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 2gb3_1_D DATA FIRST_RESID 2 DATA SEQUENCE DVFSDRVLLT EESPIRKLVP FAEXAKKRGV RIHHLNIGQP DLKTPEVFFE DATA SEQUENCE RIYENKPEVV YYSHSAGIWE LREAFASYYK RRQRVDVKPE NVLVTNGGSE DATA SEQUENCE AILFSFAVIA NPGDEILVLE PFYANYNAFA KIAGVKLIPV TRRXEEGFAI DATA SEQUENCE PQNLESFINE RTKGIVLSNP CNPTGVVYGK DEXRYLVEIA ERHGLFLIVD DATA SEQUENCE EVYSEIVFRG EFASALSIES DKVVVIDSVS XKFSACGARV GCLITRNEEL DATA SEQUENCE ISHAXKLAQG RLAPPLLEQI GSVGLLNLDD SFFDFVRETY RERVETVLKK DATA SEQUENCE LEEHGLKRFT KPSGAFYITA ELPVEDAEEF ARWXLTDFNX DGETTXVAPL DATA SEQUENCE RGFYLTPGLG KKEIRIACVL EKDLLSRAID VLXEGLKXF 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 2 D HA 0.000 nan 4.640 nan 0.000 0.175 2 D C 0.000 176.075 176.300 -0.376 0.000 2.045 2 D CA 0.000 53.822 54.000 -0.297 0.000 0.868 2 D CB 0.000 40.587 40.800 -0.356 0.000 0.688 3 V N 0.114 119.816 119.914 -0.353 0.000 2.372 3 V HA 0.633 4.754 4.120 0.003 0.000 0.261 3 V C -0.195 175.712 176.094 -0.312 0.000 1.055 3 V CA -0.052 62.118 62.300 -0.218 0.000 0.930 3 V CB -0.569 31.188 31.823 -0.111 0.000 1.031 3 V HN 0.208 nan 8.190 nan 0.000 0.479 4 F N 2.876 122.831 119.950 0.008 0.000 2.457 4 F HA 0.685 5.213 4.527 0.002 0.000 0.330 4 F C 1.195 177.001 175.800 0.010 0.000 1.069 4 F CA -0.368 57.637 58.000 0.008 0.000 1.009 4 F CB 1.687 40.691 39.000 0.007 0.000 1.276 4 F HN 0.721 nan 8.300 nan 0.000 0.492 5 S N -0.105 115.733 115.700 0.231 0.000 2.576 5 S HA 0.071 4.543 4.470 0.003 0.000 0.276 5 S C 0.375 175.036 174.600 0.102 0.000 1.339 5 S CA -0.727 57.548 58.200 0.126 0.000 1.039 5 S CB 0.808 64.070 63.200 0.103 0.000 0.902 5 S HN 0.550 nan 8.310 nan 0.000 0.516 6 D N 1.578 122.021 120.400 0.071 0.000 2.123 6 D HA -0.153 4.489 4.640 0.003 0.000 0.196 6 D C 1.958 178.285 176.300 0.045 0.000 0.992 6 D CA 1.312 55.344 54.000 0.055 0.000 0.833 6 D CB -0.368 40.458 40.800 0.044 0.000 0.954 6 D HN 0.714 nan 8.370 nan 0.000 0.455 7 R N 0.445 120.972 120.500 0.045 0.000 2.159 7 R HA -0.193 4.149 4.340 0.003 0.000 0.252 7 R C 1.976 178.287 176.300 0.019 0.000 1.144 7 R CA 1.562 57.683 56.100 0.035 0.000 0.961 7 R CB -0.496 29.830 30.300 0.043 0.000 0.877 7 R HN 0.191 nan 8.270 nan 0.000 0.444 8 V N 0.187 120.112 119.914 0.019 0.000 3.307 8 V HA 0.029 4.150 4.120 0.003 0.000 0.253 8 V C 1.904 177.981 176.094 -0.028 0.000 1.149 8 V CA 0.583 62.873 62.300 -0.018 0.000 1.112 8 V CB 0.202 32.001 31.823 -0.040 0.000 0.777 8 V HN 0.293 nan 8.190 nan 0.000 0.464 9 L N -0.701 120.527 121.223 0.009 0.000 2.109 9 L HA -0.071 4.270 4.340 0.003 0.000 0.207 9 L C 2.462 179.335 176.870 0.006 0.000 1.086 9 L CA 1.034 55.881 54.840 0.012 0.000 0.760 9 L CB -0.560 41.531 42.059 0.054 0.000 0.910 9 L HN 0.278 nan 8.230 nan 0.000 0.437 10 L N -1.636 119.595 121.223 0.012 0.000 2.395 10 L HA 0.012 4.354 4.340 0.003 0.000 0.218 10 L C 1.139 178.009 176.870 0.000 0.000 1.130 10 L CA 0.653 55.500 54.840 0.012 0.000 0.826 10 L CB -1.505 40.566 42.059 0.020 0.000 0.941 10 L HN 0.291 nan 8.230 nan 0.000 0.451 11 T N 0.820 115.366 114.554 -0.013 0.000 2.743 11 T HA 0.429 4.780 4.350 0.003 0.000 0.290 11 T C 0.483 175.162 174.700 -0.035 0.000 0.908 11 T CA 0.326 62.409 62.100 -0.028 0.000 1.092 11 T CB 0.296 69.137 68.868 -0.045 0.000 0.882 11 T HN 0.649 nan 8.240 nan 0.000 0.531 12 E N 2.749 122.932 120.200 -0.028 0.000 2.349 12 E HA 0.277 4.628 4.350 0.003 0.000 0.262 12 E C 0.040 176.615 176.600 -0.041 0.000 1.088 12 E CA -0.753 55.632 56.400 -0.026 0.000 0.899 12 E CB 0.463 30.156 29.700 -0.012 0.000 1.044 12 E HN 0.803 nan 8.360 nan 0.000 0.420 13 E N 0.052 120.230 120.200 -0.036 0.000 2.366 13 E HA 0.455 4.807 4.350 0.003 0.000 0.266 13 E C 0.377 176.950 176.600 -0.045 0.000 1.051 13 E CA 0.292 56.665 56.400 -0.046 0.000 0.884 13 E CB 0.621 30.299 29.700 -0.036 0.000 1.006 13 E HN 0.830 nan 8.360 nan 0.000 0.417 14 S N 4.291 119.949 115.700 -0.070 0.000 2.593 14 S HA 0.007 4.479 4.470 0.003 0.000 0.300 14 S C -1.595 172.985 174.600 -0.033 0.000 1.267 14 S CA -0.886 57.264 58.200 -0.084 0.000 1.065 14 S CB -0.047 63.082 63.200 -0.118 0.000 0.807 14 S HN 0.388 nan 8.310 nan 0.000 0.499 15 P HA -0.088 nan 4.420 nan 0.000 0.219 15 P C 0.852 178.177 177.300 0.042 0.000 1.146 15 P CA 0.728 63.841 63.100 0.021 0.000 0.808 15 P CB 0.096 31.814 31.700 0.030 0.000 0.779 16 I N -1.097 119.491 120.570 0.031 0.000 2.193 16 I HA -0.234 3.938 4.170 0.003 0.000 0.240 16 I C 2.916 179.068 176.117 0.059 0.000 1.084 16 I CA 1.687 63.022 61.300 0.058 0.000 1.365 16 I CB -0.866 37.170 38.000 0.059 0.000 1.064 16 I HN -0.165 nan 8.210 nan 0.000 0.410 17 R N 1.505 122.022 120.500 0.029 0.000 2.120 17 R HA -0.137 4.205 4.340 0.003 0.000 0.234 17 R C 2.359 178.691 176.300 0.055 0.000 1.123 17 R CA 1.858 57.975 56.100 0.029 0.000 0.975 17 R CB -1.844 28.452 30.300 -0.007 0.000 0.866 17 R HN 0.517 nan 8.270 nan 0.000 0.446 18 K N 0.858 121.301 120.400 0.072 0.000 2.442 18 K HA 0.240 4.562 4.320 0.003 0.000 0.198 18 K C 2.056 178.807 176.600 0.251 0.000 1.042 18 K CA 1.341 57.705 56.287 0.128 0.000 0.958 18 K CB -0.504 32.069 32.500 0.122 0.000 0.766 18 K HN 0.547 nan 8.250 nan 0.000 0.474 19 L N -0.153 121.195 121.223 0.209 0.000 2.529 19 L HA 0.017 4.358 4.340 0.003 0.000 0.223 19 L C 2.210 179.227 176.870 0.245 0.000 1.113 19 L CA 0.048 55.056 54.840 0.279 0.000 0.861 19 L CB 0.130 42.269 42.059 0.134 0.000 1.012 19 L HN 0.102 nan 8.230 nan 0.000 0.461 20 V N 0.849 120.848 119.914 0.142 0.000 2.332 20 V HA -0.167 3.955 4.120 0.003 0.000 0.248 20 V C -0.101 176.013 176.094 0.033 0.000 1.055 20 V CA 1.970 64.321 62.300 0.086 0.000 1.038 20 V CB -1.518 30.335 31.823 0.051 0.000 0.651 20 V HN 0.363 nan 8.190 nan 0.000 0.450 21 P HA -0.114 nan 4.420 nan 0.000 0.217 21 P C 1.528 178.688 177.300 -0.233 0.000 1.150 21 P CA 1.517 64.493 63.100 -0.206 0.000 0.832 21 P CB -0.135 31.330 31.700 -0.392 0.000 0.787 22 F N -0.227 119.721 119.950 -0.003 0.000 2.259 22 F HA 0.001 4.530 4.527 0.002 0.000 0.298 22 F C 2.455 178.241 175.800 -0.024 0.000 1.088 22 F CA 1.020 59.012 58.000 -0.014 0.000 1.358 22 F CB -1.365 37.628 39.000 -0.011 0.000 1.040 22 F HN -0.111 nan 8.300 nan 0.000 0.505 23 A N 0.257 123.166 122.820 0.149 0.000 1.872 23 A HA 0.022 4.343 4.320 0.003 0.000 0.214 23 A C 1.673 179.280 177.584 0.039 0.000 1.187 23 A CA 1.238 53.319 52.037 0.073 0.000 0.614 23 A CB -1.304 17.745 19.000 0.081 0.000 0.826 23 A HN 0.317 nan 8.150 nan 0.000 0.442 27 K N 0.247 120.633 120.400 -0.023 0.000 2.148 27 K HA 0.101 4.422 4.320 0.003 0.000 0.204 27 K C 2.244 178.829 176.600 -0.025 0.000 1.050 27 K CA 2.671 58.944 56.287 -0.023 0.000 0.942 27 K CB -1.432 31.065 32.500 -0.005 0.000 0.724 27 K HN 1.159 nan 8.250 nan 0.000 0.446 28 K N 1.078 121.465 120.400 -0.022 0.000 2.147 28 K HA -0.047 4.275 4.320 0.003 0.000 0.205 28 K C 2.173 178.756 176.600 -0.028 0.000 1.049 28 K CA 1.560 57.833 56.287 -0.023 0.000 0.936 28 K CB -0.513 31.973 32.500 -0.022 0.000 0.722 28 K HN 0.580 nan 8.250 nan 0.000 0.446 29 R N -0.654 119.826 120.500 -0.033 0.000 2.323 29 R HA 0.054 4.396 4.340 0.003 0.000 0.198 29 R C 0.494 176.767 176.300 -0.045 0.000 0.988 29 R CA 0.793 56.870 56.100 -0.039 0.000 1.041 29 R CB -0.294 29.979 30.300 -0.046 0.000 0.926 29 R HN 0.594 nan 8.270 nan 0.000 0.476 30 G N 0.570 109.344 108.800 -0.043 0.000 2.370 30 G HA2 -0.182 3.779 3.960 0.003 0.000 0.268 30 G HA3 -0.182 3.779 3.960 0.003 0.000 0.268 30 G C -0.687 174.177 174.900 -0.059 0.000 1.122 30 G CA -0.006 45.066 45.100 -0.045 0.000 0.963 30 G HN 0.147 nan 8.290 nan 0.000 0.500 31 V N -0.160 119.715 119.914 -0.064 0.000 2.487 31 V HA 0.879 5.001 4.120 0.003 0.000 0.298 31 V C 0.763 176.801 176.094 -0.094 0.000 1.028 31 V CA -0.268 61.982 62.300 -0.083 0.000 0.860 31 V CB 1.498 33.267 31.823 -0.090 0.000 0.991 31 V HN 1.040 nan 8.190 nan 0.000 0.427 32 R N 5.051 125.481 120.500 -0.117 0.000 2.242 32 R HA 0.661 5.002 4.340 0.003 0.000 0.334 32 R C -0.480 175.663 176.300 -0.262 0.000 1.071 32 R CA -0.078 55.921 56.100 -0.169 0.000 0.922 32 R CB -0.086 30.108 30.300 -0.177 0.000 1.023 32 R HN 0.762 nan 8.270 nan 0.000 0.458 33 I N 3.539 123.957 120.570 -0.252 0.000 2.353 33 I HA 0.246 4.418 4.170 0.003 0.000 0.293 33 I C 0.002 175.885 176.117 -0.390 0.000 0.992 33 I CA -0.925 60.188 61.300 -0.312 0.000 1.268 33 I CB 1.516 39.306 38.000 -0.350 0.000 1.387 33 I HN 0.623 nan 8.210 nan 0.000 0.478 34 H N 5.655 124.642 119.070 -0.139 0.000 2.761 34 H HA 0.213 4.771 4.556 0.003 0.000 0.284 34 H C -0.631 174.638 175.328 -0.098 0.000 1.105 34 H CA -0.519 55.491 56.048 -0.063 0.000 1.352 34 H CB 0.172 29.922 29.762 -0.020 0.000 1.423 34 H HN 0.483 nan 8.280 nan 0.000 0.464 35 H N 3.960 123.092 119.070 0.104 0.000 3.089 35 H HA 0.080 4.638 4.556 0.003 0.000 0.262 35 H C 0.885 176.266 175.328 0.089 0.000 1.160 35 H CA -0.047 56.050 56.048 0.082 0.000 1.482 35 H CB 0.390 30.188 29.762 0.060 0.000 1.511 35 H HN 0.508 nan 8.280 nan 0.000 0.483 36 L N 2.562 123.886 121.223 0.169 0.000 3.014 36 L HA 0.098 4.440 4.340 0.003 0.000 0.263 36 L C 1.184 178.153 176.870 0.166 0.000 1.207 36 L CA -0.092 54.834 54.840 0.144 0.000 1.017 36 L CB 0.057 42.172 42.059 0.095 0.000 1.360 36 L HN 0.643 nan 8.230 nan 0.000 0.560 37 N N 0.594 119.407 118.700 0.187 0.000 2.325 37 N HA 0.108 4.849 4.740 0.003 0.000 0.182 37 N C 0.410 176.054 175.510 0.224 0.000 1.088 37 N CA 0.170 53.334 53.050 0.189 0.000 0.879 37 N CB 0.874 39.460 38.487 0.165 0.000 0.983 37 N HN 0.250 nan 8.380 nan 0.000 0.471 38 I N -0.097 120.613 120.570 0.234 0.000 2.530 38 I HA 0.353 4.524 4.170 0.003 0.000 0.297 38 I C 0.697 176.999 176.117 0.307 0.000 1.011 38 I CA -1.291 60.154 61.300 0.241 0.000 1.107 38 I CB 2.239 40.335 38.000 0.161 0.000 1.285 38 I HN -0.040 nan 8.210 nan 0.000 0.436 39 G N 3.220 112.267 108.800 0.412 0.000 3.414 39 G HA2 0.032 3.993 3.960 0.003 0.000 0.258 39 G HA3 0.032 3.993 3.960 0.003 0.000 0.258 39 G C 0.243 175.364 174.900 0.369 0.000 1.348 39 G CA -0.061 45.382 45.100 0.572 0.000 1.319 39 G HN 0.530 nan 8.290 nan 0.000 0.555 40 Q N 1.418 121.334 119.800 0.194 0.000 2.337 40 Q HA 0.373 4.715 4.340 0.003 0.000 0.255 40 Q C -2.443 173.570 176.000 0.022 0.000 0.997 40 Q CA -2.247 53.621 55.803 0.109 0.000 0.925 40 Q CB 1.163 29.941 28.738 0.068 0.000 1.212 40 Q HN 0.042 nan 8.270 nan 0.000 0.436 41 P HA 0.042 nan 4.420 nan 0.000 0.269 41 P C -0.485 176.808 177.300 -0.012 0.000 1.209 41 P CA -0.044 63.026 63.100 -0.050 0.000 0.776 41 P CB 0.711 32.441 31.700 0.051 0.000 0.876 42 D N 1.877 122.256 120.400 -0.035 0.000 2.349 42 D HA 0.003 4.645 4.640 0.003 0.000 0.214 42 D C 0.325 176.624 176.300 -0.001 0.000 1.063 42 D CA 0.253 54.242 54.000 -0.017 0.000 0.847 42 D CB -0.338 40.445 40.800 -0.029 0.000 0.933 42 D HN 0.242 nan 8.370 nan 0.000 0.513 43 L N 0.902 122.129 121.223 0.006 0.000 2.456 43 L HA 0.122 4.463 4.340 0.003 0.000 0.272 43 L C 1.008 177.930 176.870 0.085 0.000 1.189 43 L CA -0.400 54.468 54.840 0.046 0.000 0.846 43 L CB 0.585 42.680 42.059 0.060 0.000 1.111 43 L HN -0.109 nan 8.230 nan 0.000 0.475 44 K N 1.568 122.028 120.400 0.100 0.000 2.451 44 K HA 0.051 4.373 4.320 0.003 0.000 0.280 44 K C -0.375 176.308 176.600 0.139 0.000 1.020 44 K CA -0.295 56.056 56.287 0.105 0.000 1.008 44 K CB 0.535 33.087 32.500 0.087 0.000 0.917 44 K HN 0.531 nan 8.250 nan 0.000 0.478 45 T N 7.135 121.773 114.554 0.140 0.000 2.853 45 T HA 0.121 4.473 4.350 0.003 0.000 0.298 45 T C -2.340 172.441 174.700 0.134 0.000 0.978 45 T CA -1.006 61.150 62.100 0.093 0.000 1.152 45 T CB 0.683 69.561 68.868 0.016 0.000 0.914 45 T HN 0.490 nan 8.240 nan 0.000 0.539 46 P HA 0.193 nan 4.420 nan 0.000 0.264 46 P C 0.997 178.359 177.300 0.103 0.000 1.183 46 P CA 0.262 63.365 63.100 0.006 0.000 0.763 46 P CB 0.308 31.876 31.700 -0.219 0.000 0.807 47 E N 2.691 122.971 120.200 0.134 0.000 2.209 47 E HA -0.184 4.167 4.350 0.003 0.000 0.196 47 E C 1.835 178.537 176.600 0.169 0.000 0.993 47 E CA 1.691 58.225 56.400 0.223 0.000 0.819 47 E CB -1.260 28.502 29.700 0.104 0.000 0.745 47 E HN 0.342 nan 8.360 nan 0.000 0.477 48 V N -0.579 119.360 119.914 0.042 0.000 2.453 48 V HA -0.206 3.916 4.120 0.003 0.000 0.252 48 V C 2.209 178.286 176.094 -0.028 0.000 1.068 48 V CA 2.429 64.721 62.300 -0.014 0.000 1.070 48 V CB -0.539 31.234 31.823 -0.085 0.000 0.664 48 V HN 0.686 nan 8.190 nan 0.000 0.461 49 F N 0.507 120.325 119.950 -0.221 0.000 2.095 49 F HA -0.181 4.348 4.527 0.003 0.000 0.298 49 F C 1.815 177.413 175.800 -0.337 0.000 1.104 49 F CA 2.343 60.124 58.000 -0.365 0.000 1.232 49 F CB -0.426 38.236 39.000 -0.563 0.000 0.987 49 F HN 0.284 nan 8.300 nan 0.000 0.475 50 F N 0.252 120.224 119.950 0.037 0.000 2.234 50 F HA -0.024 4.505 4.527 0.003 0.000 0.296 50 F C 2.413 178.183 175.800 -0.050 0.000 1.089 50 F CA 1.147 59.127 58.000 -0.035 0.000 1.343 50 F CB -0.998 38.026 39.000 0.040 0.000 1.040 50 F HN -0.027 nan 8.300 nan 0.000 0.498 51 E N 0.762 121.047 120.200 0.142 0.000 2.051 51 E HA -0.167 4.185 4.350 0.003 0.000 0.192 51 E C 2.293 178.930 176.600 0.062 0.000 0.991 51 E CA 1.296 57.755 56.400 0.098 0.000 0.799 51 E CB -0.065 29.670 29.700 0.059 0.000 0.748 51 E HN -0.017 nan 8.360 nan 0.000 0.449 52 R N 0.183 120.659 120.500 -0.039 0.000 2.091 52 R HA -0.092 4.250 4.340 0.003 0.000 0.238 52 R C 2.566 178.806 176.300 -0.099 0.000 1.136 52 R CA 1.389 57.438 56.100 -0.085 0.000 0.959 52 R CB -0.843 29.368 30.300 -0.149 0.000 0.856 52 R HN 0.382 nan 8.270 nan 0.000 0.437 53 I N -0.438 120.041 120.570 -0.152 0.000 2.179 53 I HA -0.313 3.858 4.170 0.003 0.000 0.242 53 I C 2.378 178.485 176.117 -0.017 0.000 1.088 53 I CA 1.309 62.525 61.300 -0.140 0.000 1.357 53 I CB -0.419 37.454 38.000 -0.211 0.000 1.051 53 I HN 0.063 nan 8.210 nan 0.000 0.409 54 Y N 2.139 122.402 120.300 -0.062 0.000 2.181 54 Y HA -0.290 4.262 4.550 0.003 0.000 0.288 54 Y C 2.593 178.473 175.900 -0.033 0.000 1.146 54 Y CA 2.044 60.126 58.100 -0.030 0.000 1.164 54 Y CB -0.219 38.239 38.460 -0.003 0.000 0.982 54 Y HN 0.323 nan 8.280 nan 0.000 0.515 55 E N -1.131 119.080 120.200 0.017 0.000 2.208 55 E HA -0.132 4.219 4.350 0.003 0.000 0.193 55 E C 0.173 176.717 176.600 -0.094 0.000 0.988 55 E CA 1.105 57.471 56.400 -0.056 0.000 0.828 55 E CB -0.276 29.439 29.700 0.025 0.000 0.763 55 E HN 0.347 nan 8.360 nan 0.000 0.478 56 N N 1.499 120.148 118.700 -0.084 0.000 2.610 56 N HA 0.083 4.825 4.740 0.003 0.000 0.309 56 N C -1.115 174.342 175.510 -0.089 0.000 1.536 56 N CA -0.131 52.875 53.050 -0.074 0.000 0.954 56 N CB 0.959 39.413 38.487 -0.054 0.000 1.310 56 N HN 0.149 nan 8.380 nan 0.000 0.502 57 K N 2.435 122.763 120.400 -0.121 0.000 2.402 57 K HA 0.134 4.456 4.320 0.003 0.000 0.285 57 K C -2.133 174.418 176.600 -0.082 0.000 1.054 57 K CA -0.852 55.365 56.287 -0.116 0.000 1.001 57 K CB 0.482 32.886 32.500 -0.160 0.000 0.946 57 K HN 0.057 nan 8.250 nan 0.000 0.473 58 P HA 0.145 nan 4.420 nan 0.000 0.282 58 P C -0.374 176.912 177.300 -0.023 0.000 1.249 58 P CA -0.324 62.759 63.100 -0.027 0.000 0.806 58 P CB 1.212 32.873 31.700 -0.065 0.000 0.984 59 E N -0.041 120.168 120.200 0.014 0.000 2.204 59 E HA 0.018 4.369 4.350 0.003 0.000 0.194 59 E C 0.039 176.648 176.600 0.015 0.000 0.989 59 E CA 0.792 57.196 56.400 0.007 0.000 0.824 59 E CB 0.149 29.857 29.700 0.013 0.000 0.756 59 E HN 0.190 nan 8.360 nan 0.000 0.477 60 V N 1.632 121.578 119.914 0.054 0.000 2.483 60 V HA 0.119 4.240 4.120 0.003 0.000 0.297 60 V C -0.199 175.894 176.094 -0.002 0.000 1.027 60 V CA -0.685 61.650 62.300 0.059 0.000 0.855 60 V CB 2.053 33.952 31.823 0.127 0.000 0.995 60 V HN -0.160 nan 8.190 nan 0.000 0.424 61 V N 6.764 126.621 119.914 -0.096 0.000 2.229 61 V HA 0.161 4.282 4.120 0.003 0.000 0.245 61 V C -0.003 175.956 176.094 -0.224 0.000 1.243 61 V CA -0.317 61.845 62.300 -0.229 0.000 1.176 61 V CB -1.326 30.396 31.823 -0.169 0.000 1.323 61 V HN 0.800 nan 8.190 nan 0.000 0.499 62 Y N 2.381 122.629 120.300 -0.086 0.000 2.334 62 Y HA 0.679 5.231 4.550 0.003 0.000 0.325 62 Y C -0.237 175.618 175.900 -0.074 0.000 1.308 62 Y CA -2.215 55.822 58.100 -0.105 0.000 1.389 62 Y CB 0.133 38.585 38.460 -0.014 0.000 1.328 62 Y HN 0.359 nan 8.280 nan 0.000 0.532 63 Y N 1.346 121.814 120.300 0.281 0.000 2.402 63 Y HA 0.271 4.823 4.550 0.003 0.000 0.333 63 Y C 1.043 177.133 175.900 0.318 0.000 1.076 63 Y CA -0.141 58.076 58.100 0.195 0.000 1.299 63 Y CB 0.407 38.937 38.460 0.116 0.000 1.197 63 Y HN 0.818 nan 8.280 nan 0.000 0.517 64 S N 2.693 118.643 115.700 0.418 0.000 2.640 64 S HA 0.108 4.579 4.470 0.003 0.000 0.262 64 S C 0.032 174.809 174.600 0.295 0.000 1.232 64 S CA -0.834 57.605 58.200 0.399 0.000 0.988 64 S CB 0.338 63.721 63.200 0.303 0.000 1.034 64 S HN 0.788 nan 8.310 nan 0.000 0.569 65 H N 0.339 119.521 119.070 0.187 0.000 2.897 65 H HA 0.108 4.666 4.556 0.003 0.000 0.347 65 H C 1.202 176.602 175.328 0.121 0.000 1.068 65 H CA 0.829 56.957 56.048 0.132 0.000 1.426 65 H CB 0.627 30.472 29.762 0.138 0.000 1.410 65 H HN 0.719 nan 8.280 nan 0.000 0.597 66 S N 3.526 119.082 115.700 -0.240 0.000 2.374 66 S HA -0.208 4.263 4.470 0.003 0.000 0.227 66 S C 2.075 176.750 174.600 0.125 0.000 1.037 66 S CA 1.358 59.518 58.200 -0.066 0.000 1.024 66 S CB -0.192 62.901 63.200 -0.180 0.000 0.861 66 S HN 0.737 nan 8.310 nan 0.000 0.456 67 A N 0.608 123.632 122.820 0.341 0.000 2.206 67 A HA 0.496 4.818 4.320 0.003 0.000 0.211 67 A C 1.114 178.841 177.584 0.239 0.000 1.158 67 A CA 0.829 53.040 52.037 0.289 0.000 0.761 67 A CB -0.683 18.509 19.000 0.319 0.000 0.801 67 A HN 0.916 nan 8.150 nan 0.000 0.473 68 G N -0.802 108.169 108.800 0.284 0.000 2.497 68 G HA2 0.092 4.054 3.960 0.003 0.000 0.686 68 G HA3 0.092 4.054 3.960 0.003 0.000 0.686 68 G C -0.195 174.848 174.900 0.238 0.000 1.288 68 G CA -0.574 44.659 45.100 0.222 0.000 0.899 68 G HN 1.189 nan 8.290 nan 0.000 0.608 69 I N -1.050 119.643 120.570 0.205 0.000 2.710 69 I HA 0.117 4.288 4.170 0.003 0.000 0.286 69 I C 1.596 177.831 176.117 0.198 0.000 1.181 69 I CA -0.570 60.858 61.300 0.214 0.000 1.430 69 I CB 0.621 38.724 38.000 0.171 0.000 1.367 69 I HN 0.788 nan 8.210 nan 0.000 0.577 70 W N 5.766 127.090 121.300 0.039 0.000 2.321 70 W HA -0.226 4.436 4.660 0.003 0.000 0.306 70 W C 1.718 178.260 176.519 0.037 0.000 1.217 70 W CA 2.131 59.483 57.345 0.010 0.000 1.257 70 W CB 0.072 29.520 29.460 -0.020 0.000 1.145 70 W HN 0.760 nan 8.180 nan 0.000 0.509 71 E N 0.176 120.427 120.200 0.085 0.000 2.153 71 E HA -0.258 4.093 4.350 0.003 0.000 0.194 71 E C 2.022 178.574 176.600 -0.080 0.000 0.988 71 E CA 1.377 57.769 56.400 -0.013 0.000 0.811 71 E CB -0.537 29.198 29.700 0.058 0.000 0.746 71 E HN 0.180 nan 8.360 nan 0.000 0.466 72 L N 1.144 122.348 121.223 -0.031 0.000 2.156 72 L HA -0.081 4.261 4.340 0.003 0.000 0.208 72 L C 2.024 178.927 176.870 0.056 0.000 1.095 72 L CA 1.488 56.321 54.840 -0.012 0.000 0.770 72 L CB -0.069 42.030 42.059 0.067 0.000 0.914 72 L HN -0.105 nan 8.230 nan 0.000 0.439 73 R N -0.426 120.052 120.500 -0.037 0.000 2.096 73 R HA -0.133 4.209 4.340 0.003 0.000 0.235 73 R C 2.090 178.281 176.300 -0.182 0.000 1.127 73 R CA 1.659 57.703 56.100 -0.094 0.000 0.968 73 R CB -0.329 29.790 30.300 -0.301 0.000 0.861 73 R HN 0.506 nan 8.270 nan 0.000 0.440 74 E N 0.543 120.533 120.200 -0.351 0.000 2.106 74 E HA -0.126 4.225 4.350 0.003 0.000 0.192 74 E C 2.083 178.640 176.600 -0.070 0.000 0.984 74 E CA 0.956 57.203 56.400 -0.256 0.000 0.806 74 E CB -0.061 29.473 29.700 -0.275 0.000 0.750 74 E HN 0.348 nan 8.360 nan 0.000 0.458 75 A N 0.869 123.646 122.820 -0.071 0.000 1.877 75 A HA -0.185 4.137 4.320 0.003 0.000 0.216 75 A C 1.886 179.470 177.584 -0.000 0.000 1.186 75 A CA 1.238 53.231 52.037 -0.074 0.000 0.620 75 A CB -0.767 18.119 19.000 -0.190 0.000 0.822 75 A HN 0.166 nan 8.150 nan 0.000 0.443 76 F N 0.144 120.134 119.950 0.067 0.000 2.134 76 F HA -0.078 4.451 4.527 0.003 0.000 0.299 76 F C 2.813 178.780 175.800 0.277 0.000 1.097 76 F CA 1.027 59.140 58.000 0.187 0.000 1.264 76 F CB -0.588 38.492 39.000 0.134 0.000 1.001 76 F HN 0.261 nan 8.300 nan 0.000 0.479 77 A N -0.592 122.409 122.820 0.301 0.000 1.883 77 A HA -0.196 4.125 4.320 0.003 0.000 0.217 77 A C 2.394 180.104 177.584 0.209 0.000 1.186 77 A CA 2.234 54.391 52.037 0.200 0.000 0.624 77 A CB -1.174 17.856 19.000 0.051 0.000 0.822 77 A HN 0.320 nan 8.150 nan 0.000 0.444 78 S N -1.740 114.052 115.700 0.154 0.000 2.382 78 S HA -0.149 4.323 4.470 0.003 0.000 0.228 78 S C 1.778 176.463 174.600 0.141 0.000 1.027 78 S CA 1.362 59.633 58.200 0.118 0.000 0.991 78 S CB -0.569 62.678 63.200 0.077 0.000 0.823 78 S HN 0.697 nan 8.310 nan 0.000 0.469 79 Y N 1.316 121.677 120.300 0.101 0.000 2.097 79 Y HA -0.276 4.275 4.550 0.003 0.000 0.282 79 Y C 1.985 177.890 175.900 0.009 0.000 1.152 79 Y CA 1.538 59.670 58.100 0.054 0.000 1.136 79 Y CB -0.763 37.739 38.460 0.070 0.000 0.975 79 Y HN 0.212 nan 8.280 nan 0.000 0.498 80 Y N 0.584 120.925 120.300 0.069 0.000 2.207 80 Y HA -0.229 4.323 4.550 0.003 0.000 0.287 80 Y C 2.698 178.541 175.900 -0.095 0.000 1.156 80 Y CA 2.566 60.648 58.100 -0.030 0.000 1.182 80 Y CB -0.795 37.744 38.460 0.132 0.000 0.979 80 Y HN 0.248 nan 8.280 nan 0.000 0.521 81 K N 0.627 121.075 120.400 0.080 0.000 2.031 81 K HA -0.094 4.228 4.320 0.003 0.000 0.205 81 K C 2.085 178.655 176.600 -0.050 0.000 1.049 81 K CA 1.503 57.807 56.287 0.028 0.000 0.939 81 K CB -0.861 31.667 32.500 0.046 0.000 0.717 81 K HN 0.390 nan 8.250 nan 0.000 0.438 82 R N -0.509 119.937 120.500 -0.089 0.000 2.062 82 R HA -0.035 4.306 4.340 0.003 0.000 0.231 82 R C 2.456 178.627 176.300 -0.215 0.000 1.136 82 R CA 1.170 57.202 56.100 -0.113 0.000 0.948 82 R CB 0.001 30.259 30.300 -0.071 0.000 0.845 82 R HN 0.244 nan 8.270 nan 0.000 0.430 83 R N -0.318 119.916 120.500 -0.443 0.000 2.090 83 R HA 0.072 4.414 4.340 0.003 0.000 0.219 83 R C 1.845 177.885 176.300 -0.433 0.000 1.100 83 R CA 0.910 56.665 56.100 -0.574 0.000 0.991 83 R CB 0.056 29.695 30.300 -1.101 0.000 0.893 83 R HN 0.316 nan 8.270 nan 0.000 0.443 84 Q N 0.397 119.940 119.800 -0.428 0.000 2.319 84 Q HA 0.162 4.504 4.340 0.003 0.000 0.202 84 Q C -0.163 175.816 176.000 -0.034 0.000 0.896 84 Q CA -0.091 55.615 55.803 -0.162 0.000 0.942 84 Q CB 0.443 29.122 28.738 -0.099 0.000 1.083 84 Q HN 0.225 nan 8.270 nan 0.000 0.510 85 R N -0.342 120.124 120.500 -0.056 0.000 3.525 85 R HA -0.129 4.212 4.340 0.003 0.000 0.276 85 R C -0.845 175.473 176.300 0.030 0.000 1.116 85 R CA 0.288 56.380 56.100 -0.012 0.000 0.745 85 R CB -2.357 27.935 30.300 -0.013 0.000 1.185 85 R HN -0.045 nan 8.270 nan 0.000 0.454 86 V N 0.735 120.694 119.914 0.074 0.000 2.540 86 V HA 0.213 4.335 4.120 0.003 0.000 0.302 86 V C 0.043 176.190 176.094 0.089 0.000 1.035 86 V CA -0.758 61.602 62.300 0.100 0.000 0.873 86 V CB 2.175 34.114 31.823 0.193 0.000 0.992 86 V HN 0.041 nan 8.190 nan 0.000 0.428 87 D N 4.005 124.437 120.400 0.053 0.000 2.393 87 D HA 0.396 5.037 4.640 0.003 0.000 0.232 87 D C -0.140 176.179 176.300 0.031 0.000 1.192 87 D CA 0.258 54.283 54.000 0.043 0.000 0.882 87 D CB 1.253 42.071 40.800 0.030 0.000 1.038 87 D HN 0.442 nan 8.370 nan 0.000 0.499 88 V N -0.087 119.850 119.914 0.039 0.000 2.769 88 V HA 0.636 4.758 4.120 0.003 0.000 0.312 88 V C -0.099 176.005 176.094 0.017 0.000 1.061 88 V CA -1.162 61.142 62.300 0.007 0.000 0.931 88 V CB 2.098 33.895 31.823 -0.042 0.000 1.010 88 V HN 0.285 nan 8.190 nan 0.000 0.433 89 K N 2.336 122.738 120.400 0.002 0.000 2.166 89 K HA 0.662 4.983 4.320 0.003 0.000 0.245 89 K C -2.439 174.139 176.600 -0.038 0.000 0.967 89 K CA -1.892 54.398 56.287 0.004 0.000 0.863 89 K CB 1.609 34.128 32.500 0.032 0.000 1.107 89 K HN 0.286 nan 8.250 nan 0.000 0.436 90 P HA -0.168 nan 4.420 nan 0.000 0.218 90 P C 0.296 177.503 177.300 -0.154 0.000 1.148 90 P CA 1.269 64.207 63.100 -0.271 0.000 0.822 90 P CB 0.150 31.404 31.700 -0.743 0.000 0.784 91 E N -0.771 119.426 120.200 -0.006 0.000 2.333 91 E HA -0.128 4.224 4.350 0.003 0.000 0.198 91 E C 1.274 177.885 176.600 0.018 0.000 1.007 91 E CA 0.935 57.375 56.400 0.066 0.000 0.845 91 E CB -1.028 28.737 29.700 0.108 0.000 0.766 91 E HN 0.472 nan 8.360 nan 0.000 0.507 92 N N -0.447 118.244 118.700 -0.014 0.000 2.412 92 N HA 0.031 4.773 4.740 0.003 0.000 0.184 92 N C -0.633 174.841 175.510 -0.060 0.000 1.101 92 N CA -0.140 52.891 53.050 -0.031 0.000 0.881 92 N CB 0.745 39.208 38.487 -0.041 0.000 0.969 92 N HN -0.089 nan 8.380 nan 0.000 0.459 93 V N 1.789 121.663 119.914 -0.068 0.000 2.427 93 V HA 0.342 4.463 4.120 0.003 0.000 0.286 93 V C -0.552 175.505 176.094 -0.063 0.000 1.034 93 V CA -0.762 61.479 62.300 -0.098 0.000 0.893 93 V CB 1.834 33.603 31.823 -0.090 0.000 0.982 93 V HN 0.032 nan 8.190 nan 0.000 0.452 94 L N 6.093 127.270 121.223 -0.078 0.000 2.372 94 L HA 0.580 4.921 4.340 0.003 0.000 0.273 94 L C -0.367 176.479 176.870 -0.041 0.000 0.989 94 L CA -0.022 54.809 54.840 -0.015 0.000 0.841 94 L CB 1.705 43.772 42.059 0.013 0.000 1.225 94 L HN 0.455 nan 8.230 nan 0.000 0.414 95 V N 3.925 123.844 119.914 0.008 0.000 2.637 95 V HA 0.534 4.656 4.120 0.003 0.000 0.296 95 V C 0.719 176.849 176.094 0.061 0.000 1.046 95 V CA 0.314 62.622 62.300 0.014 0.000 1.066 95 V CB 0.961 32.854 31.823 0.117 0.000 0.968 95 V HN 0.929 nan 8.190 nan 0.000 0.483 96 T N 1.022 115.590 114.554 0.024 0.000 2.864 96 T HA 0.408 4.759 4.350 0.003 0.000 0.289 96 T C -0.287 174.417 174.700 0.006 0.000 1.082 96 T CA -1.037 61.081 62.100 0.030 0.000 1.009 96 T CB 1.242 70.078 68.868 -0.054 0.000 1.234 96 T HN 0.374 nan 8.240 nan 0.000 0.526 97 N N 1.354 120.039 118.700 -0.026 0.000 2.819 97 N HA 0.502 5.244 4.740 0.003 0.000 0.284 97 N C 0.795 176.276 175.510 -0.049 0.000 1.196 97 N CA 1.164 54.204 53.050 -0.016 0.000 1.114 97 N CB -0.512 37.965 38.487 -0.015 0.000 1.437 97 N HN 1.187 nan 8.380 nan 0.000 0.518 98 G N 0.130 108.918 108.800 -0.020 0.000 2.860 98 G HA2 -0.196 3.766 3.960 0.003 0.000 0.553 98 G HA3 -0.196 3.766 3.960 0.003 0.000 0.553 98 G C 1.049 175.896 174.900 -0.088 0.000 1.439 98 G CA -0.462 44.624 45.100 -0.024 0.000 0.879 98 G HN 0.515 nan 8.290 nan 0.000 0.545 99 G N -0.620 108.134 108.800 -0.076 0.000 2.432 99 G HA2 0.060 4.021 3.960 0.003 0.000 0.219 99 G HA3 0.060 4.021 3.960 0.003 0.000 0.219 99 G C 2.141 176.909 174.900 -0.220 0.000 1.135 99 G CA 2.039 47.071 45.100 -0.113 0.000 0.767 99 G HN 1.356 nan 8.290 nan 0.000 0.550 100 S N 0.234 115.809 115.700 -0.207 0.000 2.368 100 S HA -0.211 4.260 4.470 0.003 0.000 0.226 100 S C 2.101 176.159 174.600 -0.904 0.000 1.044 100 S CA 1.716 59.621 58.200 -0.492 0.000 1.062 100 S CB -0.304 62.873 63.200 -0.039 0.000 0.931 100 S HN 0.674 nan 8.310 nan 0.000 0.440 101 E N 0.744 120.601 120.200 -0.571 0.000 2.107 101 E HA -0.042 4.310 4.350 0.003 0.000 0.191 101 E C 2.144 178.243 176.600 -0.834 0.000 0.982 101 E CA 0.727 56.685 56.400 -0.737 0.000 0.809 101 E CB -0.222 29.111 29.700 -0.611 0.000 0.756 101 E HN 0.480 nan 8.360 nan 0.000 0.459 102 A N 0.888 123.405 122.820 -0.504 0.000 1.940 102 A HA -0.168 4.153 4.320 0.003 0.000 0.219 102 A C 2.069 179.474 177.584 -0.298 0.000 1.176 102 A CA 1.171 53.032 52.037 -0.294 0.000 0.631 102 A CB -0.514 18.379 19.000 -0.178 0.000 0.814 102 A HN 0.308 nan 8.150 nan 0.000 0.446 103 I N -1.072 119.219 120.570 -0.464 0.000 2.233 103 I HA -0.187 3.985 4.170 0.003 0.000 0.243 103 I C 2.379 178.078 176.117 -0.696 0.000 1.093 103 I CA 0.957 61.925 61.300 -0.554 0.000 1.380 103 I CB -0.276 37.352 38.000 -0.620 0.000 1.067 103 I HN 0.373 nan 8.210 nan 0.000 0.413 104 L N 0.618 121.389 121.223 -0.753 0.000 2.012 104 L HA -0.217 4.125 4.340 0.003 0.000 0.210 104 L C 2.237 179.057 176.870 -0.082 0.000 1.073 104 L CA 2.063 56.647 54.840 -0.427 0.000 0.748 104 L CB -0.767 41.048 42.059 -0.408 0.000 0.891 104 L HN 0.036 nan 8.230 nan 0.000 0.431 105 F N -0.309 119.559 119.950 -0.136 0.000 2.134 105 F HA -0.126 4.402 4.527 0.003 0.000 0.299 105 F C 2.694 178.477 175.800 -0.029 0.000 1.097 105 F CA 1.187 59.149 58.000 -0.063 0.000 1.264 105 F CB -1.612 37.347 39.000 -0.069 0.000 1.001 105 F HN 0.055 nan 8.300 nan 0.000 0.479 106 S N 0.259 116.049 115.700 0.149 0.000 2.365 106 S HA -0.197 4.275 4.470 0.003 0.000 0.225 106 S C 1.977 176.709 174.600 0.219 0.000 1.039 106 S CA 1.372 59.645 58.200 0.123 0.000 1.033 106 S CB -0.700 62.570 63.200 0.116 0.000 0.887 106 S HN 0.154 nan 8.310 nan 0.000 0.447 107 F N 1.811 121.748 119.950 -0.023 0.000 2.095 107 F HA -0.057 4.472 4.527 0.003 0.000 0.298 107 F C 2.656 178.455 175.800 -0.002 0.000 1.104 107 F CA 0.382 58.376 58.000 -0.010 0.000 1.232 107 F CB -1.352 37.663 39.000 0.025 0.000 0.987 107 F HN 0.200 nan 8.300 nan 0.000 0.475 108 A N -0.448 122.511 122.820 0.231 0.000 1.969 108 A HA -0.067 4.254 4.320 0.003 0.000 0.218 108 A C 2.393 180.001 177.584 0.040 0.000 1.169 108 A CA 1.628 53.743 52.037 0.131 0.000 0.635 108 A CB -1.093 17.999 19.000 0.152 0.000 0.810 108 A HN 0.186 nan 8.150 nan 0.000 0.445 109 V N 0.649 120.570 119.914 0.012 0.000 2.453 109 V HA -0.198 3.924 4.120 0.003 0.000 0.247 109 V C 2.394 178.394 176.094 -0.157 0.000 1.048 109 V CA 1.866 64.113 62.300 -0.088 0.000 1.049 109 V CB -0.645 31.121 31.823 -0.096 0.000 0.672 109 V HN 0.782 nan 8.190 nan 0.000 0.457 110 I N -1.645 118.836 120.570 -0.148 0.000 3.035 110 I HA 0.438 4.610 4.170 0.003 0.000 0.271 110 I C 0.962 177.060 176.117 -0.032 0.000 1.190 110 I CA 0.565 61.780 61.300 -0.143 0.000 1.472 110 I CB -0.004 37.882 38.000 -0.191 0.000 1.116 110 I HN 0.146 nan 8.210 nan 0.000 0.443 111 A N 1.529 124.328 122.820 -0.035 0.000 2.374 111 A HA 0.640 4.962 4.320 0.003 0.000 0.317 111 A C -0.808 176.770 177.584 -0.011 0.000 1.094 111 A CA -0.781 51.240 52.037 -0.027 0.000 0.765 111 A CB 0.888 19.849 19.000 -0.065 0.000 1.268 111 A HN 0.263 nan 8.150 nan 0.000 0.438 112 N N 0.673 119.368 118.700 -0.008 0.000 2.476 112 N HA 0.487 5.229 4.740 0.003 0.000 0.275 112 N C -2.839 172.676 175.510 0.009 0.000 1.190 112 N CA -1.538 51.512 53.050 0.000 0.000 0.977 112 N CB 0.353 38.839 38.487 -0.002 0.000 1.200 112 N HN 0.290 nan 8.380 nan 0.000 0.515 113 P HA 0.133 nan 4.420 nan 0.000 0.267 113 P C 0.722 178.032 177.300 0.015 0.000 1.209 113 P CA 0.568 63.682 63.100 0.024 0.000 0.763 113 P CB 0.364 32.081 31.700 0.028 0.000 0.816 114 G N 2.081 110.889 108.800 0.014 0.000 2.232 114 G HA2 -0.177 3.785 3.960 0.003 0.000 0.226 114 G HA3 -0.177 3.785 3.960 0.003 0.000 0.226 114 G C 0.134 175.033 174.900 -0.001 0.000 0.996 114 G CA -0.312 44.793 45.100 0.009 0.000 0.626 114 G HN 0.475 nan 8.290 nan 0.000 0.509 115 D N 1.159 121.553 120.400 -0.010 0.000 2.384 115 D HA 0.544 5.185 4.640 0.003 0.000 0.244 115 D C 0.683 176.957 176.300 -0.043 0.000 1.251 115 D CA 0.223 54.209 54.000 -0.023 0.000 0.961 115 D CB 0.519 41.303 40.800 -0.026 0.000 1.116 115 D HN 0.549 nan 8.370 nan 0.000 0.484 116 E N -0.228 119.939 120.200 -0.056 0.000 2.227 116 E HA 0.606 4.958 4.350 0.003 0.000 0.268 116 E C -0.542 175.979 176.600 -0.132 0.000 0.907 116 E CA -0.640 55.711 56.400 -0.081 0.000 0.786 116 E CB 2.240 31.912 29.700 -0.047 0.000 1.191 116 E HN 0.234 nan 8.360 nan 0.000 0.411 117 I N 3.052 123.505 120.570 -0.194 0.000 2.478 117 I HA 0.243 4.414 4.170 0.003 0.000 0.287 117 I C -0.589 175.383 176.117 -0.243 0.000 1.042 117 I CA -0.696 60.441 61.300 -0.272 0.000 1.067 117 I CB 1.327 39.020 38.000 -0.512 0.000 1.233 117 I HN 0.311 nan 8.210 nan 0.000 0.431 118 L N 6.333 127.433 121.223 -0.205 0.000 2.397 118 L HA 0.455 4.797 4.340 0.003 0.000 0.271 118 L C -0.217 176.505 176.870 -0.247 0.000 1.148 118 L CA -0.277 54.437 54.840 -0.210 0.000 0.825 118 L CB 1.342 43.297 42.059 -0.172 0.000 1.117 118 L HN 0.346 nan 8.230 nan 0.000 0.456 119 V N 4.903 124.649 119.914 -0.281 0.000 2.841 119 V HA 0.407 4.529 4.120 0.003 0.000 0.310 119 V C -0.452 175.522 176.094 -0.200 0.000 1.090 119 V CA -0.607 61.511 62.300 -0.303 0.000 0.930 119 V CB 2.281 33.751 31.823 -0.588 0.000 1.014 119 V HN 0.515 nan 8.190 nan 0.000 0.425 120 L N 5.530 126.710 121.223 -0.072 0.000 2.283 120 L HA 0.499 4.841 4.340 0.003 0.000 0.287 120 L C 0.414 177.370 176.870 0.143 0.000 1.073 120 L CA 0.114 54.972 54.840 0.030 0.000 0.822 120 L CB 0.830 42.941 42.059 0.087 0.000 1.186 120 L HN 0.689 nan 8.230 nan 0.000 0.436 121 E N 6.351 126.638 120.200 0.146 0.000 2.249 121 E HA 0.324 4.676 4.350 0.003 0.000 0.280 121 E C -2.291 174.311 176.600 0.003 0.000 1.016 121 E CA -1.966 54.539 56.400 0.176 0.000 0.830 121 E CB 1.378 31.207 29.700 0.215 0.000 1.081 121 E HN 0.245 nan 8.360 nan 0.000 0.395 122 P HA 0.124 nan 4.420 nan 0.000 0.274 122 P C -1.028 176.213 177.300 -0.098 0.000 1.231 122 P CA 0.016 62.763 63.100 -0.588 0.000 0.790 122 P CB 0.324 31.458 31.700 -0.943 0.000 0.951 123 F N -0.601 119.322 119.950 -0.045 0.000 2.664 123 F HA 0.480 5.009 4.527 0.003 0.000 0.317 123 F C -0.814 175.118 175.800 0.219 0.000 1.108 123 F CA -1.953 56.127 58.000 0.133 0.000 0.957 123 F CB 0.412 39.547 39.000 0.226 0.000 1.365 123 F HN 0.145 nan 8.300 nan 0.000 0.475 124 Y N 2.972 123.381 120.300 0.182 0.000 2.828 124 Y HA 0.338 4.890 4.550 0.003 0.000 0.364 124 Y C 1.317 177.046 175.900 -0.287 0.000 1.277 124 Y CA -0.295 57.711 58.100 -0.156 0.000 1.713 124 Y CB 0.306 38.525 38.460 -0.402 0.000 1.278 124 Y HN 0.887 nan 8.280 nan 0.000 0.502 125 A N 4.573 126.936 122.820 -0.761 0.000 1.985 125 A HA -0.365 3.957 4.320 0.003 0.000 0.223 125 A C 2.140 179.368 177.584 -0.594 0.000 1.189 125 A CA 2.287 53.862 52.037 -0.771 0.000 0.658 125 A CB -0.522 17.909 19.000 -0.949 0.000 0.820 125 A HN 0.838 nan 8.150 nan 0.000 0.464 126 N N -1.150 116.935 118.700 -1.024 0.000 2.348 126 N HA -0.157 4.585 4.740 0.003 0.000 0.185 126 N C 1.207 176.351 175.510 -0.610 0.000 1.019 126 N CA 1.411 53.908 53.050 -0.922 0.000 0.880 126 N CB -0.605 37.238 38.487 -1.074 0.000 0.965 126 N HN 0.673 nan 8.380 nan 0.000 0.437 127 Y N 0.828 121.054 120.300 -0.122 0.000 2.274 127 Y HA -0.101 4.450 4.550 0.003 0.000 0.290 127 Y C 2.251 178.233 175.900 0.136 0.000 1.145 127 Y CA 0.616 58.837 58.100 0.201 0.000 1.203 127 Y CB -0.842 37.819 38.460 0.336 0.000 0.984 127 Y HN 0.118 nan 8.280 nan 0.000 0.533 128 N N 0.299 119.148 118.700 0.248 0.000 2.223 128 N HA -0.142 4.600 4.740 0.003 0.000 0.185 128 N C 1.870 177.382 175.510 0.002 0.000 1.016 128 N CA 1.219 54.369 53.050 0.167 0.000 0.863 128 N CB -0.346 38.245 38.487 0.174 0.000 0.983 128 N HN 0.310 nan 8.380 nan 0.000 0.429 129 A N -0.433 122.250 122.820 -0.228 0.000 1.898 129 A HA -0.037 4.284 4.320 0.003 0.000 0.216 129 A C 1.845 179.280 177.584 -0.248 0.000 1.181 129 A CA 1.070 52.904 52.037 -0.338 0.000 0.620 129 A CB -0.907 17.730 19.000 -0.604 0.000 0.819 129 A HN 0.302 nan 8.150 nan 0.000 0.442 130 F N 0.249 120.194 119.950 -0.009 0.000 2.259 130 F HA 0.052 4.581 4.527 0.003 0.000 0.298 130 F C 2.729 178.583 175.800 0.089 0.000 1.088 130 F CA 0.462 58.432 58.000 -0.050 0.000 1.358 130 F CB -0.876 37.977 39.000 -0.244 0.000 1.040 130 F HN 0.242 nan 8.300 nan 0.000 0.505 131 A N 0.411 123.459 122.820 0.381 0.000 1.898 131 A HA -0.182 4.139 4.320 0.003 0.000 0.216 131 A C 2.258 179.971 177.584 0.214 0.000 1.181 131 A CA 1.546 53.838 52.037 0.425 0.000 0.620 131 A CB -0.623 18.597 19.000 0.366 0.000 0.819 131 A HN 0.316 nan 8.150 nan 0.000 0.442 132 K N -0.465 120.014 120.400 0.131 0.000 2.097 132 K HA -0.040 4.282 4.320 0.003 0.000 0.206 132 K C 1.763 178.413 176.600 0.083 0.000 1.049 132 K CA 1.471 57.806 56.287 0.080 0.000 0.933 132 K CB -0.351 32.169 32.500 0.034 0.000 0.717 132 K HN 0.533 nan 8.250 nan 0.000 0.442 133 I N 0.813 121.440 120.570 0.095 0.000 2.226 133 I HA -0.236 3.936 4.170 0.003 0.000 0.245 133 I C 2.231 178.418 176.117 0.116 0.000 1.100 133 I CA 1.056 62.415 61.300 0.098 0.000 1.374 133 I CB -0.214 37.853 38.000 0.112 0.000 1.057 133 I HN 0.123 nan 8.210 nan 0.000 0.413 134 A N 0.143 123.056 122.820 0.155 0.000 2.208 134 A HA 0.263 4.585 4.320 0.003 0.000 0.209 134 A C 1.864 179.517 177.584 0.115 0.000 1.161 134 A CA 0.788 52.916 52.037 0.153 0.000 0.782 134 A CB -0.605 18.527 19.000 0.220 0.000 0.816 134 A HN 0.574 nan 8.150 nan 0.000 0.477 135 G N -1.380 107.481 108.800 0.101 0.000 2.143 135 G HA2 -0.194 3.768 3.960 0.003 0.000 0.248 135 G HA3 -0.194 3.768 3.960 0.003 0.000 0.248 135 G C 0.129 175.065 174.900 0.059 0.000 0.991 135 G CA 0.267 45.409 45.100 0.071 0.000 0.689 135 G HN 0.782 nan 8.290 nan 0.000 0.522 136 V N 0.163 120.121 119.914 0.074 0.000 2.539 136 V HA 0.599 4.721 4.120 0.003 0.000 0.292 136 V C 0.613 176.717 176.094 0.017 0.000 1.045 136 V CA -0.748 61.568 62.300 0.027 0.000 0.945 136 V CB 1.784 33.605 31.823 -0.003 0.000 0.993 136 V HN 0.352 nan 8.190 nan 0.000 0.464 137 K N 3.610 124.000 120.400 -0.016 0.000 2.234 137 K HA 0.481 4.802 4.320 0.003 0.000 0.282 137 K C -1.091 175.476 176.600 -0.055 0.000 1.039 137 K CA -0.258 56.022 56.287 -0.013 0.000 0.928 137 K CB 0.999 33.496 32.500 -0.006 0.000 1.039 137 K HN 0.470 nan 8.250 nan 0.000 0.470 138 L N 6.192 127.391 121.223 -0.040 0.000 2.272 138 L HA 0.450 4.792 4.340 0.003 0.000 0.289 138 L C -1.066 175.751 176.870 -0.087 0.000 1.032 138 L CA -0.359 54.420 54.840 -0.100 0.000 0.810 138 L CB 0.815 42.831 42.059 -0.072 0.000 1.205 138 L HN 0.599 nan 8.230 nan 0.000 0.422 139 I N 7.575 128.069 120.570 -0.126 0.000 2.312 139 I HA 0.364 4.536 4.170 0.003 0.000 0.290 139 I C -2.181 173.833 176.117 -0.171 0.000 1.008 139 I CA -2.196 59.047 61.300 -0.095 0.000 1.226 139 I CB 1.271 39.234 38.000 -0.062 0.000 1.371 139 I HN 0.420 nan 8.210 nan 0.000 0.468 140 P HA 0.219 nan 4.420 nan 0.000 0.279 140 P C -0.598 176.491 177.300 -0.353 0.000 1.239 140 P CA -0.314 62.707 63.100 -0.132 0.000 0.789 140 P CB 1.739 33.477 31.700 0.064 0.000 0.933 141 V N 3.487 123.181 119.914 -0.368 0.000 2.305 141 V HA 0.146 4.268 4.120 0.003 0.000 0.275 141 V C 0.459 176.480 176.094 -0.123 0.000 1.020 141 V CA -0.352 61.618 62.300 -0.550 0.000 0.811 141 V CB 0.845 32.339 31.823 -0.548 0.000 1.031 141 V HN 0.525 nan 8.190 nan 0.000 0.439 142 T N 5.835 120.395 114.554 0.010 0.000 2.928 142 T HA 0.284 4.636 4.350 0.003 0.000 0.305 142 T C 0.253 175.068 174.700 0.191 0.000 1.035 142 T CA 0.296 62.497 62.100 0.169 0.000 1.145 142 T CB 0.280 69.278 68.868 0.216 0.000 0.963 142 T HN 0.551 nan 8.240 nan 0.000 0.545 143 R N 1.969 122.631 120.500 0.270 0.000 2.740 143 R HA 0.584 4.926 4.340 0.003 0.000 0.282 143 R C 0.068 176.556 176.300 0.313 0.000 0.969 143 R CA -1.098 55.185 56.100 0.304 0.000 0.918 143 R CB 1.787 32.338 30.300 0.417 0.000 1.175 143 R HN 0.427 nan 8.270 nan 0.000 0.464 147 E N -0.058 120.041 120.200 -0.167 0.000 2.476 147 E HA 0.397 4.748 4.350 0.003 0.000 0.196 147 E C 1.128 177.679 176.600 -0.081 0.000 1.029 147 E CA 0.030 56.375 56.400 -0.092 0.000 0.896 147 E CB 0.942 30.615 29.700 -0.045 0.000 1.012 147 E HN 0.907 nan 8.360 nan 0.000 0.475 148 G N 1.371 110.081 108.800 -0.151 0.000 2.176 148 G HA2 -0.320 3.642 3.960 0.003 0.000 0.252 148 G HA3 -0.320 3.642 3.960 0.003 0.000 0.252 148 G C 0.238 175.179 174.900 0.067 0.000 1.024 148 G CA 0.027 45.087 45.100 -0.067 0.000 0.755 148 G HN 0.357 nan 8.290 nan 0.000 0.507 149 F N -2.583 117.389 119.950 0.038 0.000 3.067 149 F HA -0.153 4.376 4.527 0.002 0.000 0.279 149 F C 1.531 177.405 175.800 0.124 0.000 0.945 149 F CA 0.850 58.890 58.000 0.068 0.000 0.948 149 F CB -1.870 37.153 39.000 0.039 0.000 0.898 149 F HN 1.170 nan 8.300 nan 0.000 0.746 150 A N 0.081 123.045 122.820 0.239 0.000 2.296 150 A HA 0.659 4.981 4.320 0.003 0.000 0.264 150 A C 0.551 178.287 177.584 0.253 0.000 1.097 150 A CA -0.570 51.624 52.037 0.263 0.000 0.811 150 A CB 0.488 19.572 19.000 0.140 0.000 1.072 150 A HN 0.313 nan 8.150 nan 0.000 0.495 151 I N 2.446 123.137 120.570 0.202 0.000 2.517 151 I HA 0.151 4.323 4.170 0.003 0.000 0.285 151 I C -1.578 174.590 176.117 0.084 0.000 1.106 151 I CA -1.183 60.170 61.300 0.088 0.000 1.402 151 I CB 0.446 38.423 38.000 -0.038 0.000 1.399 151 I HN 0.497 nan 8.210 nan 0.000 0.535 152 P HA 0.100 nan 4.420 nan 0.000 0.272 152 P C 0.286 177.660 177.300 0.123 0.000 1.223 152 P CA -0.187 62.983 63.100 0.117 0.000 0.784 152 P CB 0.756 32.548 31.700 0.154 0.000 0.923 153 Q N 1.628 121.488 119.800 0.099 0.000 2.369 153 Q HA -0.117 4.225 4.340 0.003 0.000 0.206 153 Q C 1.119 177.194 176.000 0.125 0.000 0.963 153 Q CA 1.467 57.331 55.803 0.101 0.000 0.894 153 Q CB -1.101 27.673 28.738 0.060 0.000 0.965 153 Q HN 0.496 nan 8.270 nan 0.000 0.475 154 N N -0.001 118.784 118.700 0.142 0.000 2.322 154 N HA 0.120 4.861 4.740 0.003 0.000 0.216 154 N C 1.081 176.730 175.510 0.231 0.000 1.144 154 N CA -0.013 53.111 53.050 0.124 0.000 0.830 154 N CB 0.496 39.032 38.487 0.082 0.000 1.034 154 N HN 0.420 nan 8.380 nan 0.000 0.484 155 L N 1.035 122.412 121.223 0.256 0.000 2.042 155 L HA -0.104 4.238 4.340 0.003 0.000 0.210 155 L C 2.066 179.063 176.870 0.212 0.000 1.076 155 L CA 1.843 56.853 54.840 0.283 0.000 0.749 155 L CB -0.285 41.872 42.059 0.164 0.000 0.893 155 L HN 0.165 nan 8.230 nan 0.000 0.432 156 E N -0.697 119.547 120.200 0.073 0.000 2.204 156 E HA -0.150 4.201 4.350 0.003 0.000 0.194 156 E C 1.982 178.542 176.600 -0.067 0.000 0.989 156 E CA 1.132 57.497 56.400 -0.059 0.000 0.824 156 E CB 0.059 29.741 29.700 -0.031 0.000 0.756 156 E HN 0.615 nan 8.360 nan 0.000 0.477 157 S N -0.037 115.625 115.700 -0.064 0.000 2.419 157 S HA -0.081 4.390 4.470 0.003 0.000 0.233 157 S C 1.417 175.870 174.600 -0.244 0.000 1.016 157 S CA 0.712 58.797 58.200 -0.191 0.000 0.974 157 S CB -0.315 62.692 63.200 -0.323 0.000 0.786 157 S HN 0.274 nan 8.310 nan 0.000 0.492 158 F N 1.310 121.226 119.950 -0.057 0.000 2.710 158 F HA 0.290 4.819 4.527 0.002 0.000 0.298 158 F C 0.840 176.592 175.800 -0.080 0.000 1.137 158 F CA -0.098 57.869 58.000 -0.054 0.000 1.444 158 F CB -0.392 38.581 39.000 -0.045 0.000 1.111 158 F HN 0.070 nan 8.300 nan 0.000 0.580 159 I N 2.053 122.636 120.570 0.022 0.000 2.529 159 I HA 0.077 4.248 4.170 0.003 0.000 0.284 159 I C -0.075 176.020 176.117 -0.038 0.000 1.082 159 I CA -0.206 61.057 61.300 -0.061 0.000 1.406 159 I CB 0.469 38.322 38.000 -0.244 0.000 1.405 159 I HN 0.179 nan 8.210 nan 0.000 0.548 160 N N 3.580 122.269 118.700 -0.019 0.000 3.316 160 N HA 0.115 4.857 4.740 0.003 0.000 0.300 160 N C 0.159 175.669 175.510 0.001 0.000 1.567 160 N CA -0.894 52.153 53.050 -0.005 0.000 0.821 160 N CB 0.285 38.772 38.487 0.000 0.000 1.748 160 N HN 0.582 nan 8.380 nan 0.000 0.603 161 E N -0.690 119.513 120.200 0.004 0.000 2.209 161 E HA -0.149 4.203 4.350 0.003 0.000 0.196 161 E C 0.632 177.233 176.600 0.001 0.000 0.993 161 E CA 0.846 57.248 56.400 0.005 0.000 0.819 161 E CB -0.101 29.602 29.700 0.004 0.000 0.745 161 E HN 0.339 nan 8.360 nan 0.000 0.477 162 R N 0.839 121.337 120.500 -0.002 0.000 2.276 162 R HA 0.113 4.455 4.340 0.003 0.000 0.196 162 R C 0.388 176.679 176.300 -0.016 0.000 0.961 162 R CA 0.413 56.509 56.100 -0.006 0.000 1.024 162 R CB -0.272 30.025 30.300 -0.005 0.000 0.940 162 R HN 0.089 nan 8.270 nan 0.000 0.480 163 T N 2.353 116.896 114.554 -0.018 0.000 2.834 163 T HA 0.111 4.463 4.350 0.003 0.000 0.298 163 T C 1.124 175.808 174.700 -0.026 0.000 0.966 163 T CA 0.202 62.282 62.100 -0.033 0.000 1.141 163 T CB 1.027 69.872 68.868 -0.038 0.000 0.905 163 T HN -0.101 nan 8.240 nan 0.000 0.535 164 K N 1.509 121.888 120.400 -0.034 0.000 2.412 164 K HA 0.328 4.650 4.320 0.003 0.000 0.202 164 K C 0.882 177.503 176.600 0.036 0.000 1.102 164 K CA -0.018 56.275 56.287 0.009 0.000 1.027 164 K CB 1.507 34.016 32.500 0.016 0.000 0.931 164 K HN 0.784 nan 8.250 nan 0.000 0.557 165 G N 0.493 109.271 108.800 -0.037 0.000 2.495 165 G HA2 0.546 4.507 3.960 0.003 0.000 0.294 165 G HA3 0.546 4.507 3.960 0.003 0.000 0.294 165 G C -1.710 173.130 174.900 -0.101 0.000 1.397 165 G CA -0.772 44.311 45.100 -0.029 0.000 0.790 165 G HN -0.040 nan 8.290 nan 0.000 0.486 166 I N -0.079 120.441 120.570 -0.084 0.000 2.582 166 I HA 0.640 4.812 4.170 0.003 0.000 0.292 166 I C -0.836 175.219 176.117 -0.102 0.000 1.066 166 I CA -1.236 59.998 61.300 -0.111 0.000 1.053 166 I CB 2.258 40.206 38.000 -0.086 0.000 1.241 166 I HN 0.426 nan 8.210 nan 0.000 0.421 167 V N 7.561 127.388 119.914 -0.145 0.000 2.789 167 V HA 0.781 4.902 4.120 0.003 0.000 0.311 167 V C -1.162 174.856 176.094 -0.127 0.000 1.073 167 V CA -0.356 61.859 62.300 -0.141 0.000 0.921 167 V CB 2.198 33.905 31.823 -0.193 0.000 1.009 167 V HN 0.682 nan 8.190 nan 0.000 0.426 168 L N 3.347 124.544 121.223 -0.044 0.000 2.892 168 L HA 0.901 5.243 4.340 0.003 0.000 0.269 168 L C -0.964 176.027 176.870 0.202 0.000 1.058 168 L CA -0.666 54.235 54.840 0.101 0.000 0.923 168 L CB 1.939 44.069 42.059 0.117 0.000 1.518 168 L HN 0.663 nan 8.230 nan 0.000 0.402 169 S N 0.536 116.416 115.700 0.300 0.000 2.501 169 S HA 0.747 5.219 4.470 0.003 0.000 0.301 169 S C -0.827 173.934 174.600 0.268 0.000 1.096 169 S CA -0.589 57.789 58.200 0.297 0.000 1.063 169 S CB 1.501 64.893 63.200 0.321 0.000 1.042 169 S HN 0.768 nan 8.310 nan 0.000 0.494 170 N N 1.822 120.686 118.700 0.274 0.000 2.571 170 N HA 0.459 5.201 4.740 0.003 0.000 0.286 170 N C -3.359 172.344 175.510 0.322 0.000 1.138 170 N CA -1.427 51.812 53.050 0.314 0.000 0.859 170 N CB 1.754 40.480 38.487 0.398 0.000 1.414 170 N HN 0.277 nan 8.380 nan 0.000 0.529 171 P HA 0.036 nan 4.420 nan 0.000 0.267 171 P C -0.037 177.270 177.300 0.012 0.000 1.200 171 P CA -0.327 62.776 63.100 0.004 0.000 0.772 171 P CB 0.549 32.145 31.700 -0.174 0.000 0.855 172 C N 3.792 123.062 119.300 -0.050 0.000 2.463 172 C HA 0.413 4.875 4.460 0.003 0.000 0.380 172 C C 0.177 175.060 174.990 -0.178 0.000 1.264 172 C CA -0.136 58.856 59.018 -0.044 0.000 2.161 172 C CB -1.018 26.695 27.740 -0.045 0.000 2.515 172 C HN 0.508 nan 8.230 nan 0.000 0.565 173 N N 4.987 123.598 118.700 -0.148 0.000 2.417 173 N HA 0.501 5.243 4.740 0.003 0.000 0.274 173 N C -1.959 173.418 175.510 -0.222 0.000 0.987 173 N CA -2.154 50.704 53.050 -0.319 0.000 0.912 173 N CB 2.120 40.440 38.487 -0.278 0.000 1.177 173 N HN 0.528 nan 8.380 nan 0.000 0.490 174 P HA 0.110 nan 4.420 nan 0.000 0.267 174 P C 0.784 177.822 177.300 -0.437 0.000 1.289 174 P CA 0.313 63.032 63.100 -0.635 0.000 0.866 174 P CB 0.240 31.351 31.700 -0.982 0.000 1.309 175 T N -3.949 110.337 114.554 -0.447 0.000 2.904 175 T HA 0.110 4.462 4.350 0.003 0.000 0.267 175 T C 1.696 176.275 174.700 -0.201 0.000 1.059 175 T CA 1.292 63.117 62.100 -0.458 0.000 1.137 175 T CB -1.366 67.043 68.868 -0.764 0.000 0.879 175 T HN 0.192 nan 8.240 nan 0.000 0.467 176 G N 0.726 109.416 108.800 -0.184 0.000 2.143 176 G HA2 -0.212 3.749 3.960 0.003 0.000 0.248 176 G HA3 -0.212 3.749 3.960 0.003 0.000 0.248 176 G C 0.082 174.912 174.900 -0.118 0.000 0.991 176 G CA 0.027 45.050 45.100 -0.129 0.000 0.689 176 G HN 0.762 nan 8.290 nan 0.000 0.522 177 V N -0.111 119.707 119.914 -0.159 0.000 2.881 177 V HA 0.509 4.631 4.120 0.003 0.000 0.303 177 V C 0.789 176.725 176.094 -0.263 0.000 1.070 177 V CA -0.294 61.873 62.300 -0.222 0.000 1.074 177 V CB 1.866 33.477 31.823 -0.354 0.000 1.012 177 V HN 0.309 nan 8.190 nan 0.000 0.482 178 V N 4.188 123.949 119.914 -0.254 0.000 2.380 178 V HA 0.342 4.464 4.120 0.003 0.000 0.286 178 V C -1.019 174.997 176.094 -0.130 0.000 1.015 178 V CA -0.732 61.502 62.300 -0.109 0.000 0.834 178 V CB 1.144 32.977 31.823 0.015 0.000 1.009 178 V HN 0.698 nan 8.190 nan 0.000 0.428 179 Y N 2.987 123.349 120.300 0.104 0.000 2.359 179 Y HA 0.545 5.096 4.550 0.003 0.000 0.334 179 Y C 1.242 177.158 175.900 0.027 0.000 1.058 179 Y CA 0.360 58.499 58.100 0.064 0.000 1.244 179 Y CB 0.919 39.418 38.460 0.065 0.000 1.187 179 Y HN 0.701 nan 8.280 nan 0.000 0.510 180 G N 2.687 111.582 108.800 0.159 0.000 2.588 180 G HA2 0.097 4.059 3.960 0.003 0.000 0.278 180 G HA3 0.097 4.059 3.960 0.003 0.000 0.278 180 G C 0.681 175.602 174.900 0.034 0.000 1.307 180 G CA -0.632 44.505 45.100 0.063 0.000 1.016 180 G HN 0.720 nan 8.290 nan 0.000 0.503 181 K N -0.681 119.714 120.400 -0.007 0.000 2.020 181 K HA -0.145 4.177 4.320 0.003 0.000 0.212 181 K C 2.053 178.664 176.600 0.018 0.000 1.050 181 K CA 1.985 58.263 56.287 -0.015 0.000 0.929 181 K CB -0.130 32.360 32.500 -0.017 0.000 0.714 181 K HN 0.388 nan 8.250 nan 0.000 0.443 182 D N 0.798 121.216 120.400 0.031 0.000 2.104 182 D HA -0.095 4.547 4.640 0.003 0.000 0.194 182 D C 0.652 176.992 176.300 0.067 0.000 0.994 182 D CA 1.073 55.099 54.000 0.043 0.000 0.830 182 D CB -0.214 40.605 40.800 0.031 0.000 0.959 182 D HN 0.300 nan 8.370 nan 0.000 0.452 186 Y N 1.783 122.067 120.300 -0.025 0.000 2.165 186 Y HA -0.191 4.360 4.550 0.003 0.000 0.286 186 Y C 1.817 177.697 175.900 -0.033 0.000 1.155 186 Y CA 2.191 60.277 58.100 -0.024 0.000 1.164 186 Y CB -0.070 38.376 38.460 -0.023 0.000 0.978 186 Y HN 0.236 nan 8.280 nan 0.000 0.513 187 L N -0.625 120.611 121.223 0.020 0.000 2.141 187 L HA -0.109 4.233 4.340 0.003 0.000 0.209 187 L C 2.240 179.042 176.870 -0.115 0.000 1.094 187 L CA 1.325 56.114 54.840 -0.084 0.000 0.763 187 L CB -0.716 41.327 42.059 -0.027 0.000 0.908 187 L HN 0.207 nan 8.230 nan 0.000 0.437 188 V N -0.706 119.166 119.914 -0.071 0.000 2.379 188 V HA -0.231 3.890 4.120 0.003 0.000 0.245 188 V C 2.383 178.422 176.094 -0.092 0.000 1.044 188 V CA 1.647 63.909 62.300 -0.064 0.000 1.036 188 V CB -0.525 31.277 31.823 -0.035 0.000 0.664 188 V HN 0.460 nan 8.190 nan 0.000 0.453 189 E N 0.041 120.173 120.200 -0.113 0.000 2.110 189 E HA -0.200 4.151 4.350 0.003 0.000 0.193 189 E C 2.171 178.683 176.600 -0.146 0.000 0.988 189 E CA 1.483 57.808 56.400 -0.124 0.000 0.804 189 E CB -0.185 29.443 29.700 -0.119 0.000 0.745 189 E HN 0.557 nan 8.360 nan 0.000 0.458 190 I N 0.939 121.382 120.570 -0.211 0.000 2.252 190 I HA -0.252 3.919 4.170 0.003 0.000 0.245 190 I C 2.547 178.654 176.117 -0.016 0.000 1.102 190 I CA 0.783 62.009 61.300 -0.123 0.000 1.385 190 I CB -0.314 37.544 38.000 -0.237 0.000 1.064 190 I HN 0.090 nan 8.210 nan 0.000 0.414 191 A N 0.745 123.520 122.820 -0.076 0.000 1.883 191 A HA -0.248 4.074 4.320 0.003 0.000 0.217 191 A C 2.205 179.735 177.584 -0.091 0.000 1.186 191 A CA 1.879 53.872 52.037 -0.073 0.000 0.624 191 A CB -0.642 18.308 19.000 -0.084 0.000 0.822 191 A HN 0.446 nan 8.150 nan 0.000 0.444 192 E N -0.613 119.525 120.200 -0.103 0.000 2.077 192 E HA -0.186 4.166 4.350 0.003 0.000 0.193 192 E C 2.319 178.844 176.600 -0.126 0.000 0.989 192 E CA 1.153 57.481 56.400 -0.120 0.000 0.800 192 E CB -0.187 29.453 29.700 -0.101 0.000 0.746 192 E HN 0.541 nan 8.360 nan 0.000 0.452 193 R N 0.016 120.438 120.500 -0.130 0.000 2.096 193 R HA -0.079 4.263 4.340 0.003 0.000 0.235 193 R C 1.662 177.747 176.300 -0.359 0.000 1.127 193 R CA 1.063 57.023 56.100 -0.234 0.000 0.968 193 R CB -0.101 30.036 30.300 -0.270 0.000 0.861 193 R HN 0.318 nan 8.270 nan 0.000 0.440 194 H N -1.119 117.888 119.070 -0.105 0.000 2.549 194 H HA 0.176 4.733 4.556 0.003 0.000 0.279 194 H C 0.760 176.020 175.328 -0.114 0.000 1.018 194 H CA 0.541 56.533 56.048 -0.094 0.000 1.175 194 H CB 0.961 30.674 29.762 -0.082 0.000 1.485 194 H HN 0.411 nan 8.280 nan 0.000 0.543 195 G N 1.822 110.574 108.800 -0.080 0.000 2.323 195 G HA2 -0.273 3.689 3.960 0.003 0.000 0.292 195 G HA3 -0.273 3.689 3.960 0.003 0.000 0.292 195 G C -0.022 174.744 174.900 -0.223 0.000 1.040 195 G CA 0.207 45.209 45.100 -0.163 0.000 0.942 195 G HN 0.273 nan 8.290 nan 0.000 0.506 196 L N -1.311 119.791 121.223 -0.203 0.000 2.334 196 L HA 0.761 5.103 4.340 0.003 0.000 0.272 196 L C 0.317 177.020 176.870 -0.280 0.000 1.020 196 L CA -1.311 53.420 54.840 -0.181 0.000 0.812 196 L CB 1.252 43.269 42.059 -0.070 0.000 1.264 196 L HN 0.014 nan 8.230 nan 0.000 0.439 197 F N 1.819 121.745 119.950 -0.040 0.000 2.394 197 F HA 0.365 4.893 4.527 0.003 0.000 0.340 197 F C 0.028 175.801 175.800 -0.044 0.000 1.105 197 F CA -0.462 57.518 58.000 -0.034 0.000 1.124 197 F CB 1.372 40.357 39.000 -0.024 0.000 1.145 197 F HN 0.157 nan 8.300 nan 0.000 0.505 198 L N 5.424 126.731 121.223 0.140 0.000 2.262 198 L HA 0.506 4.848 4.340 0.003 0.000 0.288 198 L C -0.738 176.180 176.870 0.079 0.000 1.035 198 L CA -0.223 54.654 54.840 0.063 0.000 0.820 198 L CB 0.182 42.254 42.059 0.021 0.000 1.204 198 L HN 0.423 nan 8.230 nan 0.000 0.424 199 I N 6.231 126.835 120.570 0.057 0.000 2.297 199 I HA 0.292 4.463 4.170 0.003 0.000 0.291 199 I C -0.617 175.528 176.117 0.048 0.000 1.033 199 I CA -0.618 60.718 61.300 0.059 0.000 1.253 199 I CB 1.172 39.221 38.000 0.081 0.000 1.396 199 I HN 0.238 nan 8.210 nan 0.000 0.476 200 V N 5.179 125.136 119.914 0.070 0.000 2.334 200 V HA 0.180 4.301 4.120 0.003 0.000 0.281 200 V C -0.039 176.134 176.094 0.132 0.000 1.016 200 V CA -0.602 61.761 62.300 0.105 0.000 0.832 200 V CB 1.611 33.503 31.823 0.116 0.000 0.999 200 V HN 0.604 nan 8.190 nan 0.000 0.439 201 D N 4.362 124.858 120.400 0.161 0.000 2.374 201 D HA 0.143 4.785 4.640 0.003 0.000 0.240 201 D C 0.521 176.932 176.300 0.184 0.000 1.229 201 D CA -0.080 54.026 54.000 0.176 0.000 0.895 201 D CB 0.874 41.839 40.800 0.276 0.000 1.046 201 D HN 0.658 nan 8.370 nan 0.000 0.498 202 E N 2.777 123.081 120.200 0.172 0.000 2.511 202 E HA 0.037 4.388 4.350 0.003 0.000 0.214 202 E C 1.755 178.385 176.600 0.051 0.000 1.062 202 E CA -0.122 56.392 56.400 0.190 0.000 1.213 202 E CB 0.657 30.562 29.700 0.342 0.000 1.214 202 E HN 0.430 nan 8.360 nan 0.000 0.441 203 V N -2.043 117.833 119.914 -0.065 0.000 2.594 203 V HA -0.246 3.875 4.120 0.003 0.000 0.253 203 V C 1.355 177.181 176.094 -0.447 0.000 1.069 203 V CA 1.335 63.472 62.300 -0.271 0.000 1.082 203 V CB -0.779 30.782 31.823 -0.437 0.000 0.680 203 V HN 0.322 nan 8.190 nan 0.000 0.469 204 Y N 2.238 122.431 120.300 -0.179 0.000 2.461 204 Y HA 0.367 4.919 4.550 0.003 0.000 0.277 204 Y C 1.754 177.426 175.900 -0.381 0.000 1.182 204 Y CA -0.051 57.872 58.100 -0.295 0.000 1.276 204 Y CB -0.570 37.673 38.460 -0.361 0.000 1.087 204 Y HN 0.410 nan 8.280 nan 0.000 0.519 205 S N 0.260 115.777 115.700 -0.304 0.000 2.568 205 S HA 0.070 4.542 4.470 0.003 0.000 0.282 205 S C 0.610 174.996 174.600 -0.357 0.000 1.338 205 S CA 0.023 57.849 58.200 -0.623 0.000 1.045 205 S CB 1.059 63.918 63.200 -0.568 0.000 0.873 205 S HN 0.488 nan 8.310 nan 0.000 0.516 206 E N -0.337 119.635 120.200 -0.380 0.000 4.374 206 E HA -0.183 4.169 4.350 0.003 0.000 0.251 206 E C -0.060 176.437 176.600 -0.172 0.000 0.709 206 E CA 1.375 57.667 56.400 -0.179 0.000 2.266 206 E CB -1.475 28.225 29.700 0.001 0.000 1.709 206 E HN 0.840 nan 8.360 nan 0.000 0.570 207 I N 2.661 123.074 120.570 -0.262 0.000 2.234 207 I HA 0.190 4.361 4.170 0.003 0.000 0.287 207 I C -0.091 175.608 176.117 -0.697 0.000 1.131 207 I CA -0.239 60.854 61.300 -0.345 0.000 1.335 207 I CB 0.438 38.281 38.000 -0.263 0.000 1.511 207 I HN -0.208 nan 8.210 nan 0.000 0.588 208 V N 3.538 123.065 119.914 -0.645 0.000 2.588 208 V HA 0.361 4.483 4.120 0.003 0.000 0.304 208 V C -0.040 175.759 176.094 -0.490 0.000 1.042 208 V CA -0.313 61.617 62.300 -0.617 0.000 0.877 208 V CB 1.964 33.605 31.823 -0.303 0.000 0.996 208 V HN 0.353 nan 8.190 nan 0.000 0.425 209 F N 1.656 121.600 119.950 -0.011 0.000 2.532 209 F HA 0.429 4.958 4.527 0.003 0.000 0.278 209 F C 1.231 177.037 175.800 0.011 0.000 0.975 209 F CA -0.234 57.767 58.000 0.001 0.000 1.292 209 F CB -0.049 38.950 39.000 -0.001 0.000 1.112 209 F HN 0.252 nan 8.300 nan 0.000 0.703 210 R N 0.406 121.016 120.500 0.184 0.000 2.486 210 R HA 0.530 4.871 4.340 0.003 0.000 0.286 210 R C 0.347 176.691 176.300 0.073 0.000 0.999 210 R CA 0.021 56.188 56.100 0.111 0.000 0.993 210 R CB 0.963 31.320 30.300 0.095 0.000 1.084 210 R HN 0.351 nan 8.270 nan 0.000 0.487 211 G N 1.659 110.498 108.800 0.064 0.000 2.877 211 G HA2 -0.232 3.730 3.960 0.003 0.000 0.279 211 G HA3 -0.232 3.730 3.960 0.003 0.000 0.279 211 G C -0.951 173.991 174.900 0.070 0.000 1.431 211 G CA -0.711 44.425 45.100 0.059 0.000 0.883 211 G HN 0.502 nan 8.290 nan 0.000 0.547 212 E N -0.403 119.837 120.200 0.067 0.000 2.109 212 E HA 0.439 4.791 4.350 0.003 0.000 0.278 212 E C -0.241 176.421 176.600 0.102 0.000 0.954 212 E CA -0.638 55.807 56.400 0.075 0.000 0.779 212 E CB 1.365 31.090 29.700 0.042 0.000 1.093 212 E HN 0.447 nan 8.360 nan 0.000 0.401 213 F N 2.497 122.441 119.950 -0.011 0.000 2.443 213 F HA 0.365 4.894 4.527 0.003 0.000 0.353 213 F C -0.303 175.503 175.800 0.010 0.000 1.101 213 F CA -0.561 57.436 58.000 -0.005 0.000 1.226 213 F CB 0.743 39.726 39.000 -0.028 0.000 1.140 213 F HN 0.394 nan 8.300 nan 0.000 0.557 214 A N 5.023 127.362 122.820 -0.803 0.000 2.335 214 A HA 0.508 4.829 4.320 0.003 0.000 0.304 214 A C -0.447 176.620 177.584 -0.862 0.000 1.118 214 A CA -0.595 51.093 52.037 -0.583 0.000 0.757 214 A CB 0.948 19.788 19.000 -0.267 0.000 1.188 214 A HN 0.792 nan 8.150 nan 0.000 0.460 215 S N 1.699 117.100 115.700 -0.497 0.000 2.572 215 S HA 0.371 4.843 4.470 0.003 0.000 0.279 215 S C 1.547 176.093 174.600 -0.089 0.000 1.341 215 S CA 0.158 58.254 58.200 -0.174 0.000 1.043 215 S CB 0.767 64.091 63.200 0.207 0.000 0.887 215 S HN 1.609 nan 8.310 nan 0.000 0.516 216 A N 4.520 127.336 122.820 -0.007 0.000 2.019 216 A HA 0.005 4.327 4.320 0.003 0.000 0.219 216 A C 1.951 179.539 177.584 0.007 0.000 1.164 216 A CA 1.187 53.226 52.037 0.002 0.000 0.644 216 A CB -0.665 18.357 19.000 0.037 0.000 0.805 216 A HN 0.866 nan 8.150 nan 0.000 0.449 217 L N -0.728 120.510 121.223 0.024 0.000 2.362 217 L HA -0.096 4.246 4.340 0.003 0.000 0.219 217 L C 2.699 179.576 176.870 0.011 0.000 1.134 217 L CA 1.050 55.894 54.840 0.007 0.000 0.807 217 L CB -0.321 41.726 42.059 -0.020 0.000 0.927 217 L HN 0.469 nan 8.230 nan 0.000 0.447 218 S N 0.107 115.813 115.700 0.009 0.000 2.419 218 S HA -0.030 4.442 4.470 0.003 0.000 0.233 218 S C 1.037 175.633 174.600 -0.007 0.000 1.016 218 S CA 0.517 58.716 58.200 -0.001 0.000 0.974 218 S CB -0.180 63.003 63.200 -0.028 0.000 0.786 218 S HN 0.277 nan 8.310 nan 0.000 0.492 219 I N 2.647 123.211 120.570 -0.010 0.000 2.282 219 I HA 0.202 4.374 4.170 0.003 0.000 0.290 219 I C -0.241 175.873 176.117 -0.005 0.000 1.090 219 I CA -0.251 61.044 61.300 -0.008 0.000 1.231 219 I CB 0.872 38.866 38.000 -0.011 0.000 1.434 219 I HN 0.138 nan 8.210 nan 0.000 0.487 220 E N 4.891 125.090 120.200 -0.003 0.000 2.161 220 E HA 0.106 4.458 4.350 0.003 0.000 0.263 220 E C -0.183 176.415 176.600 -0.004 0.000 1.185 220 E CA 0.112 56.511 56.400 -0.001 0.000 0.938 220 E CB 0.605 30.306 29.700 0.001 0.000 1.023 220 E HN 0.480 nan 8.360 nan 0.000 0.433 221 S N 2.082 117.782 115.700 -0.001 0.000 2.549 221 S HA 0.117 4.589 4.470 0.003 0.000 0.280 221 S C 0.060 174.666 174.600 0.011 0.000 1.109 221 S CA -0.804 57.393 58.200 -0.004 0.000 0.905 221 S CB 1.706 64.898 63.200 -0.013 0.000 1.081 221 S HN 0.427 nan 8.310 nan 0.000 0.477 222 D N 1.496 121.901 120.400 0.008 0.000 2.349 222 D HA 0.150 4.791 4.640 0.003 0.000 0.224 222 D C 1.067 177.413 176.300 0.078 0.000 1.029 222 D CA 0.453 54.475 54.000 0.038 0.000 0.879 222 D CB 0.382 41.195 40.800 0.021 0.000 0.906 222 D HN 0.304 nan 8.370 nan 0.000 0.528 223 K N -0.929 119.489 120.400 0.030 0.000 2.358 223 K HA 0.245 4.567 4.320 0.003 0.000 0.200 223 K C 0.344 177.036 176.600 0.152 0.000 1.030 223 K CA -0.199 56.112 56.287 0.040 0.000 1.097 223 K CB 1.080 33.480 32.500 -0.167 0.000 0.862 223 K HN 0.000 nan 8.250 nan 0.000 0.534 224 V N 1.713 121.689 119.914 0.103 0.000 2.465 224 V HA 0.387 4.508 4.120 0.003 0.000 0.279 224 V C -0.202 175.942 176.094 0.084 0.000 1.045 224 V CA -0.683 61.666 62.300 0.082 0.000 0.938 224 V CB 1.606 33.451 31.823 0.037 0.000 0.986 224 V HN 0.049 nan 8.190 nan 0.000 0.467 225 V N 5.775 125.734 119.914 0.075 0.000 2.443 225 V HA 0.422 4.544 4.120 0.003 0.000 0.293 225 V C -0.250 175.861 176.094 0.029 0.000 1.021 225 V CA -0.559 61.764 62.300 0.039 0.000 0.848 225 V CB 1.928 33.771 31.823 0.033 0.000 0.998 225 V HN 0.590 nan 8.190 nan 0.000 0.424 226 V N 5.971 125.884 119.914 -0.001 0.000 2.472 226 V HA 0.532 4.654 4.120 0.003 0.000 0.290 226 V C -0.242 175.853 176.094 0.001 0.000 1.037 226 V CA -0.532 61.780 62.300 0.021 0.000 0.908 226 V CB 1.890 33.724 31.823 0.018 0.000 0.985 226 V HN 0.578 nan 8.190 nan 0.000 0.454 227 I N 3.790 124.384 120.570 0.040 0.000 2.404 227 I HA 0.613 4.785 4.170 0.003 0.000 0.293 227 I C -0.367 175.780 176.117 0.049 0.000 0.992 227 I CA -0.270 61.035 61.300 0.008 0.000 1.149 227 I CB 1.611 39.617 38.000 0.009 0.000 1.315 227 I HN 0.612 nan 8.210 nan 0.000 0.446 228 D N 2.892 123.302 120.400 0.016 0.000 2.579 228 D HA 0.676 5.317 4.640 0.003 0.000 0.257 228 D C -1.341 174.981 176.300 0.037 0.000 1.176 228 D CA -0.141 53.905 54.000 0.077 0.000 0.914 228 D CB 2.624 43.569 40.800 0.242 0.000 1.431 228 D HN 0.491 nan 8.370 nan 0.000 0.454 229 S N -0.308 115.447 115.700 0.091 0.000 2.588 229 S HA 0.377 4.849 4.470 0.003 0.000 0.269 229 S C -0.094 174.622 174.600 0.193 0.000 1.157 229 S CA -0.530 57.743 58.200 0.120 0.000 0.824 229 S CB 1.216 64.424 63.200 0.012 0.000 1.126 229 S HN 0.114 nan 8.310 nan 0.000 0.464 230 V N 1.954 122.002 119.914 0.223 0.000 3.608 230 V HA 0.171 4.293 4.120 0.003 0.000 0.269 230 V C 1.273 177.493 176.094 0.211 0.000 1.245 230 V CA 0.468 62.949 62.300 0.301 0.000 1.138 230 V CB -0.281 31.614 31.823 0.120 0.000 0.841 230 V HN 0.723 nan 8.190 nan 0.000 0.451 234 F N 1.632 121.664 119.950 0.136 0.000 2.688 234 F HA 0.371 4.900 4.527 0.003 0.000 0.310 234 F C 0.427 176.269 175.800 0.070 0.000 1.098 234 F CA 0.252 58.334 58.000 0.135 0.000 1.228 234 F CB 1.620 40.579 39.000 -0.067 0.000 1.042 234 F HN 0.023 nan 8.300 nan 0.000 0.557 235 S N 1.295 117.112 115.700 0.196 0.000 3.628 235 S HA -0.192 4.280 4.470 0.003 0.000 0.373 235 S C 0.296 174.904 174.600 0.013 0.000 0.968 235 S CA 0.511 58.781 58.200 0.118 0.000 1.215 235 S CB -1.127 62.155 63.200 0.136 0.000 0.912 235 S HN 0.626 nan 8.310 nan 0.000 0.495 236 A N 0.641 123.444 122.820 -0.028 0.000 2.795 236 A HA 0.511 4.833 4.320 0.003 0.000 0.282 236 A C 1.420 178.942 177.584 -0.103 0.000 0.964 236 A CA 0.277 52.194 52.037 -0.200 0.000 1.045 236 A CB -0.584 18.182 19.000 -0.390 0.000 1.174 236 A HN 0.801 nan 8.150 nan 0.000 0.493 237 C N -1.045 118.239 119.300 -0.026 0.000 2.403 237 C HA -0.125 4.337 4.460 0.003 0.000 0.277 237 C C 2.782 177.777 174.990 0.007 0.000 1.248 237 C CA 1.807 60.832 59.018 0.012 0.000 1.762 237 C CB -1.153 26.613 27.740 0.044 0.000 2.014 237 C HN 0.775 nan 8.230 nan 0.000 0.486 238 G N -0.295 108.499 108.800 -0.010 0.000 2.679 238 G HA2 0.173 4.135 3.960 0.003 0.000 0.212 238 G HA3 0.173 4.135 3.960 0.003 0.000 0.212 238 G C 1.686 176.597 174.900 0.018 0.000 1.137 238 G CA 0.809 45.915 45.100 0.011 0.000 0.787 238 G HN 0.623 nan 8.290 nan 0.000 0.534 239 A N 0.804 123.613 122.820 -0.019 0.000 1.930 239 A HA 0.106 4.428 4.320 0.003 0.000 0.217 239 A C 1.708 179.332 177.584 0.067 0.000 1.175 239 A CA 0.882 52.943 52.037 0.041 0.000 0.627 239 A CB -0.109 18.883 19.000 -0.015 0.000 0.815 239 A HN 0.268 nan 8.150 nan 0.000 0.443 240 R N -1.907 118.622 120.500 0.047 0.000 3.336 240 R HA -0.128 4.214 4.340 0.003 0.000 0.260 240 R C -1.089 175.247 176.300 0.061 0.000 1.032 240 R CA 0.827 56.956 56.100 0.049 0.000 0.693 240 R CB -2.974 27.355 30.300 0.048 0.000 1.134 240 R HN 0.348 nan 8.270 nan 0.000 0.433 241 V N -0.497 119.466 119.914 0.081 0.000 2.483 241 V HA 0.838 4.960 4.120 0.003 0.000 0.297 241 V C 0.910 177.093 176.094 0.149 0.000 1.027 241 V CA 0.069 62.443 62.300 0.123 0.000 0.855 241 V CB 2.124 34.043 31.823 0.160 0.000 0.995 241 V HN 0.546 nan 8.190 nan 0.000 0.424 242 G N 2.485 111.341 108.800 0.093 0.000 2.870 242 G HA2 0.820 4.781 3.960 0.003 0.000 0.299 242 G HA3 0.820 4.781 3.960 0.003 0.000 0.299 242 G C -0.878 173.912 174.900 -0.183 0.000 1.324 242 G CA -0.045 45.064 45.100 0.015 0.000 0.808 242 G HN 1.260 nan 8.290 nan 0.000 0.535 243 C N -1.729 117.390 119.300 -0.302 0.000 3.312 243 C HA 0.829 5.290 4.460 0.003 0.000 0.332 243 C C -1.155 173.691 174.990 -0.240 0.000 1.340 243 C CA -1.056 57.731 59.018 -0.386 0.000 1.265 243 C CB 0.796 28.018 27.740 -0.864 0.000 1.563 243 C HN 1.041 nan 8.230 nan 0.000 0.471 244 L N 1.945 123.061 121.223 -0.180 0.000 2.349 244 L HA 0.837 5.178 4.340 0.003 0.000 0.278 244 L C -1.136 175.656 176.870 -0.131 0.000 0.996 244 L CA -0.758 54.017 54.840 -0.109 0.000 0.825 244 L CB 1.007 43.045 42.059 -0.034 0.000 1.243 244 L HN 0.796 nan 8.230 nan 0.000 0.412 245 I N 4.204 124.692 120.570 -0.136 0.000 2.509 245 I HA 0.602 4.774 4.170 0.003 0.000 0.293 245 I C -0.340 175.716 176.117 -0.102 0.000 1.020 245 I CA -0.407 60.799 61.300 -0.157 0.000 1.088 245 I CB 2.239 40.072 38.000 -0.278 0.000 1.267 245 I HN 0.569 nan 8.210 nan 0.000 0.430 246 T N 3.868 118.378 114.554 -0.074 0.000 2.893 246 T HA 0.329 4.680 4.350 0.003 0.000 0.337 246 T C 0.049 174.738 174.700 -0.018 0.000 1.587 246 T CA -0.584 61.497 62.100 -0.031 0.000 1.066 246 T CB 1.542 70.407 68.868 -0.004 0.000 1.414 246 T HN 0.680 nan 8.240 nan 0.000 0.488 247 R N 1.278 121.780 120.500 0.002 0.000 2.300 247 R HA 0.190 4.532 4.340 0.003 0.000 0.199 247 R C 0.603 176.920 176.300 0.029 0.000 0.920 247 R CA -0.221 55.885 56.100 0.010 0.000 1.046 247 R CB 0.114 30.420 30.300 0.010 0.000 0.984 247 R HN 0.366 nan 8.270 nan 0.000 0.493 248 N N 2.132 120.861 118.700 0.049 0.000 2.402 248 N HA -0.051 4.691 4.740 0.003 0.000 0.259 248 N C 0.525 176.063 175.510 0.047 0.000 1.167 248 N CA 0.314 53.408 53.050 0.073 0.000 0.949 248 N CB 0.844 39.416 38.487 0.142 0.000 1.212 248 N HN 0.065 nan 8.380 nan 0.000 0.493 249 E N 2.907 123.128 120.200 0.034 0.000 2.153 249 E HA -0.196 4.155 4.350 0.003 0.000 0.194 249 E C 1.538 178.137 176.600 -0.000 0.000 0.988 249 E CA 1.430 57.839 56.400 0.015 0.000 0.811 249 E CB -0.159 29.548 29.700 0.012 0.000 0.746 249 E HN 0.857 nan 8.360 nan 0.000 0.466 250 E N 1.624 121.837 120.200 0.023 0.000 2.072 250 E HA -0.063 4.288 4.350 0.003 0.000 0.191 250 E C 2.025 178.659 176.600 0.057 0.000 0.985 250 E CA 1.024 57.431 56.400 0.011 0.000 0.801 250 E CB -0.868 28.888 29.700 0.093 0.000 0.750 250 E HN 0.264 nan 8.360 nan 0.000 0.452 251 L N -0.566 120.711 121.223 0.090 0.000 2.017 251 L HA -0.045 4.296 4.340 0.003 0.000 0.208 251 L C 2.757 179.636 176.870 0.014 0.000 1.073 251 L CA 1.821 56.689 54.840 0.046 0.000 0.745 251 L CB -0.120 41.902 42.059 -0.062 0.000 0.894 251 L HN 0.470 nan 8.230 nan 0.000 0.432 252 I N -1.233 119.333 120.570 -0.005 0.000 2.361 252 I HA -0.304 3.868 4.170 0.003 0.000 0.251 252 I C 2.590 178.687 176.117 -0.034 0.000 1.133 252 I CA 1.477 62.767 61.300 -0.016 0.000 1.413 252 I CB 0.091 38.085 38.000 -0.009 0.000 1.073 252 I HN 0.375 nan 8.210 nan 0.000 0.424 253 S N -0.158 115.502 115.700 -0.066 0.000 2.383 253 S HA -0.222 4.250 4.470 0.003 0.000 0.227 253 S C 2.062 176.565 174.600 -0.161 0.000 1.026 253 S CA 1.140 59.264 58.200 -0.127 0.000 0.981 253 S CB -0.397 62.686 63.200 -0.194 0.000 0.818 253 S HN 0.552 nan 8.310 nan 0.000 0.472 254 H N 0.929 119.961 119.070 -0.064 0.000 2.395 254 H HA 0.280 4.838 4.556 0.003 0.000 0.299 254 H C 1.494 176.744 175.328 -0.131 0.000 1.070 254 H CA 0.889 56.887 56.048 -0.084 0.000 1.356 254 H CB -0.801 28.915 29.762 -0.077 0.000 1.401 254 H HN 0.508 nan 8.280 nan 0.000 0.524 258 L N 1.331 122.351 121.223 -0.339 0.000 2.109 258 L HA 0.044 4.386 4.340 0.003 0.000 0.207 258 L C 2.470 178.998 176.870 -0.569 0.000 1.086 258 L CA 1.506 56.049 54.840 -0.496 0.000 0.760 258 L CB -0.442 41.139 42.059 -0.797 0.000 0.910 258 L HN 0.231 nan 8.230 nan 0.000 0.437 259 A N -0.192 122.271 122.820 -0.596 0.000 1.969 259 A HA -0.222 4.100 4.320 0.003 0.000 0.218 259 A C 2.233 179.740 177.584 -0.127 0.000 1.169 259 A CA 1.368 53.244 52.037 -0.268 0.000 0.635 259 A CB -0.361 18.551 19.000 -0.147 0.000 0.810 259 A HN 0.457 nan 8.150 nan 0.000 0.445 260 Q N -0.805 118.900 119.800 -0.158 0.000 2.119 260 Q HA -0.062 4.279 4.340 0.003 0.000 0.201 260 Q C 2.182 178.111 176.000 -0.119 0.000 0.972 260 Q CA 1.042 56.763 55.803 -0.137 0.000 0.847 260 Q CB -0.377 28.280 28.738 -0.136 0.000 0.903 260 Q HN 0.681 nan 8.270 nan 0.000 0.433 261 G N 1.043 109.782 108.800 -0.101 0.000 2.422 261 G HA2 -0.278 3.684 3.960 0.003 0.000 0.218 261 G HA3 -0.278 3.684 3.960 0.003 0.000 0.218 261 G C 1.395 176.271 174.900 -0.040 0.000 1.146 261 G CA 0.460 45.522 45.100 -0.065 0.000 0.769 261 G HN 0.173 nan 8.290 nan 0.000 0.547 262 R N -0.127 120.371 120.500 -0.004 0.000 2.236 262 R HA 0.151 4.492 4.340 0.003 0.000 0.208 262 R C 1.441 177.738 176.300 -0.006 0.000 1.036 262 R CA 0.924 57.053 56.100 0.050 0.000 1.001 262 R CB -0.139 30.261 30.300 0.166 0.000 0.896 262 R HN 0.415 nan 8.270 nan 0.000 0.464 263 L N -2.891 118.281 121.223 -0.085 0.000 3.428 263 L HA -0.340 4.002 4.340 0.003 0.000 0.267 263 L C 0.147 176.981 176.870 -0.059 0.000 4.235 263 L CA 1.470 56.191 54.840 -0.197 0.000 1.105 263 L CB -1.613 40.150 42.059 -0.495 0.000 3.396 263 L HN 0.354 nan 8.230 nan 0.000 0.847 264 A N -1.375 121.489 122.820 0.073 0.000 2.586 264 A HA 0.768 5.090 4.320 0.003 0.000 0.291 264 A C -2.899 174.782 177.584 0.162 0.000 1.062 264 A CA -0.596 51.530 52.037 0.147 0.000 0.666 264 A CB 1.229 20.367 19.000 0.230 0.000 1.281 264 A HN 0.015 nan 8.150 nan 0.000 0.421 265 P HA 0.550 nan 4.420 nan 0.000 0.282 265 P C -2.796 174.568 177.300 0.107 0.000 1.287 265 P CA -1.605 61.568 63.100 0.121 0.000 0.792 265 P CB -0.578 31.191 31.700 0.116 0.000 1.163 266 P HA 0.059 nan 4.420 nan 0.000 0.271 266 P C 0.692 178.005 177.300 0.020 0.000 1.226 266 P CA -0.104 63.026 63.100 0.049 0.000 0.765 266 P CB 0.222 31.953 31.700 0.050 0.000 0.835 267 L N 5.161 126.365 121.223 -0.031 0.000 1.976 267 L HA -0.181 4.160 4.340 0.003 0.000 0.209 267 L C 1.779 178.585 176.870 -0.107 0.000 1.071 267 L CA 2.100 56.884 54.840 -0.094 0.000 0.746 267 L CB -1.372 40.546 42.059 -0.235 0.000 0.890 267 L HN 0.224 nan 8.230 nan 0.000 0.432 268 L N -0.343 120.810 121.223 -0.118 0.000 2.079 268 L HA -0.197 4.145 4.340 0.003 0.000 0.210 268 L C 2.478 179.243 176.870 -0.175 0.000 1.081 268 L CA 1.472 56.224 54.840 -0.145 0.000 0.752 268 L CB -1.013 40.974 42.059 -0.119 0.000 0.896 268 L HN 0.279 nan 8.230 nan 0.000 0.433 269 E N -0.697 119.465 120.200 -0.064 0.000 2.150 269 E HA -0.178 4.174 4.350 0.003 0.000 0.193 269 E C 2.281 178.886 176.600 0.008 0.000 0.985 269 E CA 0.808 57.227 56.400 0.032 0.000 0.814 269 E CB -0.182 29.607 29.700 0.148 0.000 0.752 269 E HN 0.530 nan 8.360 nan 0.000 0.466 270 Q N -0.195 119.599 119.800 -0.009 0.000 2.083 270 Q HA -0.049 4.293 4.340 0.003 0.000 0.198 270 Q C 2.202 178.159 176.000 -0.072 0.000 0.969 270 Q CA 0.928 56.733 55.803 0.003 0.000 0.838 270 Q CB -0.074 28.690 28.738 0.044 0.000 0.900 270 Q HN 0.332 nan 8.270 nan 0.000 0.436 271 I N 0.417 120.913 120.570 -0.124 0.000 2.208 271 I HA -0.218 3.953 4.170 0.003 0.000 0.245 271 I C 2.287 178.249 176.117 -0.259 0.000 1.097 271 I CA 1.292 62.496 61.300 -0.161 0.000 1.363 271 I CB -0.535 37.366 38.000 -0.164 0.000 1.051 271 I HN 0.287 nan 8.210 nan 0.000 0.413 272 G N -0.342 108.184 108.800 -0.456 0.000 2.421 272 G HA2 -0.171 3.791 3.960 0.003 0.000 0.217 272 G HA3 -0.171 3.791 3.960 0.003 0.000 0.217 272 G C 1.720 176.452 174.900 -0.279 0.000 1.143 272 G CA 0.683 45.333 45.100 -0.750 0.000 0.784 272 G HN 0.350 nan 8.290 nan 0.000 0.541 273 S N 0.158 115.795 115.700 -0.105 0.000 2.423 273 S HA -0.083 4.388 4.470 0.003 0.000 0.231 273 S C 2.432 176.859 174.600 -0.288 0.000 1.014 273 S CA 0.882 59.005 58.200 -0.127 0.000 0.965 273 S CB -0.058 63.090 63.200 -0.087 0.000 0.785 273 S HN 0.196 nan 8.310 nan 0.000 0.495 274 V N 1.669 121.448 119.914 -0.225 0.000 2.407 274 V HA -0.142 3.980 4.120 0.003 0.000 0.248 274 V C 2.568 178.537 176.094 -0.208 0.000 1.055 274 V CA 1.909 64.083 62.300 -0.210 0.000 1.049 274 V CB -1.382 30.361 31.823 -0.133 0.000 0.662 274 V HN 0.587 nan 8.190 nan 0.000 0.455 275 G N -0.389 108.288 108.800 -0.204 0.000 2.394 275 G HA2 -0.145 3.817 3.960 0.003 0.000 0.215 275 G HA3 -0.145 3.817 3.960 0.003 0.000 0.215 275 G C 1.571 176.312 174.900 -0.265 0.000 1.165 275 G CA 0.649 45.637 45.100 -0.186 0.000 0.784 275 G HN 0.452 nan 8.290 nan 0.000 0.535 276 L N -0.011 120.969 121.223 -0.405 0.000 2.017 276 L HA 0.000 4.342 4.340 0.003 0.000 0.208 276 L C 2.833 179.238 176.870 -0.775 0.000 1.073 276 L CA 0.662 55.037 54.840 -0.774 0.000 0.745 276 L CB -0.427 40.916 42.059 -1.195 0.000 0.894 276 L HN 0.159 nan 8.230 nan 0.000 0.432 277 L N -0.095 120.769 121.223 -0.598 0.000 2.265 277 L HA -0.166 4.176 4.340 0.003 0.000 0.215 277 L C 1.516 178.412 176.870 0.044 0.000 1.117 277 L CA 0.670 55.364 54.840 -0.243 0.000 0.782 277 L CB -0.492 41.350 42.059 -0.362 0.000 0.914 277 L HN 0.367 nan 8.230 nan 0.000 0.441 278 N N -0.284 118.396 118.700 -0.034 0.000 2.336 278 N HA 0.139 4.880 4.740 0.003 0.000 0.189 278 N C 0.364 175.929 175.510 0.092 0.000 1.113 278 N CA 0.140 53.217 53.050 0.045 0.000 0.858 278 N CB -0.004 38.478 38.487 -0.008 0.000 0.970 278 N HN 0.208 nan 8.380 nan 0.000 0.471 279 L N 1.807 123.085 121.223 0.091 0.000 2.514 279 L HA -0.050 4.291 4.340 0.003 0.000 0.280 279 L C 0.855 177.899 176.870 0.290 0.000 1.223 279 L CA -0.146 54.744 54.840 0.083 0.000 0.864 279 L CB 0.240 42.207 42.059 -0.153 0.000 1.118 279 L HN 0.226 nan 8.230 nan 0.000 0.494 280 D N 1.018 121.550 120.400 0.220 0.000 2.384 280 D HA -0.034 4.608 4.640 0.003 0.000 0.244 280 D C 0.427 176.969 176.300 0.404 0.000 1.251 280 D CA -0.478 53.679 54.000 0.261 0.000 0.961 280 D CB 0.519 41.417 40.800 0.162 0.000 1.116 280 D HN 0.391 nan 8.370 nan 0.000 0.484 281 D N -0.617 119.977 120.400 0.323 0.000 2.149 281 D HA -0.186 4.455 4.640 0.003 0.000 0.198 281 D C 2.117 178.608 176.300 0.320 0.000 0.990 281 D CA 2.303 56.506 54.000 0.339 0.000 0.839 281 D CB -0.557 40.355 40.800 0.186 0.000 0.948 281 D HN 0.544 nan 8.370 nan 0.000 0.460 282 S N 0.196 116.035 115.700 0.232 0.000 2.374 282 S HA -0.253 4.219 4.470 0.003 0.000 0.227 282 S C 2.038 176.761 174.600 0.204 0.000 1.037 282 S CA 0.852 59.163 58.200 0.184 0.000 1.024 282 S CB -0.968 62.311 63.200 0.133 0.000 0.861 282 S HN 0.324 nan 8.310 nan 0.000 0.456 283 F N 2.100 122.094 119.950 0.073 0.000 2.102 283 F HA 0.015 4.544 4.527 0.003 0.000 0.298 283 F C 1.740 177.533 175.800 -0.012 0.000 1.105 283 F CA 1.207 59.189 58.000 -0.031 0.000 1.239 283 F CB -0.586 38.294 39.000 -0.200 0.000 0.991 283 F HN 0.176 nan 8.300 nan 0.000 0.474 284 F N 0.880 120.877 119.950 0.078 0.000 2.234 284 F HA -0.145 4.384 4.527 0.003 0.000 0.299 284 F C 2.218 177.977 175.800 -0.069 0.000 1.087 284 F CA 1.315 59.275 58.000 -0.065 0.000 1.340 284 F CB -0.876 38.174 39.000 0.083 0.000 1.031 284 F HN -0.025 nan 8.300 nan 0.000 0.500 285 D N -0.172 120.335 120.400 0.178 0.000 2.117 285 D HA -0.205 4.436 4.640 0.003 0.000 0.197 285 D C 2.032 178.371 176.300 0.065 0.000 0.987 285 D CA 1.100 55.172 54.000 0.120 0.000 0.829 285 D CB -0.760 40.118 40.800 0.130 0.000 0.961 285 D HN 0.246 nan 8.370 nan 0.000 0.460 286 F N 1.405 121.287 119.950 -0.114 0.000 2.102 286 F HA -0.204 4.324 4.527 0.003 0.000 0.298 286 F C 2.135 177.806 175.800 -0.215 0.000 1.105 286 F CA 1.057 58.960 58.000 -0.160 0.000 1.239 286 F CB -0.261 38.626 39.000 -0.187 0.000 0.991 286 F HN -0.212 nan 8.300 nan 0.000 0.474 287 V N 1.205 120.937 119.914 -0.303 0.000 2.261 287 V HA -0.298 3.824 4.120 0.003 0.000 0.246 287 V C 2.620 178.663 176.094 -0.085 0.000 1.047 287 V CA 2.332 64.440 62.300 -0.320 0.000 1.015 287 V CB -0.850 30.772 31.823 -0.336 0.000 0.642 287 V HN 0.336 nan 8.190 nan 0.000 0.446 288 R N -0.063 120.449 120.500 0.020 0.000 2.083 288 R HA -0.189 4.153 4.340 0.003 0.000 0.237 288 R C 2.300 178.703 176.300 0.171 0.000 1.137 288 R CA 1.802 57.999 56.100 0.163 0.000 0.951 288 R CB -0.180 30.191 30.300 0.118 0.000 0.851 288 R HN 0.487 nan 8.270 nan 0.000 0.434 289 E N -0.302 119.894 120.200 -0.006 0.000 2.152 289 E HA -0.097 4.255 4.350 0.003 0.000 0.192 289 E C 1.940 178.418 176.600 -0.203 0.000 0.983 289 E CA 1.349 57.706 56.400 -0.072 0.000 0.818 289 E CB -0.232 29.420 29.700 -0.080 0.000 0.758 289 E HN 0.384 nan 8.360 nan 0.000 0.467 290 T N 0.740 115.053 114.554 -0.401 0.000 2.674 290 T HA -0.151 4.201 4.350 0.003 0.000 0.265 290 T C 1.659 176.132 174.700 -0.379 0.000 1.039 290 T CA 1.214 62.986 62.100 -0.546 0.000 1.150 290 T CB -0.410 67.912 68.868 -0.910 0.000 0.864 290 T HN 0.188 nan 8.240 nan 0.000 0.427 291 Y N 1.105 121.334 120.300 -0.120 0.000 2.352 291 Y HA 0.050 4.601 4.550 0.003 0.000 0.292 291 Y C 2.611 178.410 175.900 -0.167 0.000 1.136 291 Y CA 0.485 58.575 58.100 -0.017 0.000 1.227 291 Y CB -0.318 38.280 38.460 0.230 0.000 0.991 291 Y HN 0.045 nan 8.280 nan 0.000 0.545 292 R N 0.687 121.111 120.500 -0.128 0.000 2.070 292 R HA -0.176 4.165 4.340 0.003 0.000 0.233 292 R C 1.906 177.990 176.300 -0.360 0.000 1.137 292 R CA 1.883 57.638 56.100 -0.574 0.000 0.945 292 R CB -0.141 29.983 30.300 -0.294 0.000 0.845 292 R HN 0.404 nan 8.270 nan 0.000 0.430 293 E N -0.326 119.743 120.200 -0.219 0.000 2.153 293 E HA -0.193 4.158 4.350 0.003 0.000 0.194 293 E C 2.210 178.720 176.600 -0.150 0.000 0.988 293 E CA 1.040 57.339 56.400 -0.168 0.000 0.811 293 E CB 0.029 29.640 29.700 -0.147 0.000 0.746 293 E HN 0.330 nan 8.360 nan 0.000 0.466 294 R N 0.354 120.767 120.500 -0.146 0.000 2.062 294 R HA -0.090 4.251 4.340 0.003 0.000 0.231 294 R C 2.501 178.751 176.300 -0.084 0.000 1.136 294 R CA 1.119 57.159 56.100 -0.101 0.000 0.948 294 R CB -0.433 29.824 30.300 -0.071 0.000 0.845 294 R HN 0.031 nan 8.270 nan 0.000 0.430 295 V N 1.629 121.479 119.914 -0.107 0.000 2.287 295 V HA -0.267 3.855 4.120 0.003 0.000 0.248 295 V C 2.045 178.077 176.094 -0.104 0.000 1.053 295 V CA 1.940 64.178 62.300 -0.103 0.000 1.027 295 V CB -0.500 31.208 31.823 -0.191 0.000 0.646 295 V HN 0.367 nan 8.190 nan 0.000 0.447 296 E N -0.115 119.994 120.200 -0.151 0.000 2.058 296 E HA -0.223 4.129 4.350 0.003 0.000 0.194 296 E C 2.274 178.836 176.600 -0.064 0.000 0.997 296 E CA 1.951 58.290 56.400 -0.101 0.000 0.801 296 E CB -0.371 29.258 29.700 -0.118 0.000 0.746 296 E HN 0.617 nan 8.360 nan 0.000 0.450 297 T N 0.750 115.261 114.554 -0.073 0.000 2.684 297 T HA -0.155 4.196 4.350 0.003 0.000 0.267 297 T C 2.098 176.767 174.700 -0.052 0.000 1.036 297 T CA 1.333 63.398 62.100 -0.058 0.000 1.148 297 T CB -0.282 68.548 68.868 -0.063 0.000 0.863 297 T HN -0.016 nan 8.240 nan 0.000 0.436 298 V N 1.475 121.354 119.914 -0.059 0.000 2.307 298 V HA -0.104 4.018 4.120 0.003 0.000 0.245 298 V C 2.522 178.553 176.094 -0.105 0.000 1.045 298 V CA 1.399 63.655 62.300 -0.073 0.000 1.024 298 V CB -0.765 31.021 31.823 -0.061 0.000 0.651 298 V HN 0.426 nan 8.190 nan 0.000 0.449 299 L N -0.400 120.786 121.223 -0.062 0.000 2.042 299 L HA -0.252 4.090 4.340 0.003 0.000 0.210 299 L C 2.608 179.467 176.870 -0.019 0.000 1.076 299 L CA 1.879 56.710 54.840 -0.016 0.000 0.749 299 L CB -0.670 41.468 42.059 0.132 0.000 0.893 299 L HN 0.304 nan 8.230 nan 0.000 0.432 300 K N -0.139 120.257 120.400 -0.007 0.000 2.057 300 K HA -0.205 4.116 4.320 0.003 0.000 0.207 300 K C 2.209 178.800 176.600 -0.015 0.000 1.049 300 K CA 1.214 57.502 56.287 0.002 0.000 0.931 300 K CB -0.087 32.408 32.500 -0.009 0.000 0.714 300 K HN -0.023 nan 8.250 nan 0.000 0.440 301 K N 1.280 121.667 120.400 -0.022 0.000 2.097 301 K HA -0.033 4.289 4.320 0.003 0.000 0.205 301 K C 1.838 178.487 176.600 0.082 0.000 1.050 301 K CA 1.032 57.347 56.287 0.047 0.000 0.938 301 K CB -0.131 32.390 32.500 0.036 0.000 0.718 301 K HN 0.041 nan 8.250 nan 0.000 0.442 302 L N 0.033 121.177 121.223 -0.130 0.000 2.056 302 L HA -0.145 4.197 4.340 0.003 0.000 0.207 302 L C 2.323 179.088 176.870 -0.174 0.000 1.078 302 L CA 1.310 55.980 54.840 -0.284 0.000 0.749 302 L CB -0.391 41.196 42.059 -0.786 0.000 0.901 302 L HN 0.209 nan 8.230 nan 0.000 0.433 303 E N 0.901 121.045 120.200 -0.093 0.000 2.072 303 E HA -0.248 4.103 4.350 0.003 0.000 0.191 303 E C 2.003 178.628 176.600 0.041 0.000 0.985 303 E CA 1.563 58.026 56.400 0.104 0.000 0.801 303 E CB -0.041 29.772 29.700 0.189 0.000 0.750 303 E HN 0.578 nan 8.360 nan 0.000 0.452 304 E N -1.111 119.078 120.200 -0.019 0.000 2.268 304 E HA -0.200 4.152 4.350 0.003 0.000 0.195 304 E C 0.863 177.342 176.600 -0.201 0.000 0.995 304 E CA 1.150 57.483 56.400 -0.112 0.000 0.836 304 E CB -0.406 29.201 29.700 -0.155 0.000 0.763 304 E HN 0.475 nan 8.360 nan 0.000 0.491 305 H N -0.206 118.845 119.070 -0.032 0.000 2.538 305 H HA 0.273 4.831 4.556 0.003 0.000 0.286 305 H C 1.013 176.326 175.328 -0.025 0.000 1.035 305 H CA 0.415 56.444 56.048 -0.032 0.000 1.169 305 H CB 0.884 30.618 29.762 -0.048 0.000 1.417 305 H HN 0.409 nan 8.280 nan 0.000 0.567 306 G N 0.271 109.107 108.800 0.060 0.000 2.184 306 G HA2 -0.328 3.634 3.960 0.003 0.000 0.264 306 G HA3 -0.328 3.634 3.960 0.003 0.000 0.264 306 G C 0.312 175.251 174.900 0.064 0.000 0.975 306 G CA 0.401 45.532 45.100 0.052 0.000 0.642 306 G HN 0.370 nan 8.290 nan 0.000 0.536 307 L N 0.414 121.679 121.223 0.070 0.000 2.410 307 L HA 0.729 5.071 4.340 0.003 0.000 0.273 307 L C 1.674 178.688 176.870 0.240 0.000 1.144 307 L CA 1.538 56.428 54.840 0.083 0.000 0.863 307 L CB 0.078 42.126 42.059 -0.017 0.000 1.140 307 L HN 0.960 nan 8.230 nan 0.000 0.463 308 K N 3.377 123.893 120.400 0.193 0.000 2.108 308 K HA 0.386 4.707 4.320 0.003 0.000 0.204 308 K C 1.553 178.232 176.600 0.131 0.000 1.036 308 K CA 0.799 57.183 56.287 0.162 0.000 0.965 308 K CB -0.721 31.812 32.500 0.054 0.000 0.804 308 K HN 1.081 nan 8.250 nan 0.000 0.454 309 R N 1.422 121.990 120.500 0.114 0.000 2.429 309 R HA 0.563 4.905 4.340 0.003 0.000 0.302 309 R C -0.152 176.254 176.300 0.176 0.000 1.268 309 R CA -0.002 56.129 56.100 0.052 0.000 1.090 309 R CB -1.742 28.571 30.300 0.021 0.000 1.102 309 R HN 0.848 nan 8.270 nan 0.000 0.522 310 F N -1.383 118.572 119.950 0.007 0.000 2.645 310 F HA 0.748 5.277 4.527 0.003 0.000 0.310 310 F C 0.089 175.914 175.800 0.041 0.000 1.102 310 F CA -1.008 57.009 58.000 0.028 0.000 0.952 310 F CB 1.414 40.426 39.000 0.020 0.000 1.326 310 F HN 0.251 nan 8.300 nan 0.000 0.456 311 T N -1.127 113.542 114.554 0.192 0.000 2.867 311 T HA 0.732 5.083 4.350 0.003 0.000 0.282 311 T C -0.565 174.225 174.700 0.149 0.000 1.000 311 T CA -0.431 61.734 62.100 0.109 0.000 1.042 311 T CB 1.308 70.305 68.868 0.216 0.000 0.973 311 T HN 1.110 nan 8.240 nan 0.000 0.465 312 K N 3.520 123.959 120.400 0.065 0.000 2.268 312 K HA 0.579 4.901 4.320 0.003 0.000 0.276 312 K C -2.392 174.266 176.600 0.096 0.000 1.080 312 K CA -1.964 54.378 56.287 0.091 0.000 0.910 312 K CB -0.436 32.087 32.500 0.038 0.000 1.163 312 K HN 0.778 nan 8.250 nan 0.000 0.465 313 P HA 0.261 nan 4.420 nan 0.000 0.278 313 P C -0.037 177.372 177.300 0.182 0.000 1.238 313 P CA -0.220 62.951 63.100 0.119 0.000 0.794 313 P CB 1.745 33.520 31.700 0.124 0.000 0.955 314 S N 0.213 115.969 115.700 0.094 0.000 2.503 314 S HA 0.294 4.765 4.470 0.003 0.000 0.217 314 S C 0.973 175.538 174.600 -0.057 0.000 0.999 314 S CA 0.540 58.792 58.200 0.086 0.000 0.914 314 S CB 0.046 63.253 63.200 0.012 0.000 0.782 314 S HN 0.842 nan 8.310 nan 0.000 0.520 315 G N -0.441 108.260 108.800 -0.165 0.000 2.649 315 G HA2 0.666 4.628 3.960 0.003 0.000 0.290 315 G HA3 0.666 4.628 3.960 0.003 0.000 0.290 315 G C -0.699 173.958 174.900 -0.405 0.000 1.426 315 G CA -0.036 44.767 45.100 -0.495 0.000 0.794 315 G HN 0.754 nan 8.290 nan 0.000 0.483 316 A N -1.447 121.035 122.820 -0.564 0.000 6.506 316 A HA 0.234 4.556 4.320 0.003 0.000 0.234 316 A C 0.186 177.467 177.584 -0.504 0.000 2.257 316 A CA 1.290 52.873 52.037 -0.756 0.000 0.695 316 A CB -1.405 17.006 19.000 -0.981 0.000 0.929 316 A HN 2.349 nan 8.150 nan 0.000 0.364 317 F N -2.947 116.617 119.950 -0.642 0.000 2.850 317 F HA 0.702 5.231 4.527 0.003 0.000 0.329 317 F C -0.336 175.119 175.800 -0.576 0.000 1.182 317 F CA -0.957 56.743 58.000 -0.499 0.000 1.270 317 F CB -0.538 38.102 39.000 -0.600 0.000 0.979 317 F HN 0.439 nan 8.300 nan 0.000 0.506 318 Y N 1.082 121.337 120.300 -0.076 0.000 2.468 318 Y HA 0.726 5.277 4.550 0.003 0.000 0.342 318 Y C -0.141 175.735 175.900 -0.041 0.000 1.021 318 Y CA -1.961 56.103 58.100 -0.061 0.000 1.079 318 Y CB 1.921 40.257 38.460 -0.208 0.000 1.226 318 Y HN -0.013 nan 8.280 nan 0.000 0.460 319 I N 2.246 122.906 120.570 0.149 0.000 2.447 319 I HA 0.318 4.490 4.170 0.003 0.000 0.287 319 I C -0.800 175.362 176.117 0.075 0.000 1.023 319 I CA -0.545 60.819 61.300 0.107 0.000 1.083 319 I CB 2.032 40.088 38.000 0.094 0.000 1.245 319 I HN 0.570 nan 8.210 nan 0.000 0.434 320 T N 5.308 119.908 114.554 0.076 0.000 2.795 320 T HA 0.756 5.107 4.350 0.003 0.000 0.282 320 T C -0.226 174.566 174.700 0.154 0.000 0.980 320 T CA -0.490 61.645 62.100 0.058 0.000 1.012 320 T CB 1.539 70.410 68.868 0.005 0.000 0.936 320 T HN 0.698 nan 8.240 nan 0.000 0.457 321 A N 2.609 125.502 122.820 0.122 0.000 2.515 321 A HA 0.689 5.011 4.320 0.003 0.000 0.298 321 A C -0.783 176.857 177.584 0.093 0.000 1.059 321 A CA -0.857 51.271 52.037 0.151 0.000 0.698 321 A CB 1.450 20.517 19.000 0.112 0.000 1.289 321 A HN 0.777 nan 8.150 nan 0.000 0.404 322 E N 2.193 122.448 120.200 0.092 0.000 2.174 322 E HA 0.565 4.917 4.350 0.003 0.000 0.282 322 E C -1.159 175.436 176.600 -0.008 0.000 0.992 322 E CA -0.374 56.048 56.400 0.036 0.000 0.803 322 E CB 0.665 30.384 29.700 0.033 0.000 1.090 322 E HN 0.603 nan 8.360 nan 0.000 0.396 323 L N 5.475 126.656 121.223 -0.069 0.000 2.375 323 L HA 0.429 4.770 4.340 0.003 0.000 0.268 323 L C -1.797 174.988 176.870 -0.141 0.000 1.058 323 L CA -2.147 52.602 54.840 -0.152 0.000 0.803 323 L CB 1.346 43.232 42.059 -0.289 0.000 1.212 323 L HN 0.567 nan 8.230 nan 0.000 0.451 324 P HA 0.140 nan 4.420 nan 0.000 0.212 324 P C -0.948 176.273 177.300 -0.132 0.000 1.816 324 P CA 0.008 63.038 63.100 -0.116 0.000 0.944 324 P CB -0.015 31.628 31.700 -0.095 0.000 1.896 325 V N -2.576 117.251 119.914 -0.144 0.000 3.078 325 V HA 0.414 4.536 4.120 0.003 0.000 0.311 325 V C 1.481 177.543 176.094 -0.053 0.000 1.138 325 V CA -0.950 61.285 62.300 -0.108 0.000 1.007 325 V CB 2.338 34.007 31.823 -0.257 0.000 1.045 325 V HN 0.083 nan 8.190 nan 0.000 0.432 326 E N 0.903 121.105 120.200 0.004 0.000 2.028 326 E HA -0.139 4.213 4.350 0.003 0.000 0.191 326 E C 0.113 176.714 176.600 0.002 0.000 0.988 326 E CA 1.636 58.040 56.400 0.006 0.000 0.799 326 E CB 0.236 29.951 29.700 0.025 0.000 0.755 326 E HN 0.907 nan 8.360 nan 0.000 0.447 327 D N -1.640 118.772 120.400 0.021 0.000 2.549 327 D HA 0.298 4.940 4.640 0.003 0.000 0.251 327 D C 0.016 176.319 176.300 0.005 0.000 1.153 327 D CA 0.083 54.094 54.000 0.018 0.000 0.861 327 D CB 1.678 42.503 40.800 0.043 0.000 1.207 327 D HN 0.131 nan 8.370 nan 0.000 0.543 328 A N 3.680 126.499 122.820 -0.003 0.000 1.930 328 A HA -0.124 4.197 4.320 0.003 0.000 0.217 328 A C 1.793 179.416 177.584 0.066 0.000 1.175 328 A CA 1.389 53.439 52.037 0.021 0.000 0.627 328 A CB -0.432 18.583 19.000 0.024 0.000 0.815 328 A HN 0.710 nan 8.150 nan 0.000 0.443 329 E N 0.307 120.533 120.200 0.044 0.000 2.153 329 E HA -0.248 4.104 4.350 0.003 0.000 0.194 329 E C 1.984 178.592 176.600 0.013 0.000 0.988 329 E CA 1.360 57.779 56.400 0.031 0.000 0.811 329 E CB -0.137 29.581 29.700 0.031 0.000 0.746 329 E HN 0.879 nan 8.360 nan 0.000 0.466 330 E N -0.202 120.024 120.200 0.042 0.000 2.107 330 E HA -0.203 4.148 4.350 0.003 0.000 0.191 330 E C 2.031 178.693 176.600 0.105 0.000 0.982 330 E CA 0.844 57.289 56.400 0.075 0.000 0.809 330 E CB -0.586 29.197 29.700 0.138 0.000 0.756 330 E HN 0.335 nan 8.360 nan 0.000 0.459 331 F N 2.242 122.082 119.950 -0.184 0.000 2.186 331 F HA 0.038 4.566 4.527 0.002 0.000 0.299 331 F C 2.289 178.017 175.800 -0.121 0.000 1.090 331 F CA 1.336 59.069 58.000 -0.444 0.000 1.307 331 F CB -0.373 38.111 39.000 -0.860 0.000 1.019 331 F HN 0.108 nan 8.300 nan 0.000 0.489 332 A N 0.850 123.528 122.820 -0.237 0.000 1.902 332 A HA -0.134 4.188 4.320 0.003 0.000 0.217 332 A C 2.435 179.889 177.584 -0.217 0.000 1.181 332 A CA 2.448 54.324 52.037 -0.269 0.000 0.623 332 A CB -1.390 17.562 19.000 -0.080 0.000 0.818 332 A HN 0.451 nan 8.150 nan 0.000 0.443 333 R N -1.295 119.103 120.500 -0.169 0.000 2.075 333 R HA -0.053 4.288 4.340 0.003 0.000 0.232 333 R C 1.267 177.469 176.300 -0.163 0.000 1.126 333 R CA 1.238 57.176 56.100 -0.269 0.000 0.963 333 R CB -1.568 28.453 30.300 -0.464 0.000 0.858 333 R HN 0.791 nan 8.270 nan 0.000 0.435 337 T N -2.698 111.780 114.554 -0.126 0.000 2.706 337 T HA -0.036 4.315 4.350 0.003 0.000 0.255 337 T C 0.769 175.336 174.700 -0.221 0.000 1.048 337 T CA 1.627 63.665 62.100 -0.102 0.000 1.153 337 T CB -0.312 68.534 68.868 -0.036 0.000 0.865 337 T HN 0.091 nan 8.240 nan 0.000 0.414 338 D N 0.653 120.778 120.400 -0.459 0.000 2.491 338 D HA 0.447 5.089 4.640 0.003 0.000 0.228 338 D C -0.887 174.987 176.300 -0.710 0.000 1.183 338 D CA -0.249 53.413 54.000 -0.564 0.000 0.827 338 D CB -0.129 40.306 40.800 -0.608 0.000 0.989 338 D HN 0.415 nan 8.370 nan 0.000 0.494 339 F N 0.089 119.601 119.950 -0.730 0.000 2.650 339 F HA 0.557 5.085 4.527 0.003 0.000 0.310 339 F C -0.782 174.848 175.800 -0.285 0.000 1.112 339 F CA -0.335 57.323 58.000 -0.571 0.000 0.986 339 F CB 0.652 39.143 39.000 -0.847 0.000 1.285 339 F HN -0.044 nan 8.300 nan 0.000 0.440 343 G N 0.889 109.627 108.800 -0.104 0.000 2.179 343 G HA2 -0.312 3.650 3.960 0.003 0.000 0.257 343 G HA3 -0.312 3.650 3.960 0.003 0.000 0.257 343 G C 0.034 174.882 174.900 -0.087 0.000 1.010 343 G CA 0.536 45.578 45.100 -0.097 0.000 0.736 343 G HN 0.391 nan 8.290 nan 0.000 0.513 344 E N -0.944 119.212 120.200 -0.073 0.000 2.312 344 E HA 0.723 5.074 4.350 0.003 0.000 0.267 344 E C -0.461 176.149 176.600 0.017 0.000 0.894 344 E CA -0.463 55.923 56.400 -0.025 0.000 0.773 344 E CB 2.381 32.136 29.700 0.091 0.000 1.241 344 E HN 0.131 nan 8.360 nan 0.000 0.432 345 T N 0.338 114.920 114.554 0.047 0.000 2.843 345 T HA 0.547 4.899 4.350 0.003 0.000 0.302 345 T C -1.041 173.727 174.700 0.114 0.000 1.232 345 T CA -0.405 61.761 62.100 0.111 0.000 1.009 345 T CB 1.693 70.581 68.868 0.033 0.000 1.254 345 T HN 0.614 nan 8.240 nan 0.000 0.504 349 A N 2.293 125.174 122.820 0.101 0.000 2.252 349 A HA 0.931 5.253 4.320 0.003 0.000 0.309 349 A C -2.584 175.074 177.584 0.125 0.000 1.285 349 A CA -1.812 50.304 52.037 0.132 0.000 0.900 349 A CB 0.373 19.487 19.000 0.189 0.000 1.157 349 A HN 0.767 nan 8.150 nan 0.000 0.536 350 P HA 0.047 nan 4.420 nan 0.000 0.268 350 P C 0.646 178.061 177.300 0.191 0.000 1.205 350 P CA -0.204 62.968 63.100 0.120 0.000 0.771 350 P CB 0.653 32.410 31.700 0.095 0.000 0.858 351 L N 4.054 125.374 121.223 0.162 0.000 2.554 351 L HA 0.008 4.350 4.340 0.003 0.000 0.226 351 L C 2.257 179.358 176.870 0.384 0.000 1.137 351 L CA 1.022 56.003 54.840 0.235 0.000 0.863 351 L CB -0.772 41.370 42.059 0.137 0.000 0.985 351 L HN 0.263 nan 8.230 nan 0.000 0.451 352 R N -1.248 119.396 120.500 0.240 0.000 2.127 352 R HA -0.079 4.263 4.340 0.003 0.000 0.238 352 R C 1.885 178.292 176.300 0.178 0.000 1.134 352 R CA 1.379 57.594 56.100 0.191 0.000 0.975 352 R CB -1.333 29.015 30.300 0.080 0.000 0.865 352 R HN 0.312 nan 8.270 nan 0.000 0.447 353 G N -0.074 108.795 108.800 0.115 0.000 2.598 353 G HA2 -0.130 3.831 3.960 0.003 0.000 0.215 353 G HA3 -0.130 3.831 3.960 0.003 0.000 0.215 353 G C 0.596 175.286 174.900 -0.349 0.000 1.131 353 G CA -0.012 45.019 45.100 -0.115 0.000 0.785 353 G HN 0.327 nan 8.290 nan 0.000 0.539 354 F N -0.854 118.975 119.950 -0.201 0.000 2.765 354 F HA 0.401 4.929 4.527 0.003 0.000 0.302 354 F C 0.106 175.518 175.800 -0.646 0.000 1.111 354 F CA -0.640 57.061 58.000 -0.497 0.000 1.359 354 F CB 0.124 38.869 39.000 -0.425 0.000 1.097 354 F HN -0.045 nan 8.300 nan 0.000 0.577 355 Y N -0.669 119.551 120.300 -0.134 0.000 2.468 355 Y HA 0.398 4.949 4.550 0.003 0.000 0.342 355 Y C 0.733 176.651 175.900 0.030 0.000 1.021 355 Y CA -0.940 57.154 58.100 -0.010 0.000 1.079 355 Y CB 1.526 40.024 38.460 0.064 0.000 1.226 355 Y HN -0.214 nan 8.280 nan 0.000 0.460 356 L N 0.315 121.737 121.223 0.333 0.000 2.221 356 L HA 0.079 4.420 4.340 0.003 0.000 0.202 356 L C 0.520 177.512 176.870 0.203 0.000 1.074 356 L CA 0.475 55.472 54.840 0.262 0.000 0.795 356 L CB 0.022 42.260 42.059 0.299 0.000 0.960 356 L HN 0.608 nan 8.230 nan 0.000 0.458 357 T N 3.356 118.049 114.554 0.233 0.000 2.831 357 T HA 0.068 4.420 4.350 0.003 0.000 0.291 357 T C -2.232 172.536 174.700 0.115 0.000 0.981 357 T CA -0.753 61.447 62.100 0.167 0.000 1.174 357 T CB 0.231 69.209 68.868 0.184 0.000 0.929 357 T HN 0.048 nan 8.240 nan 0.000 0.532 358 P HA 0.265 nan 4.420 nan 0.000 0.271 358 P C 0.996 178.304 177.300 0.013 0.000 1.216 358 P CA 0.149 63.276 63.100 0.045 0.000 0.771 358 P CB 0.820 32.545 31.700 0.042 0.000 0.864 359 G N 2.018 110.810 108.800 -0.014 0.000 2.258 359 G HA2 -0.204 3.758 3.960 0.003 0.000 0.233 359 G HA3 -0.204 3.758 3.960 0.003 0.000 0.233 359 G C -0.012 174.819 174.900 -0.116 0.000 1.006 359 G CA -0.250 44.824 45.100 -0.044 0.000 0.620 359 G HN 0.481 nan 8.290 nan 0.000 0.511 360 L N 0.745 121.849 121.223 -0.199 0.000 2.397 360 L HA 0.505 4.846 4.340 0.003 0.000 0.271 360 L C 1.721 178.182 176.870 -0.682 0.000 1.148 360 L CA 0.688 55.231 54.840 -0.495 0.000 0.825 360 L CB 0.993 42.632 42.059 -0.700 0.000 1.117 360 L HN 1.158 nan 8.230 nan 0.000 0.456 361 G N 1.141 109.561 108.800 -0.633 0.000 2.160 361 G HA2 -0.310 3.652 3.960 0.003 0.000 0.244 361 G HA3 -0.310 3.652 3.960 0.003 0.000 0.244 361 G C 0.919 175.772 174.900 -0.078 0.000 1.022 361 G CA 0.628 45.563 45.100 -0.275 0.000 0.741 361 G HN 0.540 nan 8.290 nan 0.000 0.508 362 K N -0.411 119.933 120.400 -0.093 0.000 2.097 362 K HA 0.204 4.526 4.320 0.003 0.000 0.205 362 K C 2.610 179.198 176.600 -0.021 0.000 1.050 362 K CA 2.434 58.697 56.287 -0.039 0.000 0.938 362 K CB -0.281 32.193 32.500 -0.043 0.000 0.718 362 K HN 1.424 nan 8.250 nan 0.000 0.442 363 K N 0.867 121.248 120.400 -0.030 0.000 2.399 363 K HA 0.286 4.607 4.320 0.003 0.000 0.204 363 K C 0.164 176.752 176.600 -0.020 0.000 1.023 363 K CA 0.181 56.447 56.287 -0.034 0.000 1.127 363 K CB 0.025 32.497 32.500 -0.046 0.000 0.856 363 K HN 0.690 nan 8.250 nan 0.000 0.514 364 E N 0.023 120.231 120.200 0.014 0.000 2.212 364 E HA 0.711 5.062 4.350 0.003 0.000 0.270 364 E C -0.258 176.374 176.600 0.053 0.000 0.956 364 E CA -1.017 55.411 56.400 0.047 0.000 0.825 364 E CB 1.961 31.721 29.700 0.101 0.000 1.167 364 E HN 0.531 nan 8.360 nan 0.000 0.400 365 I N -2.049 118.546 120.570 0.042 0.000 3.074 365 I HA 0.622 4.794 4.170 0.003 0.000 0.310 365 I C -0.968 175.144 176.117 -0.009 0.000 1.153 365 I CA -1.199 60.121 61.300 0.033 0.000 0.993 365 I CB 2.353 40.386 38.000 0.054 0.000 1.237 365 I HN 0.315 nan 8.210 nan 0.000 0.443 366 R N 3.357 123.836 120.500 -0.034 0.000 2.562 366 R HA 0.737 5.078 4.340 0.003 0.000 0.298 366 R C -1.748 174.575 176.300 0.038 0.000 0.961 366 R CA -0.704 55.352 56.100 -0.075 0.000 0.881 366 R CB 1.860 31.996 30.300 -0.272 0.000 1.159 366 R HN 0.770 nan 8.270 nan 0.000 0.450 367 I N 3.183 123.802 120.570 0.081 0.000 2.389 367 I HA 0.369 4.541 4.170 0.003 0.000 0.288 367 I C -0.235 176.001 176.117 0.198 0.000 0.999 367 I CA -0.787 60.581 61.300 0.112 0.000 1.129 367 I CB 2.030 40.064 38.000 0.058 0.000 1.288 367 I HN 0.640 nan 8.210 nan 0.000 0.444 368 A N 5.422 128.378 122.820 0.227 0.000 2.260 368 A HA 0.380 4.701 4.320 0.003 0.000 0.308 368 A C -0.151 177.492 177.584 0.098 0.000 1.254 368 A CA -0.379 51.805 52.037 0.246 0.000 0.874 368 A CB 0.282 19.484 19.000 0.336 0.000 1.153 368 A HN 0.868 nan 8.150 nan 0.000 0.527 369 C N 3.712 123.045 119.300 0.055 0.000 2.861 369 C HA 0.322 4.783 4.460 0.003 0.000 0.542 369 C C 1.381 176.330 174.990 -0.069 0.000 1.074 369 C CA -0.093 58.936 59.018 0.019 0.000 1.232 369 C CB -2.145 25.642 27.740 0.078 0.000 1.433 369 C HN 0.722 nan 8.230 nan 0.000 0.606 370 V N -0.507 119.350 119.914 -0.095 0.000 2.933 370 V HA 0.500 4.622 4.120 0.003 0.000 0.374 370 V C -0.206 175.847 176.094 -0.067 0.000 1.321 370 V CA 0.143 62.357 62.300 -0.142 0.000 1.290 370 V CB -0.871 30.850 31.823 -0.171 0.000 1.346 370 V HN 0.556 nan 8.190 nan 0.000 0.560 371 L N 0.765 121.955 121.223 -0.055 0.000 2.376 371 L HA 0.595 4.937 4.340 0.003 0.000 0.258 371 L C 0.142 176.971 176.870 -0.068 0.000 1.013 371 L CA -0.961 53.859 54.840 -0.033 0.000 0.822 371 L CB 2.643 44.711 42.059 0.015 0.000 1.388 371 L HN 0.446 nan 8.230 nan 0.000 0.413 372 E N 1.471 121.636 120.200 -0.059 0.000 2.415 372 E HA -0.007 4.345 4.350 0.003 0.000 0.262 372 E C 0.515 177.072 176.600 -0.072 0.000 1.038 372 E CA -0.355 55.999 56.400 -0.078 0.000 0.921 372 E CB 0.814 30.483 29.700 -0.052 0.000 0.950 372 E HN 0.653 nan 8.360 nan 0.000 0.438 373 K N 2.870 123.216 120.400 -0.089 0.000 2.107 373 K HA -0.295 4.026 4.320 0.003 0.000 0.211 373 K C 0.766 177.329 176.600 -0.062 0.000 1.049 373 K CA 2.139 58.378 56.287 -0.079 0.000 0.927 373 K CB -0.236 32.211 32.500 -0.087 0.000 0.714 373 K HN 0.449 nan 8.250 nan 0.000 0.452 374 D N 1.101 121.471 120.400 -0.050 0.000 2.117 374 D HA -0.045 4.597 4.640 0.003 0.000 0.198 374 D C 2.104 178.375 176.300 -0.048 0.000 0.982 374 D CA 0.965 54.941 54.000 -0.041 0.000 0.828 374 D CB -0.161 40.623 40.800 -0.027 0.000 0.967 374 D HN 0.196 nan 8.370 nan 0.000 0.464 375 L N 0.108 121.306 121.223 -0.042 0.000 2.056 375 L HA -0.100 4.242 4.340 0.003 0.000 0.207 375 L C 2.445 179.238 176.870 -0.129 0.000 1.078 375 L CA 0.594 55.402 54.840 -0.054 0.000 0.749 375 L CB -0.327 41.744 42.059 0.019 0.000 0.901 375 L HN 0.066 nan 8.230 nan 0.000 0.433 376 L N -0.943 120.228 121.223 -0.088 0.000 2.042 376 L HA -0.252 4.089 4.340 0.003 0.000 0.210 376 L C 2.870 179.675 176.870 -0.107 0.000 1.076 376 L CA 1.441 56.226 54.840 -0.092 0.000 0.749 376 L CB -0.509 41.511 42.059 -0.064 0.000 0.893 376 L HN 0.262 nan 8.230 nan 0.000 0.432 377 S N -0.311 115.338 115.700 -0.086 0.000 2.368 377 S HA -0.247 4.224 4.470 0.003 0.000 0.225 377 S C 2.138 176.689 174.600 -0.083 0.000 1.030 377 S CA 1.576 59.736 58.200 -0.066 0.000 0.999 377 S CB -0.097 63.077 63.200 -0.043 0.000 0.844 377 S HN 0.267 nan 8.310 nan 0.000 0.459 378 R N 1.317 121.743 120.500 -0.122 0.000 2.075 378 R HA 0.173 4.514 4.340 0.003 0.000 0.232 378 R C 2.291 178.439 176.300 -0.253 0.000 1.126 378 R CA 1.731 57.740 56.100 -0.152 0.000 0.963 378 R CB -1.152 29.052 30.300 -0.158 0.000 0.858 378 R HN 0.392 nan 8.270 nan 0.000 0.435 379 A N 0.707 123.284 122.820 -0.405 0.000 1.940 379 A HA -0.120 4.201 4.320 0.003 0.000 0.219 379 A C 2.005 179.491 177.584 -0.164 0.000 1.176 379 A CA 1.556 53.351 52.037 -0.405 0.000 0.631 379 A CB -0.517 18.287 19.000 -0.327 0.000 0.814 379 A HN 0.307 nan 8.150 nan 0.000 0.446 380 I N 0.240 120.728 120.570 -0.136 0.000 2.353 380 I HA -0.139 4.032 4.170 0.003 0.000 0.248 380 I C 1.657 177.671 176.117 -0.172 0.000 1.119 380 I CA 1.174 62.399 61.300 -0.125 0.000 1.417 380 I CB -1.436 36.499 38.000 -0.107 0.000 1.078 380 I HN 0.291 nan 8.210 nan 0.000 0.421 381 D N 1.025 121.350 120.400 -0.125 0.000 2.123 381 D HA -0.128 4.514 4.640 0.003 0.000 0.196 381 D C 2.425 178.685 176.300 -0.066 0.000 0.992 381 D CA 1.095 55.029 54.000 -0.109 0.000 0.833 381 D CB -0.040 40.763 40.800 0.005 0.000 0.954 381 D HN 0.139 nan 8.370 nan 0.000 0.455 382 V N 1.128 121.039 119.914 -0.005 0.000 2.343 382 V HA -0.150 3.971 4.120 0.003 0.000 0.247 382 V C 1.491 177.646 176.094 0.102 0.000 1.051 382 V CA 0.540 62.910 62.300 0.118 0.000 1.036 382 V CB -0.379 31.535 31.823 0.152 0.000 0.654 382 V HN 0.104 nan 8.190 nan 0.000 0.451 386 G N 0.729 109.390 108.800 -0.232 0.000 2.408 386 G HA2 0.119 4.080 3.960 0.003 0.000 0.217 386 G HA3 0.119 4.080 3.960 0.003 0.000 0.217 386 G C 1.744 176.613 174.900 -0.053 0.000 1.150 386 G CA 1.475 46.135 45.100 -0.732 0.000 0.776 386 G HN 0.681 nan 8.290 nan 0.000 0.542 387 L N 1.284 122.521 121.223 0.025 0.000 2.093 387 L HA 0.261 4.603 4.340 0.003 0.000 0.208 387 L C 2.216 179.031 176.870 -0.092 0.000 1.085 387 L CA 1.836 56.599 54.840 -0.128 0.000 0.755 387 L CB -0.916 40.975 42.059 -0.280 0.000 0.904 387 L HN 0.307 nan 8.230 nan 0.000 0.435 390 F N 0.000 119.751 119.950 -0.331 0.000 2.286 390 F HA 0.000 4.529 4.527 0.003 0.000 0.279 390 F CA 0.000 57.610 58.000 -0.651 0.000 1.383 390 F CB 0.000 38.566 39.000 -0.723 0.000 1.145 390 F HN 0.000 nan 8.300 nan 0.000 0.574