.000 1.037 259 Y CB 1.555 40.180 38.460 0.276 0.000 1.305 259 Y HN 0.501 nan 8.280 nan 0.000 0.463 260 M N 2.543 122.291 119.600 0.246 0.000 2.572 260 M HA 0.635 5.126 4.480 0.019 0.000 0.299 260 M C -1.143 175.330 176.300 0.289 0.000 1.205 260 M CA -0.855 54.566 55.300 0.202 0.000 0.876 260 M CB 2.992 35.823 32.600 0.384 0.000 1.728 260 M HN 0.857 nan 8.290 nan 0.000 0.458 261 T N -1.764 112.890 114.554 0.166 0.000 2.908 261 T HA 0.810 5.171 4.350 0.019 0.000 0.290 261 T C -0.663 174.043 174.700 0.009 0.000 1.034 261 T CA -0.830 61.271 62.100 0.001 0.000 1.010 261 T CB 2.008 70.683 68.868 -0.322 0.000 1.068 261 T HN 0.679 nan 8.240 nan 0.000 0.481 262 S N -0.259 115.346 115.700 -0.158 0.000 2.579 262 S HA 0.507 4.989 4.470 0.019 0.000 0.272 262 S C 0.934 175.473 174.600 -0.102 0.000 1.141 262 S CA -0.115 57.869 58.200 -0.361 0.000 0.843 262 S CB 1.555 64.094 63.200 -1.101 0.000 1.122 262 S HN 1.110 nan 8.310 nan 0.000 0.468 263 S N 1.484 117.134 115.700 -0.083 0.000 2.561 263 S HA 0.271 4.752 4.470 0.019 0.000 0.225 263 S C 0.408 175.092 174.600 0.140 0.000 0.977 263 S CA -0.028 58.205 58.200 0.056 0.000 0.926 263 S CB -0.199 63.001 63.200 -0.001 0.000 0.769 263 S HN 0.481 nan 8.310 nan 0.000 0.533 264 S N 2.271 117.892 115.700 -0.131 0.000 2.548 264 S HA 0.517 4.998 4.470 0.019 0.000 0.286 264 S C -2.293 171.783 174.600 -0.874 0.000 1.098 264 S CA -1.320 56.638 58.200 -0.403 0.000 0.930 264 S CB 2.246 65.277 63.200 -0.281 0.000 1.070 264 S HN 0.049 nan 8.310 nan 0.000 0.480 265 P HA -0.011 nan 4.420 nan 0.000 0.222 265 P C 0.545 177.618 177.300 -0.379 0.000 1.147 265 P CA 1.199 63.666 63.100 -1.056 0.000 0.790 265 P CB 0.023 30.870 31.700 -1.423 0.000 0.780 266 M N -1.218 118.161 119.600 -0.368 0.000 2.419 266 M HA 0.316 4.807 4.480 0.019 0.000 0.252 266 M C 0.735 176.988 176.300 -0.078 0.000 1.143 266 M CA 0.167 55.404 55.300 -0.105 0.000 0.985 266 M CB 0.299 32.853 32.600 -0.077 0.000 1.489 266 M HN -0.044 nan 8.290 nan 0.000 0.484 267 G N 1.821 110.383 108.800 -0.397 0.000 2.631 267 G HA2 -0.111 3.861 3.960 0.019 0.000 0.504 267 G HA3 -0.111 3.861 3.960 0.019 0.000 0.504 267 G C -3.099 171.609 174.900 -0.321 0.000 1.306 267 G CA -1.279 43.501 45.100 -0.534 0.000 0.897 267 G HN 0.175 nan 8.290 nan 0.000 0.520 268 P HA 0.606 nan 4.420 nan 0.000 0.279 268 P C -0.739 176.406 177.300 -0.259 0.000 1.239 268 P CA -0.176 62.830 63.100 -0.158 0.000 0.789 268 P CB 0.494 32.151 31.700 -0.072 0.000 0.933 269 F N 0.511 120.448 119.950 -0.021 0.000 2.385 269 F HA 0.353 4.892 4.527 0.020 0.000 0.336 269 F C 1.136 176.952 175.800 0.026 0.000 1.100 269 F CA 0.229 58.234 58.000 0.008 0.000 1.116 269 F CB 1.268 40.286 39.000 0.031 0.000 1.166 269 F HN 0.115 nan 8.300 nan 0.000 0.511 270 T N 2.591 117.270 114.554 0.208 0.000 2.792 270 T HA 0.181 4.543 4.350 0.019 0.000 0.280 270 T C -1.074 173.722 174.700 0.161 0.000 0.990 270 T CA -0.480 61.708 62.100 0.147 0.000 0.960 270 T CB 0.495 69.398 68.868 0.059 0.000 0.939 270 T HN 0.357 nan 8.240 nan 0.000 0.439 271 Y N 3.611 123.954 120.300 0.070 0.000 2.620 271 Y HA 0.096 4.657 4.550 0.018 0.000 0.330 271 Y C 1.339 177.190 175.900 -0.082 0.000 1.186 271 Y CA 0.139 58.259 58.100 0.033 0.000 1.467 271 Y CB 0.514 39.020 38.460 0.077 0.000 1.262 271 Y HN 0.515 nan 8.280 nan 0.000 0.550 272 R N 3.393 123.347 120.500 -0.911 0.000 2.342 272 R HA 0.386 4.737 4.340 0.019 0.000 0.204 272 R C 0.715 176.461 176.300 -0.924 0.000 0.882 272 R CA 0.599 56.217 56.100 -0.803 0.000 1.041 272 R CB 0.522 30.351 30.300 -0.784 0.000 1.188 272 R HN 0.986 nan 8.270 nan 0.000 0.598 273 G N 0.706 108.620 108.800 -1.477 0.000 2.288 273 G HA2 -0.026 3.946 3.960 0.019 0.000 0.227 273 G HA3 -0.026 3.946 3.960 0.019 0.000 0.227 273 G C -1.772 172.872 174.900 -0.427 0.000 1.339 273 G CA -0.387 44.343 45.100 -0.616 0.000 1.057 273 G HN 0.475 nan 8.290 nan 0.000 0.470 274 H N -2.379 116.736 119.070 0.076 0.000 3.087 274 H HA 0.655 5.222 4.556 0.019 0.000 0.348 274 H C -0.352 175.032 175.328 0.094 0.000 1.092 274 H CA -0.459 55.597 56.048 0.013 0.000 1.285 274 H CB 0.965 30.689 29.762 -0.064 0.000 1.875 274 H HN 1.312 nan 8.280 nan 0.000 0.512 275 F N 1.546 121.517 119.950 0.035 0.000 2.856 275 F HA 0.479 5.016 4.527 0.018 0.000 0.338 275 F C -1.393 174.351 175.800 -0.093 0.000 1.100 275 F CA -0.645 57.296 58.000 -0.098 0.000 1.150 275 F CB 0.699 39.544 39.000 -0.259 0.000 1.101 275 F HN 0.430 nan 8.300 nan 0.000 0.548 276 L N 2.460 123.535 121.223 -0.246 0.000 2.491 276 L HA 0.503 4.855 4.340 0.019 0.000 0.267 276 L C -0.456 176.366 176.870 -0.080 0.000 0.971 276 L CA -0.910 53.855 54.840 -0.126 0.000 0.857 276 L CB 1.595 43.498 42.059 -0.259 0.000 1.226 276 L HN 0.052 nan 8.230 nan 0.000 0.408 277 K N 2.548 122.994 120.400 0.078 0.000 2.234 277 K HA 0.121 4.452 4.320 0.019 0.000 0.251 277 K C 0.302 176.904 176.600 0.004 0.000 1.011 277 K CA -0.339 55.912 56.287 -0.059 0.000 0.889 277 K CB 0.300 32.605 32.500 -0.325 0.000 1.011 277 K HN 0.642 nan 8.250 nan 0.000 0.505 278 N N 1.980 120.636 118.700 -0.073 0.000 2.412 278 N HA -0.042 4.709 4.740 0.019 0.000 0.254 278 N C -1.667 173.928 175.510 0.141 0.000 1.232 278 N CA -1.102 51.974 53.050 0.043 0.000 0.880 278 N CB 0.750 39.266 38.487 0.047 0.000 1.076 278 N HN 0.285 nan 8.380 nan 0.000 0.458 279 P HA -0.122 nan 4.420 nan 0.000 0.217 279 P C 1.142 178.654 177.300 0.354 0.000 1.148 279 P CA 1.152 64.525 63.100 0.455 0.000 0.828 279 P CB -0.090 31.890 31.700 0.466 0.000 0.783 280 G N 0.529 109.455 108.800 0.209 0.000 2.462 280 G HA2 -0.220 3.751 3.960 0.019 0.000 0.220 280 G HA3 -0.220 3.751 3.960 0.019 0.000 0.220 280 G C 1.771 176.673 174.900 0.003 0.000 1.121 280 G CA 0.874 46.052 45.100 0.130 0.000 0.758 280 G HN 0.380 nan 8.290 nan 0.000 0.559 281 A N 0.045 122.777 122.820 -0.146 0.000 1.969 281 A HA 0.224 4.556 4.320 0.019 0.000 0.218 281 A C 2.031 179.323 177.584 -0.486 0.000 1.169 281 A CA 1.180 52.990 52.037 -0.378 0.000 0.635 281 A CB -0.325 18.305 19.000 -0.618 0.000 0.810 281 A HN 0.325 nan 8.150 nan 0.000 0.445 282 F N -2.751 117.014 119.950 -0.308 0.000 2.437 282 F HA 0.236 4.774 4.527 0.019 0.000 0.288 282 F C 1.258 176.680 175.800 -0.630 0.000 1.085 282 F CA 0.502 58.113 58.000 -0.648 0.000 1.430 282 F CB 0.001 38.232 39.000 -1.281 0.000 1.120 282 F HN 0.165 nan 8.300 nan 0.000 0.556 283 F N -0.143 119.952 119.950 0.242 0.000 2.706 283 F HA 0.553 5.091 4.527 0.019 0.000 0.313 283 F C 0.916 176.828 175.800 0.186 0.000 1.096 283 F CA -0.280 57.847 58.000 0.212 0.000 1.219 283 F CB 0.086 39.184 39.000 0.163 0.000 1.051 283 F HN -0.028 nan 8.300 nan 0.000 0.568 284 G N -0.078 108.860 108.800 0.231 0.000 2.675 284 G HA2 0.413 4.385 3.960 0.019 0.000 0.686 284 G HA3 0.413 4.385 3.960 0.019 0.000 0.686 284 G C 0.344 175.334 174.900 0.150 0.000 1.215 284 G CA -0.655 44.543 45.100 0.163 0.000 0.777 284 G HN 1.119 nan 8.290 nan 0.000 0.638 285 G N 0.002 108.860 108.800 0.097 0.000 2.536 285 G HA2 0.490 4.461 3.960 0.019 0.000 0.280 285 G HA3 0.490 4.461 3.960 0.019 0.000 0.280 285 G C 1.430 176.373 174.900 0.073 0.000 1.152 285 G CA 1.501 46.648 45.100 0.078 0.000 0.970 285 G HN 3.180 nan 8.290 nan 0.000 0.549 286 G N -2.255 106.595 108.800 0.083 0.000 2.355 286 G HA2 0.805 4.776 3.960 0.019 0.000 0.296 286 G HA3 0.805 4.776 3.960 0.019 0.000 0.296 286 G C -0.114 174.834 174.900 0.081 0.000 1.507 286 G CA 1.099 46.255 45.100 0.093 0.000 0.823 286 G HN 2.583 nan 8.290 nan 0.000 0.569 287 G N -0.512 108.362 108.800 0.124 0.000 2.428 287 G HA2 0.630 4.602 3.960 0.019 0.000 0.305 287 G HA3 0.630 4.602 3.960 0.019 0.000 0.305 287 G C -0.832 174.209 174.900 0.234 0.000 1.260 287 G CA 0.019 45.179 45.100 0.099 0.000 0.853 287 G HN 1.527 nan 8.290 nan 0.000 0.480 288 N N 0.054 118.919 118.700 0.275 0.000 2.424 288 N HA 0.459 5.211 4.740 0.019 0.000 0.257 288 N C -0.521 175.310 175.510 0.536 0.000 1.250 288 N CA -0.440 52.890 53.050 0.467 0.000 0.946 288 N CB 0.901 39.652 38.487 0.441 0.000 1.175 288 N HN 0.448 nan 8.380 nan 0.000 0.477 289 N N -0.686 118.293 118.700 0.464 0.000 2.354 289 N HA 0.284 5.035 4.740 0.019 0.000 0.287 289 N C -2.038 173.569 175.510 0.161 0.000 1.016 289 N CA -0.430 52.784 53.050 0.272 0.000 0.871 289 N CB 0.589 39.190 38.487 0.190 0.000 1.299 289 N HN 0.793 nan 8.380 nan 0.000 0.482 290 H N 1.494 120.418 119.070 -0.243 0.000 2.865 290 H HA 0.457 5.024 4.556 0.019 0.000 0.362 290 H C -0.855 174.450 175.328 -0.039 0.000 1.114 290 H CA -0.498 55.438 56.048 -0.186 0.000 1.208 290 H CB 0.971 30.496 29.762 -0.395 0.000 1.727 290 H HN 0.693 nan 8.280 nan 0.000 0.534 291 H N 2.116 121.101 119.070 -0.142 0.000 2.990 291 H HA 0.802 5.370 4.556 0.019 0.000 0.336 291 H C -1.991 173.399 175.328 0.104 0.000 1.306 291 H CA -0.763 55.330 56.048 0.074 0.000 1.118 291 H CB 1.138 30.958 29.762 0.096 0.000 1.856 291 H HN 0.714 nan 8.280 nan 0.000 0.538 292 A N 1.331 124.164 122.820 0.021 0.000 2.517 292 A HA 0.521 4.852 4.320 0.019 0.000 0.297 292 A C -1.360 176.448 177.584 0.374 0.000 1.050 292 A CA -0.490 51.572 52.037 0.042 0.000 0.694 292 A CB 1.603 20.685 19.000 0.136 0.000 1.277 292 A HN 0.416 nan 8.150 nan 0.000 0.400 293 V N 2.621 122.729 119.914 0.323 0.000 2.481 293 V HA 0.770 4.901 4.120 0.019 0.000 0.286 293 V C -0.364 176.005 176.094 0.459 0.000 1.042 293 V CA -0.062 62.375 62.300 0.227 0.000 0.928 293 V CB 0.490 32.143 31.823 -0.283 0.000 0.986 293 V HN 1.009 nan 8.190 nan 0.000 0.462 294 F N 1.704 121.861 119.950 0.344 0.000 2.668 294 F HA 0.597 5.135 4.527 0.018 0.000 0.309 294 F C -0.948 174.953 175.800 0.168 0.000 1.117 294 F CA -1.071 57.128 58.000 0.333 0.000 0.951 294 F CB 1.928 41.101 39.000 0.288 0.000 1.323 294 F HN 0.362 nan 8.300 nan 0.000 0.451 295 N N 1.862 120.521 118.700 -0.068 0.000 2.407 295 N HA 0.376 5.128 4.740 0.019 0.000 0.277 295 N C -2.290 173.302 175.510 0.136 0.000 0.995 295 N CA -0.189 52.551 53.050 -0.517 0.000 0.903 295 N CB 1.596 39.281 38.487 -1.337 0.000 1.218 295 N HN 0.696 nan 8.380 nan 0.000 0.487 296 F N 3.814 123.845 119.950 0.134 0.000 2.518 296 F HA 0.380 4.918 4.527 0.018 0.000 0.323 296 F C 0.386 176.287 175.800 0.169 0.000 1.129 296 F CA -0.749 57.416 58.000 0.275 0.000 0.920 296 F CB 0.826 40.122 39.000 0.494 0.000 1.160 296 F HN 0.538 nan 8.300 nan 0.000 0.440 297 K N 5.759 125.814 120.400 -0.574 0.000 3.156 297 K HA -0.303 4.029 4.320 0.019 0.000 0.266 297 K C 0.049 176.495 176.600 -0.256 0.000 0.966 297 K CA 1.011 56.976 56.287 -0.538 0.000 0.719 297 K CB -1.215 30.781 32.500 -0.840 0.000 1.333 297 K HN 0.882 nan 8.250 nan 0.000 0.468 298 N N -1.423 117.155 118.700 -0.203 0.000 2.878 298 N HA -0.179 4.572 4.740 0.019 0.000 0.247 298 N C -0.191 175.184 175.510 -0.224 0.000 1.021 298 N CA 1.808 54.744 53.050 -0.190 0.000 0.873 298 N CB -0.545 37.865 38.487 -0.128 0.000 1.128 298 N HN 0.674 nan 8.380 nan 0.000 0.571 299 E N -0.567 119.474 120.200 -0.264 0.000 2.256 299 E HA 0.502 4.863 4.350 0.019 0.000 0.267 299 E C -1.188 175.019 176.600 -0.655 0.000 0.892 299 E CA -0.569 55.594 56.400 -0.396 0.000 0.775 299 E CB 0.753 30.216 29.700 -0.394 0.000 1.207 299 E HN 0.160 nan 8.360 nan 0.000 0.420 300 W N 3.544 124.539 121.300 -0.509 0.000 2.316 300 W HA 0.429 5.099 4.660 0.016 0.000 0.311 300 W C -0.593 175.397 176.519 -0.882 0.000 1.217 300 W CA -0.042 56.990 57.345 -0.523 0.000 1.199 300 W CB 0.617 29.890 29.460 -0.313 0.000 1.202 300 W HN 0.427 nan 8.180 nan 0.000 0.528 301 Y N 1.208 121.329 120.300 -0.298 0.000 2.638 301 Y HA 0.630 5.192 4.550 0.018 0.000 0.339 301 Y C -0.603 175.069 175.900 -0.380 0.000 1.084 301 Y CA -1.575 56.270 58.100 -0.425 0.000 1.068 301 Y CB 1.456 39.473 38.460 -0.740 0.000 1.294 301 Y HN 0.071 nan 8.280 nan 0.000 0.480 302 V N 2.242 122.226 119.914 0.117 0.000 2.531 302 V HA 0.674 4.806 4.120 0.019 0.000 0.301 302 V C -1.502 174.908 176.094 0.526 0.000 1.034 302 V CA -0.763 61.718 62.300 0.302 0.000 0.865 302 V CB 1.669 33.662 31.823 0.284 0.000 0.995 302 V HN 0.626 nan 8.190 nan 0.000 0.424 303 V N 8.805 129.095 119.914 0.628 0.000 2.539 303 V HA 0.779 4.910 4.120 0.019 0.000 0.292 303 V C -0.684 175.652 176.094 0.404 0.000 1.045 303 V CA 0.135 62.700 62.300 0.441 0.000 0.945 303 V CB 1.408 33.426 31.823 0.326 0.000 0.993 303 V HN 1.074 nan 8.190 nan 0.000 0.464 304 Y N 3.940 124.352 120.300 0.186 0.000 2.725 304 Y HA 0.677 5.239 4.550 0.018 0.000 0.333 304 Y C -0.666 175.293 175.900 0.098 0.000 1.242 304 Y CA -1.239 56.932 58.100 0.119 0.000 1.059 304 Y CB 1.145 39.681 38.460 0.127 0.000 1.306 304 Y HN 0.812 nan 8.280 nan 0.000 0.454 305 H N 0.987 120.157 119.070 0.166 0.000 2.710 305 H HA 1.015 5.583 4.556 0.020 0.000 0.361 305 H C -1.494 173.840 175.328 0.010 0.000 1.175 305 H CA -1.058 54.979 56.048 -0.018 0.000 1.206 305 H CB 2.213 31.978 29.762 0.004 0.000 1.750 305 H HN 1.124 nan 8.280 nan 0.000 0.553 306 A N 1.170 124.005 122.820 0.026 0.000 2.610 306 A HA 0.212 4.544 4.320 0.019 0.000 0.291 306 A C -0.923 176.633 177.584 -0.047 0.000 1.086 306 A CA -0.931 51.081 52.037 -0.041 0.000 0.677 306 A CB 1.887 20.606 19.000 -0.468 0.000 1.278 306 A HN 0.798 nan 8.150 nan 0.000 0.414 307 Q N 1.021 120.847 119.800 0.042 0.000 2.579 307 Q HA 0.140 4.492 4.340 0.019 0.000 0.344 307 Q C 0.851 176.930 176.000 0.131 0.000 0.997 307 Q CA 0.411 56.266 55.803 0.087 0.000 0.991 307 Q CB -0.102 28.702 28.738 0.110 0.000 1.279 307 Q HN 0.887 nan 8.270 nan 0.000 0.420 308 T N -4.682 109.928 114.554 0.094 0.000 3.035 308 T HA 0.001 4.363 4.350 0.019 0.000 0.259 308 T C 1.674 176.484 174.700 0.184 0.000 1.078 308 T CA 0.334 62.532 62.100 0.163 0.000 1.132 308 T CB 0.111 69.075 68.868 0.159 0.000 0.900 308 T HN 0.136 nan 8.240 nan 0.000 0.480 309 V N 2.599 122.608 119.914 0.159 0.000 2.426 309 V HA -0.085 4.047 4.120 0.019 0.000 0.242 309 V C 3.150 179.385 176.094 0.235 0.000 1.036 309 V CA 1.668 64.064 62.300 0.160 0.000 1.044 309 V CB -0.645 31.252 31.823 0.123 0.000 0.688 309 V HN 0.692 nan 8.190 nan 0.000 0.462 310 S N 0.209 116.100 115.700 0.319 0.000 2.370 310 S HA -0.242 4.239 4.470 0.019 0.000 0.226 310 S C 2.083 176.904 174.600 0.368 0.000 1.033 310 S CA 1.925 60.403 58.200 0.463 0.000 1.011 310 S CB -0.781 62.733 63.200 0.523 0.000 0.852 310 S HN 0.465 nan 8.310 nan 0.000 0.457 311 S N 2.486 118.348 115.700 0.270 0.000 2.359 311 S HA 0.011 4.493 4.470 0.019 0.000 0.224 311 S C 2.357 177.066 174.600 0.182 0.000 1.035 311 S CA 1.174 59.509 58.200 0.225 0.000 1.018 311 S CB -0.925 62.404 63.200 0.215 0.000 0.876 311 S HN 0.801 nan 8.310 nan 0.000 0.448 312 A N 0.953 123.870 122.820 0.162 0.000 1.933 312 A HA 0.011 4.342 4.320 0.019 0.000 0.218 312 A C 2.089 179.694 177.584 0.035 0.000 1.175 312 A CA 1.118 53.220 52.037 0.109 0.000 0.628 312 A CB -0.552 18.514 19.000 0.109 0.000 0.814 312 A HN 0.465 nan 8.150 nan 0.000 0.444 313 L N -2.916 118.303 121.223 -0.006 0.000 2.127 313 L HA 0.034 4.385 4.340 0.019 0.000 0.203 313 L C 1.888 178.492 176.870 -0.443 0.000 1.080 313 L CA 0.968 55.645 54.840 -0.272 0.000 0.768 313 L CB -0.190 41.610 42.059 -0.432 0.000 0.924 313 L HN 0.405 nan 8.230 nan 0.000 0.444 314 F N -1.165 118.774 119.950 -0.018 0.000 2.724 314 F HA 0.325 4.864 4.527 0.019 0.000 0.306 314 F C 1.704 177.512 175.800 0.014 0.000 1.100 314 F CA 0.450 58.434 58.000 -0.028 0.000 1.255 314 F CB 0.383 39.341 39.000 -0.070 0.000 1.072 314 F HN 0.075 nan 8.300 nan 0.000 0.589 315 G N 0.916 109.822 108.800 0.177 0.000 2.162 315 G HA2 -0.005 3.966 3.960 0.019 0.000 0.260 315 G HA3 -0.005 3.966 3.960 0.019 0.000 0.260 315 G C 0.056 175.045 174.900 0.147 0.000 0.976 315 G CA 0.090 45.273 45.100 0.138 0.000 0.655 315 G HN 0.838 nan 8.290 nan 0.000 0.533 316 A N -1.633 121.297 122.820 0.184 0.000 2.566 316 A HA 0.830 5.161 4.320 0.019 0.000 0.297 316 A C 1.025 178.716 177.584 0.178 0.000 1.059 316 A CA 0.529 52.655 52.037 0.148 0.000 0.691 316 A CB 0.644 19.707 19.000 0.104 0.000 1.282 316 A HN 1.536 nan 8.150 nan 0.000 0.401 317 G N 0.580 109.473 108.800 0.154 0.000 2.402 317 G HA2 0.087 4.058 3.960 0.019 0.000 0.216 317 G HA3 0.087 4.058 3.960 0.019 0.000 0.216 317 G C 0.636 175.636 174.900 0.168 0.000 1.162 317 G CA 0.891 46.095 45.100 0.173 0.000 0.777 317 G HN 1.070 nan 8.290 nan 0.000 0.539 318 K N -0.763 119.676 120.400 0.065 0.000 3.130 318 K HA -0.235 4.097 4.320 0.019 0.000 0.282 318 K C 1.315 177.746 176.600 -0.282 0.000 1.145 318 K CA 1.150 57.420 56.287 -0.030 0.000 0.831 318 K CB -2.119 30.434 32.500 0.089 0.000 1.226 318 K HN 1.472 nan 8.250 nan 0.000 0.478 319 G N -0.746 107.919 108.800 -0.225 0.000 2.143 319 G HA2 -0.342 3.630 3.960 0.019 0.000 0.249 319 G HA3 -0.342 3.630 3.960 0.019 0.000 0.249 319 G C -0.251 174.382 174.900 -0.445 0.000 0.981 319 G CA 0.507 45.399 45.100 -0.347 0.000 0.665 319 G HN 0.296 nan 8.290 nan 0.000 0.528 320 Y N 0.539 120.812 120.300 -0.045 0.000 2.328 320 Y HA 0.732 5.293 4.550 0.019 0.000 0.337 320 Y C 1.015 176.871 175.900 -0.074 0.000 1.008 320 Y CA -0.646 57.415 58.100 -0.065 0.000 1.129 320 Y CB 1.111 39.583 38.460 0.019 0.000 1.185 320 Y HN 0.206 nan 8.280 nan 0.000 0.476 321 R N 1.045 121.530 120.500 -0.024 0.000 2.854 321 R HA 0.831 5.182 4.340 0.019 0.000 0.271 321 R C -0.947 175.317 176.300 -0.059 0.000 0.996 321 R CA -0.956 55.065 56.100 -0.133 0.000 0.961 321 R CB 2.132 32.130 30.300 -0.502 0.000 1.182 321 R HN 0.522 nan 8.270 nan 0.000 0.479 322 S N 1.501 117.183 115.700 -0.030 0.000 2.549 322 S HA 0.548 5.029 4.470 0.019 0.000 0.280 322 S C -2.728 171.879 174.600 0.010 0.000 1.109 322 S CA -1.337 56.858 58.200 -0.009 0.000 0.905 322 S CB 2.361 65.573 63.200 0.020 0.000 1.081 322 S HN 0.419 nan 8.310 nan 0.000 0.477 323 P HA 0.361 nan 4.420 nan 0.000 0.284 323 P C -1.238 175.991 177.300 -0.118 0.000 1.253 323 P CA -0.171 62.857 63.100 -0.119 0.000 0.800 323 P CB 0.633 32.192 31.700 -0.235 0.000 0.961 324 H N 1.262 119.998 119.070 -0.556 0.000 2.821 324 H HA 0.567 5.134 4.556 0.019 0.000 0.373 324 H C -0.456 174.555 175.328 -0.529 0.000 1.165 324 H CA -0.918 54.747 56.048 -0.638 0.000 1.154 324 H CB 2.289 31.390 29.762 -1.102 0.000 1.765 324 H HN 0.281 nan 8.280 nan 0.000 0.549 325 I N 2.019 122.551 120.570 -0.062 0.000 2.582 325 I HA 0.214 4.395 4.170 0.019 0.000 0.292 325 I C -0.827 175.471 176.117 0.302 0.000 1.066 325 I CA -0.418 60.987 61.300 0.175 0.000 1.053 325 I CB 2.206 40.316 38.000 0.184 0.000 1.241 325 I HN 0.542 nan 8.210 nan 0.000 0.421 326 N N 3.856 122.812 118.700 0.426 0.000 2.455 326 N HA 0.399 5.151 4.740 0.019 0.000 0.278 326 N C -1.242 174.465 175.510 0.328 0.000 1.291 326 N CA -1.010 52.245 53.050 0.342 0.000 0.780 326 N CB 1.933 40.583 38.487 0.273 0.000 1.520 326 N HN 0.387 nan 8.380 nan 0.000 0.486 327 K N 0.836 121.382 120.400 0.243 0.000 2.319 327 K HA 0.263 4.595 4.320 0.019 0.000 0.265 327 K C -0.912 175.646 176.600 -0.070 0.000 1.000 327 K CA 0.011 56.333 56.287 0.059 0.000 0.943 327 K CB 0.643 33.139 32.500 -0.006 0.000 0.950 327 K HN 0.368 nan 8.250 nan 0.000 0.485 328 L N 2.054 123.152 121.223 -0.208 0.000 2.386 328 L HA 0.431 4.783 4.340 0.019 0.000 0.271 328 L C -1.447 175.182 176.870 -0.402 0.000 0.993 328 L CA -0.839 53.792 54.840 -0.347 0.000 0.819 328 L CB 1.882 43.645 42.059 -0.493 0.000 1.294 328 L HN 0.258 nan 8.230 nan 0.000 0.414 329 V N 3.265 122.899 119.914 -0.467 0.000 2.487 329 V HA 0.401 4.533 4.120 0.019 0.000 0.298 329 V C -0.855 174.877 176.094 -0.603 0.000 1.028 329 V CA -0.583 61.475 62.300 -0.403 0.000 0.860 329 V CB 1.489 33.179 31.823 -0.221 0.000 0.991 329 V HN 0.719 nan 8.190 nan 0.000 0.427 330 H N 3.044 121.778 119.070 -0.560 0.000 2.527 330 H HA 0.417 4.985 4.556 0.020 0.000 0.321 330 H C 0.297 175.428 175.328 -0.328 0.000 1.087 330 H CA -0.310 55.349 56.048 -0.648 0.000 1.337 330 H CB 0.668 29.641 29.762 -1.314 0.000 1.440 330 H HN 0.547 nan 8.280 nan 0.000 0.490 331 N N 0.881 119.517 118.700 -0.107 0.000 2.408 331 N HA 0.090 4.841 4.740 0.019 0.000 0.260 331 N C 1.078 176.613 175.510 0.042 0.000 1.242 331 N CA 0.187 53.221 53.050 -0.026 0.000 0.959 331 N CB 0.979 39.454 38.487 -0.021 0.000 1.201 331 N HN 0.758 nan 8.380 nan 0.000 0.511 332 A N 0.472 123.322 122.820 0.049 0.000 1.978 332 A HA -0.205 4.126 4.320 0.019 0.000 0.220 332 A C 1.175 178.809 177.584 0.083 0.000 1.170 332 A CA 1.954 54.034 52.037 0.071 0.000 0.636 332 A CB -0.435 18.593 19.000 0.048 0.000 0.810 332 A HN 0.780 nan 8.150 nan 0.000 0.448 333 D N -2.434 118.008 120.400 0.071 0.000 2.328 333 D HA 0.284 4.935 4.640 0.019 0.000 0.226 333 D C 1.163 177.532 176.300 0.115 0.000 1.066 333 D CA 0.909 54.955 54.000 0.076 0.000 0.861 333 D CB -0.550 40.282 40.800 0.053 0.000 0.912 333 D HN 0.764 nan 8.370 nan 0.000 0.521 334 G N 0.239 109.133 108.800 0.156 0.000 2.199 334 G HA2 -0.312 3.659 3.960 0.019 0.000 0.254 334 G HA3 -0.312 3.659 3.960 0.019 0.000 0.254 334 G C 0.511 175.569 174.900 0.265 0.000 0.982 334 G CA 0.510 45.761 45.100 0.251 0.000 0.632 334 G HN 0.834 nan 8.290 nan 0.000 0.529 335 S N -0.212 115.591 115.700 0.171 0.000 2.608 335 S HA 0.687 5.168 4.470 0.019 0.000 0.261 335 S C 0.302 174.894 174.600 -0.013 0.000 1.314 335 S CA -0.239 58.080 58.200 0.199 0.000 0.992 335 S CB 1.492 64.778 63.200 0.143 0.000 0.935 335 S HN 0.659 nan 8.310 nan 0.000 0.564 336 I N 1.217 121.717 120.570 -0.116 0.000 2.441 336 I HA 0.282 4.463 4.170 0.019 0.000 0.295 336 I C 0.289 176.256 176.117 -0.250 0.000 0.994 336 I CA -0.686 60.338 61.300 -0.461 0.000 1.144 336 I CB 1.748 39.170 38.000 -0.962 0.000 1.314 336 I HN 0.667 nan 8.210 nan 0.000 0.445 337 Q N 4.517 124.154 119.800 -0.272 0.000 2.354 337 Q HA 0.173 4.525 4.340 0.019 0.000 0.244 337 Q C -0.450 175.488 176.000 -0.103 0.000 0.969 337 Q CA -0.617 55.096 55.803 -0.150 0.000 0.885 337 Q CB 0.902 29.555 28.738 -0.140 0.000 1.241 337 Q HN 0.402 nan 8.270 nan 0.000 0.461 338 E N 1.310 121.490 120.200 -0.034 0.000 2.480 338 E HA -0.026 4.336 4.350 0.019 0.000 0.258 338 E C -0.600 176.009 176.600 0.015 0.000 0.984 338 E CA 0.160 56.577 56.400 0.028 0.000 0.930 338 E CB 0.553 30.280 29.700 0.045 0.000 0.936 338 E HN 0.268 nan 8.360 nan 0.000 0.466 339 V N 2.567 122.503 119.914 0.038 0.000 2.572 339 V HA 0.078 4.209 4.120 0.019 0.000 0.291 339 V C 0.690 176.761 176.094 -0.038 0.000 1.039 339 V CA -0.097 62.187 62.300 -0.026 0.000 1.055 339 V CB 1.095 32.894 31.823 -0.041 0.000 0.969 339 V HN 0.703 nan 8.190 nan 0.000 0.482 340 A N 5.308 128.099 122.820 -0.049 0.000 3.004 340 A HA 0.647 4.979 4.320 0.019 0.000 0.286 340 A C 0.802 178.263 177.584 -0.205 0.000 1.632 340 A CA -0.011 51.998 52.037 -0.048 0.000 1.339 340 A CB -0.533 18.478 19.000 0.018 0.000 1.136 340 A HN 1.163 nan 8.150 nan 0.000 0.577 341 A N 2.982 125.392 122.820 -0.684 0.000 2.477 341 A HA 0.539 4.870 4.320 0.019 0.000 0.246 341 A C 0.408 177.751 177.584 -0.402 0.000 1.078 341 A CA 0.175 51.774 52.037 -0.731 0.000 0.770 341 A CB -0.045 18.010 19.000 -1.576 0.000 1.011 341 A HN 1.168 nan 8.150 nan 0.000 0.494 342 N N -0.003 118.785 118.700 0.146 0.000 3.308 342 N HA 0.223 4.975 4.740 0.019 0.000 0.276 342 N C -0.416 175.302 175.510 0.346 0.000 1.533 342 N CA -0.564 52.633 53.050 0.245 0.000 0.878 342 N CB 0.039 38.634 38.487 0.180 0.000 1.566 342 N HN 0.215 nan 8.380 nan 0.000 0.546 343 Y N -0.416 120.138 120.300 0.424 0.000 2.314 343 Y HA 0.361 4.923 4.550 0.020 0.000 0.294 343 Y C 2.468 178.474 175.900 0.176 0.000 1.119 343 Y CA 1.576 59.827 58.100 0.251 0.000 1.179 343 Y CB -0.579 38.035 38.460 0.257 0.000 1.025 343 Y HN 0.760 nan 8.280 nan 0.000 0.541 344 A N 0.470 123.492 122.820 0.338 0.000 1.917 344 A HA 0.067 4.398 4.320 0.019 0.000 0.219 344 A C 2.070 179.786 177.584 0.221 0.000 1.182 344 A CA 1.708 53.897 52.037 0.253 0.000 0.633 344 A CB -1.436 17.689 19.000 0.208 0.000 0.819 344 A HN 0.590 nan 8.150 nan 0.000 0.448 345 G N -2.283 106.639 108.800 0.204 0.000 2.575 345 G HA2 -0.184 3.787 3.960 0.019 0.000 0.267 345 G HA3 -0.184 3.787 3.960 0.019 0.000 0.267 345 G C -0.003 175.010 174.900 0.188 0.000 1.264 345 G CA 0.033 45.243 45.100 0.184 0.000 0.935 345 G HN 1.130 nan 8.290 nan 0.000 0.568 346 V N 1.485 121.510 119.914 0.185 0.000 2.432 346 V HA 0.463 4.595 4.120 0.019 0.000 0.275 346 V C 1.121 177.315 176.094 0.166 0.000 1.043 346 V CA 0.260 62.675 62.300 0.192 0.000 0.925 346 V CB 1.067 32.994 31.823 0.175 0.000 0.985 346 V HN 0.910 nan 8.190 nan 0.000 0.466 347 T N 4.873 119.522 114.554 0.159 0.000 2.940 347 T HA 0.044 4.406 4.350 0.019 0.000 0.309 347 T C 0.263 175.030 174.700 0.112 0.000 1.056 347 T CA 0.175 62.358 62.100 0.137 0.000 1.137 347 T CB 0.288 69.227 68.868 0.118 0.000 0.976 347 T HN 0.792 nan 8.240 nan 0.000 0.547 348 Q N 2.098 121.955 119.800 0.096 0.000 2.283 348 Q HA 0.043 4.394 4.340 0.019 0.000 0.301 348 Q C 1.226 177.250 176.000 0.041 0.000 1.063 348 Q CA 0.021 55.853 55.803 0.049 0.000 0.952 348 Q CB 0.215 28.979 28.738 0.044 0.000 1.166 348 Q HN 0.795 nan 8.270 nan 0.000 0.381 349 I N -0.099 120.486 120.570 0.025 0.000 3.228 349 I HA 0.180 4.361 4.170 0.019 0.000 0.279 349 I C 0.060 176.173 176.117 -0.007 0.000 1.221 349 I CA -0.099 61.216 61.300 0.025 0.000 1.458 349 I CB 0.384 38.409 38.000 0.042 0.000 1.105 349 I HN 0.412 nan 8.210 nan 0.000 0.445 350 S N 0.408 116.095 115.700 -0.021 0.000 2.537 350 S HA 0.455 4.937 4.470 0.019 0.000 0.270 350 S C -0.858 173.718 174.600 -0.040 0.000 1.142 350 S CA -0.988 57.193 58.200 -0.033 0.000 0.870 350 S CB 1.448 64.622 63.200 -0.045 0.000 1.112 350 S HN 0.145 nan 8.310 nan 0.000 0.466 351 N N 0.898 119.575 118.700 -0.038 0.000 2.444 351 N HA 0.299 5.051 4.740 0.019 0.000 0.255 351 N C -0.493 174.980 175.510 -0.062 0.000 1.255 351 N CA -0.383 52.638 53.050 -0.048 0.000 0.933 351 N CB 0.433 38.891 38.487 -0.048 0.000 1.143 351 N HN 0.775 nan 8.380 nan 0.000 0.453 352 L N 1.376 122.554 121.223 -0.074 0.000 2.312 352 L HA 0.304 4.655 4.340 0.019 0.000 0.281 352 L C 0.057 176.868 176.870 -0.100 0.000 1.070 352 L CA -0.629 54.167 54.840 -0.073 0.000 0.805 352 L CB 0.689 42.726 42.059 -0.037 0.000 1.174 352 L HN 0.406 nan 8.230 nan 0.000 0.434 353 N N 6.165 124.819 118.700 -0.076 0.000 2.420 353 N HA 0.305 5.056 4.740 0.019 0.000 0.249 353 N C -2.035 173.420 175.510 -0.091 0.000 1.033 353 N CA -2.195 50.807 53.050 -0.081 0.000 0.944 353 N CB 1.291 39.779 38.487 0.003 0.000 1.113 353 N HN 0.424 nan 8.380 nan 0.000 0.502 354 P HA 0.041 nan 4.420 nan 0.000 0.249 354 P C -0.016 177.336 177.300 0.088 0.000 1.229 354 P CA 0.453 63.544 63.100 -0.016 0.000 0.788 354 P CB 0.025 31.453 31.700 -0.453 0.000 1.072 355 Y N -0.736 119.719 120.300 0.259 0.000 2.462 355 Y HA 0.188 4.750 4.550 0.019 0.000 0.261 355 Y C 1.216 177.210 175.900 0.156 0.000 1.146 355 Y CA -0.523 57.731 58.100 0.256 0.000 1.283 355 Y CB -0.483 38.090 38.460 0.188 0.000 1.090 355 Y HN -0.042 nan 8.280 nan 0.000 0.526 356 N N 0.883 119.689 118.700 0.177 0.000 2.458 356 N HA 0.137 4.888 4.740 0.019 0.000 0.271 356 N C -0.002 175.490 175.510 -0.030 0.000 1.210 356 N CA -0.716 52.366 53.050 0.053 0.000 0.978 356 N CB 0.663 39.141 38.487 -0.015 0.000 1.206 356 N HN 0.091 nan 8.380 nan 0.000 0.536 357 R N 0.652 121.085 120.500 -0.111 0.000 2.484 357 R HA 0.157 4.509 4.340 0.019 0.000 0.293 357 R C -1.155 174.941 176.300 -0.341 0.000 1.023 357 R CA 0.062 56.023 56.100 -0.231 0.000 1.037 357 R CB 0.037 30.118 30.300 -0.365 0.000 0.951 357 R HN 0.223 nan 8.270 nan 0.000 0.418 358 V N 4.886 124.455 119.914 -0.575 0.000 2.487 358 V HA 0.182 4.313 4.120 0.019 0.000 0.298 358 V C -0.343 175.281 176.094 -0.782 0.000 1.028 358 V CA -0.961 60.859 62.300 -0.800 0.000 0.860 358 V CB 1.680 32.673 31.823 -1.383 0.000 0.991 358 V HN 0.791 nan 8.190 nan 0.000 0.427 359 E N 2.449 122.376 120.200 -0.454 0.000 2.413 359 E HA 0.173 4.535 4.350 0.019 0.000 0.263 359 E C 1.201 177.617 176.600 -0.307 0.000 1.015 359 E CA 0.431 56.650 56.400 -0.302 0.000 0.916 359 E CB 1.290 30.860 29.700 -0.217 0.000 0.947 359 E HN 0.763 nan 8.360 nan 0.000 0.440 360 A N 3.783 126.429 122.820 -0.291 0.000 1.978 360 A HA -0.194 4.138 4.320 0.019 0.000 0.220 360 A C 1.485 179.095 177.584 0.044 0.000 1.170 360 A CA 1.556 53.401 52.037 -0.320 0.000 0.636 360 A CB -0.332 18.078 19.000 -0.983 0.000 0.810 360 A HN 0.616 nan 8.150 nan 0.000 0.448 361 E N 0.287 120.496 120.200 0.016 0.000 2.485 361 E HA -0.013 4.348 4.350 0.019 0.000 0.194 361 E C -0.647 175.856 176.600 -0.162 0.000 1.098 361 E CA 0.435 56.878 56.400 0.072 0.000 0.878 361 E CB -0.688 29.001 29.700 -0.018 0.000 0.939 361 E HN 0.277 nan 8.360 nan 0.000 0.503 362 T N 2.504 117.014 114.554 -0.074 0.000 2.832 362 T HA 0.459 4.820 4.350 0.019 0.000 0.313 362 T C -0.742 174.006 174.700 0.081 0.000 1.035 362 T CA -0.582 61.426 62.100 -0.154 0.000 0.950 362 T CB -0.404 68.368 68.868 -0.160 0.000 0.984 362 T HN 0.242 nan 8.240 nan 0.000 0.486 363 F N -0.137 119.808 119.950 -0.009 0.000 2.668 363 F HA 0.810 5.349 4.527 0.020 0.000 0.309 363 F C 0.367 176.088 175.800 -0.133 0.000 1.117 363 F CA -1.579 56.424 58.000 0.005 0.000 0.951 363 F CB 0.738 39.780 39.000 0.070 0.000 1.323 363 F HN 0.321 nan 8.300 nan 0.000 0.451 364 A N 0.044 122.839 122.820 -0.042 0.000 1.973 364 A HA 0.396 4.727 4.320 0.019 0.000 0.210 364 A C -0.225 176.942 177.584 -0.695 0.000 1.200 364 A CA 0.363 52.023 52.037 -0.628 0.000 0.707 364 A CB 0.062 18.224 19.000 -1.398 0.000 0.862 364 A HN 0.666 nan 8.150 nan 0.000 0.461 365 W N -0.545 120.973 121.300 0.362 0.000 3.031 365 W HA 0.512 5.184 4.660 0.020 0.000 0.337 365 W C -1.021 175.566 176.519 0.113 0.000 1.187 365 W CA -0.580 56.956 57.345 0.318 0.000 1.166 365 W CB 0.997 30.701 29.460 0.406 0.000 1.437 365 W HN 0.501 nan 8.180 nan 0.000 0.551 366 N N -0.392 118.290 118.700 -0.030 0.000 2.591 366 N HA 0.737 5.488 4.740 0.019 0.000 0.263 366 N C -1.185 173.669 175.510 -1.093 0.000 1.308 366 N CA -0.777 51.802 53.050 -0.786 0.000 0.837 366 N CB 2.227 40.261 38.487 -0.755 0.000 1.548 366 N HN 0.544 nan 8.380 nan 0.000 0.493 367 G N 0.728 108.543 108.800 -1.643 0.000 2.417 367 G HA2 0.496 4.468 3.960 0.019 0.000 0.282 367 G HA3 0.496 4.468 3.960 0.019 0.000 0.282 367 G C -1.454 173.040 174.900 -0.677 0.000 1.388 367 G CA -0.711 43.827 45.100 -0.936 0.000 1.276 367 G HN 0.516 nan 8.290 nan 0.000 0.602 368 R N 1.828 122.145 120.500 -0.306 0.000 2.483 368 R HA 0.590 4.942 4.340 0.019 0.000 0.303 368 R C -0.525 175.696 176.300 -0.132 0.000 0.987 368 R CA -0.696 55.280 56.100 -0.208 0.000 0.881 368 R CB 1.963 32.206 30.300 -0.094 0.000 1.177 368 R HN 0.601 nan 8.270 nan 0.000 0.451 369 I N -0.430 120.062 120.570 -0.130 0.000 3.294 369 I HA 0.648 4.830 4.170 0.019 0.000 0.311 369 I C -0.954 175.184 176.117 0.035 0.000 1.111 369 I CA -1.161 60.097 61.300 -0.071 0.000 0.976 369 I CB 1.075 39.008 38.000 -0.112 0.000 1.260 369 I HN 0.368 nan 8.210 nan 0.000 0.474 370 L N 0.328 121.595 121.223 0.073 0.000 2.301 370 L HA 0.832 5.183 4.340 0.019 0.000 0.264 370 L C -0.497 176.497 176.870 0.207 0.000 1.016 370 L CA -0.682 54.268 54.840 0.184 0.000 0.821 370 L CB 2.391 44.523 42.059 0.122 0.000 1.346 370 L HN 0.908 nan 8.230 nan 0.000 0.429 371 T N -1.762 112.962 114.554 0.285 0.000 2.887 371 T HA 0.739 5.100 4.350 0.019 0.000 0.288 371 T C -0.817 173.923 174.700 0.067 0.000 1.021 371 T CA -0.766 61.453 62.100 0.198 0.000 1.000 371 T CB 2.169 71.183 68.868 0.244 0.000 1.034 371 T HN 0.766 nan 8.240 nan 0.000 0.467 372 E N 0.751 120.948 120.200 -0.005 0.000 2.445 372 E HA 0.453 4.814 4.350 0.019 0.000 0.279 372 E C -1.181 175.262 176.600 -0.262 0.000 1.018 372 E CA -1.358 54.976 56.400 -0.110 0.000 0.816 372 E CB 1.639 31.309 29.700 -0.050 0.000 1.356 372 E HN 0.662 nan 8.360 nan 0.000 0.462 373 K N 0.815 121.090 120.400 -0.209 0.000 2.295 373 K HA 0.223 4.555 4.320 0.019 0.000 0.270 373 K C -0.853 175.566 176.600 -0.303 0.000 1.011 373 K CA -0.168 55.991 56.287 -0.213 0.000 0.953 373 K CB 1.229 33.664 32.500 -0.109 0.000 0.956 373 K HN 0.473 nan 8.250 nan 0.000 0.477 374 S N 1.326 116.863 115.700 -0.272 0.000 2.513 374 S HA 0.196 4.677 4.470 0.019 0.000 0.299 374 S C 0.499 175.075 174.600 -0.039 0.000 1.087 374 S CA -0.618 57.400 58.200 -0.304 0.000 1.012 374 S CB 1.427 64.497 63.200 -0.217 0.000 1.044 374 S HN 0.733 nan 8.310 nan 0.000 0.485 375 T N 1.483 116.160 114.554 0.205 0.000 3.129 375 T HA 0.388 4.750 4.350 0.019 0.000 0.251 375 T C 0.752 175.447 174.700 -0.008 0.000 1.117 375 T CA 0.207 62.425 62.100 0.196 0.000 1.034 375 T CB -0.308 68.800 68.868 0.400 0.000 0.968 375 T HN 0.825 nan 8.240 nan 0.000 0.526 376 A N 3.092 125.591 122.820 -0.535 0.000 2.520 376 A HA 0.472 4.804 4.320 0.019 0.000 0.245 376 A C -2.093 175.237 177.584 -0.423 0.000 1.072 376 A CA -1.159 50.200 52.037 -1.130 0.000 0.761 376 A CB -0.355 17.781 19.000 -1.440 0.000 1.004 376 A HN 0.282 nan 8.150 nan 0.000 0.499 377 P HA 0.366 nan 4.420 nan 0.000 0.266 377 P C 1.001 178.234 177.300 -0.112 0.000 1.195 377 P CA 1.678 64.715 63.100 -0.105 0.000 0.768 377 P CB 0.491 32.176 31.700 -0.025 0.000 0.838 378 G N 1.432 110.179 108.800 -0.088 0.000 2.562 378 G HA2 0.283 4.254 3.960 0.019 0.000 0.250 378 G HA3 0.283 4.254 3.960 0.019 0.000 0.250 378 G C 0.162 174.993 174.900 -0.114 0.000 1.269 378 G CA 0.142 45.189 45.100 -0.090 0.000 0.919 378 G HN 1.183 nan 8.290 nan 0.000 0.574 379 G N -1.326 107.396 108.800 -0.131 0.000 2.796 379 G HA2 0.364 4.335 3.960 0.019 0.000 0.571 379 G HA3 0.364 4.335 3.960 0.019 0.000 0.571 379 G C -1.417 173.415 174.900 -0.113 0.000 1.370 379 G CA 0.709 45.724 45.100 -0.142 0.000 0.856 379 G HN 1.624 nan 8.290 nan 0.000 0.538 380 P HA 0.492 nan 4.420 nan 0.000 0.275 380 P C 0.515 177.780 177.300 -0.057 0.000 1.266 380 P CA -0.467 62.593 63.100 -0.068 0.000 0.793 380 P CB 0.442 32.122 31.700 -0.033 0.000 1.074 381 V N 1.610 121.488 119.914 -0.060 0.000 2.644 381 V HA -0.111 4.020 4.120 0.019 0.000 0.305 381 V C 1.301 177.381 176.094 -0.023 0.000 1.053 381 V CA 0.971 63.232 62.300 -0.064 0.000 1.186 381 V CB -1.238 30.518 31.823 -0.112 0.000 0.895 381 V HN 0.837 nan 8.190 nan 0.000 0.490 382 N N 2.260 120.945 118.700 -0.026 0.000 2.725 382 N HA -0.215 4.537 4.740 0.019 0.000 0.249 382 N C 0.161 175.658 175.510 -0.021 0.000 1.103 382 N CA 0.992 54.036 53.050 -0.009 0.000 0.707 382 N CB -1.356 37.151 38.487 0.032 0.000 1.043 382 N HN 0.928 nan 8.380 nan 0.000 0.553 383 N N 0.895 119.565 118.700 -0.048 0.000 2.292 383 N HA -0.074 4.677 4.740 0.019 0.000 0.258 383 N C -0.188 175.257 175.510 -0.107 0.000 1.261 383 N CA 0.798 53.803 53.050 -0.075 0.000 0.845 383 N CB 0.463 38.887 38.487 -0.105 0.000 1.064 383 N HN 0.198 nan 8.380 nan 0.000 0.471 384 Q N 1.579 121.315 119.800 -0.106 0.000 2.252 384 Q HA 0.370 4.721 4.340 0.019 0.000 0.256 384 Q C -0.308 175.643 176.000 -0.082 0.000 1.020 384 Q CA -0.601 55.120 55.803 -0.136 0.000 0.913 384 Q CB 1.643 30.326 28.738 -0.090 0.000 1.286 384 Q HN 0.896 nan 8.270 nan 0.000 0.480 385 H N -3.195 115.888 119.070 0.021 0.000 2.946 385 H HA 0.612 5.180 4.556 0.019 0.000 0.365 385 H C -0.942 174.438 175.328 0.087 0.000 1.197 385 H CA -1.087 54.999 56.048 0.064 0.000 1.131 385 H CB 1.025 30.900 29.762 0.188 0.000 1.849 385 H HN 0.222 nan 8.280 nan 0.000 0.555 386 V N 1.642 121.734 119.914 0.298 0.000 2.461 386 V HA 0.237 4.368 4.120 0.019 0.000 0.275 386 V C 0.550 176.737 176.094 0.155 0.000 1.047 386 V CA 0.232 62.648 62.300 0.193 0.000 0.955 386 V CB 0.898 32.788 31.823 0.111 0.000 0.988 386 V HN 0.922 nan 8.190 nan 0.000 0.471 387 T N 2.226 116.851 114.554 0.118 0.000 2.669 387 T HA 0.450 4.811 4.350 0.019 0.000 0.283 387 T C 0.290 174.966 174.700 -0.039 0.000 1.019 387 T CA 0.328 62.440 62.100 0.021 0.000 1.039 387 T CB 1.700 70.658 68.868 0.149 0.000 1.374 387 T HN 0.992 nan 8.240 nan 0.000 0.523 388 S N 0.186 115.849 115.700 -0.061 0.000 3.706 388 S HA -0.136 4.346 4.470 0.019 0.000 0.363 388 S C -0.098 174.424 174.600 -0.130 0.000 0.999 388 S CA 0.370 58.527 58.200 -0.072 0.000 1.143 388 S CB -1.862 61.327 63.200 -0.018 0.000 0.902 388 S HN 0.474 nan 8.310 nan 0.000 0.476 389 I N 2.076 122.500 120.570 -0.244 0.000 2.312 389 I HA 0.328 4.510 4.170 0.019 0.000 0.291 389 I C 0.440 176.391 176.117 -0.276 0.000 1.031 389 I CA -0.369 60.722 61.300 -0.348 0.000 1.293 389 I CB 1.269 38.791 38.000 -0.798 0.000 1.403 389 I HN 0.325 nan 8.210 nan 0.000 0.484 390 Q N 4.072 123.792 119.800 -0.134 0.000 2.378 390 Q HA 0.333 4.685 4.340 0.019 0.000 0.276 390 Q C -0.354 175.644 176.000 -0.003 0.000 1.083 390 Q CA -0.982 54.773 55.803 -0.079 0.000 0.856 390 Q CB 0.956 29.668 28.738 -0.044 0.000 1.383 390 Q HN 0.477 nan 8.270 nan 0.000 0.458 391 N N 0.021 118.730 118.700 0.014 0.000 2.411 391 N HA 0.225 4.977 4.740 0.019 0.000 0.261 391 N C 0.664 176.227 175.510 0.089 0.000 1.248 391 N CA 1.810 54.898 53.050 0.063 0.000 0.885 391 N CB 0.182 38.695 38.487 0.044 0.000 1.062 391 N HN 0.742 nan 8.380 nan 0.000 0.471 392 G N 2.068 110.947 108.800 0.132 0.000 2.199 392 G HA2 -0.260 3.711 3.960 0.019 0.000 0.254 392 G HA3 -0.260 3.711 3.960 0.019 0.000 0.254 392 G C -0.139 174.900 174.900 0.232 0.000 0.982 392 G CA 0.215 45.407 45.100 0.154 0.000 0.632 392 G HN 0.671 nan 8.290 nan 0.000 0.529 393 D N 0.457 120.982 120.400 0.208 0.000 2.361 393 D HA 0.549 5.201 4.640 0.019 0.000 0.239 393 D C 0.943 177.396 176.300 0.256 0.000 1.200 393 D CA 1.001 55.109 54.000 0.180 0.000 0.915 393 D CB 0.357 41.267 40.800 0.184 0.000 1.170 393 D HN 0.657 nan 8.370 nan 0.000 0.444 394 W N 0.128 121.480 121.300 0.087 0.000 3.153 394 W HA 0.528 5.199 4.660 0.019 0.000 0.316 394 W C -1.565 174.958 176.519 0.006 0.000 1.255 394 W CA -0.974 56.260 57.345 -0.185 0.000 1.192 394 W CB -0.000 29.422 29.460 -0.063 0.000 1.400 394 W HN 0.305 nan 8.180 nan 0.000 0.568 395 I N 0.261 120.992 120.570 0.269 0.000 3.042 395 I HA 0.999 5.181 4.170 0.019 0.000 0.310 395 I C -0.832 175.514 176.117 0.382 0.000 1.117 395 I CA -1.177 60.244 61.300 0.202 0.000 1.003 395 I CB 2.022 40.046 38.000 0.040 0.000 1.228 395 I HN 0.660 nan 8.210 nan 0.000 0.443 396 A N 2.931 125.908 122.820 0.260 0.000 2.549 396 A HA 0.788 5.119 4.320 0.019 0.000 0.297 396 A C -0.851 176.809 177.584 0.126 0.000 1.061 396 A CA -0.583 51.401 52.037 -0.088 0.000 0.690 396 A CB 1.793 20.274 19.000 -0.864 0.000 1.287 396 A HN 1.165 nan 8.150 nan 0.000 0.402 397 V N -0.351 119.602 119.914 0.065 0.000 2.630 397 V HA 0.927 5.058 4.120 0.019 0.000 0.305 397 V C 0.501 176.655 176.094 0.099 0.000 1.046 397 V CA -0.147 62.218 62.300 0.109 0.000 0.934 397 V CB 1.350 33.333 31.823 0.267 0.000 1.003 397 V HN 1.497 nan 8.190 nan 0.000 0.451 398 G N 1.549 110.362 108.800 0.021 0.000 2.353 398 G HA2 0.449 4.420 3.960 0.019 0.000 0.284 398 G HA3 0.449 4.420 3.960 0.019 0.000 0.284 398 G C -0.008 174.938 174.900 0.077 0.000 1.172 398 G CA -0.508 44.683 45.100 0.152 0.000 0.854 398 G HN 1.111 nan 8.290 nan 0.000 0.485 399 N N -0.988 117.773 118.700 0.101 0.000 2.688 399 N HA -0.159 4.593 4.740 0.019 0.000 0.258 399 N C 0.454 175.936 175.510 -0.047 0.000 1.016 399 N CA 0.799 53.864 53.050 0.026 0.000 0.747 399 N CB -1.051 37.450 38.487 0.023 0.000 0.895 399 N HN 1.034 nan 8.380 nan 0.000 0.543 400 A N 0.164 122.928 122.820 -0.094 0.000 2.409 400 A HA 0.327 4.658 4.320 0.019 0.000 0.262 400 A C 0.326 177.684 177.584 -0.377 0.000 1.113 400 A CA -0.197 51.670 52.037 -0.282 0.000 0.790 400 A CB 0.473 19.194 19.000 -0.465 0.000 1.046 400 A HN 0.254 nan 8.150 nan 0.000 0.496 401 D N 2.177 122.366 120.400 -0.351 0.000 2.412 401 D HA 0.408 5.059 4.640 0.019 0.000 0.224 401 D C -0.104 176.045 176.300 -0.252 0.000 1.093 401 D CA -0.385 53.492 54.000 -0.205 0.000 0.850 401 D CB 0.062 40.818 40.800 -0.072 0.000 1.046 401 D HN 0.322 nan 8.370 nan 0.000 0.507 402 F N 2.340 122.290 119.950 0.000 0.000 2.710 402 F HA 0.250 4.789 4.527 0.020 0.000 0.298 402 F C 1.903 177.860 175.800 0.261 0.000 1.137 402 F CA 0.878 58.920 58.000 0.071 0.000 1.444 402 F CB -0.275 38.737 39.000 0.020 0.000 1.111 402 F HN 0.591 nan 8.300 nan 0.000 0.580 403 G N 0.115 109.095 108.800 0.299 0.000 2.828 403 G HA2 -0.051 3.920 3.960 0.019 0.000 0.463 403 G HA3 -0.051 3.920 3.960 0.019 0.000 0.463 403 G C 0.838 175.847 174.900 0.182 0.000 1.394 403 G CA -0.430 44.800 45.100 0.216 0.000 0.862 403 G HN 0.459 nan 8.290 nan 0.000 0.540 404 A N -0.579 122.313 122.820 0.119 0.000 1.930 404 A HA 0.315 4.647 4.320 0.019 0.000 0.217 404 A C 2.768 180.404 177.584 0.087 0.000 1.175 404 A CA 2.537 54.627 52.037 0.090 0.000 0.627 404 A CB -0.757 18.280 19.000 0.061 0.000 0.815 404 A HN 2.318 nan 8.150 nan 0.000 0.443 405 G N -1.375 107.477 108.800 0.087 0.000 2.464 405 G HA2 0.400 4.372 3.960 0.019 0.000 0.217 405 G HA3 0.400 4.372 3.960 0.019 0.000 0.217 405 G C 1.074 176.029 174.900 0.092 0.000 1.138 405 G CA 0.671 45.812 45.100 0.068 0.000 0.793 405 G HN 1.665 nan 8.290 nan 0.000 0.539 406 G N -0.888 108.011 108.800 0.166 0.000 2.782 406 G HA2 0.350 4.321 3.960 0.019 0.000 0.228 406 G HA3 0.350 4.321 3.960 0.019 0.000 0.228 406 G C 0.008 175.059 174.900 0.251 0.000 1.372 406 G CA -0.230 44.991 45.100 0.202 0.000 0.862 406 G HN 1.360 nan 8.290 nan 0.000 0.547 407 A N -0.476 122.480 122.820 0.226 0.000 2.306 407 A HA 0.821 5.153 4.320 0.019 0.000 0.314 407 A C 1.220 178.948 177.584 0.239 0.000 1.164 407 A CA 0.785 53.050 52.037 0.379 0.000 0.822 407 A CB 1.360 20.639 19.000 0.464 0.000 1.130 407 A HN 1.370 nan 8.150 nan 0.000 0.496 408 R N 0.973 121.634 120.500 0.267 0.000 2.075 408 R HA 0.102 4.454 4.340 0.019 0.000 0.220 408 R C 0.648 177.082 176.300 0.224 0.000 1.118 408 R CA 1.570 57.784 56.100 0.190 0.000 0.986 408 R CB -0.004 30.384 30.300 0.146 0.000 0.884 408 R HN 0.854 nan 8.270 nan 0.000 0.439 409 S N -1.651 114.236 115.700 0.312 0.000 2.685 409 S HA 0.515 4.997 4.470 0.019 0.000 0.282 409 S C -1.264 173.570 174.600 0.390 0.000 1.159 409 S CA -0.965 57.408 58.200 0.288 0.000 0.833 409 S CB 1.686 64.996 63.200 0.184 0.000 1.151 409 S HN 0.173 nan 8.310 nan 0.000 0.485 410 F N 0.802 120.784 119.950 0.053 0.000 2.561 410 F HA 0.703 5.241 4.527 0.019 0.000 0.313 410 F C -1.091 174.663 175.800 -0.077 0.000 1.126 410 F CA -0.533 57.360 58.000 -0.179 0.000 0.918 410 F CB 1.669 40.461 39.000 -0.347 0.000 1.199 410 F HN 0.747 nan 8.300 nan 0.000 0.444 411 K N 4.704 124.696 120.400 -0.680 0.000 2.259 411 K HA 0.902 5.234 4.320 0.019 0.000 0.252 411 K C -1.402 174.746 176.600 -0.753 0.000 0.936 411 K CA -1.184 54.795 56.287 -0.513 0.000 0.810 411 K CB 2.168 34.579 32.500 -0.149 0.000 1.143 411 K HN 0.678 nan 8.250 nan 0.000 0.427 412 A N 2.108 124.614 122.820 -0.522 0.000 2.422 412 A HA 0.402 4.733 4.320 0.019 0.000 0.302 412 A C -1.361 176.040 177.584 -0.304 0.000 1.041 412 A CA -0.771 51.056 52.037 -0.351 0.000 0.708 412 A CB 1.232 20.016 19.000 -0.359 0.000 1.257 412 A HN 0.682 nan 8.150 nan 0.000 0.414 413 N N 0.904 119.346 118.700 -0.430 0.000 2.414 413 N HA 0.539 5.290 4.740 0.019 0.000 0.256 413 N C -0.608 174.997 175.510 0.159 0.000 1.029 413 N CA 0.103 52.961 53.050 -0.319 0.000 0.948 413 N CB 1.161 39.118 38.487 -0.884 0.000 1.102 413 N HN 0.926 nan 8.380 nan 0.000 0.496 414 V N 0.287 120.315 119.914 0.189 0.000 3.078 414 V HA 1.001 5.132 4.120 0.019 0.000 0.311 414 V C -0.825 175.142 176.094 -0.212 0.000 1.138 414 V CA -1.275 61.073 62.300 0.079 0.000 1.007 414 V CB 1.348 33.029 31.823 -0.237 0.000 1.045 414 V HN 0.654 nan 8.190 nan 0.000 0.432 415 A N 1.657 124.100 122.820 -0.628 0.000 2.359 415 A HA 0.936 5.267 4.320 0.019 0.000 0.303 415 A C -0.486 176.831 177.584 -0.446 0.000 1.066 415 A CA -0.200 51.327 52.037 -0.849 0.000 0.730 415 A CB 1.741 19.669 19.000 -1.785 0.000 1.211 415 A HN 1.690 nan 8.150 nan 0.000 0.439 416 S N 0.722 116.244 115.700 -0.296 0.000 2.533 416 S HA 0.540 5.021 4.470 0.019 0.000 0.271 416 S C 0.691 175.214 174.600 -0.127 0.000 1.143 416 S CA 0.163 58.276 58.200 -0.146 0.000 0.891 416 S CB 1.572 64.734 63.200 -0.064 0.000 1.105 416 S HN 0.682 nan 8.310 nan 0.000 0.468 417 T N 4.011 118.511 114.554 -0.091 0.000 2.809 417 T HA 0.160 4.521 4.350 0.019 0.000 0.260 417 T C 1.353 176.023 174.700 -0.049 0.000 1.039 417 T CA 0.969 63.026 62.100 -0.072 0.000 1.141 417 T CB -0.142 68.689 68.868 -0.062 0.000 0.869 417 T HN 0.564 nan 8.240 nan 0.000 0.437 418 L N -0.405 120.799 121.223 -0.031 0.000 2.781 418 L HA 0.425 4.777 4.340 0.019 0.000 0.245 418 L C 1.179 178.047 176.870 -0.004 0.000 1.118 418 L CA -0.165 54.664 54.840 -0.017 0.000 0.918 418 L CB 0.154 42.207 42.059 -0.011 0.000 1.246 418 L HN 0.474 nan 8.230 nan 0.000 0.526 419 G N -0.233 108.575 108.800 0.012 0.000 2.712 419 G HA2 0.219 4.190 3.960 0.019 0.000 0.683 419 G HA3 0.219 4.190 3.960 0.019 0.000 0.683 419 G C -0.302 174.658 174.900 0.100 0.000 1.320 419 G CA -0.507 44.602 45.100 0.015 0.000 0.847 419 G HN 0.547 nan 8.290 nan 0.000 0.553 420 G N -1.062 107.781 108.800 0.072 0.000 2.356 420 G HA2 0.708 4.679 3.960 0.019 0.000 0.281 420 G HA3 0.708 4.679 3.960 0.019 0.000 0.281 420 G C -1.392 173.545 174.900 0.061 0.000 1.246 420 G CA 0.096 45.302 45.100 0.176 0.000 0.889 420 G HN 0.953 nan 8.290 nan 0.000 0.486 421 K N -0.607 119.893 120.400 0.166 0.000 2.469 421 K HA 0.651 4.982 4.320 0.019 0.000 0.254 421 K C -1.277 175.423 176.600 0.166 0.000 0.939 421 K CA -0.705 55.620 56.287 0.064 0.000 0.812 421 K CB 2.884 35.426 32.500 0.071 0.000 1.301 421 K HN 0.353 nan 8.250 nan 0.000 0.433 422 I N 2.291 122.898 120.570 0.061 0.000 2.382 422 I HA 0.190 4.371 4.170 0.019 0.000 0.285 422 I C -0.326 175.843 176.117 0.087 0.000 1.007 422 I CA -0.532 60.871 61.300 0.171 0.000 1.142 422 I CB 1.524 39.592 38.000 0.113 0.000 1.289 422 I HN 0.414 nan 8.210 nan 0.000 0.453 423 E N 5.375 125.611 120.200 0.059 0.000 2.259 423 E HA 0.357 4.718 4.350 0.019 0.000 0.281 423 E C -0.922 175.642 176.600 -0.059 0.000 1.027 423 E CA -0.558 55.833 56.400 -0.015 0.000 0.838 423 E CB 2.185 31.865 29.700 -0.032 0.000 1.066 423 E HN 0.272 nan 8.360 nan 0.000 0.401 424 V N 4.651 124.489 119.914 -0.128 0.000 2.347 424 V HA 0.359 4.490 4.120 0.019 0.000 0.280 424 V C 0.024 175.996 176.094 -0.204 0.000 1.021 424 V CA -0.521 61.643 62.300 -0.226 0.000 0.847 424 V CB 0.778 32.409 31.823 -0.321 0.000 0.990 424 V HN 0.590 nan 8.190 nan 0.000 0.444 425 R N 4.247 124.616 120.500 -0.217 0.000 2.686 425 R HA 0.716 5.068 4.340 0.019 0.000 0.286 425 R C -1.250 174.961 176.300 -0.148 0.000 0.969 425 R CA -0.839 55.150 56.100 -0.185 0.000 0.898 425 R CB 2.412 32.593 30.300 -0.199 0.000 1.183 425 R HN 0.558 nan 8.270 nan 0.000 0.456 426 L N 2.639 123.759 121.223 -0.172 0.000 2.343 426 L HA 0.262 4.614 4.340 0.019 0.000 0.275 426 L C 0.296 177.126 176.870 -0.066 0.000 1.056 426 L CA -0.218 54.546 54.840 -0.126 0.000 0.804 426 L CB 1.021 42.872 42.059 -0.346 0.000 1.203 426 L HN 0.802 nan 8.230 nan 0.000 0.440 427 D N -0.315 120.144 120.400 0.099 0.000 2.719 427 D HA -0.203 4.448 4.640 0.019 0.000 0.170 427 D C 0.274 176.524 176.300 -0.084 0.000 1.631 427 D CA 1.909 55.960 54.000 0.084 0.000 1.883 427 D CB -0.690 40.126 40.800 0.026 0.000 1.378 427 D HN 0.710 nan 8.370 nan 0.000 0.448 428 S N -1.423 113.982 115.700 -0.491 0.000 2.588 428 S HA 0.735 5.217 4.470 0.019 0.000 0.269 428 S C 0.653 174.282 174.600 -1.619 0.000 1.157 428 S CA -0.107 57.390 58.200 -1.173 0.000 0.824 428 S CB 1.955 64.774 63.200 -0.635 0.000 1.126 428 S HN 0.339 nan 8.310 nan 0.000 0.464 429 A N 0.494 122.178 122.820 -1.893 0.000 2.121 429 A HA 0.050 4.381 4.320 0.019 0.000 0.218 429 A C 1.057 178.256 177.584 -0.642 0.000 1.154 429 A CA 1.665 52.956 52.037 -1.243 0.000 0.679 429 A CB -0.894 17.375 19.000 -1.217 0.000 0.795 429 A HN 0.912 nan 8.150 nan 0.000 0.458 430 D N -1.443 118.627 120.400 -0.549 0.000 2.593 430 D HA 0.326 4.978 4.640 0.019 0.000 0.241 430 D C 0.698 176.819 176.300 -0.298 0.000 1.257 430 D CA 0.308 54.104 54.000 -0.340 0.000 0.828 430 D CB -0.602 40.038 40.800 -0.266 0.000 1.049 430 D HN 0.189 nan 8.370 nan 0.000 0.490 431 G N 0.059 108.649 108.800 -0.350 0.000 2.535 431 G HA2 0.176 4.147 3.960 0.019 0.000 0.282 431 G HA3 0.176 4.147 3.960 0.019 0.000 0.282 431 G C -0.305 174.470 174.900 -0.209 0.000 1.350 431 G CA -0.998 43.940 45.100 -0.270 0.000 1.039 431 G HN 0.206 nan 8.290 nan 0.000 0.509 432 K N -0.223 120.066 120.400 -0.186 0.000 2.466 432 K HA -0.005 4.327 4.320 0.019 0.000 0.278 432 K C -0.429 176.067 176.600 -0.173 0.000 1.048 432 K CA -0.332 55.853 56.287 -0.169 0.000 1.088 432 K CB 0.023 32.415 32.500 -0.181 0.000 0.884 432 K HN 0.210 nan 8.250 nan 0.000 0.478 433 L N 7.092 128.229 121.223 -0.143 0.000 2.342 433 L HA 0.032 4.384 4.340 0.019 0.000 0.285 433 L C 0.712 177.508 176.870 -0.124 0.000 1.095 433 L CA 0.211 54.973 54.840 -0.130 0.000 0.843 433 L CB 1.118 43.116 42.059 -0.102 0.000 1.201 433 L HN 0.569 nan 8.230 nan 0.000 0.445 434 V N 2.124 121.954 119.914 -0.141 0.000 3.590 434 V HA 0.694 4.825 4.120 0.019 0.000 0.265 434 V C 0.733 176.784 176.094 -0.072 0.000 1.239 434 V CA 0.603 62.825 62.300 -0.130 0.000 1.117 434 V CB -0.598 31.104 31.823 -0.201 0.000 0.818 434 V HN 0.848 nan 8.190 nan 0.000 0.451 435 G N -0.649 108.109 108.800 -0.069 0.000 2.411 435 G HA2 0.481 4.452 3.960 0.019 0.000 0.295 435 G HA3 0.481 4.452 3.960 0.019 0.000 0.295 435 G C -1.087 173.791 174.900 -0.036 0.000 1.542 435 G CA 0.142 45.224 45.100 -0.029 0.000 0.814 435 G HN 0.549 nan 8.290 nan 0.000 0.557 436 T N -0.333 114.219 114.554 -0.002 0.000 2.928 436 T HA 0.621 4.983 4.350 0.019 0.000 0.296 436 T C -0.927 173.792 174.700 0.032 0.000 1.000 436 T CA -0.528 61.576 62.100 0.006 0.000 0.989 436 T CB 1.298 70.163 68.868 -0.004 0.000 1.005 436 T HN 0.933 nan 8.240 nan 0.000 0.442 437 L N 5.327 126.579 121.223 0.049 0.000 2.264 437 L HA 0.572 4.923 4.340 0.019 0.000 0.289 437 L C -0.293 176.549 176.870 -0.046 0.000 1.044 437 L CA -0.693 54.168 54.840 0.035 0.000 0.807 437 L CB 0.675 42.796 42.059 0.105 0.000 1.192 437 L HN 0.653 nan 8.230 nan 0.000 0.425 438 N N 4.770 123.436 118.700 -0.056 0.000 2.408 438 N HA 0.156 4.908 4.740 0.019 0.000 0.257 438 N C -0.800 174.622 175.510 -0.147 0.000 1.064 438 N CA -0.254 52.747 53.050 -0.082 0.000 0.952 438 N CB 1.777 40.234 38.487 -0.049 0.000 1.093 438 N HN 0.314 nan 8.380 nan 0.000 0.490 439 V N 5.441 125.218 119.914 -0.228 0.000 2.408 439 V HA 0.205 4.337 4.120 0.019 0.000 0.267 439 V C -1.558 174.425 176.094 -0.186 0.000 1.047 439 V CA -1.187 60.922 62.300 -0.318 0.000 0.937 439 V CB 0.864 32.298 31.823 -0.648 0.000 0.999 439 V HN 0.533 nan 8.190 nan 0.000 0.472 440 P HA 0.168 nan 4.420 nan 0.000 0.276 440 P C -0.201 177.040 177.300 -0.098 0.000 1.261 440 P CA -0.434 62.607 63.100 -0.099 0.000 0.800 440 P CB 0.890 32.540 31.700 -0.084 0.000 1.066 441 S N -0.418 115.239 115.700 -0.071 0.000 2.516 441 S HA 0.122 4.603 4.470 0.019 0.000 0.282 441 S C 1.245 175.795 174.600 -0.083 0.000 1.286 441 S CA 0.202 58.359 58.200 -0.072 0.000 1.066 441 S CB -0.735 62.434 63.200 -0.052 0.000 0.884 441 S HN 0.589 nan 8.310 nan 0.000 0.491 442 T N 1.760 116.248 114.554 -0.109 0.000 3.040 442 T HA 0.439 4.800 4.350 0.019 0.000 0.250 442 T C 1.362 176.004 174.700 -0.097 0.000 1.058 442 T CA 0.547 62.579 62.100 -0.113 0.000 0.988 442 T CB 0.168 68.934 68.868 -0.170 0.000 0.993 442 T HN 1.358 nan 8.240 nan 0.000 0.519 443 G N -0.179 108.566 108.800 -0.091 0.000 2.284 443 G HA2 0.327 4.299 3.960 0.019 0.000 0.201 443 G HA3 0.327 4.299 3.960 0.019 0.000 0.201 443 G C 0.504 175.354 174.900 -0.083 0.000 0.998 443 G CA -0.276 44.781 45.100 -0.072 0.000 0.651 443 G HN 1.590 nan 8.290 nan 0.000 0.489 444 G N -1.626 107.099 108.800 -0.125 0.000 2.337 444 G HA2 0.563 4.534 3.960 0.019 0.000 0.298 444 G HA3 0.563 4.534 3.960 0.019 0.000 0.298 444 G C 0.562 175.331 174.900 -0.219 0.000 1.335 444 G CA 1.052 46.072 45.100 -0.132 0.000 0.875 444 G HN 1.602 nan 8.290 nan 0.000 0.579 445 A N -1.025 121.680 122.820 -0.191 0.000 2.172 445 A HA 0.222 4.554 4.320 0.019 0.000 0.216 445 A C 1.622 179.009 177.584 -0.328 0.000 1.154 445 A CA 1.986 53.867 52.037 -0.259 0.000 0.701 445 A CB -0.188 18.729 19.000 -0.138 0.000 0.789 445 A HN 0.551 nan 8.150 nan 0.000 0.465 446 Q N -0.721 118.943 119.800 -0.226 0.000 2.159 446 Q HA 0.126 4.478 4.340 0.019 0.000 0.217 446 Q C -0.822 175.094 176.000 -0.139 0.000 0.818 446 Q CA -0.022 55.739 55.803 -0.069 0.000 1.008 446 Q CB 0.968 29.770 28.738 0.107 0.000 1.148 446 Q HN 0.373 nan 8.270 nan 0.000 0.491 447 T N 0.637 114.966 114.554 -0.375 0.000 2.788 447 T HA 0.325 4.687 4.350 0.019 0.000 0.296 447 T C -1.120 173.365 174.700 -0.358 0.000 1.009 447 T CA -0.431 61.543 62.100 -0.210 0.000 0.949 447 T CB 0.385 69.184 68.868 -0.115 0.000 0.946 447 T HN 0.118 nan 8.240 nan 0.000 0.453 448 W N 2.565 123.863 121.300 -0.003 0.000 2.469 448 W HA 0.661 5.332 4.660 0.020 0.000 0.320 448 W C 0.612 177.114 176.519 -0.029 0.000 1.086 448 W CA -0.967 56.369 57.345 -0.015 0.000 1.211 448 W CB 1.094 30.559 29.460 0.008 0.000 1.298 448 W HN 0.280 nan 8.180 nan 0.000 0.525 449 R N 1.510 122.101 120.500 0.151 0.000 2.621 449 R HA 0.205 4.557 4.340 0.019 0.000 0.284 449 R C -0.990 175.326 176.300 0.026 0.000 0.998 449 R CA -1.104 55.035 56.100 0.065 0.000 0.895 449 R CB 2.529 32.823 30.300 -0.011 0.000 1.195 449 R HN 0.490 nan 8.270 nan 0.000 0.450 450 E N 4.116 124.323 120.200 0.012 0.000 2.167 450 E HA 0.209 4.570 4.350 0.019 0.000 0.284 450 E C -0.555 176.009 176.600 -0.060 0.000 1.016 450 E CA -0.456 55.916 56.400 -0.047 0.000 0.817 450 E CB 0.711 30.417 29.700 0.010 0.000 1.080 450 E HN 0.271 nan 8.360 nan 0.000 0.397 451 I N 3.530 124.032 120.570 -0.114 0.000 2.493 451 I HA 0.333 4.514 4.170 0.019 0.000 0.298 451 I C 0.072 176.118 176.117 -0.118 0.000 0.998 451 I CA -0.541 60.694 61.300 -0.107 0.000 1.137 451 I CB 1.537 39.453 38.000 -0.139 0.000 1.310 451 I HN 0.665 nan 8.210 nan 0.000 0.445 452 E N 2.550 122.710 120.200 -0.066 0.000 2.256 452 E HA 0.640 5.002 4.350 0.019 0.000 0.267 452 E C -1.401 175.200 176.600 0.002 0.000 0.892 452 E CA -0.323 56.051 56.400 -0.042 0.000 0.775 452 E CB 2.423 32.120 29.700 -0.006 0.000 1.207 452 E HN 0.636 nan 8.360 nan 0.000 0.420 453 T N 1.066 115.651 114.554 0.052 0.000 2.868 453 T HA 0.623 4.985 4.350 0.019 0.000 0.306 453 T C -1.274 173.498 174.700 0.121 0.000 1.224 453 T CA -0.165 61.983 62.100 0.081 0.000 1.012 453 T CB 1.303 70.226 68.868 0.092 0.000 1.221 453 T HN 0.589 nan 8.240 nan 0.000 0.499 454 A N 1.559 124.436 122.820 0.094 0.000 2.407 454 A HA 0.635 4.967 4.320 0.019 0.000 0.248 454 A C 0.127 177.782 177.584 0.117 0.000 1.082 454 A CA -0.306 51.791 52.037 0.101 0.000 0.785 454 A CB 0.233 19.271 19.000 0.063 0.000 1.020 454 A HN 1.077 nan 8.150 nan 0.000 0.489 455 V N 1.724 121.720 119.914 0.136 0.000 2.823 455 V HA 0.872 5.003 4.120 0.019 0.000 0.312 455 V C -0.345 175.778 176.094 0.048 0.000 1.072 455 V CA 0.330 62.693 62.300 0.105 0.000 0.937 455 V CB 2.220 34.168 31.823 0.210 0.000 1.013 455 V HN 1.671 nan 8.190 nan 0.000 0.430 456 S N 2.924 118.615 115.700 -0.014 0.000 2.541 456 S HA 0.802 5.284 4.470 0.019 0.000 0.271 456 S C 0.382 174.926 174.600 -0.093 0.000 1.133 456 S CA -0.059 58.119 58.200 -0.037 0.000 0.876 456 S CB 1.347 64.536 63.200 -0.019 0.000 1.105 456 S HN 2.631 nan 8.310 nan 0.000 0.470 457 G N 0.132 108.871 108.800 -0.102 0.000 2.137 457 G HA2 0.136 4.107 3.960 0.019 0.000 0.237 457 G HA3 0.136 4.107 3.960 0.019 0.000 0.237 457 G C 0.223 174.979 174.900 -0.240 0.000 1.002 457 G CA -0.110 44.908 45.100 -0.136 0.000 0.702 457 G HN 1.812 nan 8.290 nan 0.000 0.515 458 A N 0.872 123.498 122.820 -0.323 0.000 2.690 458 A HA 0.788 5.120 4.320 0.019 0.000 0.342 458 A C 0.517 177.853 177.584 -0.413 0.000 1.410 458 A CA 0.707 52.351 52.037 -0.655 0.000 0.958 458 A CB 0.266 18.523 19.000 -1.238 0.000 1.153 458 A HN 1.552 nan 8.150 nan 0.000 0.497 459 T N -1.027 113.474 114.554 -0.090 0.000 2.893 459 T HA 0.834 5.195 4.350 0.019 0.000 0.291 459 T C 0.463 175.354 174.700 0.318 0.000 1.028 459 T CA -0.036 62.152 62.100 0.147 0.000 0.995 459 T CB 1.477 70.404 68.868 0.098 0.000 1.051 459 T HN 2.287 nan 8.240 nan 0.000 0.470 460 G N 0.684 109.661 108.800 0.295 0.000 2.642 460 G HA2 -0.065 3.907 3.960 0.019 0.000 0.231 460 G HA3 -0.065 3.907 3.960 0.019 0.000 0.231 460 G C -0.689 174.314 174.900 0.171 0.000 1.338 460 G CA -0.440 44.768 45.100 0.181 0.000 0.883 460 G HN 1.495 nan 8.290 nan 0.000 0.570 461 V N 2.635 122.487 119.914 -0.104 0.000 2.383 461 V HA 0.665 4.797 4.120 0.019 0.000 0.275 461 V C 0.146 175.973 176.094 -0.445 0.000 1.036 461 V CA -0.269 61.932 62.300 -0.164 0.000 0.889 461 V CB 1.134 32.883 31.823 -0.122 0.000 0.985 461 V HN 0.814 nan 8.190 nan 0.000 0.459 462 H N 2.687 121.803 119.070 0.076 0.000 3.012 462 H HA 0.419 4.986 4.556 0.019 0.000 0.367 462 H C -0.679 174.698 175.328 0.082 0.000 1.211 462 H CA -0.991 55.114 56.048 0.095 0.000 1.139 462 H CB 2.221 32.067 29.762 0.141 0.000 1.838 462 H HN 0.534 nan 8.280 nan 0.000 0.550 463 K N 1.181 121.724 120.400 0.239 0.000 2.355 463 K HA 0.331 4.663 4.320 0.019 0.000 0.270 463 K C -0.401 176.303 176.600 0.173 0.000 1.003 463 K CA -0.240 56.177 56.287 0.217 0.000 0.957 463 K CB 0.802 33.481 32.500 0.298 0.000 0.939 463 K HN 0.101 nan 8.250 nan 0.000 0.482 464 V N 3.876 123.783 119.914 -0.011 0.000 2.531 464 V HA 0.358 4.489 4.120 0.019 0.000 0.301 464 V C -0.957 174.859 176.094 -0.463 0.000 1.034 464 V CA -0.792 61.399 62.300 -0.181 0.000 0.865 464 V CB 0.961 32.610 31.823 -0.290 0.000 0.995 464 V HN 0.533 nan 8.190 nan 0.000 0.424 465 F N 4.185 123.848 119.950 -0.478 0.000 2.436 465 F HA 0.643 5.182 4.527 0.020 0.000 0.340 465 F C -0.352 175.082 175.800 -0.610 0.000 1.113 465 F CA -0.481 57.270 58.000 -0.414 0.000 1.022 465 F CB 1.581 40.384 39.000 -0.328 0.000 1.128 465 F HN 0.331 nan 8.300 nan 0.000 0.466 466 F N 3.281 123.239 119.950 0.012 0.000 2.332 466 F HA 0.497 5.035 4.527 0.019 0.000 0.368 466 F C -0.354 175.148 175.800 -0.498 0.000 1.110 466 F CA -1.087 56.817 58.000 -0.160 0.000 1.087 466 F CB 0.970 39.995 39.000 0.041 0.000 1.235 466 F HN -0.014 nan 8.300 nan 0.000 0.470 467 V N 4.620 124.390 119.914 -0.240 0.000 2.398 467 V HA 0.388 4.520 4.120 0.019 0.000 0.286 467 V C -0.434 175.547 176.094 -0.187 0.000 1.026 467 V CA -0.831 61.314 62.300 -0.259 0.000 0.868 467 V CB 1.003 32.785 31.823 -0.068 0.000 0.982 467 V HN 0.338 nan 8.190 nan 0.000 0.443 468 F N 2.819 122.918 119.950 0.248 0.000 2.420 468 F HA 0.719 5.258 4.527 0.019 0.000 0.342 468 F C 0.656 176.542 175.800 0.144 0.000 1.113 468 F CA -0.710 57.426 58.000 0.227 0.000 1.059 468 F CB 1.809 40.877 39.000 0.112 0.000 1.128 468 F HN 0.559 nan 8.300 nan 0.000 0.475 469 T N -0.362 114.402 114.554 0.350 0.000 2.896 469 T HA 0.967 5.329 4.350 0.019 0.000 0.297 469 T C -0.420 174.396 174.700 0.194 0.000 1.108 469 T CA -0.657 61.564 62.100 0.202 0.000 1.004 469 T CB 2.015 70.961 68.868 0.129 0.000 1.159 469 T HN 1.161 nan 8.240 nan 0.000 0.499 470 G N 0.721 109.589 108.800 0.115 0.000 2.313 470 G HA2 0.538 4.510 3.960 0.019 0.000 0.296 470 G HA3 0.538 4.510 3.960 0.019 0.000 0.296 470 G C -0.938 173.990 174.900 0.048 0.000 1.356 470 G CA -0.281 44.873 45.100 0.091 0.000 0.833 470 G HN 1.132 nan 8.290 nan 0.000 0.552 471 T N -1.436 113.138 114.554 0.033 0.000 2.950 471 T HA 0.890 5.252 4.350 0.019 0.000 0.288 471 T C 0.660 175.363 174.700 0.006 0.000 1.035 471 T CA 0.272 62.382 62.100 0.016 0.000 1.028 471 T CB 1.411 70.286 68.868 0.012 0.000 1.109 471 T HN 2.628 nan 8.240 nan 0.000 0.514 472 G N 0.529 109.328 108.800 -0.002 0.000 2.755 472 G HA2 0.188 4.160 3.960 0.019 0.000 0.686 472 G HA3 0.188 4.160 3.960 0.019 0.000 0.686 472 G C -0.217 174.672 174.900 -0.018 0.000 1.427 472 G CA -0.335 44.759 45.100 -0.010 0.000 0.873 472 G HN 1.404 nan 8.290 nan 0.000 0.580 473 T N -0.285 114.256 114.554 -0.022 0.000 2.940 473 T HA 0.806 5.168 4.350 0.019 0.000 0.288 473 T C 1.430 176.110 174.700 -0.035 0.000 1.033 473 T CA 0.571 62.652 62.100 -0.031 0.000 1.033 473 T CB 1.750 70.602 68.868 -0.026 0.000 1.079 473 T HN 1.854 nan 8.240 nan 0.000 0.496 474 G N 1.955 110.729 108.800 -0.043 0.000 2.728 474 G HA2 0.146 4.117 3.960 0.019 0.000 0.223 474 G HA3 0.146 4.117 3.960 0.019 0.000 0.223 474 G C 0.406 175.257 174.900 -0.081 0.000 1.379 474 G CA -0.272 44.797 45.100 -0.052 0.000 0.870 474 G HN 0.761 nan 8.290 nan 0.000 0.591 475 N N 0.959 119.603 118.700 -0.093 0.000 2.411 475 N HA 0.243 4.994 4.740 0.019 0.000 0.259 475 N C 1.470 176.873 175.510 -0.178 0.000 1.103 475 N CA -0.098 52.863 53.050 -0.147 0.000 0.954 475 N CB 0.922 39.334 38.487 -0.125 0.000 1.085 475 N HN 0.138 nan 8.380 nan 0.000 0.485 476 L N 2.683 123.734 121.223 -0.287 0.000 2.056 476 L HA 0.068 4.419 4.340 0.019 0.000 0.207 476 L C -0.024 176.770 176.870 -0.127 0.000 1.078 476 L CA 0.795 55.483 54.840 -0.253 0.000 0.749 476 L CB -0.519 41.305 42.059 -0.393 0.000 0.901 476 L HN 0.602 nan 8.230 nan 0.000 0.433 477 F N -4.118 115.719 119.950 -0.188 0.000 2.769 477 F HA 0.444 4.983 4.527 0.019 0.000 0.313 477 F C -1.142 174.498 175.800 -0.265 0.000 1.146 477 F CA -1.611 56.243 58.000 -0.242 0.000 0.934 477 F CB 0.419 39.273 39.000 -0.244 0.000 1.283 477 F HN -0.321 nan 8.300 nan 0.000 0.443 478 N N 1.012 119.666 118.700 -0.076 0.000 2.456 478 N HA 0.597 5.348 4.740 0.019 0.000 0.296 478 N C -1.953 173.686 175.510 0.215 0.000 1.102 478 N CA -0.278 52.677 53.050 -0.159 0.000 0.924 478 N CB 2.008 40.156 38.487 -0.565 0.000 1.186 478 N HN 0.655 nan 8.380 nan 0.000 0.492 479 F N 1.329 121.354 119.950 0.124 0.000 2.617 479 F HA 0.259 4.798 4.527 0.020 0.000 0.325 479 F C 0.017 175.959 175.800 0.237 0.000 1.179 479 F CA -1.335 56.795 58.000 0.218 0.000 0.965 479 F CB 1.299 40.388 39.000 0.149 0.000 1.232 479 F HN 0.458 nan 8.300 nan 0.000 0.461 480 D N 4.319 124.862 120.400 0.239 0.000 2.929 480 D HA 0.159 4.810 4.640 0.019 0.000 0.291 480 D C -0.727 175.543 176.300 -0.050 0.000 1.086 480 D CA 1.279 55.309 54.000 0.050 0.000 0.971 480 D CB 0.409 41.089 40.800 -0.200 0.000 1.275 480 D HN 0.384 nan 8.370 nan 0.000 0.469 481 Y N -1.767 118.477 120.300 -0.092 0.000 2.689 481 Y HA 0.577 5.138 4.550 0.019 0.000 0.333 481 Y C -1.540 174.371 175.900 0.019 0.000 1.208 481 Y CA -1.766 56.208 58.100 -0.210 0.000 1.055 481 Y CB 0.465 38.790 38.460 -0.226 0.000 1.304 481 Y HN 0.057 nan 8.280 nan 0.000 0.455 482 W N 0.878 122.263 121.300 0.140 0.000 3.047 482 W HA 0.803 5.475 4.660 0.020 0.000 0.341 482 W C -2.175 174.421 176.519 0.129 0.000 1.225 482 W CA -1.049 56.300 57.345 0.007 0.000 1.150 482 W CB 2.017 31.454 29.460 -0.038 0.000 1.470 482 W HN 0.969 nan 8.180 nan 0.000 0.578 483 Q N 1.252 121.268 119.800 0.360 0.000 2.378 483 Q HA 0.362 4.713 4.340 0.019 0.000 0.262 483 Q C -2.233 173.993 176.000 0.376 0.000 0.978 483 Q CA -0.455 55.579 55.803 0.385 0.000 0.918 483 Q CB 2.489 31.363 28.738 0.227 0.000 1.415 483 Q HN 0.410 nan 8.270 nan 0.000 0.409 484 F N 0.998 121.325 119.950 0.627 0.000 2.378 484 F HA 0.495 5.033 4.527 0.019 0.000 0.325 484 F C 1.001 177.164 175.800 0.606 0.000 1.097 484 F CA -0.021 58.360 58.000 0.634 0.000 1.079 484 F CB 1.688 41.087 39.000 0.665 0.000 1.240 484 F HN 0.473 nan 8.300 nan 0.000 0.519 485 T N -0.724 114.251 114.554 0.701 0.000 2.918 485 T HA 0.435 4.797 4.350 0.019 0.000 0.286 485 T C -0.676 174.240 174.700 0.359 0.000 1.026 485 T CA -1.071 61.302 62.100 0.456 0.000 1.031 485 T CB 1.374 70.398 68.868 0.260 0.000 1.046 485 T HN 0.550 nan 8.240 nan 0.000 0.479 486 Q N 1.446 121.230 119.800 -0.027 0.000 2.293 486 Q HA 0.342 4.693 4.340 0.019 0.000 0.251 486 Q C 0.557 176.535 176.000 -0.037 0.000 0.930 486 Q CA -0.645 54.999 55.803 -0.263 0.000 0.893 486 Q CB 1.355 29.787 28.738 -0.510 0.000 1.215 486 Q HN 0.525 nan 8.270 nan 0.000 0.425 487 R N 0.000 120.507 120.500 0.011 0.000 2.786 487 R HA 0.000 4.351 4.340 0.019 0.000 0.208 487 R CA 0.000 56.116 56.100 0.027 0.000 0.921 487 R CB 0.000 30.326 30.300 0.044 0.000 0.687 487 R HN 0.000 nan 8.270 nan 0.000 0.535